----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.093580260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048710740000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): *1 O 0.27296069339781 0.42891992510912 0.53334264952403 15.999 2 O 0.27296069339781 0.07108007489088 0.46665735047597 15.999 3 O 0.72703930660219 0.92891992510912 0.96665735047597 15.999 4 O 0.72703930660219 0.57108007489088 0.03334264952403 15.999 5 O 0.72703930660219 0.57108007489088 0.46665735047597 15.999 6 O 0.72703930660219 0.92891992510912 0.53334264952403 15.999 7 O 0.27296069339781 0.07108007489088 0.03334264952403 15.999 8 O 0.27296069339781 0.42891992510912 0.96665735047597 15.999 *9 O 0.05385683199893 0.73754336453997 0.61981633466102 15.999 10 O 0.05385683199893 0.73754336453997 0.88018366533898 15.999 11 O 0.94614316800107 0.23754336453997 0.88018366533898 15.999 12 O 0.94614316800107 0.26245663546003 0.11981633466102 15.999 13 O 0.94614316800107 0.26245663546003 0.38018366533898 15.999 14 O 0.94614316800107 0.23754336453997 0.61981633466102 15.999 15 O 0.05385683199893 0.76245663546003 0.11981633466102 15.999 16 O 0.05385683199893 0.76245663546003 0.38018366533898 15.999 *17 Si 0.11164793950814 0.25000000000000 0.00000000000000 28.085 18 Si 0.88835206049186 0.75000000000000 0.00000000000000 28.085 19 Si 0.88835206049186 0.75000000000000 0.50000000000000 28.085 20 Si 0.11164793950814 0.25000000000000 0.50000000000000 28.085 *21 Se 0.58134675394551 0.88648417353445 0.25000000000000 78.960 22 Se 0.58134675394551 0.61351582646555 0.75000000000000 78.960 23 Se 0.41865324605449 0.38648417353445 0.25000000000000 78.960 24 Se 0.41865324605449 0.11351582646555 0.75000000000000 78.960 *25 Sm 0.60706636367251 0.25000000000000 0.00000000000000 150.360 26 Sm 0.60706636367251 0.25000000000000 0.50000000000000 150.360 27 Sm 0.39293363632749 0.75000000000000 0.00000000000000 150.360 28 Sm 0.39293363632749 0.75000000000000 0.50000000000000 150.360 *29 Sm 0.86988363104420 0.53244321757298 0.25000000000000 150.360 30 Sm 0.86988363104420 0.96755678242702 0.75000000000000 150.360 31 Sm 0.13011636895580 0.03244321757298 0.25000000000000 150.360 32 Sm 0.13011636895580 0.46755678242702 0.75000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.093580260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048710740000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): *1 O 0.27296069339781 0.42891992510912 0.53334264952403 15.999 > 1 2 O 0.27296069339781 0.07108007489088 0.46665735047597 15.999 > 2 3 O 0.72703930660219 0.92891992510912 0.96665735047597 15.999 > 3 4 O 0.72703930660219 0.57108007489088 0.03334264952403 15.999 > 4 5 O 0.72703930660219 0.57108007489088 0.46665735047597 15.999 > 5 6 O 0.72703930660219 0.92891992510912 0.53334264952403 15.999 > 6 7 O 0.27296069339781 0.07108007489088 0.03334264952403 15.999 > 7 8 O 0.27296069339781 0.42891992510912 0.96665735047597 15.999 > 8 *9 O 0.05385683199893 0.73754336453997 0.61981633466102 15.999 > 9 10 O 0.05385683199893 0.73754336453997 0.88018366533898 15.999 > 10 11 O 0.94614316800107 0.23754336453997 0.88018366533898 15.999 > 11 12 O 0.94614316800107 0.26245663546003 0.11981633466102 15.999 > 12 13 O 0.94614316800107 0.26245663546003 0.38018366533898 15.999 > 13 14 O 0.94614316800107 0.23754336453997 0.61981633466102 15.999 > 14 15 O 0.05385683199893 0.76245663546003 0.11981633466102 15.999 > 15 16 O 0.05385683199893 0.76245663546003 0.38018366533898 15.999 > 16 *17 Si 0.11164793950814 0.25000000000000 0.00000000000000 28.085 > 17 18 Si 0.88835206049186 0.75000000000000 0.00000000000000 28.085 > 18 19 Si 0.88835206049186 0.75000000000000 0.50000000000000 28.085 > 19 20 Si 0.11164793950814 0.25000000000000 0.50000000000000 28.085 > 20 *21 Se 0.58134675394551 0.88648417353445 0.25000000000000 78.960 > 21 22 Se 0.58134675394551 0.61351582646555 0.75000000000000 78.960 > 22 23 Se 0.41865324605449 0.38648417353445 0.25000000000000 78.960 > 23 24 Se 0.41865324605449 0.11351582646555 0.75000000000000 78.960 > 24 *25 Sm 0.60706636367251 0.25000000000000 0.00000000000000 150.360 > 25 26 Sm 0.60706636367251 0.25000000000000 0.50000000000000 150.360 > 26 27 Sm 0.39293363632749 0.75000000000000 0.00000000000000 150.360 > 27 28 Sm 0.39293363632749 0.75000000000000 0.50000000000000 150.360 > 28 *29 Sm 0.86988363104420 0.53244321757298 0.25000000000000 150.360 > 29 30 Sm 0.86988363104420 0.96755678242702 0.75000000000000 150.360 > 30 31 Sm 0.13011636895580 0.03244321757298 0.25000000000000 150.360 > 31 32 Sm 0.13011636895580 0.46755678242702 0.75000000000000 150.360 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.187160520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097421480000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): *1 O 0.13648034669891 0.21445996255456 0.53334264952403 15.999 > 1 2 O 0.63648034669891 0.21445996255456 0.53334264952403 15.999 > 1 3 O 0.13648034669891 0.71445996255456 0.53334264952403 15.999 > 1 4 O 0.63648034669891 0.71445996255456 0.53334264952403 15.999 > 1 5 O 0.13648034669891 0.03554003744544 0.46665735047597 15.999 > 2 6 O 0.63648034669891 0.03554003744544 0.46665735047597 15.999 > 2 7 O 0.13648034669891 0.53554003744544 0.46665735047597 15.999 > 2 8 O 0.63648034669891 0.53554003744544 0.46665735047597 15.999 > 2 9 O 0.36351965330109 0.46445996255456 0.96665735047597 15.999 > 3 10 O 0.86351965330109 0.46445996255456 0.96665735047597 15.999 > 3 11 O 0.36351965330109 0.96445996255456 0.96665735047597 15.999 > 3 12 O 0.86351965330109 0.96445996255456 0.96665735047597 15.999 > 3 13 O 0.36351965330109 0.28554003744544 0.03334264952403 15.999 > 4 14 O 0.86351965330109 0.28554003744544 0.03334264952403 15.999 > 4 15 O 0.36351965330109 0.78554003744544 0.03334264952403 15.999 > 4 16 O 0.86351965330109 0.78554003744544 0.03334264952403 15.999 > 4 17 O 0.36351965330109 0.28554003744544 0.46665735047597 15.999 > 5 18 O 0.86351965330109 0.28554003744544 0.46665735047597 15.999 > 5 19 O 0.36351965330109 0.78554003744544 0.46665735047597 15.999 > 5 20 O 0.86351965330109 0.78554003744544 0.46665735047597 15.999 > 5 21 O 0.36351965330109 0.46445996255456 0.53334264952403 15.999 > 6 22 O 0.86351965330109 0.46445996255456 0.53334264952403 15.999 > 6 23 O 0.36351965330109 0.96445996255456 0.53334264952403 15.999 > 6 24 O 0.86351965330109 0.96445996255456 0.53334264952403 15.999 > 6 25 O 0.13648034669891 0.03554003744544 0.03334264952403 15.999 > 7 26 O 0.63648034669891 0.03554003744544 0.03334264952403 15.999 > 7 27 O 0.13648034669891 0.53554003744544 0.03334264952403 15.999 > 7 28 O 0.63648034669891 0.53554003744544 0.03334264952403 15.999 > 7 29 O 0.13648034669891 0.21445996255456 0.96665735047597 15.999 > 8 30 O 0.63648034669891 0.21445996255456 0.96665735047597 15.999 > 8 31 O 0.13648034669891 0.71445996255456 0.96665735047597 15.999 > 8 32 O 0.63648034669891 0.71445996255456 0.96665735047597 15.999 > 8 *33 O 0.02692841599947 0.36877168226998 0.61981633466102 15.999 > 9 34 O 0.52692841599947 0.36877168226998 0.61981633466102 15.999 > 9 35 O 0.02692841599947 0.86877168226998 0.61981633466102 15.999 > 9 36 O 0.52692841599947 0.86877168226998 0.61981633466102 15.999 > 9 37 O 0.02692841599947 0.36877168226998 0.88018366533898 15.999 > 10 38 O 0.52692841599947 0.36877168226998 0.88018366533898 15.999 > 10 39 O 0.02692841599947 0.86877168226998 0.88018366533898 15.999 > 10 40 O 0.52692841599947 0.86877168226998 0.88018366533898 15.999 > 10 41 O 0.47307158400053 0.11877168226998 0.88018366533898 15.999 > 11 42 O 0.97307158400053 0.11877168226998 0.88018366533898 15.999 > 11 43 O 0.47307158400053 0.61877168226998 0.88018366533898 15.999 > 11 44 O 0.97307158400053 0.61877168226998 0.88018366533898 15.999 > 11 45 O 0.47307158400053 0.13122831773002 0.11981633466102 15.999 > 12 46 O 0.97307158400053 0.13122831773002 0.11981633466102 15.999 > 12 47 O 0.47307158400053 0.63122831773002 0.11981633466102 15.999 > 12 48 O 0.97307158400053 0.63122831773002 0.11981633466102 15.999 > 12 49 O 0.47307158400053 0.13122831773002 0.38018366533898 15.999 > 13 50 O 0.97307158400053 0.13122831773002 0.38018366533898 15.999 > 13 51 O 0.47307158400053 0.63122831773002 0.38018366533898 15.999 > 13 52 O 0.97307158400053 0.63122831773002 0.38018366533898 15.999 > 13 53 O 0.47307158400053 0.11877168226998 0.61981633466102 15.999 > 14 54 O 0.97307158400053 0.11877168226998 0.61981633466102 15.999 > 14 55 O 0.47307158400053 0.61877168226998 0.61981633466102 15.999 > 14 56 O 0.97307158400053 0.61877168226998 0.61981633466102 15.999 > 14 57 O 0.02692841599947 0.38122831773002 0.11981633466102 15.999 > 15 58 O 0.52692841599947 0.38122831773002 0.11981633466102 15.999 > 15 59 O 0.02692841599947 0.88122831773002 0.11981633466102 15.999 > 15 60 O 0.52692841599947 0.88122831773002 0.11981633466102 15.999 > 15 61 O 0.02692841599947 0.38122831773002 0.38018366533898 15.999 > 16 62 O 0.52692841599947 0.38122831773002 0.38018366533898 15.999 > 16 63 O 0.02692841599947 0.88122831773002 0.38018366533898 15.999 > 16 64 O 0.52692841599947 0.88122831773002 0.38018366533898 15.999 > 16 *65 Si 0.05582396975407 0.12500000000000 0.00000000000000 28.085 > 17 66 Si 0.55582396975407 0.12500000000000 0.00000000000000 28.085 > 17 67 Si 0.05582396975407 0.62500000000000 0.00000000000000 28.085 > 17 68 Si 0.55582396975407 0.62500000000000 0.00000000000000 28.085 > 17 69 Si 0.44417603024593 0.37500000000000 0.00000000000000 28.085 > 18 70 Si 0.94417603024593 0.37500000000000 0.00000000000000 28.085 > 18 71 Si 0.44417603024593 0.87500000000000 0.00000000000000 28.085 > 18 72 Si 0.94417603024593 0.87500000000000 0.00000000000000 28.085 > 18 73 Si 0.44417603024593 0.37500000000000 0.50000000000000 28.085 > 19 74 Si 0.94417603024593 0.37500000000000 0.50000000000000 28.085 > 19 75 Si 0.44417603024593 0.87500000000000 0.50000000000000 28.085 > 19 76 Si 0.94417603024593 0.87500000000000 0.50000000000000 28.085 > 19 77 Si 0.05582396975407 0.12500000000000 0.50000000000000 28.085 > 20 78 Si 0.55582396975407 0.12500000000000 0.50000000000000 28.085 > 20 79 Si 0.05582396975407 0.62500000000000 0.50000000000000 28.085 > 20 80 Si 0.55582396975407 0.62500000000000 0.50000000000000 28.085 > 20 *81 Se 0.29067337697276 0.44324208676722 0.25000000000000 78.960 > 21 82 Se 0.79067337697276 0.44324208676722 0.25000000000000 78.960 > 21 83 Se 0.29067337697276 0.94324208676722 0.25000000000000 78.960 > 21 84 Se 0.79067337697276 0.94324208676722 0.25000000000000 78.960 > 21 85 Se 0.29067337697276 0.30675791323278 0.75000000000000 78.960 > 22 86 Se 0.79067337697276 0.30675791323278 0.75000000000000 78.960 > 22 87 Se 0.29067337697276 0.80675791323278 0.75000000000000 78.960 > 22 88 Se 0.79067337697276 0.80675791323278 0.75000000000000 78.960 > 22 89 Se 0.20932662302724 0.19324208676722 0.25000000000000 78.960 > 23 90 Se 0.70932662302724 0.19324208676722 0.25000000000000 78.960 > 23 91 Se 0.20932662302724 0.69324208676722 0.25000000000000 78.960 > 23 92 Se 0.70932662302724 0.69324208676722 0.25000000000000 78.960 > 23 93 Se 0.20932662302724 0.05675791323278 0.75000000000000 78.960 > 24 94 Se 0.70932662302724 0.05675791323278 0.75000000000000 78.960 > 24 95 Se 0.20932662302724 0.55675791323278 0.75000000000000 78.960 > 24 96 Se 0.70932662302724 0.55675791323278 0.75000000000000 78.960 > 24 *97 Sm 0.30353318183625 0.12500000000000 0.00000000000000 150.360 > 25 98 Sm 0.80353318183625 0.12500000000000 0.00000000000000 150.360 > 25 99 Sm 0.30353318183625 0.62500000000000 0.00000000000000 150.360 > 25 100 Sm 0.80353318183625 0.62500000000000 0.00000000000000 150.360 > 25 101 Sm 0.30353318183625 0.12500000000000 0.50000000000000 150.360 > 26 102 Sm 0.80353318183625 0.12500000000000 0.50000000000000 150.360 > 26 103 Sm 0.30353318183625 0.62500000000000 0.50000000000000 150.360 > 26 104 Sm 0.80353318183625 0.62500000000000 0.50000000000000 150.360 > 26 105 Sm 0.19646681816375 0.37500000000000 0.00000000000000 150.360 > 27 106 Sm 0.69646681816375 0.37500000000000 0.00000000000000 150.360 > 27 107 Sm 0.19646681816375 0.87500000000000 0.00000000000000 150.360 > 27 108 Sm 0.69646681816375 0.87500000000000 0.00000000000000 150.360 > 27 109 Sm 0.19646681816375 0.37500000000000 0.50000000000000 150.360 > 28 110 Sm 0.69646681816375 0.37500000000000 0.50000000000000 150.360 > 28 111 Sm 0.19646681816375 0.87500000000000 0.50000000000000 150.360 > 28 112 Sm 0.69646681816375 0.87500000000000 0.50000000000000 150.360 > 28 *113 Sm 0.43494181552210 0.26622160878649 0.25000000000000 150.360 > 29 114 Sm 0.93494181552210 0.26622160878649 0.25000000000000 150.360 > 29 115 Sm 0.43494181552210 0.76622160878649 0.25000000000000 150.360 > 29 116 Sm 0.93494181552210 0.76622160878649 0.25000000000000 150.360 > 29 117 Sm 0.43494181552210 0.48377839121351 0.75000000000000 150.360 > 30 118 Sm 0.93494181552210 0.48377839121351 0.75000000000000 150.360 > 30 119 Sm 0.43494181552210 0.98377839121351 0.75000000000000 150.360 > 30 120 Sm 0.93494181552210 0.98377839121351 0.75000000000000 150.360 > 30 121 Sm 0.06505818447790 0.01622160878649 0.25000000000000 150.360 > 31 122 Sm 0.56505818447790 0.01622160878649 0.25000000000000 150.360 > 31 123 Sm 0.06505818447790 0.51622160878649 0.25000000000000 150.360 > 31 124 Sm 0.56505818447790 0.51622160878649 0.25000000000000 150.360 > 31 125 Sm 0.06505818447790 0.23377839121351 0.75000000000000 150.360 > 32 126 Sm 0.56505818447790 0.23377839121351 0.75000000000000 150.360 > 32 127 Sm 0.06505818447790 0.73377839121351 0.75000000000000 150.360 > 32 128 Sm 0.56505818447790 0.73377839121351 0.75000000000000 150.360 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3297148 0.0000000 0.0000000 0.0000000 5.5762716 0.0000000 0.0000000 0.0000000 5.3741516 -------------------------- Born effective charges -------------------------- 1 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 2 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 3 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 4 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 5 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 6 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 7 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 8 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 9 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 10 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 11 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 12 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 13 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 14 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 15 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 16 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 17 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 18 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 19 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 20 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 21 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 22 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 23 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 24 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 25 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 26 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 27 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 28 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 29 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 30 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 31 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 32 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.796 Solver_block: 200 / 480 - Time: 0.695 Solver_block: 300 / 480 - Time: 0.690 Solver_block: 400 / 480 - Time: 0.690 Solver_block: 480 / 480 - Time: 0.573 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.539 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:43:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:43:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.093580260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048710740000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): 1 O 0.27296069339781 0.42891992510912 0.53334264952403 15.999 2 O 0.27296069339781 0.07108007489088 0.46665735047597 15.999 3 O 0.72703930660219 0.92891992510912 0.96665735047597 15.999 4 O 0.72703930660219 0.57108007489088 0.03334264952403 15.999 5 O 0.72703930660219 0.57108007489088 0.46665735047597 15.999 6 O 0.72703930660219 0.92891992510912 0.53334264952403 15.999 7 O 0.27296069339781 0.07108007489088 0.03334264952403 15.999 8 O 0.27296069339781 0.42891992510912 0.96665735047597 15.999 9 O 0.05385683199893 0.73754336453997 0.61981633466102 15.999 10 O 0.05385683199893 0.73754336453997 0.88018366533898 15.999 11 O 0.94614316800107 0.23754336453997 0.88018366533898 15.999 12 O 0.94614316800107 0.26245663546003 0.11981633466102 15.999 13 O 0.94614316800107 0.26245663546003 0.38018366533898 15.999 14 O 0.94614316800107 0.23754336453997 0.61981633466102 15.999 15 O 0.05385683199893 0.76245663546003 0.11981633466102 15.999 16 O 0.05385683199893 0.76245663546003 0.38018366533898 15.999 17 Si 0.11164793950814 0.25000000000000 0.00000000000000 28.085 18 Si 0.88835206049186 0.75000000000000 0.00000000000000 28.085 19 Si 0.88835206049186 0.75000000000000 0.50000000000000 28.085 20 Si 0.11164793950814 0.25000000000000 0.50000000000000 28.085 21 Se 0.58134675394551 0.88648417353445 0.25000000000000 78.960 22 Se 0.58134675394551 0.61351582646555 0.75000000000000 78.960 23 Se 0.41865324605449 0.38648417353445 0.25000000000000 78.960 24 Se 0.41865324605449 0.11351582646555 0.75000000000000 78.960 25 Sm 0.60706636367251 0.25000000000000 0.00000000000000 150.360 26 Sm 0.60706636367251 0.25000000000000 0.50000000000000 150.360 27 Sm 0.39293363632749 0.75000000000000 0.00000000000000 150.360 28 Sm 0.39293363632749 0.75000000000000 0.50000000000000 150.360 29 Sm 0.86988363104420 0.53244321757298 0.25000000000000 150.360 30 Sm 0.86988363104420 0.96755678242702 0.75000000000000 150.360 31 Sm 0.13011636895580 0.03244321757298 0.25000000000000 150.360 32 Sm 0.13011636895580 0.46755678242702 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.187160520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097421480000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): 1 O 0.13648034669891 0.21445996255456 0.53334264952403 15.999 > 1 2 O 0.63648034669891 0.21445996255456 0.53334264952403 15.999 > 1 3 O 0.13648034669891 0.71445996255456 0.53334264952403 15.999 > 1 4 O 0.63648034669891 0.71445996255456 0.53334264952403 15.999 > 1 5 O 0.13648034669891 0.03554003744544 0.46665735047597 15.999 > 5 6 O 0.63648034669891 0.03554003744544 0.46665735047597 15.999 > 5 7 O 0.13648034669891 0.53554003744544 0.46665735047597 15.999 > 5 8 O 0.63648034669891 0.53554003744544 0.46665735047597 15.999 > 5 9 O 0.36351965330109 0.46445996255456 0.96665735047597 15.999 > 9 10 O 0.86351965330109 0.46445996255456 0.96665735047597 15.999 > 9 11 O 0.36351965330109 0.96445996255456 0.96665735047597 15.999 > 9 12 O 0.86351965330109 0.96445996255456 0.96665735047597 15.999 > 9 13 O 0.36351965330109 0.28554003744544 0.03334264952403 15.999 > 13 14 O 0.86351965330109 0.28554003744544 0.03334264952403 15.999 > 13 15 O 0.36351965330109 0.78554003744544 0.03334264952403 15.999 > 13 16 O 0.86351965330109 0.78554003744544 0.03334264952403 15.999 > 13 17 O 0.36351965330109 0.28554003744544 0.46665735047597 15.999 > 17 18 O 0.86351965330109 0.28554003744544 0.46665735047597 15.999 > 17 19 O 0.36351965330109 0.78554003744544 0.46665735047597 15.999 > 17 20 O 0.86351965330109 0.78554003744544 0.46665735047597 15.999 > 17 21 O 0.36351965330109 0.46445996255456 0.53334264952403 15.999 > 21 22 O 0.86351965330109 0.46445996255456 0.53334264952403 15.999 > 21 23 O 0.36351965330109 0.96445996255456 0.53334264952403 15.999 > 21 24 O 0.86351965330109 0.96445996255456 0.53334264952403 15.999 > 21 25 O 0.13648034669891 0.03554003744544 0.03334264952403 15.999 > 25 26 O 0.63648034669891 0.03554003744544 0.03334264952403 15.999 > 25 27 O 0.13648034669891 0.53554003744544 0.03334264952403 15.999 > 25 28 O 0.63648034669891 0.53554003744544 0.03334264952403 15.999 > 25 29 O 0.13648034669891 0.21445996255456 0.96665735047597 15.999 > 29 30 O 0.63648034669891 0.21445996255456 0.96665735047597 15.999 > 29 31 O 0.13648034669891 0.71445996255456 0.96665735047597 15.999 > 29 32 O 0.63648034669891 0.71445996255456 0.96665735047597 15.999 > 29 33 O 0.02692841599947 0.36877168226998 0.61981633466102 15.999 > 33 34 O 0.52692841599947 0.36877168226998 0.61981633466102 15.999 > 33 35 O 0.02692841599947 0.86877168226998 0.61981633466102 15.999 > 33 36 O 0.52692841599947 0.86877168226998 0.61981633466102 15.999 > 33 37 O 0.02692841599947 0.36877168226998 0.88018366533898 15.999 > 37 38 O 0.52692841599947 0.36877168226998 0.88018366533898 15.999 > 37 39 O 0.02692841599947 0.86877168226998 0.88018366533898 15.999 > 37 40 O 0.52692841599947 0.86877168226998 0.88018366533898 15.999 > 37 41 O 0.47307158400053 0.11877168226998 0.88018366533898 15.999 > 41 42 O 0.97307158400053 0.11877168226998 0.88018366533898 15.999 > 41 43 O 0.47307158400053 0.61877168226998 0.88018366533898 15.999 > 41 44 O 0.97307158400053 0.61877168226998 0.88018366533898 15.999 > 41 45 O 0.47307158400053 0.13122831773002 0.11981633466102 15.999 > 45 46 O 0.97307158400053 0.13122831773002 0.11981633466102 15.999 > 45 47 O 0.47307158400053 0.63122831773002 0.11981633466102 15.999 > 45 48 O 0.97307158400053 0.63122831773002 0.11981633466102 15.999 > 45 49 O 0.47307158400053 0.13122831773002 0.38018366533898 15.999 > 49 50 O 0.97307158400053 0.13122831773002 0.38018366533898 15.999 > 49 51 O 0.47307158400053 0.63122831773002 0.38018366533898 15.999 > 49 52 O 0.97307158400053 0.63122831773002 0.38018366533898 15.999 > 49 53 O 0.47307158400053 0.11877168226998 0.61981633466102 15.999 > 53 54 O 0.97307158400053 0.11877168226998 0.61981633466102 15.999 > 53 55 O 0.47307158400053 0.61877168226998 0.61981633466102 15.999 > 53 56 O 0.97307158400053 0.61877168226998 0.61981633466102 15.999 > 53 57 O 0.02692841599947 0.38122831773002 0.11981633466102 15.999 > 57 58 O 0.52692841599947 0.38122831773002 0.11981633466102 15.999 > 57 59 O 0.02692841599947 0.88122831773002 0.11981633466102 15.999 > 57 60 O 0.52692841599947 0.88122831773002 0.11981633466102 15.999 > 57 61 O 0.02692841599947 0.38122831773002 0.38018366533898 15.999 > 61 62 O 0.52692841599947 0.38122831773002 0.38018366533898 15.999 > 61 63 O 0.02692841599947 0.88122831773002 0.38018366533898 15.999 > 61 64 O 0.52692841599947 0.88122831773002 0.38018366533898 15.999 > 61 65 Si 0.05582396975407 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55582396975407 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05582396975407 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55582396975407 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44417603024593 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94417603024593 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44417603024593 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94417603024593 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44417603024593 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94417603024593 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44417603024593 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94417603024593 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05582396975407 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55582396975407 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05582396975407 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55582396975407 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.29067337697276 0.44324208676722 0.25000000000000 78.960 > 81 82 Se 0.79067337697276 0.44324208676722 0.25000000000000 78.960 > 81 83 Se 0.29067337697276 0.94324208676722 0.25000000000000 78.960 > 81 84 Se 0.79067337697276 0.94324208676722 0.25000000000000 78.960 > 81 85 Se 0.29067337697276 0.30675791323278 0.75000000000000 78.960 > 85 86 Se 0.79067337697276 0.30675791323278 0.75000000000000 78.960 > 85 87 Se 0.29067337697276 0.80675791323278 0.75000000000000 78.960 > 85 88 Se 0.79067337697276 0.80675791323278 0.75000000000000 78.960 > 85 89 Se 0.20932662302724 0.19324208676722 0.25000000000000 78.960 > 89 90 Se 0.70932662302724 0.19324208676722 0.25000000000000 78.960 > 89 91 Se 0.20932662302724 0.69324208676722 0.25000000000000 78.960 > 89 92 Se 0.70932662302724 0.69324208676722 0.25000000000000 78.960 > 89 93 Se 0.20932662302724 0.05675791323278 0.75000000000000 78.960 > 93 94 Se 0.70932662302724 0.05675791323278 0.75000000000000 78.960 > 93 95 Se 0.20932662302724 0.55675791323278 0.75000000000000 78.960 > 93 96 Se 0.70932662302724 0.55675791323278 0.75000000000000 78.960 > 93 97 Sm 0.30353318183625 0.12500000000000 0.00000000000000 150.360 > 97 98 Sm 0.80353318183625 0.12500000000000 0.00000000000000 150.360 > 97 99 Sm 0.30353318183625 0.62500000000000 0.00000000000000 150.360 > 97 100 Sm 0.80353318183625 0.62500000000000 0.00000000000000 150.360 > 97 101 Sm 0.30353318183625 0.12500000000000 0.50000000000000 150.360 > 101 102 Sm 0.80353318183625 0.12500000000000 0.50000000000000 150.360 > 101 103 Sm 0.30353318183625 0.62500000000000 0.50000000000000 150.360 > 101 104 Sm 0.80353318183625 0.62500000000000 0.50000000000000 150.360 > 101 105 Sm 0.19646681816375 0.37500000000000 0.00000000000000 150.360 > 105 106 Sm 0.69646681816375 0.37500000000000 0.00000000000000 150.360 > 105 107 Sm 0.19646681816375 0.87500000000000 0.00000000000000 150.360 > 105 108 Sm 0.69646681816375 0.87500000000000 0.00000000000000 150.360 > 105 109 Sm 0.19646681816375 0.37500000000000 0.50000000000000 150.360 > 109 110 Sm 0.69646681816375 0.37500000000000 0.50000000000000 150.360 > 109 111 Sm 0.19646681816375 0.87500000000000 0.50000000000000 150.360 > 109 112 Sm 0.69646681816375 0.87500000000000 0.50000000000000 150.360 > 109 113 Sm 0.43494181552210 0.26622160878649 0.25000000000000 150.360 > 113 114 Sm 0.93494181552210 0.26622160878649 0.25000000000000 150.360 > 113 115 Sm 0.43494181552210 0.76622160878649 0.25000000000000 150.360 > 113 116 Sm 0.93494181552210 0.76622160878649 0.25000000000000 150.360 > 113 117 Sm 0.43494181552210 0.48377839121351 0.75000000000000 150.360 > 117 118 Sm 0.93494181552210 0.48377839121351 0.75000000000000 150.360 > 117 119 Sm 0.43494181552210 0.98377839121351 0.75000000000000 150.360 > 117 120 Sm 0.93494181552210 0.98377839121351 0.75000000000000 150.360 > 117 121 Sm 0.06505818447790 0.01622160878649 0.25000000000000 150.360 > 121 122 Sm 0.56505818447790 0.01622160878649 0.25000000000000 150.360 > 121 123 Sm 0.06505818447790 0.51622160878649 0.25000000000000 150.360 > 121 124 Sm 0.56505818447790 0.51622160878649 0.25000000000000 150.360 > 121 125 Sm 0.06505818447790 0.23377839121351 0.75000000000000 150.360 > 125 126 Sm 0.56505818447790 0.23377839121351 0.75000000000000 150.360 > 125 127 Sm 0.06505818447790 0.73377839121351 0.75000000000000 150.360 > 125 128 Sm 0.56505818447790 0.73377839121351 0.75000000000000 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3297148 0.0000000 0.0000000 0.0000000 5.5762716 0.0000000 0.0000000 0.0000000 5.3741516 -------------------------- Born effective charges -------------------------- 1 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 2 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 3 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 4 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 5 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 6 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 7 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 8 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 9 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 10 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 11 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 12 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 13 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 14 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 15 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 16 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 17 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 18 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 19 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 20 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 21 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 22 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 23 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 24 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 25 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 26 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 27 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 28 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 29 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 30 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 31 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 32 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 113, 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:43:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:43:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.093580260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048710740000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): 1 O 0.27296069339781 0.42891992510912 0.53334264952403 15.999 2 O 0.27296069339781 0.07108007489088 0.46665735047597 15.999 3 O 0.72703930660219 0.92891992510912 0.96665735047597 15.999 4 O 0.72703930660219 0.57108007489088 0.03334264952403 15.999 5 O 0.72703930660219 0.57108007489088 0.46665735047597 15.999 6 O 0.72703930660219 0.92891992510912 0.53334264952403 15.999 7 O 0.27296069339781 0.07108007489088 0.03334264952403 15.999 8 O 0.27296069339781 0.42891992510912 0.96665735047597 15.999 9 O 0.05385683199893 0.73754336453997 0.61981633466102 15.999 10 O 0.05385683199893 0.73754336453997 0.88018366533898 15.999 11 O 0.94614316800107 0.23754336453997 0.88018366533898 15.999 12 O 0.94614316800107 0.26245663546003 0.11981633466102 15.999 13 O 0.94614316800107 0.26245663546003 0.38018366533898 15.999 14 O 0.94614316800107 0.23754336453997 0.61981633466102 15.999 15 O 0.05385683199893 0.76245663546003 0.11981633466102 15.999 16 O 0.05385683199893 0.76245663546003 0.38018366533898 15.999 17 Si 0.11164793950814 0.25000000000000 0.00000000000000 28.085 18 Si 0.88835206049186 0.75000000000000 0.00000000000000 28.085 19 Si 0.88835206049186 0.75000000000000 0.50000000000000 28.085 20 Si 0.11164793950814 0.25000000000000 0.50000000000000 28.085 21 Se 0.58134675394551 0.88648417353445 0.25000000000000 78.960 22 Se 0.58134675394551 0.61351582646555 0.75000000000000 78.960 23 Se 0.41865324605449 0.38648417353445 0.25000000000000 78.960 24 Se 0.41865324605449 0.11351582646555 0.75000000000000 78.960 25 Sm 0.60706636367251 0.25000000000000 0.00000000000000 150.360 26 Sm 0.60706636367251 0.25000000000000 0.50000000000000 150.360 27 Sm 0.39293363632749 0.75000000000000 0.00000000000000 150.360 28 Sm 0.39293363632749 0.75000000000000 0.50000000000000 150.360 29 Sm 0.86988363104420 0.53244321757298 0.25000000000000 150.360 30 Sm 0.86988363104420 0.96755678242702 0.75000000000000 150.360 31 Sm 0.13011636895580 0.03244321757298 0.25000000000000 150.360 32 Sm 0.13011636895580 0.46755678242702 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.187160520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097421480000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.856853080000000 Atomic positions (fractional): 1 O 0.13648034669891 0.21445996255456 0.53334264952403 15.999 > 1 2 O 0.63648034669891 0.21445996255456 0.53334264952403 15.999 > 1 3 O 0.13648034669891 0.71445996255456 0.53334264952403 15.999 > 1 4 O 0.63648034669891 0.71445996255456 0.53334264952403 15.999 > 1 5 O 0.13648034669891 0.03554003744544 0.46665735047597 15.999 > 5 6 O 0.63648034669891 0.03554003744544 0.46665735047597 15.999 > 5 7 O 0.13648034669891 0.53554003744544 0.46665735047597 15.999 > 5 8 O 0.63648034669891 0.53554003744544 0.46665735047597 15.999 > 5 9 O 0.36351965330109 0.46445996255456 0.96665735047597 15.999 > 9 10 O 0.86351965330109 0.46445996255456 0.96665735047597 15.999 > 9 11 O 0.36351965330109 0.96445996255456 0.96665735047597 15.999 > 9 12 O 0.86351965330109 0.96445996255456 0.96665735047597 15.999 > 9 13 O 0.36351965330109 0.28554003744544 0.03334264952403 15.999 > 13 14 O 0.86351965330109 0.28554003744544 0.03334264952403 15.999 > 13 15 O 0.36351965330109 0.78554003744544 0.03334264952403 15.999 > 13 16 O 0.86351965330109 0.78554003744544 0.03334264952403 15.999 > 13 17 O 0.36351965330109 0.28554003744544 0.46665735047597 15.999 > 17 18 O 0.86351965330109 0.28554003744544 0.46665735047597 15.999 > 17 19 O 0.36351965330109 0.78554003744544 0.46665735047597 15.999 > 17 20 O 0.86351965330109 0.78554003744544 0.46665735047597 15.999 > 17 21 O 0.36351965330109 0.46445996255456 0.53334264952403 15.999 > 21 22 O 0.86351965330109 0.46445996255456 0.53334264952403 15.999 > 21 23 O 0.36351965330109 0.96445996255456 0.53334264952403 15.999 > 21 24 O 0.86351965330109 0.96445996255456 0.53334264952403 15.999 > 21 25 O 0.13648034669891 0.03554003744544 0.03334264952403 15.999 > 25 26 O 0.63648034669891 0.03554003744544 0.03334264952403 15.999 > 25 27 O 0.13648034669891 0.53554003744544 0.03334264952403 15.999 > 25 28 O 0.63648034669891 0.53554003744544 0.03334264952403 15.999 > 25 29 O 0.13648034669891 0.21445996255456 0.96665735047597 15.999 > 29 30 O 0.63648034669891 0.21445996255456 0.96665735047597 15.999 > 29 31 O 0.13648034669891 0.71445996255456 0.96665735047597 15.999 > 29 32 O 0.63648034669891 0.71445996255456 0.96665735047597 15.999 > 29 33 O 0.02692841599947 0.36877168226998 0.61981633466102 15.999 > 33 34 O 0.52692841599947 0.36877168226998 0.61981633466102 15.999 > 33 35 O 0.02692841599947 0.86877168226998 0.61981633466102 15.999 > 33 36 O 0.52692841599947 0.86877168226998 0.61981633466102 15.999 > 33 37 O 0.02692841599947 0.36877168226998 0.88018366533898 15.999 > 37 38 O 0.52692841599947 0.36877168226998 0.88018366533898 15.999 > 37 39 O 0.02692841599947 0.86877168226998 0.88018366533898 15.999 > 37 40 O 0.52692841599947 0.86877168226998 0.88018366533898 15.999 > 37 41 O 0.47307158400053 0.11877168226998 0.88018366533898 15.999 > 41 42 O 0.97307158400053 0.11877168226998 0.88018366533898 15.999 > 41 43 O 0.47307158400053 0.61877168226998 0.88018366533898 15.999 > 41 44 O 0.97307158400053 0.61877168226998 0.88018366533898 15.999 > 41 45 O 0.47307158400053 0.13122831773002 0.11981633466102 15.999 > 45 46 O 0.97307158400053 0.13122831773002 0.11981633466102 15.999 > 45 47 O 0.47307158400053 0.63122831773002 0.11981633466102 15.999 > 45 48 O 0.97307158400053 0.63122831773002 0.11981633466102 15.999 > 45 49 O 0.47307158400053 0.13122831773002 0.38018366533898 15.999 > 49 50 O 0.97307158400053 0.13122831773002 0.38018366533898 15.999 > 49 51 O 0.47307158400053 0.63122831773002 0.38018366533898 15.999 > 49 52 O 0.97307158400053 0.63122831773002 0.38018366533898 15.999 > 49 53 O 0.47307158400053 0.11877168226998 0.61981633466102 15.999 > 53 54 O 0.97307158400053 0.11877168226998 0.61981633466102 15.999 > 53 55 O 0.47307158400053 0.61877168226998 0.61981633466102 15.999 > 53 56 O 0.97307158400053 0.61877168226998 0.61981633466102 15.999 > 53 57 O 0.02692841599947 0.38122831773002 0.11981633466102 15.999 > 57 58 O 0.52692841599947 0.38122831773002 0.11981633466102 15.999 > 57 59 O 0.02692841599947 0.88122831773002 0.11981633466102 15.999 > 57 60 O 0.52692841599947 0.88122831773002 0.11981633466102 15.999 > 57 61 O 0.02692841599947 0.38122831773002 0.38018366533898 15.999 > 61 62 O 0.52692841599947 0.38122831773002 0.38018366533898 15.999 > 61 63 O 0.02692841599947 0.88122831773002 0.38018366533898 15.999 > 61 64 O 0.52692841599947 0.88122831773002 0.38018366533898 15.999 > 61 65 Si 0.05582396975407 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55582396975407 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05582396975407 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55582396975407 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44417603024593 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94417603024593 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44417603024593 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94417603024593 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44417603024593 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94417603024593 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44417603024593 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94417603024593 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05582396975407 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55582396975407 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05582396975407 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55582396975407 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.29067337697276 0.44324208676722 0.25000000000000 78.960 > 81 82 Se 0.79067337697276 0.44324208676722 0.25000000000000 78.960 > 81 83 Se 0.29067337697276 0.94324208676722 0.25000000000000 78.960 > 81 84 Se 0.79067337697276 0.94324208676722 0.25000000000000 78.960 > 81 85 Se 0.29067337697276 0.30675791323278 0.75000000000000 78.960 > 85 86 Se 0.79067337697276 0.30675791323278 0.75000000000000 78.960 > 85 87 Se 0.29067337697276 0.80675791323278 0.75000000000000 78.960 > 85 88 Se 0.79067337697276 0.80675791323278 0.75000000000000 78.960 > 85 89 Se 0.20932662302724 0.19324208676722 0.25000000000000 78.960 > 89 90 Se 0.70932662302724 0.19324208676722 0.25000000000000 78.960 > 89 91 Se 0.20932662302724 0.69324208676722 0.25000000000000 78.960 > 89 92 Se 0.70932662302724 0.69324208676722 0.25000000000000 78.960 > 89 93 Se 0.20932662302724 0.05675791323278 0.75000000000000 78.960 > 93 94 Se 0.70932662302724 0.05675791323278 0.75000000000000 78.960 > 93 95 Se 0.20932662302724 0.55675791323278 0.75000000000000 78.960 > 93 96 Se 0.70932662302724 0.55675791323278 0.75000000000000 78.960 > 93 97 Sm 0.30353318183625 0.12500000000000 0.00000000000000 150.360 > 97 98 Sm 0.80353318183625 0.12500000000000 0.00000000000000 150.360 > 97 99 Sm 0.30353318183625 0.62500000000000 0.00000000000000 150.360 > 97 100 Sm 0.80353318183625 0.62500000000000 0.00000000000000 150.360 > 97 101 Sm 0.30353318183625 0.12500000000000 0.50000000000000 150.360 > 101 102 Sm 0.80353318183625 0.12500000000000 0.50000000000000 150.360 > 101 103 Sm 0.30353318183625 0.62500000000000 0.50000000000000 150.360 > 101 104 Sm 0.80353318183625 0.62500000000000 0.50000000000000 150.360 > 101 105 Sm 0.19646681816375 0.37500000000000 0.00000000000000 150.360 > 105 106 Sm 0.69646681816375 0.37500000000000 0.00000000000000 150.360 > 105 107 Sm 0.19646681816375 0.87500000000000 0.00000000000000 150.360 > 105 108 Sm 0.69646681816375 0.87500000000000 0.00000000000000 150.360 > 105 109 Sm 0.19646681816375 0.37500000000000 0.50000000000000 150.360 > 109 110 Sm 0.69646681816375 0.37500000000000 0.50000000000000 150.360 > 109 111 Sm 0.19646681816375 0.87500000000000 0.50000000000000 150.360 > 109 112 Sm 0.69646681816375 0.87500000000000 0.50000000000000 150.360 > 109 113 Sm 0.43494181552210 0.26622160878649 0.25000000000000 150.360 > 113 114 Sm 0.93494181552210 0.26622160878649 0.25000000000000 150.360 > 113 115 Sm 0.43494181552210 0.76622160878649 0.25000000000000 150.360 > 113 116 Sm 0.93494181552210 0.76622160878649 0.25000000000000 150.360 > 113 117 Sm 0.43494181552210 0.48377839121351 0.75000000000000 150.360 > 117 118 Sm 0.93494181552210 0.48377839121351 0.75000000000000 150.360 > 117 119 Sm 0.43494181552210 0.98377839121351 0.75000000000000 150.360 > 117 120 Sm 0.93494181552210 0.98377839121351 0.75000000000000 150.360 > 117 121 Sm 0.06505818447790 0.01622160878649 0.25000000000000 150.360 > 121 122 Sm 0.56505818447790 0.01622160878649 0.25000000000000 150.360 > 121 123 Sm 0.06505818447790 0.51622160878649 0.25000000000000 150.360 > 121 124 Sm 0.56505818447790 0.51622160878649 0.25000000000000 150.360 > 121 125 Sm 0.06505818447790 0.23377839121351 0.75000000000000 150.360 > 125 126 Sm 0.56505818447790 0.23377839121351 0.75000000000000 150.360 > 125 127 Sm 0.06505818447790 0.73377839121351 0.75000000000000 150.360 > 125 128 Sm 0.56505818447790 0.73377839121351 0.75000000000000 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3297148 0.0000000 0.0000000 0.0000000 5.5762716 0.0000000 0.0000000 0.0000000 5.3741516 -------------------------- Born effective charges -------------------------- 1 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 2 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 3 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 4 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 5 O -2.1436884 -0.2292909 0.0906469 -0.3326129 -2.5151630 -0.2057492 0.0987865 -0.1626019 -2.3299409 6 O -2.1436884 0.2292909 -0.0906469 0.3326129 -2.5151630 -0.2057492 -0.0987865 -0.1626019 -2.3299409 7 O -2.1436884 0.2292909 0.0906469 0.3326129 -2.5151630 0.2057492 0.0987865 0.1626019 -2.3299409 8 O -2.1436884 -0.2292909 -0.0906469 -0.3326129 -2.5151630 0.2057492 -0.0987865 0.1626019 -2.3299409 9 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 10 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 11 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 12 O -2.6629362 0.3772416 0.0161572 0.2121188 -1.9368170 -0.1476291 -0.0641534 -0.0588116 -2.4186126 13 O -2.6629362 0.3772416 -0.0161572 0.2121188 -1.9368170 0.1476291 0.0641534 0.0588116 -2.4186126 14 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 15 O -2.6629362 -0.3772416 -0.0161572 -0.2121188 -1.9368170 -0.1476291 0.0641534 -0.0588116 -2.4186126 16 O -2.6629362 -0.3772416 0.0161572 -0.2121188 -1.9368170 0.1476291 -0.0641534 0.0588116 -2.4186126 17 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 18 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 -0.0074091 0.0000000 -0.2107925 3.6562166 19 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 20 Si 3.7752587 0.0000000 0.0000000 0.0000000 2.6848379 0.0074091 0.0000000 0.2107925 3.6562166 21 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 22 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 23 Se -2.2983421 -0.3239391 0.0000000 -0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 24 Se -2.2983421 0.3239391 0.0000000 0.3597753 -2.2062390 0.0000000 0.0000000 0.0000000 -2.1638483 25 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 26 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 27 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 -0.0608440 0.0000000 0.1418819 4.3220020 28 Sm 3.9013334 0.0000000 0.0000000 0.0000000 4.2753053 0.0608440 0.0000000 -0.1418819 4.3220020 29 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 30 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 31 Sm 4.2349992 0.2088859 0.0000000 0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 32 Sm 4.2349992 -0.2088859 0.0000000 -0.1110996 4.1500559 0.0000000 0.0000000 0.0000000 3.6827368 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 8 7 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: 0.54, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 12.867 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.574 ( 0.000 0.000 0.000) 0.000 15.915 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.223 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 24.274 ( 0.000 0.000 0.000) 0.000 24.446 ( 0.000 0.000 0.000) 0.000 24.518 ( 0.000 0.000 0.000) 0.000 24.628 ( 0.000 0.000 0.000) 0.000 24.650 ( 0.000 0.000 0.000) 0.000 24.891 ( 0.000 0.000 0.000) 0.000 25.190 ( 0.000 0.000 0.000) 0.000 25.517 ( 0.000 0.000 0.000) 0.000 27.072 ( 0.000 0.000 0.000) 0.000 27.128 ( 0.000 0.000 0.000) 0.000 27.270 ( 0.000 0.000 0.000) 0.000 27.271 ( 0.000 0.000 0.000) 0.000 27.365 ( 0.000 0.000 0.000) 0.000 27.446 ( 0.000 0.000 0.000) 0.000 27.499 ( 0.000 0.000 0.000) 0.000 28.437 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 25.901 0.000 0.000) 25.901 0.590 ( 28.289 0.000 0.000) 28.289 1.145 ( 50.963 0.000 0.000) 50.963 1.179 ( -0.757 0.000 0.000) 0.757 1.619 ( 4.053 0.000 0.000) 4.053 1.623 ( -7.133 0.000 0.000) 7.133 1.918 ( 4.161 0.000 0.000) 4.161 2.024 ( 3.685 0.000 0.000) 3.685 2.105 ( -8.877 0.000 0.000) 8.877 2.866 ( 20.385 0.000 0.000) 20.385 2.891 ( -10.272 0.000 0.000) 10.272 2.947 ( 1.923 0.000 0.000) 1.923 3.199 ( 4.493 0.000 0.000) 4.493 3.281 ( -9.709 0.000 0.000) 9.709 3.338 ( -2.530 0.000 0.000) 2.530 3.358 ( 2.964 0.000 0.000) 2.964 3.443 ( 8.046 0.000 0.000) 8.046 3.588 ( 15.187 0.000 0.000) 15.187 3.610 ( 2.211 0.000 0.000) 2.211 3.719 ( -2.044 0.000 0.000) 2.044 3.739 ( 1.437 0.000 0.000) 1.437 3.793 ( -0.600 0.000 0.000) 0.600 3.903 ( -1.771 0.000 0.000) 1.771 3.930 ( 3.863 0.000 0.000) 3.863 4.101 ( -0.118 0.000 0.000) 0.118 4.167 ( 15.156 0.000 0.000) 15.156 4.259 ( 9.679 0.000 0.000) 9.679 4.352 ( 10.230 0.000 0.000) 10.230 4.547 ( -1.083 0.000 0.000) 1.083 4.551 ( 0.248 0.000 0.000) 0.248 4.646 ( 2.662 0.000 0.000) 2.662 4.779 ( 1.621 0.000 0.000) 1.621 4.978 ( 1.700 0.000 0.000) 1.700 5.257 ( 1.518 0.000 0.000) 1.518 5.346 ( -4.075 0.000 0.000) 4.075 5.459 ( 4.043 0.000 0.000) 4.043 6.503 ( -3.672 0.000 0.000) 3.672 6.717 ( -0.762 0.000 0.000) 0.762 6.939 ( -2.189 0.000 0.000) 2.189 7.064 ( 2.585 0.000 0.000) 2.585 7.237 ( -0.423 0.000 0.000) 0.423 7.506 ( 1.657 0.000 0.000) 1.657 7.611 ( 0.613 0.000 0.000) 0.613 7.657 ( -1.407 0.000 0.000) 1.407 7.759 ( -2.221 0.000 0.000) 2.221 7.849 ( 2.470 0.000 0.000) 2.470 7.920 ( 0.875 0.000 0.000) 0.875 7.931 ( -3.675 0.000 0.000) 3.675 8.458 ( 6.112 0.000 0.000) 6.112 8.489 ( -2.873 0.000 0.000) 2.873 8.756 ( 5.411 0.000 0.000) 5.411 8.894 ( -3.270 0.000 0.000) 3.270 9.400 ( -3.106 0.000 0.000) 3.106 9.421 ( 5.052 0.000 0.000) 5.052 9.456 ( -3.334 0.000 0.000) 3.334 9.631 ( 1.728 0.000 0.000) 1.728 10.289 ( 0.445 0.000 0.000) 0.445 10.367 ( -12.374 0.000 0.000) 12.374 10.488 ( -3.450 0.000 0.000) 3.450 10.601 ( 1.040 0.000 0.000) 1.040 10.819 ( -6.409 0.000 0.000) 6.409 10.939 ( 2.940 0.000 0.000) 2.940 11.243 ( 3.557 0.000 0.000) 3.557 11.334 ( -9.687 0.000 0.000) 9.687 11.851 ( 1.385 0.000 0.000) 1.385 12.530 ( -6.974 0.000 0.000) 6.974 12.841 ( -2.500 0.000 0.000) 2.500 13.113 ( -9.922 0.000 0.000) 9.922 13.210 ( 6.893 0.000 0.000) 6.893 13.753 ( -4.155 0.000 0.000) 4.155 14.596 ( -10.952 0.000 0.000) 10.952 15.046 ( 6.807 0.000 0.000) 6.807 15.187 ( -0.015 0.000 0.000) 0.015 15.347 ( -13.158 0.000 0.000) 13.158 15.845 ( -6.478 0.000 0.000) 6.478 16.205 ( -1.613 0.000 0.000) 1.613 16.235 ( 13.824 0.000 0.000) 13.824 16.242 ( 5.255 0.000 0.000) 5.255 16.437 ( 14.478 0.000 0.000) 14.478 16.982 ( 0.228 0.000 0.000) 0.228 24.276 ( 0.191 0.000 0.000) 0.191 24.453 ( 0.641 0.000 0.000) 0.641 24.515 ( -0.288 0.000 0.000) 0.288 24.614 ( -1.499 0.000 0.000) 1.499 24.704 ( 1.995 0.000 0.000) 1.995 24.889 ( -0.205 0.000 0.000) 0.205 25.171 ( -1.482 0.000 0.000) 1.482 25.519 ( -0.121 0.000 0.000) 0.121 26.958 ( -7.064 0.000 0.000) 7.064 27.126 ( -0.265 0.000 0.000) 0.265 27.272 ( 0.173 0.000 0.000) 0.173 27.354 ( -1.053 0.000 0.000) 1.053 27.393 ( -4.767 0.000 0.000) 4.767 27.423 ( 10.525 0.000 0.000) 10.525 28.323 ( -10.253 0.000 0.000) 10.253 29.010 ( 3.366 0.000 0.000) 3.366 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 19.126 0.000 0.000) 19.126 1.137 ( 23.039 0.000 0.000) 23.039 1.170 ( 2.489 0.000 0.000) 2.489 1.453 ( -6.597 0.000 0.000) 6.597 1.731 ( 6.755 0.000 0.000) 6.755 1.914 ( 18.188 0.000 0.000) 18.188 1.918 ( -3.515 0.000 0.000) 3.515 2.070 ( 5.280 0.000 0.000) 5.280 2.182 ( 14.040 0.000 0.000) 14.040 2.655 ( -11.369 0.000 0.000) 11.369 3.013 ( -15.688 0.000 0.000) 15.688 3.016 ( 6.422 0.000 0.000) 6.422 3.193 ( -8.374 0.000 0.000) 8.374 3.284 ( -2.284 0.000 0.000) 2.284 3.323 ( 20.136 0.000 0.000) 20.136 3.393 ( 2.827 0.000 0.000) 2.827 3.651 ( 1.615 0.000 0.000) 1.615 3.662 ( 10.372 0.000 0.000) 10.372 3.725 ( 2.203 0.000 0.000) 2.203 3.770 ( -0.755 0.000 0.000) 0.755 3.851 ( 10.783 0.000 0.000) 10.783 3.910 ( 1.881 0.000 0.000) 1.881 3.947 ( 13.712 0.000 0.000) 13.712 3.983 ( 1.305 0.000 0.000) 1.305 4.179 ( 11.747 0.000 0.000) 11.747 4.415 ( 3.041 0.000 0.000) 3.041 4.437 ( 8.743 0.000 0.000) 8.743 4.511 ( 3.115 0.000 0.000) 3.115 4.513 ( -2.214 0.000 0.000) 2.214 4.629 ( 8.898 0.000 0.000) 8.898 4.735 ( 5.077 0.000 0.000) 5.077 4.821 ( 2.320 0.000 0.000) 2.320 5.019 ( 1.900 0.000 0.000) 1.900 5.337 ( 7.125 0.000 0.000) 7.125 5.404 ( 12.281 0.000 0.000) 12.281 5.614 ( 11.533 0.000 0.000) 11.533 6.447 ( -1.183 0.000 0.000) 1.183 6.695 ( -1.272 0.000 0.000) 1.272 6.899 ( -1.348 0.000 0.000) 1.348 7.096 ( 0.147 0.000 0.000) 0.147 7.222 ( -0.987 0.000 0.000) 0.987 7.535 ( 0.907 0.000 0.000) 0.907 7.618 ( -2.206 0.000 0.000) 2.206 7.619 ( 0.093 0.000 0.000) 0.093 7.707 ( -2.665 0.000 0.000) 2.665 7.838 ( -4.860 0.000 0.000) 4.860 7.898 ( 1.986 0.000 0.000) 1.986 7.928 ( -0.513 0.000 0.000) 0.513 8.443 ( -1.491 0.000 0.000) 1.491 8.567 ( 3.453 0.000 0.000) 3.453 8.820 ( -3.565 0.000 0.000) 3.565 8.868 ( 5.161 0.000 0.000) 5.161 9.316 ( -4.651 0.000 0.000) 4.651 9.351 ( -6.972 0.000 0.000) 6.972 9.554 ( 7.646 0.000 0.000) 7.646 9.677 ( 2.545 0.000 0.000) 2.545 10.037 ( -19.326 0.000 0.000) 19.326 10.326 ( 3.028 0.000 0.000) 3.028 10.405 ( -4.161 0.000 0.000) 4.161 10.605 ( -0.302 0.000 0.000) 0.302 10.640 ( -10.194 0.000 0.000) 10.194 11.020 ( 4.557 0.000 0.000) 4.557 11.087 ( -13.077 0.000 0.000) 13.077 11.305 ( 1.835 0.000 0.000) 1.835 11.888 ( 2.091 0.000 0.000) 2.091 12.398 ( -5.199 0.000 0.000) 5.199 12.772 ( -3.907 0.000 0.000) 3.907 12.884 ( -10.860 0.000 0.000) 10.860 13.343 ( 5.363 0.000 0.000) 5.363 13.632 ( -7.124 0.000 0.000) 7.124 14.370 ( -9.720 0.000 0.000) 9.720 15.125 ( -7.810 0.000 0.000) 7.810 15.186 ( -0.026 0.000 0.000) 0.026 15.210 ( 8.059 0.000 0.000) 8.059 15.674 ( -9.378 0.000 0.000) 9.378 16.163 ( -2.338 0.000 0.000) 2.338 16.325 ( 3.481 0.000 0.000) 3.481 16.532 ( 13.513 0.000 0.000) 13.513 16.756 ( 14.331 0.000 0.000) 14.331 16.984 ( -0.123 0.000 0.000) 0.123 24.282 ( 0.392 0.000 0.000) 0.392 24.470 ( 0.926 0.000 0.000) 0.926 24.507 ( -0.556 0.000 0.000) 0.556 24.598 ( -0.054 0.000 0.000) 0.054 24.734 ( 0.901 0.000 0.000) 0.901 24.883 ( -0.298 0.000 0.000) 0.298 25.148 ( -0.423 0.000 0.000) 0.423 25.494 ( -2.690 0.000 0.000) 2.690 26.832 ( -5.020 0.000 0.000) 5.020 27.118 ( -0.458 0.000 0.000) 0.458 27.274 ( -6.192 0.000 0.000) 6.192 27.277 ( 0.323 0.000 0.000) 0.323 27.325 ( -1.626 0.000 0.000) 1.626 27.635 ( 9.375 0.000 0.000) 9.375 28.071 ( -12.744 0.000 0.000) 12.744 29.092 ( 4.168 0.000 0.000) 4.168 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.061 0.000 0.000) 1.061 1.242 ( -4.024 0.000 0.000) 4.024 1.464 ( 13.801 0.000 0.000) 13.801 1.655 ( 15.878 0.000 0.000) 15.878 1.886 ( 0.896 0.000 0.000) 0.896 1.908 ( 11.340 0.000 0.000) 11.340 2.075 ( 3.423 0.000 0.000) 3.423 2.203 ( 7.596 0.000 0.000) 7.596 2.389 ( 3.808 0.000 0.000) 3.808 2.465 ( -5.859 0.000 0.000) 5.859 2.663 ( -17.832 0.000 0.000) 17.832 2.913 ( -17.164 0.000 0.000) 17.164 3.186 ( 5.624 0.000 0.000) 5.624 3.265 ( 1.955 0.000 0.000) 1.955 3.448 ( 1.939 0.000 0.000) 1.939 3.617 ( 8.926 0.000 0.000) 8.926 3.681 ( 1.286 0.000 0.000) 1.286 3.751 ( -0.901 0.000 0.000) 0.901 3.780 ( 2.510 0.000 0.000) 2.510 3.799 ( 3.974 0.000 0.000) 3.974 3.947 ( 1.275 0.000 0.000) 1.275 3.990 ( -0.312 0.000 0.000) 0.312 4.069 ( 2.353 0.000 0.000) 2.353 4.159 ( 14.687 0.000 0.000) 14.687 4.383 ( -1.695 0.000 0.000) 1.695 4.426 ( -0.444 0.000 0.000) 0.444 4.465 ( -2.167 0.000 0.000) 2.167 4.550 ( 4.472 0.000 0.000) 4.472 4.728 ( 22.030 0.000 0.000) 22.030 4.786 ( -0.599 0.000 0.000) 0.599 4.833 ( 8.019 0.000 0.000) 8.019 4.868 ( 2.779 0.000 0.000) 2.779 5.044 ( 0.338 0.000 0.000) 0.338 5.535 ( 10.878 0.000 0.000) 10.878 5.743 ( 15.655 0.000 0.000) 15.655 5.881 ( 11.051 0.000 0.000) 11.051 6.456 ( 1.536 0.000 0.000) 1.536 6.669 ( -1.213 0.000 0.000) 1.213 6.887 ( 0.006 0.000 0.000) 0.006 7.075 ( -1.693 0.000 0.000) 1.693 7.200 ( -0.979 0.000 0.000) 0.979 7.542 ( -0.162 0.000 0.000) 0.162 7.576 ( -1.612 0.000 0.000) 1.612 7.629 ( 1.839 0.000 0.000) 1.839 7.682 ( 1.511 0.000 0.000) 1.511 7.752 ( -3.055 0.000 0.000) 3.055 7.875 ( -5.170 0.000 0.000) 5.170 7.910 ( -1.472 0.000 0.000) 1.472 8.424 ( -0.521 0.000 0.000) 0.521 8.599 ( 0.313 0.000 0.000) 0.313 8.760 ( -2.094 0.000 0.000) 2.094 8.955 ( 3.077 0.000 0.000) 3.077 9.187 ( -7.822 0.000 0.000) 7.822 9.233 ( -2.682 0.000 0.000) 2.682 9.626 ( -18.642 0.000 0.000) 18.642 9.713 ( 6.962 0.000 0.000) 6.962 9.724 ( 1.790 0.000 0.000) 1.790 10.320 ( -4.426 0.000 0.000) 4.426 10.389 ( 2.469 0.000 0.000) 2.469 10.458 ( -5.882 0.000 0.000) 5.882 10.598 ( -0.259 0.000 0.000) 0.259 10.850 ( -8.923 0.000 0.000) 8.923 11.109 ( 3.601 0.000 0.000) 3.601 11.315 ( -0.483 0.000 0.000) 0.483 11.928 ( 1.606 0.000 0.000) 1.606 12.326 ( -1.983 0.000 0.000) 1.983 12.695 ( -3.127 0.000 0.000) 3.127 12.708 ( -5.860 0.000 0.000) 5.860 13.420 ( 2.202 0.000 0.000) 2.202 13.494 ( -5.452 0.000 0.000) 5.452 14.221 ( -4.740 0.000 0.000) 4.740 15.022 ( -2.729 0.000 0.000) 2.729 15.186 ( -0.021 0.000 0.000) 0.021 15.347 ( 4.835 0.000 0.000) 4.835 15.498 ( -6.850 0.000 0.000) 6.850 16.119 ( -1.696 0.000 0.000) 1.696 16.384 ( 2.144 0.000 0.000) 2.144 16.752 ( 7.480 0.000 0.000) 7.480 16.978 ( -0.337 0.000 0.000) 0.337 16.986 ( 7.747 0.000 0.000) 7.747 24.291 ( 0.401 0.000 0.000) 0.401 24.487 ( 0.671 0.000 0.000) 0.671 24.495 ( -0.537 0.000 0.000) 0.537 24.608 ( 0.791 0.000 0.000) 0.791 24.741 ( -0.085 0.000 0.000) 0.085 24.878 ( -0.218 0.000 0.000) 0.218 25.164 ( 2.038 0.000 0.000) 2.038 25.410 ( -4.991 0.000 0.000) 4.991 26.754 ( -2.538 0.000 0.000) 2.538 27.109 ( -0.370 0.000 0.000) 0.370 27.164 ( -4.108 0.000 0.000) 4.108 27.284 ( 0.270 0.000 0.000) 0.270 27.293 ( -1.270 0.000 0.000) 1.270 27.788 ( 5.276 0.000 0.000) 5.276 27.853 ( -7.643 0.000 0.000) 7.643 29.165 ( 2.642 0.000 0.000) 2.642 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.134 ( -0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.525 ( -0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.716 ( -0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.743 ( -0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.037 ( -0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.728 ( -0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.850 ( -0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.661 ( 0.000 0.000 0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.398 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.829 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 17.066 ( 0.000 0.000 0.000) 0.000 24.295 ( 0.000 0.000 0.000) 0.000 24.488 ( 0.000 0.000 0.000) 0.000 24.495 ( 0.000 0.000 0.000) 0.000 24.619 ( -0.000 0.000 0.000) 0.000 24.738 ( 0.000 0.000 0.000) 0.000 24.875 ( 0.000 0.000 0.000) 0.000 25.204 ( 0.000 0.000 0.000) 0.000 25.337 ( 0.000 0.000 0.000) 0.000 26.728 ( 0.000 0.000 0.000) 0.000 27.105 ( 0.000 0.000 0.000) 0.000 27.120 ( 0.000 0.000 0.000) 0.000 27.279 ( 0.000 0.000 0.000) 0.000 27.287 ( 0.000 0.000 0.000) 0.000 27.774 ( 0.000 0.000 0.000) 0.000 27.843 ( 0.000 0.000 0.000) 0.000 29.193 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 27.479 0.000) 27.479 0.602 ( 0.000 29.536 0.000) 29.536 1.129 ( 0.000 52.686 0.000) 52.686 1.470 ( 0.000 24.421 0.000) 24.421 1.595 ( 0.000 1.768 0.000) 1.768 1.884 ( 0.000 2.155 0.000) 2.155 2.037 ( 0.000 4.376 0.000) 4.376 2.257 ( 0.000 7.193 0.000) 7.193 2.278 ( 0.000 4.283 0.000) 4.283 2.671 ( 0.000 3.251 0.000) 3.251 2.879 ( 0.000 -2.705 0.000) 2.705 2.970 ( 0.000 -4.782 0.000) 4.782 3.062 ( 0.000 -1.167 0.000) 1.167 3.198 ( 0.000 -3.860 0.000) 3.860 3.200 ( 0.000 -1.465 0.000) 1.465 3.296 ( 0.000 -8.618 0.000) 8.618 3.333 ( 0.000 -4.699 0.000) 4.699 3.376 ( 0.000 -1.560 0.000) 1.560 3.641 ( 0.000 2.862 0.000) 2.862 3.648 ( 0.000 -8.282 0.000) 8.282 3.719 ( 0.000 -3.278 0.000) 3.278 3.870 ( 0.000 0.879 0.000) 0.879 3.872 ( 0.000 3.971 0.000) 3.971 3.953 ( 0.000 0.468 0.000) 0.468 4.038 ( 0.000 6.750 0.000) 6.750 4.101 ( 0.000 -1.694 0.000) 1.694 4.141 ( 0.000 -5.871 0.000) 5.871 4.145 ( 0.000 0.605 0.000) 0.605 4.633 ( 0.000 1.330 0.000) 1.330 4.646 ( 0.000 7.549 0.000) 7.549 4.686 ( 0.000 -7.006 0.000) 7.006 4.800 ( 0.000 1.760 0.000) 1.760 4.860 ( 0.000 -1.161 0.000) 1.161 5.004 ( 0.000 2.051 0.000) 2.051 5.217 ( 0.000 -7.141 0.000) 7.141 5.359 ( 0.000 -4.611 0.000) 4.611 6.626 ( 0.000 6.078 0.000) 6.078 6.764 ( 0.000 3.665 0.000) 3.665 7.039 ( 0.000 1.261 0.000) 1.261 7.244 ( 0.000 0.211 0.000) 0.211 7.536 ( 0.000 4.866 0.000) 4.866 7.537 ( 0.000 -4.574 0.000) 4.574 7.668 ( 0.000 -5.132 0.000) 5.132 7.734 ( 0.000 3.965 0.000) 3.965 7.808 ( 0.000 0.587 0.000) 0.587 7.821 ( 0.000 2.243 0.000) 2.243 7.894 ( 0.000 -1.345 0.000) 1.345 8.369 ( 0.000 -0.897 0.000) 0.897 8.546 ( 0.000 0.809 0.000) 0.809 8.591 ( 0.000 -2.044 0.000) 2.044 8.607 ( 0.000 -4.010 0.000) 4.010 8.778 ( 0.000 9.088 0.000) 9.088 8.999 ( 0.000 6.358 0.000) 6.358 9.296 ( 0.000 -13.279 0.000) 13.279 9.450 ( 0.000 -3.595 0.000) 3.595 9.604 ( 0.000 -0.914 0.000) 0.914 9.702 ( 0.000 1.139 0.000) 1.139 10.305 ( 0.000 1.381 0.000) 1.381 10.466 ( 0.000 -6.221 0.000) 6.221 10.575 ( 0.000 2.545 0.000) 2.545 10.836 ( 0.000 -6.387 0.000) 6.387 10.859 ( 0.000 -2.549 0.000) 2.549 11.138 ( 0.000 -7.612 0.000) 7.612 11.331 ( 0.000 -5.153 0.000) 5.153 11.893 ( 0.000 6.122 0.000) 6.122 12.838 ( 0.000 -2.863 0.000) 2.863 13.129 ( 0.000 0.787 0.000) 0.787 13.261 ( 0.000 -6.318 0.000) 6.318 13.352 ( 0.000 11.360 0.000) 11.360 14.008 ( 0.000 16.667 0.000) 16.667 14.665 ( 0.000 -6.012 0.000) 6.012 14.978 ( 0.000 0.375 0.000) 0.375 15.154 ( 0.000 -3.022 0.000) 3.022 15.265 ( 0.000 1.864 0.000) 1.864 15.533 ( 0.000 -3.722 0.000) 3.722 15.984 ( 0.000 -6.325 0.000) 6.325 16.069 ( 0.000 0.430 0.000) 0.430 16.219 ( 0.000 -0.377 0.000) 0.377 16.262 ( 0.000 8.201 0.000) 8.201 16.962 ( 0.000 -1.727 0.000) 1.727 24.277 ( 0.000 0.382 0.000) 0.382 24.498 ( 0.000 0.238 0.000) 0.238 24.516 ( 0.000 4.056 0.000) 4.056 24.607 ( 0.000 -1.784 0.000) 1.784 24.640 ( 0.000 -0.910 0.000) 0.910 24.892 ( 0.000 0.035 0.000) 0.035 25.560 ( 0.000 4.043 0.000) 4.043 26.151 ( 0.000 -1.668 0.000) 1.668 27.024 ( 0.000 -2.825 0.000) 2.825 27.128 ( 0.000 -6.482 0.000) 6.482 27.212 ( 0.000 6.204 0.000) 6.204 27.280 ( 0.000 -4.607 0.000) 4.607 27.416 ( 0.000 6.577 0.000) 6.577 27.418 ( 0.000 -2.661 0.000) 2.661 27.640 ( 0.000 10.029 0.000) 10.029 28.640 ( 0.000 -7.190 0.000) 7.190 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 16.633 19.338 0.000) 25.507 0.942 ( 20.145 22.729 0.000) 30.372 1.451 ( -1.520 22.965 0.000) 23.015 1.494 ( 30.468 31.208 0.000) 43.615 1.643 ( 4.420 2.765 0.000) 5.214 1.805 ( -14.733 9.725 0.000) 17.653 1.932 ( 1.443 0.708 0.000) 1.607 2.115 ( -2.984 7.435 0.000) 8.012 2.281 ( -0.016 14.937 0.000) 14.937 2.829 ( -5.505 -3.144 0.000) 6.339 2.895 ( 19.152 2.506 0.000) 19.315 2.896 ( -1.552 -5.144 0.000) 5.373 3.168 ( 2.098 -5.561 0.000) 5.943 3.251 ( 1.762 -1.823 0.000) 2.536 3.257 ( -6.064 -1.975 0.000) 6.378 3.312 ( 6.588 -5.824 0.000) 8.793 3.417 ( 8.085 -9.500 0.000) 12.475 3.429 ( 6.814 -1.305 0.000) 6.938 3.659 ( 2.133 -7.184 0.000) 7.494 3.690 ( 1.690 0.435 0.000) 1.745 3.744 ( 4.250 0.258 0.000) 4.258 3.793 ( 0.318 2.545 0.000) 2.565 3.941 ( -0.021 3.946 0.000) 3.946 3.967 ( 3.939 2.278 0.000) 4.551 4.098 ( 0.223 -0.066 0.000) 0.232 4.178 ( 13.711 2.343 0.000) 13.909 4.220 ( 6.701 -9.177 0.000) 11.363 4.286 ( 9.488 1.220 0.000) 9.566 4.610 ( -3.839 3.984 0.000) 5.532 4.647 ( -0.121 6.889 0.000) 6.890 4.669 ( 1.772 2.204 0.000) 2.828 4.728 ( 3.421 -5.394 0.000) 6.388 4.953 ( 2.568 -2.148 0.000) 3.348 5.171 ( 5.850 -5.995 0.000) 8.376 5.296 ( 8.797 -8.027 0.000) 11.909 5.313 ( -2.403 -2.870 0.000) 3.743 6.561 ( -4.540 5.086 0.000) 6.818 6.761 ( -0.689 3.884 0.000) 3.945 7.081 ( 2.901 1.781 0.000) 3.405 7.236 ( -1.827 1.111 0.000) 2.139 7.282 ( -17.617 12.352 0.000) 21.516 7.547 ( 0.756 -4.043 0.000) 4.113 7.605 ( -0.343 8.272 0.000) 8.279 7.721 ( -1.027 3.910 0.000) 4.043 7.780 ( -1.076 2.068 0.000) 2.331 7.843 ( 1.129 -0.493 0.000) 1.231 7.894 ( -0.038 -2.396 0.000) 2.396 7.965 ( -9.945 4.577 0.000) 10.947 8.382 ( 0.759 -3.129 0.000) 3.220 8.599 ( 4.250 5.234 0.000) 6.742 8.803 ( 2.379 5.460 0.000) 5.956 8.915 ( -1.693 1.047 0.000) 1.991 9.206 ( 3.114 -11.373 0.000) 11.791 9.399 ( -4.312 -4.203 0.000) 6.022 9.432 ( 6.915 -8.165 0.000) 10.700 9.643 ( 3.187 0.338 0.000) 3.204 9.844 ( 3.517 -19.427 0.000) 19.743 10.358 ( 4.138 -0.896 0.000) 4.234 10.449 ( -1.761 -4.319 0.000) 4.664 10.599 ( 1.675 3.199 0.000) 3.611 10.792 ( -6.177 -2.665 0.000) 6.727 10.845 ( 0.818 -8.359 0.000) 8.399 11.174 ( 2.948 -9.332 0.000) 9.786 11.261 ( -7.162 -5.494 0.000) 9.027 11.902 ( 0.758 5.638 0.000) 5.689 12.756 ( -24.489 11.430 0.000) 27.025 12.812 ( -2.469 -2.826 0.000) 3.753 13.191 ( 3.880 -1.216 0.000) 4.066 13.246 ( -9.146 11.912 0.000) 15.018 13.962 ( -4.303 15.903 0.000) 16.475 14.533 ( -10.687 -5.983 0.000) 12.248 15.051 ( 6.616 0.426 0.000) 6.630 15.175 ( 1.271 -1.194 0.000) 1.744 15.295 ( -12.090 -4.996 0.000) 13.082 15.756 ( 12.650 -6.415 0.000) 14.184 16.081 ( 7.039 -7.055 0.000) 9.966 16.188 ( 2.987 -1.323 0.000) 3.267 16.235 ( 8.164 -0.185 0.000) 8.166 16.407 ( 14.371 1.649 0.000) 14.466 16.967 ( 0.266 -1.792 0.000) 1.812 24.278 ( 0.116 0.313 0.000) 0.334 24.496 ( -0.187 -0.606 0.000) 0.634 24.519 ( 0.284 4.656 0.000) 4.664 24.591 ( -0.583 -1.297 0.000) 1.422 24.678 ( 2.191 -1.896 0.000) 2.897 24.889 ( -0.233 0.007 0.000) 0.233 25.491 ( -11.690 10.600 0.000) 15.780 25.632 ( -11.953 14.387 0.000) 18.705 26.941 ( -6.021 -1.447 0.000) 6.193 27.102 ( -1.254 -3.649 0.000) 3.858 27.271 ( 2.835 3.064 0.000) 4.175 27.346 ( -2.356 -4.035 0.000) 4.672 27.362 ( -2.524 -0.477 0.000) 2.569 27.501 ( 7.609 5.292 0.000) 9.268 28.101 ( 10.257 -13.768 0.000) 17.169 28.706 ( 8.970 -14.386 0.000) 16.954 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 16.729 10.834 0.000) 19.931 1.333 ( 16.048 16.111 0.000) 22.740 1.426 ( 0.056 21.037 0.000) 21.037 1.534 ( -8.172 6.085 0.000) 10.188 1.767 ( 7.606 4.310 0.000) 8.743 1.947 ( -0.913 4.276 0.000) 4.372 1.975 ( 11.552 5.421 0.000) 12.760 2.110 ( 3.571 6.917 0.000) 7.785 2.388 ( 5.024 10.461 0.000) 11.605 2.671 ( -5.942 3.684 0.000) 6.992 2.943 ( 4.673 -3.945 0.000) 6.116 3.008 ( -12.402 -0.358 0.000) 12.407 3.152 ( -2.348 -8.262 0.000) 8.589 3.274 ( -1.739 4.281 0.000) 4.621 3.364 ( 2.433 -3.697 0.000) 4.426 3.365 ( 17.054 3.533 0.000) 17.416 3.562 ( 6.062 -7.937 0.000) 9.987 3.647 ( 11.680 -3.171 0.000) 12.103 3.703 ( 0.895 0.211 0.000) 0.920 3.744 ( -0.605 -3.037 0.000) 3.097 3.764 ( 9.022 -6.027 0.000) 10.850 3.981 ( 3.029 6.190 0.000) 6.891 3.992 ( 5.081 2.558 0.000) 5.688 4.059 ( 6.058 6.061 0.000) 8.570 4.136 ( 8.985 -4.314 0.000) 9.967 4.381 ( 8.797 -6.202 0.000) 10.764 4.433 ( 3.840 2.237 0.000) 4.444 4.477 ( 11.831 2.494 0.000) 12.091 4.602 ( 4.346 -0.793 0.000) 4.418 4.613 ( -3.430 4.355 0.000) 5.544 4.751 ( 4.787 0.975 0.000) 4.885 4.803 ( 3.311 -2.701 0.000) 4.273 5.011 ( 2.930 -0.897 0.000) 3.065 5.301 ( 8.840 -3.308 0.000) 9.438 5.392 ( 12.092 -1.322 0.000) 12.164 5.517 ( 13.338 -7.289 0.000) 15.200 6.491 ( -1.795 4.075 0.000) 4.453 6.736 ( -1.609 3.453 0.000) 3.809 7.024 ( -7.057 8.941 0.000) 11.390 7.119 ( 0.420 2.527 0.000) 2.561 7.221 ( -1.227 -0.171 0.000) 1.239 7.553 ( -0.336 -3.098 0.000) 3.116 7.603 ( -0.334 6.138 0.000) 6.147 7.697 ( -1.286 3.983 0.000) 4.186 7.747 ( -2.233 3.404 0.000) 4.071 7.813 ( -5.069 -1.823 0.000) 5.386 7.884 ( 0.980 -1.116 0.000) 1.485 7.890 ( -0.527 -3.553 0.000) 3.592 8.389 ( -0.210 -3.485 0.000) 3.491 8.664 ( 1.430 8.119 0.000) 8.244 8.865 ( 1.457 -0.170 0.000) 1.467 8.865 ( -1.358 2.568 0.000) 2.905 9.203 ( -2.173 -9.764 0.000) 10.003 9.294 ( -5.372 -2.794 0.000) 6.055 9.533 ( 2.934 -7.813 0.000) 8.345 9.714 ( 3.290 1.928 0.000) 3.813 9.757 ( -8.160 -11.900 0.000) 14.429 10.396 ( -3.223 -1.199 0.000) 3.439 10.406 ( 1.293 1.046 0.000) 1.663 10.619 ( -9.795 -1.955 0.000) 9.989 10.623 ( 0.544 3.228 0.000) 3.274 10.881 ( 2.531 -12.993 0.000) 13.238 11.051 ( -11.988 -3.382 0.000) 12.456 11.228 ( 1.467 -10.686 0.000) 10.786 11.920 ( 0.978 4.338 0.000) 4.447 12.414 ( -10.535 4.655 0.000) 11.518 12.745 ( -3.851 -2.727 0.000) 4.719 13.040 ( -9.471 13.548 0.000) 16.530 13.275 ( 3.675 -4.564 0.000) 5.860 13.841 ( -7.038 15.563 0.000) 17.081 14.316 ( -9.239 -5.183 0.000) 10.593 15.079 ( -7.773 -4.345 0.000) 8.905 15.174 ( 1.833 -0.682 0.000) 1.956 15.225 ( 6.094 0.837 0.000) 6.151 15.744 ( -7.078 6.404 0.000) 9.545 16.169 ( -1.611 0.653 0.000) 1.739 16.260 ( 7.793 -5.101 0.000) 9.314 16.496 ( 12.705 -3.293 0.000) 13.125 16.727 ( 14.453 -2.088 0.000) 14.604 16.968 ( -0.153 -1.839 0.000) 1.845 24.282 ( 0.297 0.148 0.000) 0.332 24.489 ( -0.475 -1.357 0.000) 1.438 24.527 ( 0.505 4.850 0.000) 4.876 24.589 ( 0.414 -0.640 0.000) 0.762 24.712 ( 1.071 -1.951 0.000) 2.226 24.883 ( -0.340 -0.063 0.000) 0.346 25.282 ( -5.700 10.460 0.000) 11.912 25.536 ( -3.935 3.884 0.000) 5.529 26.827 ( -4.697 -0.434 0.000) 4.717 27.078 ( -1.066 -4.032 0.000) 4.170 27.245 ( -5.506 -2.568 0.000) 6.076 27.313 ( 1.516 4.211 0.000) 4.476 27.322 ( -2.267 -0.775 0.000) 2.396 27.675 ( 8.282 3.124 0.000) 8.851 28.041 ( -8.632 -1.944 0.000) 8.848 28.908 ( 8.189 -14.881 0.000) 16.985 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -5.370 6.299 0.000) 8.277 1.321 ( 0.464 16.749 0.000) 16.756 1.550 ( 9.303 8.123 0.000) 12.350 1.753 ( 15.367 7.086 0.000) 16.922 1.930 ( -0.070 5.949 0.000) 5.949 1.967 ( 12.305 6.450 0.000) 13.893 2.113 ( 4.371 -3.277 0.000) 5.463 2.181 ( 2.340 7.239 0.000) 7.608 2.357 ( -3.831 -1.253 0.000) 4.031 2.601 ( -2.464 5.011 0.000) 5.584 2.701 ( -16.234 3.657 0.000) 16.640 2.901 ( -9.415 0.737 0.000) 9.444 3.146 ( 0.962 -5.234 0.000) 5.322 3.295 ( 3.978 4.630 0.000) 6.104 3.407 ( 1.367 -2.040 0.000) 2.455 3.582 ( 4.775 -4.754 0.000) 6.738 3.684 ( 4.151 -0.078 0.000) 4.152 3.724 ( 1.296 -1.821 0.000) 2.235 3.754 ( 2.292 -1.178 0.000) 2.577 3.813 ( 5.426 -5.696 0.000) 7.867 3.968 ( 3.325 4.891 0.000) 5.915 4.008 ( -1.180 1.399 0.000) 1.830 4.086 ( 3.971 -0.374 0.000) 3.989 4.086 ( 6.110 -1.017 0.000) 6.194 4.330 ( 3.511 -4.097 0.000) 5.396 4.461 ( -4.258 -0.624 0.000) 4.304 4.493 ( 3.387 4.799 0.000) 5.874 4.583 ( 1.755 2.774 0.000) 3.283 4.750 ( 3.082 -1.987 0.000) 3.667 4.776 ( 20.979 4.692 0.000) 21.497 4.835 ( 5.128 -0.269 0.000) 5.135 4.859 ( 2.741 -1.601 0.000) 3.174 5.066 ( 2.155 1.493 0.000) 2.621 5.526 ( 12.272 -1.058 0.000) 12.317 5.721 ( 15.552 -2.626 0.000) 15.772 5.812 ( 11.935 -5.208 0.000) 13.022 6.487 ( 0.999 3.203 0.000) 3.355 6.700 ( -1.711 2.555 0.000) 3.075 6.938 ( -2.181 4.114 0.000) 4.657 7.104 ( -1.456 3.291 0.000) 3.599 7.196 ( -0.899 -0.409 0.000) 0.987 7.539 ( -0.718 -2.542 0.000) 2.641 7.588 ( -0.879 4.340 0.000) 4.428 7.680 ( 0.388 3.253 0.000) 3.277 7.713 ( -0.557 1.421 0.000) 1.527 7.726 ( -2.351 -1.170 0.000) 2.626 7.852 ( -3.745 -2.476 0.000) 4.490 7.894 ( -0.724 -1.494 0.000) 1.660 8.370 ( -1.528 -3.853 0.000) 4.145 8.672 ( -0.064 7.531 0.000) 7.532 8.808 ( -2.903 3.611 0.000) 4.633 8.880 ( -1.414 -7.905 0.000) 8.031 9.151 ( -2.084 -7.686 0.000) 7.963 9.208 ( -2.423 3.206 0.000) 4.019 9.403 ( -12.433 -15.763 0.000) 20.077 9.734 ( 4.278 1.506 0.000) 4.535 9.767 ( 1.740 2.518 0.000) 3.061 10.319 ( -4.408 -0.007 0.000) 4.408 10.444 ( 2.411 2.096 0.000) 3.194 10.446 ( -5.455 -1.120 0.000) 5.568 10.621 ( -0.706 2.606 0.000) 2.700 10.826 ( -8.647 -2.084 0.000) 8.895 10.937 ( 2.469 -16.254 0.000) 16.440 11.231 ( -0.794 -10.686 0.000) 10.715 11.938 ( 0.683 2.910 0.000) 2.989 12.274 ( -3.855 -0.300 0.000) 3.867 12.669 ( -3.065 -2.587 0.000) 4.011 12.892 ( -4.758 15.307 0.000) 16.030 13.335 ( 2.248 -6.472 0.000) 6.851 13.699 ( -6.051 15.446 0.000) 16.589 14.175 ( -4.455 -4.463 0.000) 6.307 14.978 ( -2.574 -4.236 0.000) 4.957 15.183 ( 0.041 -0.163 0.000) 0.168 15.344 ( 4.265 -0.384 0.000) 4.282 15.594 ( -6.217 8.967 0.000) 10.912 16.140 ( -1.032 2.120 0.000) 2.358 16.377 ( 3.763 -0.539 0.000) 3.801 16.706 ( 7.207 -4.338 0.000) 8.412 16.951 ( 4.005 -2.342 0.000) 4.639 16.970 ( 3.437 -1.979 0.000) 3.966 24.289 ( 0.338 -0.022 0.000) 0.339 24.478 ( -0.492 -1.487 0.000) 1.566 24.537 ( 0.399 4.461 0.000) 4.479 24.604 ( 0.829 -0.329 0.000) 0.892 24.724 ( 0.181 -1.581 0.000) 1.591 24.877 ( -0.248 -0.136 0.000) 0.283 25.233 ( 0.417 5.968 0.000) 5.983 25.435 ( -5.559 2.211 0.000) 5.983 26.753 ( -2.412 -0.028 0.000) 2.412 27.060 ( -0.628 -4.471 0.000) 4.515 27.146 ( -3.688 -1.528 0.000) 3.992 27.278 ( -1.731 -1.623 0.000) 2.372 27.337 ( 0.780 5.214 0.000) 5.272 27.813 ( 4.831 1.919 0.000) 5.198 27.879 ( -5.993 2.817 0.000) 6.622 29.028 ( 3.754 -12.291 0.000) 12.852 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 5.525 0.000) 5.525 1.317 ( -0.000 18.342 0.000) 18.342 1.649 ( 0.000 4.217 0.000) 4.217 1.925 ( -0.000 11.079 0.000) 11.079 1.931 ( 0.000 0.968 0.000) 0.968 2.180 ( 0.000 -10.977 0.000) 10.977 2.191 ( -0.000 6.100 0.000) 6.100 2.202 ( -0.000 8.243 0.000) 8.243 2.320 ( 0.000 -0.607 0.000) 0.607 2.441 ( 0.000 6.108 0.000) 6.108 2.567 ( -0.000 -1.570 0.000) 1.570 2.760 ( 0.000 11.512 0.000) 11.512 3.154 ( 0.000 -5.116 0.000) 5.116 3.345 ( -0.000 2.596 0.000) 2.596 3.421 ( 0.000 -1.974 0.000) 1.974 3.627 ( -0.000 -6.328 0.000) 6.328 3.699 ( -0.000 -3.319 0.000) 3.319 3.751 ( 0.000 2.278 0.000) 2.278 3.804 ( 0.000 0.547 0.000) 0.547 3.877 ( 0.000 -10.104 0.000) 10.104 3.975 ( 0.000 10.305 0.000) 10.305 3.984 ( -0.000 -0.146 0.000) 0.146 4.089 ( 0.000 -0.925 0.000) 0.925 4.206 ( 0.000 -2.116 0.000) 2.116 4.356 ( 0.000 1.032 0.000) 1.032 4.406 ( 0.000 -2.703 0.000) 2.703 4.548 ( 0.000 6.518 0.000) 6.518 4.602 ( 0.000 -2.545 0.000) 2.545 4.746 ( 0.000 0.340 0.000) 0.340 4.877 ( 0.000 -0.342 0.000) 0.342 4.927 ( 0.000 -1.912 0.000) 1.912 5.041 ( 0.000 3.396 0.000) 3.396 5.088 ( -0.000 3.337 0.000) 3.337 5.703 ( -0.000 1.600 0.000) 1.600 5.894 ( 0.000 -2.555 0.000) 2.555 5.915 ( 0.000 -4.940 0.000) 4.940 6.504 ( 0.000 2.862 0.000) 2.862 6.678 ( 0.000 1.899 0.000) 1.899 6.916 ( 0.000 2.292 0.000) 2.292 7.084 ( 0.000 3.639 0.000) 3.639 7.188 ( -0.000 -0.221 0.000) 0.221 7.532 ( 0.000 -2.380 0.000) 2.380 7.579 ( 0.000 3.915 0.000) 3.915 7.689 ( 0.000 -2.723 0.000) 2.723 7.738 ( -0.000 0.478 0.000) 0.478 7.749 ( 0.000 0.671 0.000) 0.671 7.752 ( 0.000 -0.494 0.000) 0.494 7.862 ( -0.000 0.692 0.000) 0.692 8.348 ( 0.000 -4.719 0.000) 4.719 8.671 ( 0.000 7.199 0.000) 7.199 8.766 ( 0.000 1.000 0.000) 1.000 8.853 ( 0.000 -9.715 0.000) 9.715 9.135 ( 0.000 -7.802 0.000) 7.802 9.188 ( 0.000 5.908 0.000) 5.908 9.244 ( 0.000 -9.709 0.000) 9.709 9.784 ( 0.000 2.477 0.000) 2.477 9.790 ( 0.000 0.054 0.000) 0.054 10.258 ( 0.000 0.298 0.000) 0.298 10.399 ( 0.000 -0.842 0.000) 0.842 10.479 ( -0.000 3.616 0.000) 3.616 10.607 ( 0.000 0.972 0.000) 0.972 10.732 ( 0.000 -1.506 0.000) 1.506 10.965 ( 0.000 -17.366 0.000) 17.366 11.218 ( 0.000 -10.718 0.000) 10.718 11.946 ( 0.000 2.312 0.000) 2.312 12.237 ( 0.000 -1.857 0.000) 1.857 12.635 ( 0.000 -2.509 0.000) 2.509 12.844 ( 0.000 16.008 0.000) 16.008 13.362 ( 0.000 -7.473 0.000) 7.473 13.628 ( 0.000 15.836 0.000) 15.836 14.130 ( 0.000 -4.197 0.000) 4.197 14.954 ( -0.000 -4.157 0.000) 4.157 15.183 ( 0.000 -0.137 0.000) 0.137 15.389 ( -0.000 -0.977 0.000) 0.977 15.526 ( -0.000 9.683 0.000) 9.683 16.129 ( 0.000 2.847 0.000) 2.847 16.416 ( 0.000 0.796 0.000) 0.796 16.781 ( 0.000 -4.607 0.000) 4.607 16.955 ( 0.000 -1.989 0.000) 1.989 17.042 ( 0.000 -2.364 0.000) 2.364 24.293 ( -0.000 -0.094 0.000) 0.094 24.473 ( 0.000 -1.481 0.000) 1.481 24.541 ( 0.000 4.252 0.000) 4.252 24.614 ( -0.000 -0.360 0.000) 0.360 24.725 ( -0.000 -1.296 0.000) 1.296 24.874 ( 0.000 -0.166 0.000) 0.166 25.261 ( 0.000 4.992 0.000) 4.992 25.352 ( -0.000 1.407 0.000) 1.407 26.729 ( 0.000 0.094 0.000) 0.094 27.053 ( 0.000 -4.610 0.000) 4.610 27.107 ( 0.000 -1.122 0.000) 1.122 27.260 ( 0.000 -1.938 0.000) 1.938 27.345 ( -0.000 5.555 0.000) 5.555 27.816 ( 0.000 4.238 0.000) 4.238 27.864 ( 0.000 1.539 0.000) 1.539 29.067 ( 0.000 -11.640 0.000) 11.640 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 21.545 0.000) 21.545 1.191 ( 0.000 28.343 0.000) 28.343 1.630 ( 0.000 1.063 0.000) 1.063 1.932 ( 0.000 2.564 0.000) 2.564 2.018 ( 0.000 23.789 0.000) 23.789 2.031 ( 0.000 28.457 0.000) 28.457 2.145 ( 0.000 12.408 0.000) 12.408 2.386 ( 0.000 4.169 0.000) 4.169 2.414 ( 0.000 8.815 0.000) 8.815 2.754 ( 0.000 4.499 0.000) 4.499 2.769 ( 0.000 -7.608 0.000) 7.608 2.996 ( 0.000 9.438 0.000) 9.438 3.034 ( 0.000 -1.524 0.000) 1.524 3.086 ( 0.000 -6.899 0.000) 6.899 3.119 ( 0.000 -8.265 0.000) 8.265 3.180 ( 0.000 -0.897 0.000) 0.897 3.209 ( 0.000 -7.675 0.000) 7.675 3.309 ( 0.000 -2.428 0.000) 2.428 3.451 ( 0.000 -10.234 0.000) 10.234 3.640 ( 0.000 -4.461 0.000) 4.461 3.656 ( 0.000 -1.401 0.000) 1.401 3.874 ( 0.000 -0.350 0.000) 0.350 3.931 ( 0.000 0.750 0.000) 0.750 3.977 ( 0.000 1.915 0.000) 1.915 4.037 ( 0.000 -2.545 0.000) 2.545 4.086 ( 0.000 0.114 0.000) 0.114 4.134 ( 0.000 -1.662 0.000) 1.662 4.220 ( 0.000 10.549 0.000) 10.549 4.480 ( 0.000 -13.983 0.000) 13.983 4.681 ( 0.000 3.483 0.000) 3.483 4.810 ( 0.000 -4.762 0.000) 4.762 4.827 ( 0.000 9.669 0.000) 9.669 4.851 ( 0.000 3.235 0.000) 3.235 4.984 ( 0.000 -4.616 0.000) 4.616 5.083 ( 0.000 -4.145 0.000) 4.145 5.257 ( 0.000 -5.021 0.000) 5.021 6.753 ( 0.000 5.747 0.000) 5.747 6.850 ( 0.000 3.916 0.000) 3.916 7.083 ( 0.000 3.305 0.000) 3.305 7.253 ( 0.000 0.954 0.000) 0.954 7.434 ( 0.000 -5.571 0.000) 5.571 7.538 ( 0.000 -7.236 0.000) 7.236 7.658 ( 0.000 6.238 0.000) 6.238 7.804 ( 0.000 2.607 0.000) 2.607 7.816 ( 0.000 0.128 0.000) 0.128 7.859 ( 0.000 -1.756 0.000) 1.756 7.894 ( 0.000 5.375 0.000) 5.375 8.360 ( 0.000 0.207 0.000) 0.207 8.482 ( 0.000 -8.429 0.000) 8.429 8.542 ( 0.000 -1.878 0.000) 1.878 8.558 ( 0.000 -0.688 0.000) 0.688 8.974 ( 0.000 -16.047 0.000) 16.047 9.036 ( 0.000 15.847 0.000) 15.847 9.183 ( 0.000 11.554 0.000) 11.554 9.381 ( 0.000 -2.023 0.000) 2.023 9.572 ( 0.000 -2.179 0.000) 2.179 9.732 ( 0.000 0.544 0.000) 0.544 10.250 ( 0.000 -15.337 0.000) 15.337 10.343 ( 0.000 2.281 0.000) 2.281 10.613 ( 0.000 -0.008 0.000) 0.008 10.713 ( 0.000 -4.226 0.000) 4.226 10.792 ( 0.000 -3.783 0.000) 3.783 10.944 ( 0.000 -9.191 0.000) 9.191 11.192 ( 0.000 -8.155 0.000) 8.155 12.085 ( 0.000 12.165 0.000) 12.165 12.748 ( 0.000 -6.154 0.000) 6.154 13.145 ( 0.000 0.646 0.000) 0.646 13.174 ( 0.000 -2.293 0.000) 2.293 13.636 ( 0.000 15.560 0.000) 15.560 14.378 ( 0.000 18.925 0.000) 18.925 14.494 ( 0.000 -10.606 0.000) 10.606 14.986 ( 0.000 0.314 0.000) 0.314 15.080 ( 0.000 -3.795 0.000) 3.795 15.264 ( 0.000 -4.592 0.000) 4.592 15.474 ( 0.000 0.456 0.000) 0.456 15.850 ( 0.000 -6.973 0.000) 6.973 16.089 ( 0.000 1.568 0.000) 1.568 16.204 ( 0.000 -1.163 0.000) 1.163 16.443 ( 0.000 9.519 0.000) 9.519 16.905 ( 0.000 -4.036 0.000) 4.036 24.294 ( 0.000 1.451 0.000) 1.451 24.458 ( 0.000 -2.669 0.000) 2.669 24.573 ( 0.000 -1.240 0.000) 1.240 24.615 ( 0.000 -1.505 0.000) 1.505 24.651 ( 0.000 7.089 0.000) 7.089 24.886 ( 0.000 -0.756 0.000) 0.756 25.670 ( 0.000 6.530 0.000) 6.530 26.090 ( 0.000 -4.502 0.000) 4.502 26.972 ( 0.000 -2.228 0.000) 2.228 27.016 ( 0.000 -4.439 0.000) 4.439 27.216 ( 0.000 -1.628 0.000) 1.628 27.347 ( 0.000 -4.081 0.000) 4.081 27.355 ( 0.000 7.389 0.000) 7.389 27.523 ( 0.000 3.660 0.000) 3.660 27.855 ( 0.000 10.774 0.000) 10.774 28.460 ( 0.000 -9.803 0.000) 9.803 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 8.913 18.447 0.000) 20.487 1.400 ( 15.115 22.633 0.000) 27.216 1.661 ( 2.635 1.361 0.000) 2.966 1.934 ( -10.211 1.747 0.000) 10.360 1.947 ( -1.359 5.358 0.000) 5.528 2.023 ( -0.027 28.042 0.000) 28.042 2.162 ( 6.956 25.766 0.000) 26.688 2.301 ( -3.203 10.151 0.000) 10.645 2.488 ( 1.279 2.364 0.000) 2.687 2.751 ( -2.322 -7.474 0.000) 7.826 2.907 ( 0.530 9.684 0.000) 9.699 2.944 ( 13.581 1.586 0.000) 13.673 3.027 ( -2.792 -7.002 0.000) 7.538 3.161 ( 4.507 -5.812 0.000) 7.355 3.216 ( 5.171 -2.339 0.000) 5.676 3.227 ( 5.867 -8.813 0.000) 10.587 3.273 ( 5.945 0.398 0.000) 5.958 3.391 ( 7.677 -0.102 0.000) 7.678 3.494 ( 4.853 -6.691 0.000) 8.266 3.647 ( 0.811 -3.797 0.000) 3.882 3.730 ( 2.200 -0.933 0.000) 2.390 3.850 ( 4.081 1.376 0.000) 4.307 3.977 ( 4.583 -2.614 0.000) 5.276 4.027 ( 4.931 3.979 0.000) 6.336 4.046 ( 1.415 -2.861 0.000) 3.192 4.128 ( 2.830 0.292 0.000) 2.845 4.275 ( 10.836 -1.294 0.000) 10.913 4.293 ( 7.347 7.404 0.000) 10.430 4.547 ( 6.007 -11.861 0.000) 13.295 4.687 ( -0.794 3.823 0.000) 3.904 4.742 ( -1.359 3.916 0.000) 4.145 4.800 ( -2.715 8.307 0.000) 8.740 4.887 ( 2.603 -4.722 0.000) 5.392 5.055 ( 5.368 -5.496 0.000) 7.683 5.163 ( 6.987 -5.552 0.000) 8.925 5.244 ( 0.043 -3.900 0.000) 3.900 6.680 ( -4.985 6.100 0.000) 7.878 6.842 ( -1.298 3.082 0.000) 3.345 7.140 ( 4.079 4.113 0.000) 5.792 7.244 ( -0.857 0.715 0.000) 1.115 7.389 ( -11.087 0.103 0.000) 11.087 7.459 ( 1.937 -4.729 0.000) 5.110 7.705 ( 1.702 2.360 0.000) 2.910 7.790 ( -1.054 2.554 0.000) 2.763 7.810 ( -0.608 -0.784 0.000) 0.993 7.838 ( -1.740 -2.506 0.000) 3.050 7.877 ( -1.782 5.501 0.000) 5.782 8.102 ( -15.060 6.474 0.000) 16.392 8.346 ( -0.521 -0.311 0.000) 0.607 8.611 ( 4.882 -4.225 0.000) 6.456 8.827 ( 7.051 -9.812 0.000) 12.083 8.968 ( -0.515 -14.983 0.000) 14.992 9.021 ( -1.522 15.571 0.000) 15.645 9.277 ( 6.358 4.449 0.000) 7.760 9.349 ( -2.237 0.341 0.000) 2.263 9.623 ( 4.064 -2.429 0.000) 4.735 9.739 ( 0.086 0.537 0.000) 0.543 10.265 ( 1.309 -14.900 0.000) 14.957 10.350 ( 1.015 0.203 0.000) 1.036 10.653 ( 2.929 -0.048 0.000) 2.929 10.677 ( -3.415 -5.300 0.000) 6.305 10.733 ( -5.581 -3.509 0.000) 6.592 10.920 ( -1.888 -12.040 0.000) 12.187 11.131 ( -5.903 -7.315 0.000) 9.400 12.083 ( -0.206 11.638 0.000) 11.640 12.723 ( -2.327 -6.029 0.000) 6.462 12.926 ( -17.724 6.360 0.000) 18.830 13.163 ( 0.385 -1.769 0.000) 1.810 13.537 ( -8.320 15.676 0.000) 17.747 14.301 ( -5.850 17.038 0.000) 18.014 14.367 ( -9.978 -10.116 0.000) 14.209 15.061 ( 6.346 0.495 0.000) 6.365 15.139 ( 3.957 -2.222 0.000) 4.539 15.152 ( -10.889 -8.986 0.000) 14.118 15.700 ( 18.709 0.960 0.000) 18.734 15.982 ( 7.490 -4.603 0.000) 8.792 16.168 ( 4.213 -0.377 0.000) 4.230 16.224 ( 4.560 -0.888 0.000) 4.645 16.494 ( 6.185 6.469 0.000) 8.950 16.907 ( 0.077 -4.184 0.000) 4.185 24.294 ( -0.030 1.374 0.000) 1.375 24.455 ( -0.294 -2.666 0.000) 2.682 24.570 ( 0.074 -0.628 0.000) 0.632 24.636 ( 1.555 -2.133 0.000) 2.639 24.650 ( -0.067 6.879 0.000) 6.879 24.883 ( -0.301 -0.797 0.000) 0.852 25.628 ( -4.567 6.155 0.000) 7.664 25.852 ( -15.639 4.825 0.000) 16.366 26.911 ( -4.511 -1.200 0.000) 4.668 27.008 ( -1.127 -4.626 0.000) 4.761 27.252 ( -0.488 -4.104 0.000) 4.133 27.316 ( -1.886 -3.777 0.000) 4.222 27.387 ( 2.565 7.119 0.000) 7.566 27.589 ( 5.807 2.837 0.000) 6.463 27.998 ( 8.295 2.546 0.000) 8.677 28.475 ( 3.045 -9.898 0.000) 10.355 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 11.454 12.723 0.000) 17.120 1.655 ( -12.274 7.131 0.000) 14.195 1.674 ( 11.250 14.492 0.000) 18.347 1.714 ( 1.917 4.269 0.000) 4.679 1.981 ( 1.703 1.464 0.000) 2.246 2.065 ( 4.837 25.284 0.000) 25.742 2.221 ( -1.640 14.261 0.000) 14.355 2.315 ( 4.050 11.978 0.000) 12.644 2.433 ( -5.256 -2.412 0.000) 5.783 2.680 ( -4.545 -5.220 0.000) 6.922 2.941 ( -0.840 -4.944 0.000) 5.015 3.003 ( -6.263 -0.328 0.000) 6.272 3.024 ( 2.124 -0.708 0.000) 2.239 3.270 ( 5.358 -5.377 0.000) 7.591 3.349 ( 5.242 -7.723 0.000) 9.334 3.371 ( 3.597 3.908 0.000) 5.311 3.475 ( 14.259 0.812 0.000) 14.282 3.554 ( 6.945 -3.086 0.000) 7.600 3.658 ( -0.084 -4.148 0.000) 4.149 3.700 ( 15.802 3.860 0.000) 16.266 3.717 ( 0.516 0.717 0.000) 0.883 4.028 ( 5.885 -4.721 0.000) 7.545 4.042 ( 3.412 1.965 0.000) 3.937 4.131 ( 4.059 7.280 0.000) 8.335 4.151 ( 2.924 2.202 0.000) 3.661 4.269 ( 15.740 -5.123 0.000) 16.553 4.450 ( 8.276 -1.481 0.000) 8.408 4.543 ( 12.582 4.856 0.000) 13.487 4.652 ( -0.956 5.452 0.000) 5.536 4.689 ( 6.700 -7.556 0.000) 10.098 4.734 ( -1.670 8.560 0.000) 8.722 4.779 ( 2.564 1.487 0.000) 2.964 4.962 ( 4.643 -4.370 0.000) 6.376 5.220 ( 10.759 -4.187 0.000) 11.545 5.335 ( 10.127 -4.712 0.000) 11.169 5.372 ( 14.835 -7.060 0.000) 16.429 6.599 ( -2.494 6.133 0.000) 6.621 6.800 ( -2.511 2.063 0.000) 3.250 7.166 ( -9.316 4.596 0.000) 10.388 7.205 ( 1.846 5.763 0.000) 6.051 7.218 ( -1.748 0.007 0.000) 1.748 7.488 ( 0.541 -3.414 0.000) 3.457 7.706 ( -1.279 0.619 0.000) 1.421 7.758 ( -2.312 1.125 0.000) 2.571 7.763 ( -4.405 -0.744 0.000) 4.468 7.812 ( -0.465 -2.698 0.000) 2.738 7.816 ( -3.426 2.540 0.000) 4.265 7.934 ( -2.876 7.076 0.000) 7.638 8.341 ( -0.408 -0.932 0.000) 1.017 8.682 ( 1.231 -9.185 0.000) 9.267 8.873 ( -1.782 -7.498 0.000) 7.707 8.958 ( -0.491 -13.143 0.000) 13.152 8.974 ( -2.721 16.009 0.000) 16.239 9.316 ( -0.734 4.716 0.000) 4.773 9.337 ( -1.098 1.325 0.000) 1.721 9.709 ( 3.776 -2.771 0.000) 4.684 9.740 ( 0.894 2.957 0.000) 3.090 10.296 ( 1.360 -12.437 0.000) 12.511 10.377 ( 1.554 -2.415 0.000) 2.871 10.566 ( -8.156 -3.875 0.000) 9.030 10.605 ( -4.713 -8.235 0.000) 9.489 10.695 ( 0.651 1.611 0.000) 1.738 10.888 ( -1.036 -18.658 0.000) 18.687 10.964 ( -9.536 -5.033 0.000) 10.783 12.076 ( -0.469 10.346 0.000) 10.356 12.594 ( -13.118 11.288 0.000) 17.306 12.660 ( -3.606 -5.697 0.000) 6.742 13.167 ( -0.112 -6.337 0.000) 6.338 13.357 ( -8.007 16.432 0.000) 18.279 14.166 ( -6.988 15.985 0.000) 17.446 14.168 ( -8.290 -9.161 0.000) 12.355 14.953 ( -7.466 -8.127 0.000) 11.035 15.167 ( 2.349 0.087 0.000) 2.351 15.231 ( 5.533 -0.451 0.000) 5.551 15.900 ( -0.892 8.052 0.000) 8.101 16.169 ( 11.887 -3.302 0.000) 12.337 16.192 ( 0.499 1.780 0.000) 1.849 16.413 ( 10.332 -4.556 0.000) 11.292 16.696 ( 11.579 -0.530 0.000) 11.592 16.905 ( -0.223 -4.280 0.000) 4.286 24.294 ( 0.058 1.153 0.000) 1.154 24.447 ( -0.509 -2.640 0.000) 2.689 24.581 ( 0.869 -0.097 0.000) 0.874 24.648 ( -0.057 6.377 0.000) 6.377 24.666 ( 1.207 -2.413 0.000) 2.698 24.875 ( -0.439 -0.895 0.000) 0.997 25.474 ( -8.314 7.764 0.000) 11.375 25.625 ( -7.453 3.919 0.000) 8.420 26.820 ( -3.931 -0.005 0.000) 3.931 26.978 ( -1.517 -5.152 0.000) 5.370 27.188 ( -4.092 -2.550 0.000) 4.822 27.275 ( -2.518 -3.811 0.000) 4.567 27.441 ( 2.472 7.711 0.000) 8.097 27.725 ( 6.612 1.113 0.000) 6.705 28.045 ( -2.371 3.174 0.000) 3.962 28.606 ( 7.717 -13.702 0.000) 15.725 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -5.882 8.487 0.000) 10.326 1.607 ( 6.633 10.413 0.000) 12.346 1.736 ( 0.744 7.302 0.000) 7.340 1.871 ( 7.760 3.446 0.000) 8.491 2.000 ( 0.163 -0.484 0.000) 0.510 2.188 ( -1.848 10.695 0.000) 10.854 2.227 ( 10.493 19.617 0.000) 22.247 2.345 ( -0.808 1.791 0.000) 1.965 2.384 ( 1.264 9.868 0.000) 9.948 2.575 ( -4.997 -3.816 0.000) 6.287 2.804 ( -11.873 6.181 0.000) 13.385 2.912 ( -1.952 -3.000 0.000) 3.579 3.034 ( -0.072 -4.721 0.000) 4.722 3.350 ( 2.528 -5.023 0.000) 5.623 3.424 ( 2.410 -9.657 0.000) 9.953 3.428 ( 1.951 4.624 0.000) 5.019 3.605 ( -0.658 -7.511 0.000) 7.539 3.628 ( 0.667 -6.239 0.000) 6.275 3.733 ( 7.659 1.680 0.000) 7.841 3.760 ( 2.846 1.227 0.000) 3.099 4.029 ( -1.748 0.190 0.000) 1.759 4.039 ( 13.315 4.256 0.000) 13.979 4.065 ( -2.609 -2.461 0.000) 3.586 4.192 ( 2.546 8.026 0.000) 8.420 4.279 ( 6.476 -0.102 0.000) 6.477 4.431 ( -1.440 -2.350 0.000) 2.756 4.577 ( 2.913 2.286 0.000) 3.702 4.645 ( -0.013 3.623 0.000) 3.623 4.736 ( 3.476 0.321 0.000) 3.491 4.807 ( 6.356 -1.794 0.000) 6.605 4.829 ( 2.946 -0.573 0.000) 3.001 4.919 ( 17.802 9.368 0.000) 20.117 5.060 ( 4.071 -2.783 0.000) 4.931 5.499 ( 16.170 -0.751 0.000) 16.188 5.616 ( 14.028 -7.933 0.000) 16.116 5.720 ( 14.667 -3.984 0.000) 15.198 6.581 ( 0.570 5.566 0.000) 5.595 6.746 ( -2.638 1.487 0.000) 3.028 7.022 ( -4.805 3.897 0.000) 6.187 7.183 ( -1.284 -0.992 0.000) 1.623 7.216 ( -0.456 7.299 0.000) 7.313 7.484 ( -0.572 -2.835 0.000) 2.892 7.658 ( -2.737 -2.916 0.000) 3.999 7.695 ( -1.623 4.268 0.000) 4.566 7.713 ( -1.446 -0.823 0.000) 1.663 7.745 ( -3.006 -0.633 0.000) 3.072 7.791 ( -2.254 -2.175 0.000) 3.132 7.895 ( -1.888 2.877 0.000) 3.441 8.319 ( -1.630 -0.832 0.000) 1.830 8.663 ( -2.167 -11.592 0.000) 11.793 8.772 ( -7.193 -8.948 0.000) 11.481 8.930 ( -1.314 17.406 0.000) 17.456 8.941 ( -1.008 -11.802 0.000) 11.845 9.279 ( -2.818 7.484 0.000) 7.997 9.314 ( 0.196 6.746 0.000) 6.749 9.765 ( 1.580 -3.337 0.000) 3.692 9.782 ( 2.483 2.963 0.000) 3.866 10.306 ( -0.610 -4.614 0.000) 4.654 10.407 ( -5.765 -3.536 0.000) 6.764 10.423 ( 2.983 -3.590 0.000) 4.667 10.541 ( -1.612 -16.942 0.000) 17.019 10.677 ( -2.416 1.553 0.000) 2.872 10.784 ( -6.477 -1.756 0.000) 6.711 10.873 ( -0.798 -21.583 0.000) 21.598 12.067 ( -0.372 9.012 0.000) 9.019 12.399 ( -6.091 11.181 0.000) 12.732 12.590 ( -2.826 -5.285 0.000) 5.994 13.161 ( -0.311 -10.431 0.000) 10.436 13.234 ( -3.821 17.256 0.000) 17.674 14.034 ( -5.214 16.777 0.000) 17.569 14.043 ( -3.885 -8.412 0.000) 9.265 14.851 ( -2.765 -8.283 0.000) 8.732 15.187 ( 0.246 0.726 0.000) 0.766 15.324 ( 3.014 -1.788 0.000) 3.504 15.829 ( -3.795 13.364 0.000) 13.892 16.206 ( 0.697 4.338 0.000) 4.394 16.363 ( 6.259 -1.245 0.000) 6.382 16.590 ( 6.302 -6.657 0.000) 9.167 16.891 ( 3.242 -3.394 0.000) 4.694 16.907 ( 3.726 -3.806 0.000) 5.326 24.296 ( 0.140 0.871 0.000) 0.882 24.436 ( -0.454 -2.571 0.000) 2.611 24.600 ( 0.850 0.059 0.000) 0.852 24.648 ( -0.021 5.881 0.000) 5.881 24.684 ( 0.588 -2.194 0.000) 2.272 24.867 ( -0.319 -0.990 0.000) 1.040 25.362 ( -2.297 5.905 0.000) 6.336 25.485 ( -6.382 2.201 0.000) 6.751 26.758 ( -2.077 0.632 0.000) 2.171 26.952 ( -0.884 -5.566 0.000) 5.636 27.115 ( -2.732 -1.222 0.000) 2.993 27.225 ( -1.956 -3.478 0.000) 3.990 27.482 ( 1.418 8.547 0.000) 8.663 27.837 ( 3.966 -0.221 0.000) 3.972 27.980 ( -2.918 7.260 0.000) 7.825 28.731 ( 4.058 -15.701 0.000) 16.216 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 8.939 0.000) 8.939 1.669 ( -0.000 13.273 0.000) 13.273 1.750 ( 0.000 5.065 0.000) 5.065 1.961 ( 0.000 -3.889 0.000) 3.889 1.999 ( 0.000 -1.354 0.000) 1.354 2.162 ( -0.000 9.070 0.000) 9.070 2.347 ( 0.000 4.091 0.000) 4.091 2.399 ( -0.000 9.980 0.000) 9.980 2.412 ( -0.000 16.038 0.000) 16.038 2.512 ( -0.000 -1.679 0.000) 1.679 2.606 ( 0.000 9.724 0.000) 9.724 2.884 ( 0.000 0.261 0.000) 0.261 3.036 ( 0.000 -5.748 0.000) 5.748 3.377 ( -0.000 -4.541 0.000) 4.541 3.449 ( 0.000 4.699 0.000) 4.699 3.450 ( 0.000 -10.302 0.000) 10.302 3.590 ( 0.000 -7.932 0.000) 7.932 3.624 ( -0.000 -8.582 0.000) 8.582 3.795 ( 0.000 2.090 0.000) 2.090 3.848 ( -0.000 3.366 0.000) 3.366 3.969 ( 0.000 -1.647 0.000) 1.647 4.038 ( 0.000 -3.782 0.000) 3.782 4.166 ( 0.000 7.172 0.000) 7.172 4.240 ( 0.000 3.345 0.000) 3.345 4.366 ( 0.000 -0.623 0.000) 0.623 4.375 ( -0.000 0.791 0.000) 0.791 4.589 ( 0.000 2.040 0.000) 2.040 4.644 ( 0.000 3.272 0.000) 3.272 4.756 ( 0.000 0.408 0.000) 0.408 4.859 ( 0.000 -1.621 0.000) 1.621 4.896 ( 0.000 -0.377 0.000) 0.377 5.104 ( 0.000 -2.448 0.000) 2.448 5.147 ( 0.000 7.126 0.000) 7.126 5.744 ( -0.000 2.413 0.000) 2.413 5.779 ( 0.000 -8.796 0.000) 8.796 5.844 ( 0.000 -1.481 0.000) 1.481 6.598 ( 0.000 5.668 0.000) 5.668 6.710 ( 0.000 1.068 0.000) 1.068 6.970 ( 0.000 2.948 0.000) 2.948 7.172 ( -0.000 -1.555 0.000) 1.555 7.207 ( -0.000 7.840 0.000) 7.840 7.476 ( 0.000 -2.800 0.000) 2.800 7.628 ( 0.000 -2.826 0.000) 2.826 7.683 ( 0.000 5.494 0.000) 5.494 7.714 ( 0.000 -3.458 0.000) 3.458 7.716 ( 0.000 -3.019 0.000) 3.019 7.740 ( -0.000 -0.448 0.000) 0.448 7.863 ( 0.000 -0.571 0.000) 0.571 8.296 ( 0.000 -0.329 0.000) 0.329 8.635 ( 0.000 -11.200 0.000) 11.200 8.671 ( 0.000 -8.351 0.000) 8.351 8.918 ( 0.000 17.506 0.000) 17.506 8.929 ( 0.000 -11.573 0.000) 11.573 9.251 ( 0.000 10.893 0.000) 10.893 9.316 ( 0.000 6.937 0.000) 6.937 9.779 ( 0.000 -3.664 0.000) 3.664 9.812 ( 0.000 2.058 0.000) 2.058 10.286 ( 0.000 2.407 0.000) 2.407 10.355 ( 0.000 -6.522 0.000) 6.522 10.471 ( -0.000 -4.434 0.000) 4.434 10.528 ( 0.000 -21.013 0.000) 21.013 10.628 ( 0.000 0.502 0.000) 0.502 10.723 ( 0.000 0.322 0.000) 0.322 10.862 ( 0.000 -21.383 0.000) 21.383 12.063 ( 0.000 8.435 0.000) 8.435 12.338 ( 0.000 10.669 0.000) 10.669 12.558 ( 0.000 -5.077 0.000) 5.077 13.157 ( 0.000 -12.129 0.000) 12.129 13.197 ( 0.000 17.544 0.000) 17.544 13.977 ( 0.000 17.496 0.000) 17.496 14.005 ( 0.000 -8.129 0.000) 8.129 14.825 ( -0.000 -8.624 0.000) 8.624 15.188 ( 0.000 0.866 0.000) 0.866 15.354 ( -0.000 -2.530 0.000) 2.530 15.786 ( -0.000 15.122 0.000) 15.122 16.214 ( 0.000 5.434 0.000) 5.434 16.426 ( 0.000 -0.563 0.000) 0.563 16.656 ( 0.000 -7.258 0.000) 7.258 16.895 ( 0.000 -3.562 0.000) 3.562 16.976 ( 0.000 -3.863 0.000) 3.863 24.298 ( -0.000 0.732 0.000) 0.732 24.431 ( 0.000 -2.522 0.000) 2.522 24.610 ( -0.000 0.018 0.000) 0.018 24.647 ( 0.000 5.674 0.000) 5.674 24.690 ( -0.000 -1.996 0.000) 1.996 24.864 ( 0.000 -1.029 0.000) 1.029 25.367 ( 0.000 4.579 0.000) 4.579 25.388 ( -0.000 2.001 0.000) 2.001 26.737 ( 0.000 0.837 0.000) 0.837 26.943 ( 0.000 -5.706 0.000) 5.706 27.085 ( 0.000 -0.670 0.000) 0.670 27.204 ( 0.000 -3.344 0.000) 3.344 27.497 ( 0.000 8.889 0.000) 8.889 27.879 ( 0.000 -0.694 0.000) 0.694 27.948 ( 0.000 8.730 0.000) 8.730 28.772 ( 0.000 -16.182 0.000) 16.182 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 12.819 0.000) 12.819 1.609 ( 0.000 -3.979 0.000) 3.979 1.736 ( 0.000 24.810 0.000) 24.810 1.994 ( 0.000 3.734 0.000) 3.734 2.061 ( 0.000 -3.900 0.000) 3.900 2.177 ( 0.000 -15.399 0.000) 15.399 2.562 ( 0.000 22.786 0.000) 22.786 2.602 ( 0.000 8.351 0.000) 8.351 2.658 ( 0.000 13.658 0.000) 13.658 2.700 ( 0.000 2.003 0.000) 2.003 2.826 ( 0.000 0.796 0.000) 0.796 2.919 ( 0.000 -9.545 0.000) 9.545 2.978 ( 0.000 -5.216 0.000) 5.216 3.007 ( 0.000 -11.339 0.000) 11.339 3.010 ( 0.000 -0.661 0.000) 0.661 3.049 ( 0.000 -4.447 0.000) 4.447 3.178 ( 0.000 1.640 0.000) 1.640 3.265 ( 0.000 -7.256 0.000) 7.256 3.570 ( 0.000 26.049 0.000) 26.049 3.573 ( 0.000 -1.037 0.000) 1.037 3.602 ( 0.000 -3.086 0.000) 3.086 3.875 ( 0.000 0.678 0.000) 0.678 3.902 ( 0.000 -1.930 0.000) 1.930 4.027 ( 0.000 2.859 0.000) 2.859 4.051 ( 0.000 2.019 0.000) 2.019 4.080 ( 0.000 -8.110 0.000) 8.110 4.082 ( 0.000 -0.855 0.000) 0.855 4.105 ( 0.000 -18.218 0.000) 18.218 4.444 ( 0.000 11.219 0.000) 11.219 4.659 ( 0.000 -9.539 0.000) 9.539 4.772 ( 0.000 5.218 0.000) 5.218 4.879 ( 0.000 -5.199 0.000) 5.199 4.927 ( 0.000 4.140 0.000) 4.140 5.011 ( 0.000 -3.887 0.000) 3.887 5.014 ( 0.000 8.254 0.000) 8.254 5.153 ( 0.000 -5.622 0.000) 5.622 6.848 ( 0.000 3.538 0.000) 3.538 6.890 ( 0.000 -0.280 0.000) 0.280 7.181 ( 0.000 6.143 0.000) 6.143 7.296 ( 0.000 3.475 0.000) 3.475 7.312 ( 0.000 -6.398 0.000) 6.398 7.396 ( 0.000 -6.302 0.000) 6.302 7.759 ( 0.000 3.550 0.000) 3.550 7.807 ( 0.000 -1.254 0.000) 1.254 7.833 ( 0.000 0.427 0.000) 0.427 7.836 ( 0.000 -0.378 0.000) 0.378 8.050 ( 0.000 9.861 0.000) 9.861 8.273 ( 0.000 -11.497 0.000) 11.497 8.387 ( 0.000 2.679 0.000) 2.679 8.467 ( 0.000 -4.750 0.000) 4.750 8.581 ( 0.000 3.370 0.000) 3.370 8.709 ( 0.000 -9.575 0.000) 9.575 9.368 ( 0.000 12.025 0.000) 12.025 9.389 ( 0.000 2.332 0.000) 2.332 9.446 ( 0.000 13.476 0.000) 13.476 9.549 ( 0.000 4.440 0.000) 4.440 9.672 ( 0.000 -7.366 0.000) 7.366 9.877 ( 0.000 -20.180 0.000) 20.180 10.403 ( 0.000 3.983 0.000) 3.983 10.520 ( 0.000 -7.397 0.000) 7.397 10.679 ( 0.000 0.516 0.000) 0.516 10.719 ( 0.000 -3.103 0.000) 3.103 10.890 ( 0.000 3.740 0.000) 3.740 11.021 ( 0.000 -8.122 0.000) 8.122 12.349 ( 0.000 12.977 0.000) 12.977 12.585 ( 0.000 -9.970 0.000) 9.970 13.152 ( 0.000 0.082 0.000) 0.082 13.153 ( 0.000 -0.237 0.000) 0.237 13.953 ( 0.000 15.326 0.000) 15.326 14.247 ( 0.000 -13.536 0.000) 13.536 14.750 ( 0.000 17.384 0.000) 17.384 14.993 ( 0.000 0.550 0.000) 0.550 15.018 ( 0.000 -2.122 0.000) 2.122 15.067 ( 0.000 -13.439 0.000) 13.439 15.559 ( 0.000 6.439 0.000) 6.439 15.703 ( 0.000 -7.390 0.000) 7.390 16.129 ( 0.000 2.190 0.000) 2.190 16.172 ( 0.000 -1.944 0.000) 1.944 16.634 ( 0.000 8.970 0.000) 8.970 16.796 ( 0.000 -6.759 0.000) 6.759 24.337 ( 0.000 2.671 0.000) 2.671 24.398 ( 0.000 -3.162 0.000) 3.162 24.564 ( 0.000 0.366 0.000) 0.366 24.584 ( 0.000 -1.417 0.000) 1.417 24.777 ( 0.000 5.108 0.000) 5.108 24.854 ( 0.000 -2.571 0.000) 2.571 25.816 ( 0.000 7.705 0.000) 7.705 25.970 ( 0.000 -7.111 0.000) 7.111 26.941 ( 0.000 -0.651 0.000) 0.651 26.952 ( 0.000 -1.821 0.000) 1.821 27.214 ( 0.000 1.369 0.000) 1.369 27.266 ( 0.000 -3.540 0.000) 3.540 27.488 ( 0.000 5.287 0.000) 5.287 27.553 ( 0.000 -0.858 0.000) 0.858 28.066 ( 0.000 9.954 0.000) 9.954 28.262 ( 0.000 -9.600 0.000) 9.600 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.064 11.380 0.000) 12.456 1.645 ( 3.337 -3.507 0.000) 4.841 1.829 ( 5.149 17.167 0.000) 17.922 1.954 ( -6.284 0.423 0.000) 6.298 2.026 ( 0.935 4.454 0.000) 4.551 2.267 ( 6.234 -12.366 0.000) 13.849 2.537 ( -4.864 7.504 0.000) 8.943 2.553 ( -0.039 23.064 0.000) 23.064 2.593 ( -5.015 8.967 0.000) 10.274 2.683 ( -1.776 2.665 0.000) 3.202 2.850 ( -4.233 -8.640 0.000) 9.621 2.901 ( 2.961 -9.172 0.000) 9.638 2.989 ( -0.988 -0.439 0.000) 1.081 3.064 ( 0.541 -5.770 0.000) 5.795 3.089 ( 9.875 -2.151 0.000) 10.106 3.140 ( 12.192 -5.036 0.000) 13.191 3.273 ( 7.738 1.201 0.000) 7.831 3.332 ( 6.792 -4.430 0.000) 8.109 3.612 ( 3.413 1.626 0.000) 3.780 3.683 ( 5.563 -3.851 0.000) 6.766 3.714 ( 11.879 23.417 0.000) 26.257 3.862 ( 1.737 0.742 0.000) 1.889 3.897 ( 1.780 -3.001 0.000) 3.489 4.069 ( 1.684 2.579 0.000) 3.081 4.093 ( 6.057 -1.006 0.000) 6.140 4.116 ( 2.339 -1.667 0.000) 2.872 4.191 ( 8.117 -8.203 0.000) 11.540 4.239 ( 12.961 -10.304 0.000) 16.558 4.506 ( 6.040 9.959 0.000) 11.647 4.699 ( 3.908 -7.660 0.000) 8.599 4.787 ( 1.205 4.231 0.000) 4.399 4.847 ( -2.318 0.378 0.000) 2.348 4.976 ( 5.019 -0.688 0.000) 5.066 4.980 ( -2.719 9.040 0.000) 9.440 5.049 ( 3.881 -5.680 0.000) 6.880 5.142 ( -0.404 -6.506 0.000) 6.519 6.793 ( -3.986 4.767 0.000) 6.214 6.860 ( -2.596 -1.415 0.000) 2.957 7.243 ( 4.647 5.651 0.000) 7.317 7.276 ( -1.865 2.503 0.000) 3.122 7.341 ( -4.872 -3.590 0.000) 6.052 7.356 ( 3.451 -5.368 0.000) 6.382 7.748 ( -1.513 1.964 0.000) 2.479 7.783 ( -2.333 -1.553 0.000) 2.802 7.811 ( -2.239 -0.036 0.000) 2.240 7.817 ( -1.327 0.044 0.000) 1.327 8.023 ( -2.763 8.126 0.000) 8.583 8.153 ( -7.789 -2.638 0.000) 8.223 8.374 ( -0.773 3.243 0.000) 3.334 8.481 ( 0.719 -6.960 0.000) 6.997 8.655 ( 3.990 -3.483 0.000) 5.296 8.720 ( 1.239 -8.398 0.000) 8.489 9.365 ( 0.061 13.382 0.000) 13.382 9.416 ( 1.863 6.180 0.000) 6.455 9.490 ( 3.375 12.893 0.000) 13.328 9.570 ( 1.867 0.772 0.000) 2.020 9.701 ( 2.358 -6.102 0.000) 6.542 9.882 ( 0.465 -21.002 0.000) 21.007 10.376 ( -1.958 3.027 0.000) 3.605 10.507 ( -1.419 -10.034 0.000) 10.134 10.634 ( -4.226 0.312 0.000) 4.238 10.668 ( -4.820 -2.685 0.000) 5.518 10.860 ( -2.630 3.942 0.000) 4.739 10.980 ( -4.009 -7.141 0.000) 8.190 12.337 ( -1.184 12.492 0.000) 12.548 12.565 ( -1.935 -9.670 0.000) 9.862 13.035 ( -9.686 4.557 0.000) 10.704 13.113 ( -3.916 -3.169 0.000) 5.038 13.851 ( -8.355 14.906 0.000) 17.088 14.133 ( -9.054 -12.822 0.000) 15.696 14.638 ( -8.127 15.859 0.000) 17.820 14.931 ( -9.852 -12.822 0.000) 16.170 15.072 ( 6.246 0.737 0.000) 6.289 15.096 ( 5.816 -1.733 0.000) 6.069 15.766 ( 16.108 4.847 0.000) 16.821 15.876 ( 12.327 -5.646 0.000) 13.559 16.175 ( 3.542 0.969 0.000) 3.672 16.200 ( 3.444 -1.357 0.000) 3.701 16.646 ( 1.544 7.930 0.000) 8.079 16.796 ( 0.126 -6.609 0.000) 6.611 24.335 ( -0.169 2.612 0.000) 2.618 24.395 ( -0.261 -3.133 0.000) 3.144 24.570 ( 0.650 0.691 0.000) 0.949 24.596 ( 1.044 -1.727 0.000) 2.018 24.774 ( -0.327 5.042 0.000) 5.052 24.850 ( -0.363 -2.591 0.000) 2.617 25.755 ( -5.741 6.122 0.000) 8.393 25.857 ( -9.386 -3.267 0.000) 9.938 26.901 ( -3.129 0.391 0.000) 3.153 26.932 ( -1.931 -2.687 0.000) 3.309 27.207 ( -1.242 -0.176 0.000) 1.255 27.240 ( -2.117 -3.148 0.000) 3.794 27.524 ( 3.119 5.795 0.000) 6.581 27.603 ( 4.345 -1.648 0.000) 4.647 28.117 ( 3.642 7.764 0.000) 8.576 28.286 ( 2.478 -8.833 0.000) 9.174 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 7.172 8.137 0.000) 10.847 1.731 ( 4.528 -1.973 0.000) 4.939 1.780 ( -8.444 5.604 0.000) 10.134 1.851 ( -1.723 0.322 0.000) 1.753 2.089 ( 1.964 10.495 0.000) 10.677 2.307 ( -3.130 -8.920 0.000) 9.453 2.471 ( -0.791 8.201 0.000) 8.239 2.534 ( -0.185 5.004 0.000) 5.007 2.576 ( 2.438 22.799 0.000) 22.929 2.640 ( -1.701 5.033 0.000) 5.313 2.795 ( -0.981 -7.522 0.000) 7.586 2.927 ( 0.020 -10.307 0.000) 10.307 2.975 ( -0.616 -1.619 0.000) 1.732 3.079 ( 0.954 -10.676 0.000) 10.719 3.245 ( 3.842 0.799 0.000) 3.924 3.370 ( 6.576 -9.084 0.000) 11.214 3.434 ( 6.642 2.984 0.000) 7.281 3.498 ( 7.469 -3.229 0.000) 8.137 3.670 ( 2.481 3.374 0.000) 4.188 3.717 ( 0.714 -1.010 0.000) 1.237 3.978 ( 12.193 17.232 0.000) 21.110 3.989 ( 6.869 1.277 0.000) 6.986 4.046 ( 4.202 -2.366 0.000) 4.823 4.163 ( 6.574 0.130 0.000) 6.575 4.186 ( 10.808 -2.333 0.000) 11.057 4.212 ( 4.643 -2.707 0.000) 5.375 4.411 ( 11.955 0.512 0.000) 11.966 4.518 ( 11.867 -8.084 0.000) 14.359 4.677 ( 9.387 7.734 0.000) 12.163 4.774 ( -0.301 5.016 0.000) 5.025 4.813 ( -0.104 1.051 0.000) 1.056 4.838 ( 6.024 -7.348 0.000) 9.501 4.955 ( 2.441 12.240 0.000) 12.481 5.159 ( 13.232 -0.742 0.000) 13.252 5.187 ( 6.326 -9.872 0.000) 11.725 5.226 ( 15.581 -6.677 0.000) 16.951 6.720 ( -2.740 5.404 0.000) 6.059 6.800 ( -2.872 -2.140 0.000) 3.582 7.219 ( -6.458 0.945 0.000) 6.527 7.222 ( -3.394 0.302 0.000) 3.407 7.325 ( 2.807 5.351 0.000) 6.042 7.415 ( 1.747 -3.804 0.000) 4.186 7.689 ( -3.850 -0.248 0.000) 3.858 7.714 ( -3.919 -2.555 0.000) 4.678 7.757 ( -2.809 0.930 0.000) 2.959 7.791 ( -1.186 -1.342 0.000) 1.791 7.942 ( -4.518 7.320 0.000) 8.601 8.036 ( -4.263 0.232 0.000) 4.269 8.360 ( -0.817 3.090 0.000) 3.196 8.480 ( -0.948 -8.780 0.000) 8.831 8.683 ( -1.010 -4.199 0.000) 4.319 8.747 ( 0.209 -8.226 0.000) 8.229 9.365 ( -0.233 19.315 0.000) 19.316 9.453 ( 1.584 8.679 0.000) 8.823 9.545 ( 1.549 14.032 0.000) 14.117 9.614 ( 2.002 -4.980 0.000) 5.368 9.752 ( 2.565 -4.034 0.000) 4.780 9.893 ( 0.580 -23.322 0.000) 23.330 10.344 ( -0.979 0.278 0.000) 1.018 10.471 ( -1.641 -13.693 0.000) 13.791 10.520 ( -6.416 0.074 0.000) 6.416 10.540 ( -6.789 -1.679 0.000) 6.993 10.795 ( -3.447 2.815 0.000) 4.450 10.867 ( -6.352 -4.272 0.000) 7.655 12.304 ( -1.879 11.306 0.000) 11.461 12.512 ( -2.987 -8.914 0.000) 9.401 12.821 ( -9.904 10.532 0.000) 14.458 13.015 ( -5.097 -8.593 0.000) 9.991 13.677 ( -7.477 14.817 0.000) 16.597 13.951 ( -7.608 -12.168 0.000) 14.351 14.479 ( -6.982 14.659 0.000) 16.236 14.750 ( -7.158 -11.840 0.000) 13.836 15.179 ( 3.338 1.149 0.000) 3.530 15.209 ( 4.661 -1.523 0.000) 4.904 16.041 ( 7.091 5.361 0.000) 8.889 16.117 ( 11.611 -2.551 0.000) 11.888 16.244 ( 3.561 3.262 0.000) 4.829 16.321 ( 7.008 -4.309 0.000) 8.227 16.718 ( 5.548 2.883 0.000) 6.252 16.805 ( 0.850 -5.161 0.000) 5.230 24.331 ( -0.210 2.424 0.000) 2.433 24.388 ( -0.412 -3.027 0.000) 3.055 24.589 ( 1.106 1.006 0.000) 1.495 24.620 ( 1.195 -1.966 0.000) 2.301 24.765 ( -0.440 4.861 0.000) 4.881 24.841 ( -0.518 -2.625 0.000) 2.676 25.600 ( -8.409 4.736 0.000) 9.651 25.659 ( -8.880 -0.820 0.000) 8.917 26.834 ( -3.026 1.528 0.000) 3.390 26.886 ( -2.176 -3.635 0.000) 4.237 27.159 ( -2.809 0.033 0.000) 2.809 27.195 ( -2.260 -3.333 0.000) 4.027 27.597 ( 3.543 7.015 0.000) 7.859 27.704 ( 4.992 -3.251 0.000) 5.957 28.166 ( 0.967 8.185 0.000) 8.242 28.360 ( 4.026 -10.764 0.000) 11.492 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -4.401 8.864 0.000) 9.897 1.762 ( 5.224 5.012 0.000) 7.240 1.809 ( 2.710 0.420 0.000) 2.742 1.811 ( -1.713 -6.966 0.000) 7.174 2.088 ( -1.003 6.686 0.000) 6.761 2.223 ( -3.594 -5.764 0.000) 6.793 2.479 ( 0.842 8.543 0.000) 8.584 2.534 ( -0.217 3.293 0.000) 3.300 2.629 ( 0.287 9.037 0.000) 9.042 2.656 ( 5.355 19.525 0.000) 20.246 2.797 ( 0.769 -7.069 0.000) 7.111 2.895 ( -3.427 -1.150 0.000) 3.615 2.962 ( -0.600 -1.011 0.000) 1.175 3.100 ( 0.924 -13.946 0.000) 13.976 3.265 ( -0.440 -2.231 0.000) 2.274 3.400 ( -1.694 -11.491 0.000) 11.615 3.528 ( 2.785 4.451 0.000) 5.251 3.590 ( 1.667 -1.445 0.000) 2.207 3.763 ( 6.014 1.189 0.000) 6.130 3.777 ( 5.013 0.011 0.000) 5.013 4.017 ( -2.054 -0.004 0.000) 2.054 4.034 ( -4.028 -1.110 0.000) 4.178 4.172 ( 6.741 7.573 0.000) 10.139 4.279 ( 1.750 -1.099 0.000) 2.066 4.311 ( 5.806 2.665 0.000) 6.389 4.372 ( 3.293 -3.178 0.000) 4.577 4.606 ( 6.186 2.854 0.000) 6.812 4.690 ( 4.996 -3.941 0.000) 6.363 4.741 ( -1.262 4.264 0.000) 4.446 4.798 ( 0.381 -1.164 0.000) 1.225 4.860 ( 5.829 4.174 0.000) 7.169 4.965 ( 4.668 -5.682 0.000) 7.354 5.147 ( 14.011 12.641 0.000) 18.871 5.406 ( 12.596 -12.248 0.000) 17.569 5.527 ( 20.209 3.659 0.000) 20.537 5.627 ( 18.956 -5.317 0.000) 19.687 6.688 ( -0.382 4.480 0.000) 4.496 6.749 ( -2.054 -1.380 0.000) 2.474 7.095 ( -4.951 3.295 0.000) 5.948 7.152 ( -3.004 -2.176 0.000) 3.709 7.354 ( 0.244 5.203 0.000) 5.209 7.427 ( -0.176 -2.800 0.000) 2.805 7.618 ( -2.506 -0.483 0.000) 2.552 7.651 ( -1.979 -3.552 0.000) 4.066 7.701 ( -2.443 1.455 0.000) 2.843 7.755 ( -2.554 -2.507 0.000) 3.578 7.843 ( -4.824 6.412 0.000) 8.024 7.934 ( -5.966 -1.215 0.000) 6.089 8.336 ( -1.284 2.793 0.000) 3.074 8.449 ( -1.613 -8.525 0.000) 8.676 8.630 ( -3.497 -1.378 0.000) 3.759 8.724 ( -1.645 -8.953 0.000) 9.103 9.361 ( 0.003 23.573 0.000) 23.573 9.473 ( 0.298 9.200 0.000) 9.205 9.561 ( 0.387 16.567 0.000) 16.572 9.643 ( 0.820 -7.820 0.000) 7.863 9.800 ( 1.869 -4.007 0.000) 4.421 9.906 ( 0.606 -26.229 0.000) 26.236 10.342 ( 0.813 -2.501 0.000) 2.630 10.394 ( -5.065 1.343 0.000) 5.240 10.424 ( -4.093 -1.705 0.000) 4.434 10.444 ( -1.195 -14.554 0.000) 14.603 10.726 ( -3.164 1.230 0.000) 3.394 10.754 ( -3.788 -1.380 0.000) 4.032 12.267 ( -1.430 10.066 0.000) 10.167 12.454 ( -2.297 -8.074 0.000) 8.395 12.659 ( -5.548 13.425 0.000) 14.526 12.925 ( -3.323 -12.610 0.000) 13.040 13.564 ( -3.474 15.016 0.000) 15.413 13.837 ( -3.498 -11.863 0.000) 12.368 14.361 ( -4.204 15.235 0.000) 15.804 14.642 ( -3.409 -12.244 0.000) 12.710 15.218 ( 0.793 2.308 0.000) 2.441 15.274 ( 1.751 -2.927 0.000) 3.410 16.100 ( 0.464 12.395 0.000) 12.404 16.296 ( 5.267 -6.294 0.000) 8.207 16.313 ( 2.814 6.166 0.000) 6.778 16.449 ( 4.771 -7.037 0.000) 8.502 16.831 ( 1.802 -1.660 0.000) 2.450 16.841 ( 4.827 -2.303 0.000) 5.348 24.327 ( -0.117 2.154 0.000) 2.157 24.380 ( -0.330 -2.851 0.000) 2.871 24.611 ( 0.824 1.034 0.000) 1.323 24.641 ( 0.770 -1.914 0.000) 2.063 24.757 ( -0.299 4.658 0.000) 4.668 24.831 ( -0.368 -2.643 0.000) 2.669 25.459 ( -4.548 3.610 0.000) 5.807 25.503 ( -6.060 -0.622 0.000) 6.092 26.785 ( -1.642 2.208 0.000) 2.751 26.851 ( -1.219 -4.227 0.000) 4.399 27.109 ( -1.840 0.905 0.000) 2.050 27.153 ( -1.605 -3.210 0.000) 3.589 27.657 ( 2.145 8.123 0.000) 8.401 27.790 ( 3.029 -4.561 0.000) 5.475 28.169 ( -0.287 11.210 0.000) 11.214 28.426 ( 2.176 -13.996 0.000) 14.165 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 9.682 0.000) 9.682 1.792 ( 0.000 -9.104 0.000) 9.104 1.827 ( -0.000 3.168 0.000) 3.168 1.830 ( 0.000 2.324 0.000) 2.324 2.076 ( 0.000 4.918 0.000) 4.918 2.184 ( -0.000 -4.870 0.000) 4.870 2.489 ( 0.000 7.883 0.000) 7.883 2.531 ( -0.000 3.876 0.000) 3.876 2.634 ( -0.000 9.852 0.000) 9.852 2.768 ( -0.000 14.586 0.000) 14.586 2.804 ( 0.000 8.206 0.000) 8.206 2.808 ( 0.000 -6.753 0.000) 6.753 2.955 ( 0.000 -0.473 0.000) 0.473 3.110 ( 0.000 -14.865 0.000) 14.865 3.262 ( 0.000 -5.514 0.000) 5.514 3.371 ( 0.000 -12.578 0.000) 12.578 3.557 ( 0.000 4.464 0.000) 4.464 3.599 ( 0.000 0.357 0.000) 0.357 3.842 ( 0.000 2.634 0.000) 2.634 3.907 ( -0.000 -3.754 0.000) 3.754 3.919 ( 0.000 3.297 0.000) 3.297 3.976 ( -0.000 -2.479 0.000) 2.479 4.256 ( 0.000 2.437 0.000) 2.437 4.282 ( -0.000 0.175 0.000) 0.175 4.374 ( 0.000 0.799 0.000) 0.799 4.384 ( 0.000 -0.047 0.000) 0.047 4.671 ( -0.000 4.665 0.000) 4.665 4.709 ( 0.000 3.216 0.000) 3.216 4.749 ( 0.000 -0.933 0.000) 0.933 4.805 ( -0.000 -3.739 0.000) 3.739 4.926 ( 0.000 3.113 0.000) 3.113 5.014 ( 0.000 -5.235 0.000) 5.235 5.328 ( -0.000 10.544 0.000) 10.544 5.561 ( 0.000 -11.906 0.000) 11.906 5.796 ( -0.000 2.436 0.000) 2.436 5.831 ( 0.000 -0.821 0.000) 0.821 6.694 ( -0.000 3.122 0.000) 3.122 6.722 ( 0.000 -0.036 0.000) 0.036 7.039 ( 0.000 3.896 0.000) 3.896 7.119 ( -0.000 -3.614 0.000) 3.614 7.352 ( 0.000 5.347 0.000) 5.347 7.423 ( 0.000 -2.533 0.000) 2.533 7.593 ( 0.000 -0.200 0.000) 0.200 7.631 ( -0.000 -3.782 0.000) 3.782 7.673 ( 0.000 0.546 0.000) 0.546 7.714 ( -0.000 -2.173 0.000) 2.173 7.790 ( 0.000 3.976 0.000) 3.976 7.842 ( 0.000 -1.535 0.000) 1.535 8.320 ( 0.000 2.893 0.000) 2.893 8.430 ( 0.000 -8.182 0.000) 8.182 8.585 ( 0.000 1.182 0.000) 1.182 8.705 ( 0.000 -9.580 0.000) 9.580 9.363 ( 0.000 25.394 0.000) 25.394 9.474 ( 0.000 8.487 0.000) 8.487 9.566 ( 0.000 17.536 0.000) 17.536 9.650 ( 0.000 -8.172 0.000) 8.172 9.821 ( 0.000 -4.364 0.000) 4.364 9.913 ( 0.000 -27.744 0.000) 27.744 10.339 ( 0.000 2.408 0.000) 2.408 10.360 ( -0.000 -4.384 0.000) 4.384 10.381 ( 0.000 -2.024 0.000) 2.024 10.424 ( 0.000 -13.505 0.000) 13.505 10.689 ( 0.000 1.289 0.000) 1.289 10.717 ( 0.000 -1.032 0.000) 1.032 12.252 ( 0.000 9.515 0.000) 9.515 12.429 ( 0.000 -7.682 0.000) 7.682 12.601 ( 0.000 14.173 0.000) 14.173 12.889 ( 0.000 -14.002 0.000) 14.002 13.530 ( 0.000 15.090 0.000) 15.090 13.803 ( 0.000 -11.753 0.000) 11.753 14.317 ( 0.000 15.778 0.000) 15.778 14.607 ( 0.000 -12.714 0.000) 12.714 15.224 ( 0.000 2.674 0.000) 2.674 15.290 ( -0.000 -3.514 0.000) 3.514 16.100 ( -0.000 14.867 0.000) 14.867 16.344 ( 0.000 7.240 0.000) 7.240 16.346 ( 0.000 -8.308 0.000) 8.308 16.500 ( 0.000 -7.924 0.000) 7.924 16.850 ( 0.000 0.119 0.000) 0.119 16.896 ( 0.000 -3.685 0.000) 3.685 24.326 ( -0.000 2.011 0.000) 2.011 24.376 ( 0.000 -2.750 0.000) 2.750 24.619 ( 0.000 1.008 0.000) 1.008 24.649 ( -0.000 -1.865 0.000) 1.865 24.754 ( 0.000 4.570 0.000) 4.570 24.827 ( 0.000 -2.647 0.000) 2.647 25.424 ( 0.000 1.247 0.000) 1.247 25.427 ( -0.000 1.225 0.000) 1.225 26.768 ( 0.000 2.433 0.000) 2.433 26.838 ( 0.000 -4.423 0.000) 4.423 27.090 ( 0.000 1.245 0.000) 1.245 27.135 ( 0.000 -3.111 0.000) 3.111 27.680 ( 0.000 8.549 0.000) 8.549 27.821 ( 0.000 -5.043 0.000) 5.043 28.165 ( 0.000 12.521 0.000) 12.521 28.448 ( 0.000 -15.232 0.000) 15.232 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 0.000 28.531) 28.531 0.534 ( 0.000 0.000 28.296) 28.296 1.009 ( 0.000 0.000 49.606) 49.606 1.595 ( 0.000 0.000 -1.741) 1.741 1.630 ( 0.000 0.000 5.548) 5.548 1.702 ( 0.000 0.000 -0.403) 0.403 1.809 ( 0.000 0.000 -7.040) 7.040 1.944 ( 0.000 0.000 -2.734) 2.734 2.073 ( 0.000 0.000 -13.362) 13.362 2.700 ( 0.000 0.000 5.275) 5.275 2.914 ( 0.000 0.000 -0.300) 0.300 2.962 ( 0.000 0.000 -2.574) 2.574 3.027 ( 0.000 0.000 -4.626) 4.626 3.133 ( 0.000 0.000 -8.069) 8.069 3.270 ( 0.000 0.000 -6.731) 6.731 3.317 ( 0.000 0.000 7.292) 7.292 3.413 ( 0.000 0.000 -5.186) 5.186 3.460 ( 0.000 0.000 7.395) 7.395 3.682 ( 0.000 0.000 -4.403) 4.403 3.771 ( 0.000 0.000 -7.639) 7.639 3.786 ( 0.000 0.000 -1.192) 1.192 3.809 ( 0.000 0.000 1.482) 1.482 3.881 ( 0.000 0.000 8.560) 8.560 3.968 ( 0.000 0.000 5.319) 5.319 4.109 ( 0.000 0.000 -7.058) 7.058 4.197 ( 0.000 0.000 3.283) 3.283 4.285 ( 0.000 0.000 9.109) 9.109 4.524 ( 0.000 0.000 -3.642) 3.642 4.559 ( 0.000 0.000 0.410) 0.410 4.604 ( 0.000 0.000 -1.507) 1.507 4.775 ( 0.000 0.000 2.107) 2.107 4.792 ( 0.000 0.000 3.085) 3.085 4.892 ( 0.000 0.000 0.667) 0.667 4.985 ( 0.000 0.000 2.471) 2.471 5.243 ( 0.000 0.000 -5.344) 5.344 5.280 ( 0.000 0.000 -13.267) 13.267 6.680 ( 0.000 0.000 3.010) 3.010 6.798 ( 0.000 0.000 7.390) 7.390 6.938 ( 0.000 0.000 -3.116) 3.116 7.059 ( 0.000 0.000 3.465) 3.465 7.210 ( 0.000 0.000 -3.317) 3.317 7.424 ( 0.000 0.000 -6.182) 6.182 7.615 ( 0.000 0.000 1.717) 1.717 7.781 ( 0.000 0.000 -1.798) 1.798 7.812 ( 0.000 0.000 1.483) 1.483 7.905 ( 0.000 0.000 -0.448) 0.448 8.048 ( 0.000 0.000 7.344) 7.344 8.369 ( 0.000 0.000 -1.199) 1.199 8.399 ( 0.000 0.000 1.752) 1.752 8.566 ( 0.000 0.000 -3.580) 3.580 8.746 ( 0.000 0.000 4.683) 4.683 8.921 ( 0.000 0.000 -1.166) 1.166 9.078 ( 0.000 0.000 0.212) 0.212 9.315 ( 0.000 0.000 -4.965) 4.965 9.445 ( 0.000 0.000 1.166) 1.166 9.489 ( 0.000 0.000 -0.198) 0.198 9.655 ( 0.000 0.000 4.732) 4.732 10.201 ( 0.000 0.000 -8.946) 8.946 10.530 ( 0.000 0.000 0.344) 0.344 10.542 ( 0.000 0.000 -0.051) 0.051 10.954 ( 0.000 0.000 6.641) 6.641 10.968 ( 0.000 0.000 2.648) 2.648 11.175 ( 0.000 0.000 -2.448) 2.448 11.350 ( 0.000 0.000 -3.841) 3.841 12.613 ( 0.000 0.000 -0.225) 0.225 12.618 ( 0.000 0.000 -0.398) 0.398 12.892 ( 0.000 0.000 2.597) 2.597 13.096 ( 0.000 0.000 -2.464) 2.464 13.284 ( 0.000 0.000 6.007) 6.007 13.743 ( 0.000 0.000 -5.454) 5.454 14.776 ( 0.000 0.000 5.106) 5.106 15.009 ( 0.000 0.000 3.673) 3.673 15.203 ( 0.000 0.000 -4.362) 4.362 15.451 ( 0.000 0.000 -10.864) 10.864 15.909 ( 0.000 0.000 -0.350) 0.350 15.977 ( 0.000 0.000 -2.189) 2.189 16.087 ( 0.000 0.000 1.865) 1.865 16.128 ( 0.000 0.000 0.985) 0.985 16.350 ( 0.000 0.000 11.492) 11.492 16.929 ( 0.000 0.000 -5.326) 5.326 24.304 ( 0.000 0.000 3.125) 3.125 24.520 ( 0.000 0.000 0.234) 0.234 24.580 ( 0.000 0.000 -4.459) 4.459 24.618 ( 0.000 0.000 -2.862) 2.862 24.964 ( 0.000 0.000 7.073) 7.073 25.004 ( 0.000 0.000 3.764) 3.764 25.179 ( 0.000 0.000 -1.233) 1.233 25.459 ( 0.000 0.000 -6.020) 6.020 27.102 ( 0.000 0.000 3.225) 3.225 27.273 ( 0.000 0.000 0.336) 0.336 27.280 ( 0.000 0.000 0.687) 0.687 27.373 ( 0.000 0.000 0.962) 0.962 27.400 ( 0.000 0.000 -4.576) 4.576 27.485 ( 0.000 0.000 -1.412) 1.412 28.085 ( 0.000 0.000 4.879) 4.879 28.404 ( 0.000 0.000 -3.459) 3.459 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 20.353 0.000 18.226) 27.321 0.855 ( 17.151 0.000 20.478) 26.711 1.389 ( 19.896 0.000 16.129) 25.612 1.448 ( 4.174 0.000 22.583) 22.966 1.600 ( -7.586 0.000 -2.756) 8.071 1.674 ( 5.058 0.000 5.596) 7.543 1.900 ( 5.423 0.000 -2.251) 5.872 1.989 ( 5.984 0.000 -1.193) 6.102 2.021 ( -4.111 0.000 -8.380) 9.334 2.782 ( 5.047 0.000 -3.122) 5.935 2.922 ( 2.845 0.000 -3.184) 4.270 2.957 ( -0.718 0.000 0.906) 1.155 3.100 ( -0.105 0.000 -8.065) 8.065 3.184 ( 5.393 0.000 -2.374) 5.892 3.329 ( 3.745 0.000 -4.681) 5.995 3.333 ( 6.605 0.000 -1.872) 6.865 3.413 ( -0.886 0.000 7.634) 7.686 3.580 ( 9.988 0.000 -4.889) 11.121 3.669 ( 0.625 0.000 -3.006) 3.070 3.760 ( -1.442 0.000 0.509) 1.529 3.788 ( 0.378 0.000 -0.794) 0.879 3.821 ( 4.451 0.000 -2.377) 5.045 3.924 ( 1.155 0.000 11.988) 12.044 4.077 ( -1.281 0.000 -2.996) 3.258 4.151 ( -4.419 0.000 11.234) 12.072 4.204 ( 4.385 0.000 9.874) 10.803 4.284 ( 8.914 0.000 0.791) 8.949 4.396 ( 7.906 0.000 4.959) 9.333 4.555 ( 0.051 0.000 0.384) 0.388 4.565 ( 0.014 0.000 1.531) 1.531 4.639 ( 2.368 0.000 -0.468) 2.414 4.811 ( 1.735 0.000 3.188) 3.629 4.984 ( -0.371 0.000 0.075) 0.379 5.166 ( 4.899 0.000 -8.564) 9.866 5.225 ( -2.501 0.000 -11.576) 11.843 5.307 ( 6.041 0.000 -9.896) 11.595 6.582 ( -5.620 0.000 5.798) 8.075 6.793 ( -0.730 0.000 7.390) 7.426 6.906 ( -2.524 0.000 -3.581) 4.381 7.097 ( 2.506 0.000 3.397) 4.221 7.206 ( -0.502 0.000 -3.406) 3.443 7.447 ( 1.832 0.000 -5.941) 6.217 7.622 ( 0.455 0.000 1.438) 1.508 7.745 ( -2.563 0.000 -0.390) 2.593 7.843 ( -0.687 0.000 3.062) 3.138 7.878 ( -10.143 0.000 9.769) 14.083 7.910 ( 0.167 0.000 -0.564) 0.588 7.970 ( -5.491 0.000 2.971) 6.243 8.521 ( 8.698 0.000 6.546) 10.886 8.566 ( -3.751 0.000 7.818) 8.672 8.774 ( 6.186 0.000 1.703) 6.416 8.879 ( -3.550 0.000 -1.599) 3.893 9.371 ( 4.610 0.000 -4.800) 6.655 9.385 ( -2.681 0.000 -2.055) 3.378 9.461 ( -2.535 0.000 0.321) 2.555 9.670 ( 2.298 0.000 3.516) 4.201 9.863 ( 19.439 0.000 -30.841) 36.456 10.205 ( 0.862 0.000 -8.377) 8.421 10.496 ( -3.070 0.000 0.692) 3.147 10.529 ( -0.291 0.000 -1.049) 1.089 10.881 ( -6.964 0.000 6.068) 9.236 10.993 ( 2.202 0.000 3.257) 3.932 11.217 ( 3.448 0.000 -2.687) 4.371 11.265 ( -7.916 0.000 -4.486) 9.099 12.221 ( -18.449 0.000 17.147) 25.187 12.516 ( -7.755 0.000 -1.525) 7.904 12.915 ( -1.786 0.000 6.570) 6.809 13.152 ( -5.454 0.000 2.740) 6.103 13.198 ( 1.825 0.000 0.094) 1.827 13.635 ( -5.418 0.000 -9.466) 10.907 14.646 ( -10.863 0.000 5.329) 12.100 15.094 ( 7.940 0.000 4.937) 9.350 15.204 ( -6.875 0.000 -7.956) 10.515 15.333 ( -4.950 0.000 3.817) 6.251 15.844 ( -6.448 0.000 -0.027) 6.448 16.032 ( 3.742 0.000 -11.510) 12.103 16.252 ( 13.887 0.000 1.729) 13.994 16.372 ( 4.704 0.000 5.757) 7.435 16.390 ( 14.358 0.000 1.797) 14.470 16.934 ( 0.297 0.000 -5.214) 5.222 24.305 ( 0.085 0.000 3.007) 3.008 24.518 ( -0.135 0.000 0.375) 0.398 24.569 ( -1.085 0.000 -4.270) 4.406 24.581 ( -2.816 0.000 2.161) 3.550 24.792 ( -6.064 0.000 11.562) 13.056 24.969 ( -0.282 0.000 7.571) 7.577 25.154 ( -1.980 0.000 -1.921) 2.759 25.463 ( -0.061 0.000 -5.880) 5.881 26.977 ( -7.355 0.000 1.997) 7.622 27.125 ( -5.829 0.000 -1.118) 5.936 27.260 ( -1.547 0.000 0.307) 1.577 27.336 ( -0.400 0.000 -1.371) 1.428 27.477 ( 10.822 0.000 5.031) 11.934 27.523 ( -3.045 0.000 9.809) 10.271 28.295 ( -9.724 0.000 -2.821) 10.125 28.612 ( 20.872 0.000 -27.071) 34.183 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 6.816 0.000 6.153) 9.182 1.218 ( 16.285 0.000 7.017) 17.733 1.392 ( 6.564 0.000 20.122) 21.165 1.451 ( -2.131 0.000 0.811) 2.280 1.752 ( 7.693 0.000 2.130) 7.982 1.911 ( -2.239 0.000 -0.947) 2.432 1.933 ( 9.895 0.000 -0.085) 9.896 2.051 ( 5.796 0.000 -2.102) 6.165 2.249 ( 16.181 0.000 9.179) 18.604 2.667 ( -9.902 0.000 1.434) 10.005 3.002 ( -7.240 0.000 -6.497) 9.728 3.046 ( 7.427 0.000 3.930) 8.403 3.060 ( -0.345 0.000 -11.907) 11.912 3.224 ( -5.363 0.000 3.329) 6.312 3.272 ( 4.776 0.000 -0.217) 4.781 3.532 ( 8.917 0.000 6.374) 10.961 3.601 ( 8.485 0.000 -4.224) 9.479 3.735 ( 6.274 0.000 1.842) 6.539 3.754 ( 4.411 0.000 -2.695) 5.169 3.756 ( 2.502 0.000 2.641) 3.638 3.842 ( 7.358 0.000 -9.281) 11.844 3.904 ( 2.539 0.000 0.552) 2.598 3.929 ( 1.885 0.000 8.740) 8.941 4.039 ( -1.295 0.000 5.428) 5.580 4.157 ( 11.946 0.000 -3.503) 12.449 4.449 ( -0.228 0.000 1.510) 1.527 4.459 ( 8.008 0.000 2.841) 8.497 4.516 ( 4.439 0.000 1.651) 4.736 4.581 ( 1.278 0.000 6.205) 6.336 4.612 ( 9.021 0.000 -1.692) 9.178 4.737 ( 6.268 0.000 0.409) 6.281 4.859 ( 2.677 0.000 3.716) 4.580 4.993 ( 1.941 0.000 -2.195) 2.930 5.262 ( 6.876 0.000 -7.338) 10.056 5.319 ( 13.160 0.000 -7.968) 15.384 5.485 ( 11.929 0.000 -11.498) 16.568 6.507 ( -1.463 0.000 5.592) 5.780 6.769 ( -1.475 0.000 7.280) 7.428 6.862 ( -1.335 0.000 -3.945) 4.165 7.128 ( 0.186 0.000 3.415) 3.420 7.189 ( -1.115 0.000 -3.636) 3.803 7.478 ( 0.871 0.000 -5.791) 5.857 7.626 ( -0.134 0.000 0.824) 0.835 7.679 ( -3.561 0.000 2.403) 4.296 7.724 ( -3.582 0.000 3.900) 5.295 7.839 ( -5.408 0.000 0.178) 5.411 7.900 ( 1.936 0.000 0.197) 1.946 7.928 ( -0.187 0.000 -0.119) 0.221 8.503 ( -2.420 0.000 6.033) 6.500 8.656 ( 3.375 0.000 8.875) 9.495 8.800 ( -3.612 0.000 -1.983) 4.121 8.902 ( 5.957 0.000 3.451) 6.885 9.303 ( -4.625 0.000 -1.337) 4.814 9.356 ( -6.272 0.000 0.360) 6.282 9.505 ( 6.574 0.000 -4.694) 8.078 9.720 ( 2.252 0.000 3.970) 4.564 9.878 ( -11.812 0.000 -14.269) 18.524 10.248 ( 3.189 0.000 -7.789) 8.416 10.426 ( -3.195 0.000 1.859) 3.697 10.548 ( 1.273 0.000 -3.873) 4.077 10.687 ( -11.158 0.000 4.676) 12.099 11.011 ( -6.796 0.000 -2.679) 7.305 11.093 ( -1.577 0.000 2.009) 2.554 11.283 ( 2.353 0.000 -2.287) 3.281 12.010 ( -4.146 0.000 9.940) 10.770 12.368 ( -5.844 0.000 -3.108) 6.619 12.847 ( -3.991 0.000 7.540) 8.531 12.938 ( -10.414 0.000 5.574) 11.812 13.304 ( 4.321 0.000 -4.076) 5.941 13.522 ( -6.021 0.000 -10.357) 11.980 14.422 ( -9.606 0.000 5.562) 11.100 15.014 ( -8.144 0.000 -10.666) 13.419 15.277 ( -2.050 0.000 8.010) 8.268 15.280 ( 8.957 0.000 7.029) 11.386 15.673 ( -9.243 0.000 0.110) 9.243 16.104 ( 2.822 0.000 -8.665) 9.113 16.386 ( 0.351 0.000 8.472) 8.479 16.552 ( 13.654 0.000 2.080) 13.812 16.731 ( 14.606 0.000 -2.450) 14.810 16.936 ( -0.149 0.000 -5.167) 5.169 24.307 ( 0.160 0.000 2.634) 2.639 24.515 ( -0.184 0.000 0.933) 0.951 24.540 ( -0.499 0.000 0.191) 0.534 24.559 ( -0.350 0.000 0.864) 0.932 24.745 ( -0.686 0.000 2.996) 3.073 24.962 ( -0.334 0.000 7.293) 7.300 25.119 ( -1.022 0.000 -3.134) 3.296 25.439 ( -2.561 0.000 -5.758) 6.301 26.851 ( -4.863 0.000 1.977) 5.250 27.066 ( -1.436 0.000 -4.935) 5.140 27.210 ( -3.205 0.000 0.022) 3.205 27.310 ( -1.708 0.000 -1.504) 2.276 27.450 ( -3.170 0.000 10.515) 10.983 27.696 ( 9.294 0.000 5.588) 10.845 28.063 ( -11.172 0.000 0.013) 11.172 28.883 ( 8.416 0.000 -19.884) 21.592 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.809 0.000 3.684) 3.772 1.235 ( -3.696 0.000 -0.714) 3.765 1.607 ( 9.433 0.000 12.740) 15.852 1.708 ( 14.104 0.000 5.383) 15.097 1.905 ( 2.052 0.000 1.643) 2.629 1.947 ( 11.887 0.000 3.646) 12.434 2.054 ( 3.694 0.000 -1.925) 4.165 2.182 ( 7.261 0.000 -2.286) 7.613 2.415 ( 0.480 0.000 3.043) 3.081 2.495 ( -5.389 0.000 3.171) 6.252 2.757 ( -13.017 0.000 8.610) 15.607 2.875 ( -14.572 0.000 -3.924) 15.091 3.160 ( 0.477 0.000 -4.792) 4.816 3.254 ( 6.450 0.000 3.883) 7.528 3.385 ( 4.684 0.000 -4.828) 6.727 3.636 ( 2.907 0.000 -0.662) 2.982 3.680 ( 2.209 0.000 -6.515) 6.879 3.761 ( -2.126 0.000 0.750) 2.254 3.772 ( 0.957 0.000 5.922) 5.999 3.856 ( 0.995 0.000 5.707) 5.793 3.944 ( 1.686 0.000 -0.175) 1.696 3.994 ( 5.534 0.000 -6.779) 8.751 4.008 ( -1.097 0.000 1.021) 1.499 4.155 ( 15.145 0.000 0.978) 15.177 4.334 ( -4.637 0.000 -4.845) 6.707 4.427 ( 2.625 0.000 -1.073) 2.836 4.565 ( 2.784 0.000 1.928) 3.386 4.605 ( 2.474 0.000 11.749) 12.007 4.686 ( 15.707 0.000 -4.430) 16.320 4.802 ( -0.487 0.000 2.098) 2.154 4.879 ( 13.908 0.000 4.459) 14.606 4.908 ( 2.028 0.000 3.836) 4.339 5.022 ( 0.304 0.000 -1.358) 1.392 5.458 ( 11.001 0.000 -7.791) 13.481 5.655 ( 14.789 0.000 -8.523) 17.069 5.754 ( 10.928 0.000 -11.568) 15.913 6.515 ( 1.617 0.000 5.566) 5.796 6.738 ( -1.372 0.000 6.963) 7.097 6.854 ( 0.333 0.000 -3.527) 3.542 7.110 ( -1.494 0.000 3.727) 4.015 7.164 ( -1.144 0.000 -3.943) 4.106 7.482 ( -0.249 0.000 -5.986) 5.991 7.616 ( -2.322 0.000 2.646) 3.521 7.628 ( 1.041 0.000 -0.036) 1.042 7.696 ( 1.446 0.000 1.859) 2.355 7.753 ( -2.625 0.000 0.266) 2.638 7.895 ( -3.599 0.000 1.523) 3.908 7.914 ( -1.090 0.000 0.355) 1.146 8.463 ( -1.458 0.000 4.029) 4.284 8.658 ( -2.235 0.000 4.321) 4.865 8.753 ( -0.927 0.000 0.966) 1.339 9.009 ( 4.218 0.000 5.269) 6.749 9.199 ( -7.725 0.000 1.268) 7.828 9.221 ( -2.678 0.000 -1.124) 2.905 9.532 ( -16.950 0.000 -8.922) 19.155 9.643 ( 6.064 0.000 -7.208) 9.420 9.779 ( 1.608 0.000 5.680) 5.903 10.314 ( 2.438 0.000 -7.647) 8.026 10.369 ( -2.911 0.000 4.539) 5.392 10.478 ( -7.153 0.000 2.302) 7.515 10.563 ( 0.331 0.000 -3.174) 3.191 10.806 ( -8.570 0.000 -4.456) 9.659 11.147 ( 2.974 0.000 3.535) 4.620 11.307 ( 0.234 0.000 -0.914) 0.943 11.979 ( -0.032 0.000 4.886) 4.886 12.286 ( -2.252 0.000 -3.914) 4.516 12.773 ( -5.318 0.000 6.624) 8.494 12.775 ( -2.694 0.000 8.036) 8.476 13.358 ( 1.181 0.000 -6.325) 6.435 13.401 ( -5.099 0.000 -9.272) 10.581 14.275 ( -4.643 0.000 5.801) 7.431 14.901 ( -3.102 0.000 -11.479) 11.891 15.242 ( -1.313 0.000 5.240) 5.402 15.421 ( 3.502 0.000 5.049) 6.144 15.511 ( -4.837 0.000 3.799) 6.151 16.140 ( 0.784 0.000 -2.259) 2.391 16.398 ( 0.729 0.000 4.786) 4.842 16.774 ( 7.549 0.000 2.296) 7.891 16.929 ( -0.406 0.000 -5.293) 5.308 16.963 ( 7.758 0.000 -2.386) 8.116 24.310 ( 0.142 0.000 2.101) 2.106 24.511 ( -0.157 0.000 1.772) 1.779 24.544 ( 0.542 0.000 -2.025) 2.097 24.557 ( 0.063 0.000 2.587) 2.587 24.734 ( -0.415 0.000 0.211) 0.466 24.956 ( -0.234 0.000 6.999) 7.003 25.121 ( 1.201 0.000 -4.645) 4.798 25.363 ( -4.292 0.000 -4.876) 6.496 26.777 ( -2.389 0.000 2.370) 3.365 27.042 ( -0.997 0.000 -6.440) 6.516 27.146 ( -2.492 0.000 1.174) 2.755 27.276 ( -1.381 0.000 -1.790) 2.261 27.405 ( -1.266 0.000 9.056) 9.144 27.790 ( -1.927 0.000 -2.434) 3.105 27.931 ( 0.465 0.000 10.744) 10.754 29.005 ( 3.813 0.000 -16.228) 16.670 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 0.000 3.953) 3.953 1.197 ( 0.000 0.000 -0.195) 0.195 1.703 ( 0.000 0.000 9.240) 9.240 1.833 ( 0.000 0.000 3.356) 3.356 1.954 ( 0.000 0.000 2.440) 2.440 2.077 ( 0.000 0.000 -2.680) 2.680 2.191 ( -0.000 0.000 5.331) 5.331 2.299 ( -0.000 0.000 -1.499) 1.499 2.326 ( 0.000 0.000 -2.502) 2.502 2.543 ( -0.000 0.000 -3.463) 3.463 2.571 ( 0.000 0.000 5.265) 5.265 2.604 ( 0.000 0.000 16.455) 16.455 3.165 ( 0.000 0.000 -5.100) 5.100 3.321 ( 0.000 0.000 1.510) 1.510 3.436 ( 0.000 0.000 -3.367) 3.367 3.687 ( -0.000 0.000 -3.435) 3.435 3.710 ( 0.000 0.000 -2.909) 2.909 3.710 ( 0.000 0.000 -9.500) 9.500 3.774 ( 0.000 0.000 7.192) 7.192 3.866 ( 0.000 0.000 5.065) 5.065 3.963 ( 0.000 0.000 0.246) 0.246 3.991 ( 0.000 0.000 0.073) 0.073 4.061 ( 0.000 0.000 -3.054) 3.054 4.262 ( 0.000 0.000 -7.197) 7.197 4.330 ( 0.000 0.000 2.226) 2.226 4.442 ( 0.000 0.000 1.127) 1.127 4.565 ( 0.000 0.000 9.044) 9.044 4.715 ( 0.000 0.000 9.023) 9.023 4.740 ( -0.000 0.000 -0.226) 0.226 4.884 ( -0.000 0.000 -4.852) 4.852 4.914 ( 0.000 0.000 1.693) 1.693 5.005 ( 0.000 0.000 -1.773) 1.773 5.088 ( 0.000 0.000 6.783) 6.783 5.613 ( 0.000 0.000 -7.363) 7.363 5.810 ( 0.000 0.000 -9.983) 9.983 5.851 ( 0.000 0.000 -11.796) 11.796 6.538 ( 0.000 0.000 5.477) 5.477 6.722 ( 0.000 0.000 6.856) 6.856 6.860 ( 0.000 0.000 -3.134) 3.134 7.090 ( 0.000 0.000 4.017) 4.017 7.150 ( 0.000 0.000 -4.148) 4.148 7.478 ( 0.000 0.000 -6.076) 6.076 7.592 ( 0.000 0.000 2.557) 2.557 7.660 ( 0.000 0.000 -2.323) 2.323 7.741 ( -0.000 0.000 1.123) 1.123 7.756 ( 0.000 0.000 0.288) 0.288 7.815 ( 0.000 0.000 4.633) 4.633 7.868 ( 0.000 0.000 1.765) 1.765 8.447 ( 0.000 0.000 2.860) 2.860 8.624 ( 0.000 0.000 0.973) 0.973 8.746 ( 0.000 0.000 2.594) 2.594 9.061 ( 0.000 0.000 7.732) 7.732 9.108 ( 0.000 0.000 1.296) 1.296 9.208 ( 0.000 0.000 -0.899) 0.899 9.307 ( 0.000 0.000 -8.985) 8.985 9.714 ( 0.000 0.000 -8.261) 8.261 9.797 ( 0.000 0.000 5.728) 5.728 10.307 ( 0.000 0.000 2.303) 2.303 10.348 ( 0.000 0.000 -4.268) 4.268 10.422 ( 0.000 0.000 1.427) 1.427 10.567 ( 0.000 0.000 -2.826) 2.826 10.713 ( 0.000 0.000 -4.316) 4.316 11.180 ( 0.000 0.000 3.069) 3.069 11.306 ( 0.000 0.000 -0.113) 0.113 11.981 ( 0.000 0.000 3.614) 3.614 12.265 ( 0.000 0.000 -4.093) 4.093 12.719 ( 0.000 0.000 7.257) 7.257 12.746 ( 0.000 0.000 8.741) 8.741 13.343 ( 0.000 0.000 -9.232) 9.232 13.367 ( 0.000 0.000 -7.557) 7.557 14.228 ( 0.000 0.000 5.937) 5.937 14.872 ( 0.000 0.000 -11.851) 11.851 15.228 ( 0.000 0.000 4.040) 4.040 15.412 ( 0.000 0.000 -1.218) 1.218 15.503 ( 0.000 0.000 10.763) 10.763 16.146 ( 0.000 0.000 0.468) 0.468 16.407 ( 0.000 0.000 3.055) 3.055 16.852 ( 0.000 0.000 2.398) 2.398 16.924 ( 0.000 0.000 -5.413) 5.413 17.043 ( 0.000 0.000 -2.392) 2.392 24.312 ( 0.000 0.000 1.821) 1.821 24.509 ( 0.000 0.000 2.194) 2.194 24.552 ( -0.000 0.000 -5.665) 5.665 24.557 ( 0.000 0.000 5.846) 5.846 24.729 ( 0.000 0.000 -0.384) 0.384 24.954 ( 0.000 0.000 6.863) 6.863 25.145 ( 0.000 0.000 -6.159) 6.159 25.304 ( 0.000 0.000 -3.442) 3.442 26.752 ( 0.000 0.000 2.530) 2.530 27.029 ( 0.000 0.000 -6.685) 6.685 27.120 ( 0.000 0.000 1.624) 1.624 27.261 ( 0.000 0.000 -1.924) 1.924 27.393 ( 0.000 0.000 8.301) 8.301 27.748 ( 0.000 0.000 -2.812) 2.812 27.958 ( 0.000 0.000 12.096) 12.096 29.044 ( 0.000 0.000 -15.307) 15.307 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 21.909 18.443) 28.638 0.907 ( 0.000 20.040 23.486) 30.874 1.326 ( 0.000 27.830 17.970) 33.128 1.621 ( 0.000 19.631 10.220) 22.132 1.638 ( 0.000 0.665 4.373) 4.423 1.843 ( 0.000 2.557 -5.172) 5.769 2.019 ( 0.000 11.557 -0.889) 11.591 2.083 ( 0.000 13.423 -8.729) 16.012 2.105 ( 0.000 3.790 -15.265) 15.728 2.724 ( 0.000 2.186 4.430) 4.940 2.851 ( 0.000 -2.028 -2.648) 3.335 2.965 ( 0.000 -3.587 0.569) 3.632 3.016 ( 0.000 -1.099 -4.395) 4.530 3.078 ( 0.000 -3.205 -6.815) 7.531 3.262 ( 0.000 -2.923 -7.651) 8.190 3.279 ( 0.000 -3.560 7.436) 8.245 3.400 ( 0.000 -1.580 0.599) 1.690 3.414 ( 0.000 -4.413 7.915) 9.062 3.604 ( 0.000 -7.035 -3.646) 7.924 3.740 ( 0.000 -2.596 0.985) 2.776 3.803 ( 0.000 4.048 -10.565) 11.314 3.866 ( 0.000 3.343 -0.461) 3.374 3.889 ( 0.000 -3.859 16.641) 17.083 3.931 ( 0.000 0.440 -2.830) 2.864 4.066 ( 0.000 -3.991 -6.939) 8.005 4.176 ( 0.000 -11.702 18.971) 22.290 4.188 ( 0.000 -0.571 4.278) 4.315 4.265 ( 0.000 -2.716 7.791) 8.251 4.588 ( 0.000 5.460 -5.681) 7.879 4.636 ( 0.000 1.708 0.191) 1.719 4.720 ( 0.000 -6.419 3.290) 7.214 4.789 ( 0.000 1.634 -0.695) 1.776 4.864 ( 0.000 -1.923 0.086) 1.925 5.034 ( 0.000 2.720 2.664) 3.808 5.188 ( 0.000 -4.845 -2.802) 5.596 5.233 ( 0.000 -3.847 -12.719) 13.288 6.712 ( 0.000 6.165 7.793) 9.936 6.827 ( 0.000 2.762 6.353) 6.927 7.071 ( 0.000 1.195 3.310) 3.519 7.215 ( 0.000 0.401 -3.065) 3.091 7.308 ( 0.000 13.209 -14.713) 19.773 7.471 ( 0.000 4.431 -6.432) 7.810 7.620 ( 0.000 -0.042 1.144) 1.145 7.782 ( 0.000 0.199 -1.926) 1.936 7.831 ( 0.000 1.891 1.107) 2.192 7.896 ( 0.000 -0.879 -0.005) 0.879 7.957 ( 0.000 -6.592 10.187) 12.134 8.383 ( 0.000 0.085 -7.804) 7.804 8.386 ( 0.000 -0.884 1.777) 1.984 8.554 ( 0.000 -1.190 -3.238) 3.449 8.796 ( 0.000 -11.669 10.254) 15.534 8.824 ( 0.000 7.982 4.044) 8.948 8.987 ( 0.000 6.262 -1.251) 6.385 9.280 ( 0.000 -13.379 -2.567) 13.623 9.446 ( 0.000 -3.490 -0.336) 3.506 9.528 ( 0.000 6.957 -9.760) 11.986 9.648 ( 0.000 -0.750 4.917) 4.974 10.213 ( 0.000 1.097 -9.213) 9.278 10.521 ( 0.000 -4.034 2.539) 4.767 10.569 ( 0.000 2.486 -0.452) 2.527 10.868 ( 0.000 -7.290 3.216) 7.967 10.927 ( 0.000 -2.517 6.580) 7.045 11.107 ( 0.000 -7.112 -3.000) 7.719 11.299 ( 0.000 -4.800 -3.452) 5.913 12.163 ( 0.000 -7.589 18.653) 20.138 12.866 ( 0.000 -2.565 2.929) 3.894 12.959 ( 0.000 4.851 -18.010) 18.652 13.101 ( 0.000 0.389 -2.885) 2.912 13.474 ( 0.000 12.801 6.784) 14.487 13.924 ( 0.000 16.240 -6.607) 17.533 14.714 ( 0.000 -5.871 5.226) 7.860 15.007 ( 0.000 -0.277 2.744) 2.758 15.221 ( 0.000 1.379 -4.597) 4.800 15.427 ( 0.000 -1.945 -9.262) 9.464 15.463 ( 0.000 -18.932 18.478) 26.455 15.928 ( 0.000 -6.411 -4.889) 8.062 16.104 ( 0.000 1.056 2.942) 3.126 16.246 ( 0.000 7.508 -1.427) 7.643 16.339 ( 0.000 -1.043 11.035) 11.085 16.912 ( 0.000 -1.750 -5.348) 5.627 24.305 ( 0.000 0.215 2.930) 2.938 24.506 ( 0.000 -1.136 0.642) 1.305 24.563 ( 0.000 -1.769 0.382) 1.810 24.563 ( 0.000 -1.493 -4.150) 4.410 24.800 ( 0.000 -0.975 15.436) 15.466 24.967 ( 0.000 0.305 7.398) 7.404 25.497 ( 0.000 3.561 -6.537) 7.444 25.707 ( 0.000 17.820 -26.180) 31.669 27.085 ( 0.000 -1.954 3.552) 4.054 27.143 ( 0.000 -6.182 1.556) 6.375 27.261 ( 0.000 -4.369 -1.801) 4.726 27.357 ( 0.000 -3.552 -2.962) 4.625 27.445 ( 0.000 6.560 2.825) 7.142 27.622 ( 0.000 9.645 -1.886) 9.827 27.659 ( 0.000 -14.151 25.436) 29.108 28.504 ( 0.000 -2.770 -11.396) 11.727 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 12.242 13.224 15.486) 23.761 1.067 ( 14.491 19.970 14.862) 28.804 1.497 ( 3.878 13.932 4.340) 15.099 1.636 ( 8.305 12.465 6.990) 16.529 1.690 ( 3.650 5.386 3.151) 7.229 1.866 ( -1.834 19.048 8.666) 21.007 1.909 ( 1.051 0.074 -2.339) 2.566 2.059 ( -0.686 7.862 -4.138) 8.911 2.199 ( 6.913 14.346 -5.884) 16.977 2.789 ( 1.135 0.800 -1.504) 2.048 2.840 ( 4.345 -2.859 -5.045) 7.246 2.941 ( 0.155 -4.216 2.019) 4.677 3.075 ( 0.131 -2.202 -5.765) 6.173 3.181 ( 7.890 -1.088 -3.016) 8.517 3.277 ( 3.890 -2.727 -1.116) 4.880 3.349 ( 3.832 -2.508 1.938) 4.973 3.407 ( 3.429 -1.056 4.508) 5.762 3.521 ( 6.907 -4.585 1.713) 8.465 3.605 ( 2.070 -5.646 -3.728) 7.075 3.733 ( 0.097 -2.495 0.748) 2.607 3.808 ( -0.925 2.454 -2.664) 3.738 3.836 ( 0.539 1.569 -1.211) 2.054 3.927 ( 2.929 -1.083 8.674) 9.219 4.060 ( 4.403 -0.555 -0.312) 4.449 4.082 ( -1.196 -4.060 8.458) 9.458 4.162 ( 8.307 -2.510 2.174) 8.946 4.258 ( 8.395 -1.351 2.958) 9.003 4.353 ( 7.087 -1.453 4.847) 8.709 4.582 ( -0.843 3.020 -2.238) 3.852 4.663 ( -0.884 3.962 -0.413) 4.080 4.675 ( 1.861 4.448 1.566) 5.069 4.757 ( 3.184 -5.446 3.034) 7.000 4.951 ( 1.216 -2.788 -0.835) 3.154 5.115 ( 4.218 -3.268 -5.870) 7.933 5.212 ( 0.039 -1.366 -8.774) 8.879 5.239 ( 6.110 -4.519 -5.011) 9.103 6.634 ( -5.463 5.212 6.907) 10.233 6.823 ( -0.693 2.875 6.261) 6.924 7.114 ( 2.481 1.767 2.981) 4.262 7.148 ( -10.741 13.359 -9.234) 19.471 7.209 ( -0.751 0.503 -3.189) 3.315 7.508 ( 2.052 4.453 -5.989) 7.740 7.621 ( -0.012 0.137 1.891) 1.896 7.761 ( -2.284 1.293 -1.108) 2.849 7.837 ( -1.405 -0.459 3.356) 3.667 7.860 ( -4.447 -1.351 5.613) 7.288 7.894 ( -0.763 -1.426 0.007) 1.617 7.986 ( -10.626 2.138 1.681) 10.969 8.435 ( 2.507 -4.074 5.458) 7.258 8.670 ( 4.666 4.306 6.864) 9.350 8.801 ( 2.002 3.610 -0.609) 4.172 8.912 ( -1.558 2.274 0.009) 2.756 9.169 ( 4.882 -10.657 -3.473) 12.225 9.397 ( -1.969 -6.024 -0.578) 6.364 9.413 ( 4.135 -8.978 -1.485) 9.995 9.624 ( 7.740 -5.442 -16.443) 18.971 9.691 ( 3.778 -0.278 4.581) 5.944 10.236 ( 2.926 0.936 -9.515) 9.999 10.499 ( -2.426 -1.990 2.231) 3.850 10.574 ( 0.264 3.237 -1.814) 3.720 10.856 ( -6.722 -2.306 6.031) 9.321 10.880 ( 1.200 -9.265 3.440) 9.956 11.136 ( 2.492 -8.860 -3.550) 9.864 11.219 ( -7.454 -4.255 -3.779) 9.378 12.104 ( -4.576 -2.465 15.204) 16.068 12.659 ( -16.614 7.515 -7.129) 19.579 12.886 ( -2.993 -2.634 5.017) 6.408 13.159 ( 3.989 -1.473 -3.076) 5.248 13.318 ( -11.148 12.684 6.811) 18.209 13.844 ( -5.251 16.398 -10.016) 19.919 14.588 ( -10.642 -5.636 5.659) 13.305 15.080 ( 4.267 -1.944 0.786) 4.754 15.195 ( -4.876 -0.706 -4.813) 6.888 15.310 ( -2.976 -2.179 7.237) 8.123 15.735 ( 11.820 -7.961 -1.705) 14.352 15.969 ( 2.089 -3.323 -7.966) 8.880 16.234 ( 11.148 -1.348 2.747) 11.560 16.343 ( 2.736 -1.005 8.188) 8.692 16.397 ( 12.402 1.282 0.786) 12.493 16.916 ( 0.271 -1.831 -5.331) 5.644 24.305 ( 0.049 0.182 2.861) 2.867 24.504 ( -0.146 -1.208 0.718) 1.413 24.549 ( -0.663 -1.150 -2.699) 3.008 24.570 ( 0.291 -0.151 -0.191) 0.380 24.776 ( -1.708 0.675 11.846) 11.988 24.966 ( -0.140 0.133 7.441) 7.444 25.414 ( -10.900 12.030 -7.848) 18.031 25.534 ( -4.301 8.905 -8.851) 13.272 26.964 ( -6.628 -1.113 2.319) 7.110 27.112 ( -4.155 -2.063 -0.083) 4.639 27.209 ( -0.178 -2.602 -1.357) 2.940 27.340 ( -1.542 -0.701 -2.060) 2.667 27.515 ( -0.821 0.763 9.378) 9.445 27.552 ( 6.461 4.529 6.877) 10.466 28.075 ( 10.064 -13.064 -2.176) 16.634 28.533 ( 7.032 -6.419 -14.905) 17.686 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.351 9.117 3.887) 12.960 1.384 ( 9.308 13.656 5.295) 17.354 1.432 ( -0.073 6.552 2.331) 6.954 1.655 ( 1.105 11.897 10.498) 15.904 1.812 ( 8.298 7.448 4.746) 12.118 1.930 ( 0.409 1.132 -2.224) 2.529 2.027 ( 6.789 9.563 3.796) 12.327 2.088 ( 3.925 5.974 -1.884) 7.393 2.379 ( 4.995 6.580 0.476) 8.274 2.697 ( -5.373 3.952 2.903) 7.275 2.926 ( -1.761 -4.442 -10.676) 11.696 2.996 ( 7.310 -2.237 6.107) 9.784 3.118 ( -3.474 3.227 -7.785) 9.116 3.201 ( -3.149 -2.250 4.953) 6.285 3.318 ( 5.446 1.938 0.242) 5.785 3.498 ( 7.019 -2.912 5.192) 9.203 3.581 ( 7.115 -4.056 -2.591) 8.590 3.650 ( 9.952 -4.395 1.705) 11.013 3.740 ( 5.087 -4.393 1.071) 6.806 3.745 ( 7.021 0.481 -2.455) 7.454 3.783 ( -2.034 -2.570 3.947) 5.130 3.890 ( 3.756 2.412 -4.753) 6.521 4.026 ( 2.813 2.155 4.236) 5.522 4.061 ( 2.441 1.977 -0.813) 3.245 4.135 ( 7.642 -0.589 -1.058) 7.737 4.433 ( 11.882 -3.376 4.859) 13.273 4.472 ( 6.343 0.856 -0.315) 6.409 4.475 ( 6.922 1.030 2.881) 7.568 4.593 ( 3.994 -0.589 -0.563) 4.076 4.635 ( -2.073 3.461 1.803) 4.419 4.772 ( 5.984 2.398 2.206) 6.814 4.832 ( 3.583 -3.285 3.272) 5.859 4.985 ( 3.143 -0.980 -2.331) 4.034 5.242 ( 8.470 -2.008 -5.953) 10.545 5.320 ( 12.741 -0.095 -6.676) 14.384 5.428 ( 12.709 -4.459 -8.317) 15.830 6.548 ( -2.371 3.887 5.665) 7.268 6.798 ( -1.683 2.438 6.199) 6.871 6.966 ( -5.808 7.937 -5.655) 11.344 7.152 ( 0.367 2.225 2.700) 3.518 7.188 ( -1.316 0.305 -2.709) 3.027 7.534 ( 0.380 4.227 -5.642) 7.060 7.610 ( -1.155 -1.075 2.994) 3.385 7.700 ( -2.768 1.515 0.049) 3.156 7.761 ( -2.868 3.457 1.932) 4.890 7.818 ( -4.923 -1.426 0.493) 5.149 7.884 ( 0.845 -1.487 0.027) 1.711 7.895 ( -0.568 -2.965 0.301) 3.034 8.459 ( -0.211 -3.921 7.012) 8.037 8.724 ( 0.318 7.502 5.727) 9.444 8.833 ( -1.120 1.312 -2.231) 2.820 8.904 ( 2.186 -0.409 2.944) 3.690 9.184 ( -2.080 -10.149 -1.722) 10.502 9.305 ( -4.766 -2.150 1.094) 5.342 9.480 ( 0.671 -9.900 -5.123) 11.167 9.654 ( -3.067 -5.924 -9.733) 11.799 9.769 ( 3.517 1.689 5.648) 6.865 10.310 ( 3.355 1.304 -8.324) 9.069 10.430 ( -3.627 -0.028 2.049) 4.166 10.573 ( -0.453 2.123 -3.430) 4.059 10.671 ( -10.369 -1.311 4.342) 11.318 10.910 ( 0.546 -11.266 2.054) 11.464 11.022 ( -9.581 -4.442 -2.196) 10.787 11.190 ( 2.053 -10.703 -3.465) 11.436 12.021 ( -2.946 2.447 8.730) 9.533 12.381 ( -9.763 4.009 -3.336) 11.068 12.814 ( -3.880 -3.210 6.824) 8.481 13.097 ( -9.447 13.516 5.801) 17.481 13.235 ( 2.956 -4.418 -3.933) 6.612 13.727 ( -6.180 15.333 -10.826) 19.761 14.370 ( -9.263 -5.014 5.718) 11.984 14.962 ( -7.806 -4.893 -10.713) 14.129 15.270 ( 0.164 -0.122 8.795) 8.797 15.307 ( 6.857 1.819 7.438) 10.279 15.729 ( -6.991 5.111 -1.507) 8.791 16.084 ( 5.881 -1.651 -9.199) 11.042 16.351 ( 1.544 -2.597 9.482) 9.952 16.519 ( 12.588 -2.985 2.402) 13.158 16.704 ( 14.304 -2.024 -2.270) 14.624 16.918 ( -0.184 -1.937 -5.347) 5.690 24.307 ( 0.118 0.103 2.596) 2.601 24.500 ( -0.217 -1.364 1.147) 1.795 24.541 ( -0.061 -0.296 -3.874) 3.886 24.578 ( 0.494 1.753 2.071) 2.758 24.747 ( -1.037 0.766 5.856) 5.997 24.961 ( -0.298 -0.017 7.325) 7.331 25.238 ( -5.190 9.402 -4.654) 11.705 25.473 ( -3.522 3.156 -6.513) 8.049 26.848 ( -4.584 -0.211 2.217) 5.096 27.060 ( -1.480 -1.165 -3.047) 3.582 27.171 ( -3.188 -2.926 -1.346) 4.532 27.299 ( -2.236 -1.334 -1.932) 3.242 27.469 ( -1.961 2.163 10.345) 10.749 27.732 ( 8.253 2.915 5.198) 10.180 28.029 ( -7.384 -2.428 -0.425) 7.784 28.747 ( 9.667 -11.302 -15.713) 21.635 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -3.502 7.594 -1.841) 8.563 1.328 ( 0.095 10.367 -1.049) 10.420 1.648 ( 7.353 4.175 8.830) 12.226 1.825 ( 11.743 7.743 6.736) 15.596 1.931 ( 1.171 4.380 0.276) 4.542 2.014 ( 9.624 4.224 3.652) 11.126 2.135 ( 4.966 6.158 1.251) 8.010 2.167 ( 3.518 3.650 -0.169) 5.073 2.358 ( -3.307 -1.981 0.815) 3.940 2.597 ( -5.135 4.380 0.720) 6.787 2.809 ( -9.992 4.007 7.987) 13.405 2.906 ( -8.631 1.739 -1.040) 8.866 3.120 ( 0.335 -1.895 0.291) 1.946 3.239 ( 4.955 -0.051 -3.476) 6.053 3.395 ( 1.933 0.402 -0.420) 2.018 3.568 ( 1.708 -7.517 -2.945) 8.252 3.724 ( 0.601 -3.002 -0.103) 3.063 3.728 ( 2.893 -1.414 -0.541) 3.265 3.754 ( 1.354 0.104 0.999) 1.686 3.806 ( 3.721 0.529 -2.152) 4.331 3.932 ( 1.031 -1.387 1.273) 2.146 4.006 ( 0.039 0.308 -0.104) 0.327 4.062 ( -0.602 3.896 -2.375) 4.602 4.093 ( 14.015 -2.577 2.948) 14.551 4.333 ( 2.015 -1.558 -2.128) 3.319 4.468 ( 1.260 2.695 -0.411) 3.003 4.581 ( -0.822 0.915 5.624) 5.757 4.589 ( 4.565 1.003 2.551) 5.324 4.714 ( 10.020 0.747 -2.770) 10.423 4.775 ( 5.685 -0.190 0.932) 5.764 4.896 ( 3.326 -1.450 3.755) 5.222 4.913 ( 11.709 2.290 7.154) 13.911 5.047 ( 2.281 1.804 -1.497) 3.271 5.456 ( 12.082 -0.303 -7.091) 14.012 5.653 ( 15.130 -0.875 -6.715) 16.576 5.718 ( 11.836 -2.558 -8.864) 15.007 6.536 ( 0.702 2.292 4.903) 5.458 6.760 ( -1.732 1.685 6.038) 6.504 6.896 ( -1.592 3.584 -4.272) 5.799 7.137 ( -1.292 2.565 2.588) 3.866 7.160 ( -1.228 0.122 -2.853) 3.109 7.527 ( -0.688 3.991 -5.934) 7.184 7.581 ( -1.414 -2.341 3.172) 4.188 7.660 ( -1.019 1.030 -1.217) 1.892 7.725 ( 0.059 2.313 0.775) 2.440 7.741 ( -1.638 -0.362 1.318) 2.133 7.865 ( -2.748 -2.716 1.122) 4.024 7.895 ( -0.575 -1.770 0.075) 1.863 8.428 ( -2.491 -3.461 5.893) 7.274 8.707 ( -1.549 5.996 2.489) 6.674 8.791 ( -2.178 3.151 -0.626) 3.881 8.920 ( -1.395 -8.569 3.920) 9.526 9.125 ( -2.388 -7.952 -2.703) 8.732 9.237 ( -1.627 2.756 2.436) 4.022 9.338 ( -11.169 -12.879 -5.477) 17.906 9.676 ( 3.997 2.678 -5.888) 7.604 9.824 ( 1.702 2.695 5.968) 6.766 10.364 ( -3.171 -0.355 4.194) 5.270 10.370 ( 2.467 2.607 -7.416) 8.239 10.465 ( -6.772 -1.252 2.019) 7.176 10.574 ( -0.609 1.002 -4.186) 4.347 10.781 ( -8.027 -2.360 -4.401) 9.454 10.987 ( 1.807 -14.762 4.443) 15.521 11.211 ( 0.127 -11.233 -2.073) 11.424 11.985 ( -0.869 2.558 4.492) 5.242 12.246 ( -3.863 0.238 -2.879) 4.824 12.742 ( -2.722 -3.170 7.442) 8.534 12.954 ( -4.375 15.085 6.480) 16.991 13.277 ( 1.333 -6.110 -5.879) 8.584 13.601 ( -5.508 15.146 -9.754) 18.838 14.229 ( -4.390 -4.430 5.826) 8.535 14.853 ( -2.997 -4.633 -11.589) 12.835 15.246 ( -1.127 0.562 6.028) 6.158 15.445 ( 4.954 1.546 8.587) 10.034 15.583 ( -5.969 7.169 -0.188) 9.331 16.157 ( 1.563 1.613 -2.538) 3.389 16.387 ( 1.793 -0.836 4.462) 4.881 16.730 ( 7.297 -4.107 2.538) 8.749 16.908 ( 0.049 -2.063 -5.116) 5.516 16.938 ( 7.307 -2.449 -2.821) 8.206 24.310 ( 0.117 0.027 2.160) 2.164 24.496 ( -0.178 -1.457 1.842) 2.355 24.545 ( 0.347 -0.100 -4.996) 5.009 24.589 ( 0.452 2.703 3.628) 4.547 24.731 ( -0.546 0.136 2.307) 2.374 24.955 ( -0.249 -0.109 7.080) 7.085 25.187 ( -0.134 5.725 -4.982) 7.590 25.383 ( -4.778 1.813 -5.304) 7.365 26.777 ( -2.302 0.107 2.525) 3.418 27.039 ( -0.701 -0.784 -4.701) 4.818 27.104 ( -2.786 -3.453 0.391) 4.454 27.257 ( -1.677 -1.931 -2.105) 3.312 27.442 ( -0.699 3.784 8.495) 9.326 27.821 ( -1.251 3.047 -2.359) 4.051 27.938 ( 0.846 0.566 9.319) 9.375 28.890 ( 4.416 -10.442 -14.136) 18.121 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 5.897 -1.108) 6.000 1.328 ( -0.000 13.158 -0.530) 13.169 1.724 ( 0.000 1.913 7.042) 7.297 1.948 ( -0.000 9.858 2.523) 10.176 1.952 ( 0.000 0.324 1.785) 1.814 2.152 ( -0.000 -10.393 -1.591) 10.514 2.177 ( -0.000 8.615 -2.534) 8.980 2.265 ( -0.000 8.415 7.668) 11.385 2.311 ( 0.000 -0.784 -1.299) 1.517 2.565 ( -0.000 4.222 10.220) 11.058 2.591 ( 0.000 3.139 1.673) 3.557 2.818 ( 0.000 9.948 6.653) 11.968 3.124 ( 0.000 -2.932 -2.353) 3.760 3.294 ( -0.000 -1.323 -3.127) 3.395 3.412 ( 0.000 -0.367 -0.839) 0.916 3.591 ( 0.000 -9.602 -5.373) 11.003 3.688 ( 0.000 -1.832 -1.747) 2.532 3.758 ( 0.000 -3.958 1.517) 4.239 3.827 ( 0.000 7.976 -10.191) 12.941 3.828 ( -0.000 -0.945 2.232) 2.423 3.941 ( 0.000 -1.990 5.913) 6.239 3.983 ( -0.000 -0.718 -1.143) 1.349 4.053 ( 0.000 -0.390 -4.030) 4.049 4.258 ( -0.000 1.178 4.770) 4.914 4.324 ( 0.000 0.947 -2.820) 2.975 4.519 ( 0.000 -3.873 8.102) 8.980 4.540 ( -0.000 6.080 -0.961) 6.155 4.660 ( 0.000 -3.418 5.653) 6.606 4.742 ( 0.000 0.253 -0.211) 0.329 4.877 ( 0.000 -0.762 -4.256) 4.324 4.921 ( 0.000 0.102 4.390) 4.392 5.070 ( -0.000 4.018 -1.277) 4.216 5.114 ( 0.000 2.874 6.831) 7.411 5.636 ( -0.000 2.187 -6.911) 7.249 5.810 ( 0.000 -2.056 -8.492) 8.738 5.825 ( 0.000 -0.313 -8.228) 8.234 6.548 ( 0.000 1.493 4.551) 4.790 6.739 ( 0.000 1.199 6.166) 6.282 6.881 ( 0.000 1.867 -3.735) 4.175 7.120 ( 0.000 3.079 3.234) 4.465 7.147 ( -0.000 -0.094 -3.667) 3.668 7.519 ( 0.000 3.899 -6.062) 7.208 7.564 ( 0.000 -2.485 2.756) 3.711 7.651 ( 0.000 -1.120 -1.933) 2.234 7.749 ( 0.000 -0.388 0.388) 0.549 7.764 ( 0.000 0.505 0.734) 0.891 7.796 ( -0.000 -1.476 3.904) 4.174 7.869 ( -0.000 -0.139 0.650) 0.664 8.392 ( 0.000 -4.189 4.532) 6.171 8.680 ( 0.000 4.752 -0.765) 4.813 8.766 ( 0.000 1.991 1.710) 2.625 8.892 ( 0.000 -10.532 3.917) 11.236 9.114 ( 0.000 -8.278 -2.145) 8.551 9.177 ( 0.000 -7.895 -6.863) 10.460 9.237 ( 0.000 6.472 5.246) 8.331 9.728 ( 0.000 1.482 -6.431) 6.600 9.840 ( 0.000 2.656 5.949) 6.515 10.310 ( 0.000 0.176 5.123) 5.126 10.403 ( -0.000 3.544 -7.623) 8.406 10.406 ( 0.000 -1.473 0.861) 1.706 10.567 ( 0.000 -0.351 -3.742) 3.758 10.692 ( 0.000 -1.572 -4.245) 4.527 11.008 ( 0.000 -16.041 4.188) 16.579 11.209 ( 0.000 -11.291 -1.119) 11.346 11.977 ( 0.000 2.084 3.204) 3.822 12.208 ( 0.000 -1.080 -2.902) 3.097 12.713 ( 0.000 -3.240 7.966) 8.600 12.911 ( 0.000 15.795 7.008) 17.280 13.293 ( 0.000 -7.089 -7.138) 10.060 13.536 ( 0.000 15.743 -9.285) 18.277 14.185 ( 0.000 -4.191 5.932) 7.263 14.825 ( -0.000 -4.577 -12.010) 12.852 15.233 ( 0.000 0.720 4.931) 4.983 15.503 ( 0.000 8.646 -2.389) 8.970 15.510 ( -0.000 0.367 11.731) 11.737 16.170 ( 0.000 2.277 0.317) 2.299 16.408 ( 0.000 0.165 2.177) 2.183 16.806 ( 0.000 -4.358 2.667) 5.109 16.904 ( 0.000 -2.009 -5.469) 5.826 17.017 ( 0.000 -2.536 -2.598) 3.631 24.311 ( -0.000 -0.004 1.916) 1.916 24.494 ( 0.000 -1.477 2.214) 2.662 24.550 ( -0.000 -0.128 -5.485) 5.486 24.594 ( 0.000 2.928 4.165) 5.091 24.725 ( 0.000 -0.028 1.263) 1.264 24.953 ( 0.000 -0.152 6.938) 6.939 25.201 ( 0.000 4.837 -6.373) 8.001 25.317 ( -0.000 1.213 -3.649) 3.846 26.754 ( 0.000 0.188 2.644) 2.651 27.031 ( 0.000 0.041 -6.167) 6.167 27.074 ( -0.000 -4.234 2.113) 4.732 27.239 ( 0.000 -2.138 -2.146) 3.030 27.436 ( 0.000 4.298 7.679) 8.800 27.789 ( 0.000 4.088 -2.965) 5.050 27.965 ( 0.000 0.424 10.733) 10.742 28.935 ( 0.000 -10.126 -13.601) 16.957 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 14.378 15.100) 20.851 1.290 ( 0.000 25.383 10.344) 27.410 1.647 ( 0.000 -0.133 1.910) 1.914 1.883 ( 0.000 22.034 -5.315) 22.666 1.884 ( 0.000 1.550 -4.822) 5.065 2.003 ( 0.000 11.564 -3.361) 12.042 2.251 ( 0.000 10.416 -15.210) 18.434 2.259 ( 0.000 8.583 -8.257) 11.910 2.439 ( 0.000 24.344 16.674) 29.507 2.766 ( 0.000 -9.218 0.349) 9.225 2.773 ( 0.000 2.100 1.995) 2.896 2.981 ( 0.000 -2.721 -4.412) 5.184 2.993 ( 0.000 10.128 -0.522) 10.141 3.017 ( 0.000 -2.616 -3.044) 4.013 3.163 ( 0.000 -3.550 -10.642) 11.219 3.181 ( 0.000 -5.925 7.843) 9.830 3.283 ( 0.000 -8.242 5.609) 9.970 3.332 ( 0.000 -4.160 8.450) 9.418 3.435 ( 0.000 -8.962 0.180) 8.964 3.683 ( 0.000 -2.826 2.319) 3.655 3.784 ( 0.000 -4.193 8.343) 9.338 3.910 ( 0.000 -0.245 -1.676) 1.693 3.920 ( 0.000 5.714 -8.426) 10.181 3.993 ( 0.000 2.958 -0.463) 2.994 3.999 ( 0.000 -0.761 -3.505) 3.587 4.071 ( 0.000 -0.890 15.583) 15.608 4.165 ( 0.000 -1.851 4.014) 4.420 4.264 ( 0.000 3.169 1.498) 3.505 4.528 ( 0.000 -11.894 4.205) 12.616 4.689 ( 0.000 3.586 0.641) 3.643 4.719 ( 0.000 4.444 -8.535) 9.623 4.797 ( 0.000 -4.115 -1.922) 4.542 4.838 ( 0.000 3.036 -1.265) 3.289 5.041 ( 0.000 -2.961 3.829) 4.841 5.105 ( 0.000 -1.617 1.994) 2.567 5.157 ( 0.000 -3.147 -10.263) 10.734 6.844 ( 0.000 5.643 9.379) 10.946 6.897 ( 0.000 3.414 4.745) 5.845 7.113 ( 0.000 3.270 2.993) 4.433 7.231 ( 0.000 1.455 -2.010) 2.481 7.399 ( 0.000 -1.024 -3.573) 3.717 7.556 ( 0.000 -6.720 1.811) 6.959 7.579 ( 0.000 5.459 -7.653) 9.401 7.781 ( 0.000 -1.313 -3.686) 3.913 7.872 ( 0.000 -0.532 0.894) 1.041 7.873 ( 0.000 -0.667 6.140) 6.176 7.895 ( 0.000 3.946 0.090) 3.947 8.337 ( 0.000 -4.905 -11.433) 12.441 8.377 ( 0.000 0.280 1.838) 1.859 8.534 ( 0.000 -0.222 -2.358) 2.368 8.631 ( 0.000 -6.477 6.724) 9.336 8.957 ( 0.000 -16.100 -1.967) 16.220 9.061 ( 0.000 14.766 2.293) 14.943 9.167 ( 0.000 11.276 -1.451) 11.369 9.388 ( 0.000 -1.339 0.766) 1.543 9.620 ( 0.000 2.137 -8.733) 8.990 9.623 ( 0.000 -1.572 5.686) 5.899 10.243 ( 0.000 1.980 -9.779) 9.977 10.321 ( 0.000 -15.508 5.636) 16.500 10.592 ( 0.000 -1.875 -2.343) 3.001 10.756 ( 0.000 -2.951 3.636) 4.683 10.861 ( 0.000 -3.729 6.399) 7.406 10.923 ( 0.000 -8.223 -2.052) 8.475 11.169 ( 0.000 -7.583 -2.444) 7.967 12.204 ( 0.000 8.492 11.517) 14.310 12.785 ( 0.000 -5.622 3.837) 6.807 13.011 ( 0.000 1.937 -14.132) 14.264 13.105 ( 0.000 -0.181 -4.138) 4.142 13.745 ( 0.000 14.173 9.232) 16.914 14.290 ( 0.000 18.285 -8.046) 19.977 14.548 ( 0.000 -10.208 5.750) 11.716 14.987 ( 0.000 -2.190 -1.154) 2.475 15.214 ( 0.000 -3.048 -3.740) 4.824 15.221 ( 0.000 -7.108 12.381) 14.276 15.419 ( 0.000 2.406 -5.069) 5.611 15.788 ( 0.000 -7.025 -6.045) 9.268 16.135 ( 0.000 2.108 4.371) 4.853 16.306 ( 0.000 -2.227 9.742) 9.993 16.412 ( 0.000 8.770 -3.217) 9.341 16.855 ( 0.000 -4.037 -5.370) 6.718 24.318 ( 0.000 1.213 2.472) 2.754 24.469 ( 0.000 -2.477 1.079) 2.702 24.534 ( 0.000 -1.020 -3.580) 3.723 24.554 ( 0.000 -0.199 -2.240) 2.249 24.840 ( 0.000 3.646 14.846) 15.287 24.971 ( 0.000 -0.065 8.422) 8.422 25.593 ( 0.000 5.666 -7.913) 9.732 25.877 ( 0.000 1.539 -18.850) 18.913 27.029 ( 0.000 -2.963 4.561) 5.439 27.038 ( 0.000 -4.034 2.254) 4.621 27.196 ( 0.000 -1.817 -2.023) 2.719 27.293 ( 0.000 -2.920 -3.352) 4.445 27.549 ( 0.000 0.166 16.127) 16.128 27.561 ( 0.000 4.407 3.843) 5.847 27.827 ( 0.000 10.133 -2.979) 10.562 28.372 ( 0.000 -8.404 -9.023) 12.331 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 5.499 13.634 9.800) 17.668 1.475 ( 11.950 19.931 8.138) 24.622 1.685 ( 3.558 0.417 2.715) 4.495 1.811 ( -8.989 9.632 -7.820) 15.321 1.900 ( 1.585 1.672 -4.343) 4.916 2.011 ( 3.825 20.161 -0.584) 20.529 2.236 ( 1.238 12.440 -4.662) 13.343 2.314 ( 0.398 12.259 -3.393) 12.726 2.460 ( 1.068 13.416 7.355) 15.337 2.749 ( -1.371 -8.003 -0.062) 8.120 2.867 ( 4.678 -1.798 -3.243) 5.970 2.912 ( 2.316 7.936 -0.277) 8.272 3.011 ( 0.631 -3.752 -2.655) 4.640 3.122 ( 7.466 -4.291 -2.771) 9.046 3.232 ( 3.553 1.354 2.354) 4.471 3.266 ( 8.255 -4.348 3.348) 9.913 3.356 ( 8.763 -2.698 -0.004) 9.169 3.425 ( 5.572 -4.238 9.115) 11.493 3.467 ( 4.058 -6.704 -0.136) 7.838 3.689 ( 1.944 -1.626 2.120) 3.304 3.794 ( -2.760 -3.152 2.663) 4.964 3.898 ( 3.501 -0.327 3.929) 5.273 3.936 ( 0.311 4.611 -8.236) 9.444 4.036 ( 6.088 -1.779 -2.320) 6.753 4.055 ( 2.393 0.515 4.479) 5.104 4.127 ( 7.089 1.623 7.888) 10.729 4.289 ( 10.170 1.596 1.337) 10.381 4.331 ( 6.360 0.575 2.219) 6.760 4.588 ( 5.349 -10.647 3.741) 12.489 4.656 ( -2.735 4.309 -3.611) 6.252 4.734 ( 0.031 3.529 -0.861) 3.633 4.774 ( 2.854 2.170 -1.608) 3.930 4.883 ( 0.198 -2.134 -1.563) 2.653 5.048 ( 2.704 -3.408 -1.637) 4.648 5.151 ( 4.315 -3.756 -1.590) 5.938 5.181 ( 2.903 -2.159 -4.612) 5.862 6.755 ( -6.090 5.878 7.690) 11.436 6.886 ( -1.477 2.530 4.537) 5.401 7.167 ( 2.949 3.414 1.587) 4.782 7.225 ( -0.306 1.741 -0.788) 1.936 7.313 ( -8.774 3.301 -6.158) 11.216 7.509 ( 0.324 -4.337 2.451) 4.992 7.646 ( 2.082 1.533 -4.630) 5.303 7.768 ( -1.548 -1.330 -3.405) 3.970 7.840 ( -1.723 0.734 3.092) 3.616 7.850 ( -1.923 -0.648 0.658) 2.133 7.880 ( -1.802 2.674 0.831) 3.329 8.062 ( -12.712 4.278 -3.572) 13.880 8.383 ( 0.438 -0.888 3.668) 3.799 8.647 ( 5.070 -5.280 2.245) 7.657 8.780 ( 6.710 -9.355 -3.041) 11.907 8.955 ( -0.430 -14.646 -1.429) 14.722 9.049 ( -1.415 13.861 2.461) 14.148 9.239 ( 4.829 5.939 -3.708) 8.505 9.368 ( -1.168 1.093 1.992) 2.554 9.646 ( 2.065 2.177 -7.751) 8.312 9.672 ( 4.111 -2.020 5.473) 7.136 10.241 ( 0.710 -1.000 -7.249) 7.352 10.342 ( 1.337 -13.368 3.331) 13.841 10.612 ( 0.880 -1.528 -3.415) 3.844 10.722 ( -2.754 -4.275 3.401) 6.118 10.792 ( -6.203 -4.236 5.152) 9.108 10.904 ( -1.730 -10.020 -1.249) 10.245 11.104 ( -6.161 -6.732 -2.745) 9.529 12.185 ( -1.717 8.868 9.831) 13.350 12.744 ( -5.036 -2.144 0.313) 5.483 12.855 ( -10.829 2.781 -4.952) 12.228 13.120 ( 0.544 -2.477 -4.381) 5.062 13.615 ( -10.028 15.495 7.563) 19.946 14.190 ( -7.092 16.740 -9.824) 20.665 14.428 ( -9.805 -9.608 6.076) 15.012 14.987 ( -5.115 -7.403 -8.494) 12.374 15.188 ( 2.682 0.103 4.754) 5.459 15.256 ( 2.617 -2.629 10.549) 11.182 15.655 ( 18.175 0.273 -4.526) 18.732 15.900 ( 6.037 -3.953 -7.457) 10.377 16.217 ( 7.055 -0.056 4.182) 8.201 16.318 ( 1.500 -1.816 9.114) 9.414 16.468 ( 6.535 5.664 -2.640) 9.042 16.856 ( 0.086 -4.153 -5.350) 6.773 24.318 ( -0.029 1.166 2.480) 2.740 24.466 ( -0.232 -2.470 1.144) 2.732 24.532 ( -0.021 -0.534 -3.396) 3.438 24.568 ( 1.142 -0.452 -2.720) 2.984 24.827 ( -1.222 3.823 13.430) 14.017 24.967 ( -0.354 -0.188 8.289) 8.299 25.555 ( -4.233 5.513 -7.569) 10.276 25.720 ( -11.144 5.398 -12.820) 17.824 26.941 ( -5.022 -0.937 2.864) 5.857 27.038 ( -1.747 -4.184 2.883) 5.373 27.179 ( -1.479 -1.135 -4.329) 4.713 27.288 ( -1.346 -3.997 -2.821) 5.074 27.542 ( -0.002 2.682 11.641) 11.946 27.640 ( 6.317 3.160 5.748) 9.106 27.967 ( 8.114 1.876 -3.013) 8.856 28.382 ( 2.598 -7.986 -9.409) 12.612 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 7.085 9.953 1.629) 12.325 1.588 ( -8.938 7.977 -5.035) 12.995 1.669 ( 4.774 10.061 1.727) 11.270 1.792 ( 6.640 5.239 5.955) 10.344 1.938 ( 1.725 1.235 -3.850) 4.396 2.106 ( 4.417 18.477 3.050) 19.241 2.264 ( 1.218 11.081 0.316) 11.152 2.329 ( 2.097 13.871 -0.437) 14.035 2.422 ( -4.113 2.218 3.031) 5.570 2.703 ( -2.965 -4.400 2.953) 6.073 2.843 ( -1.474 -4.166 -7.830) 8.990 2.990 ( -0.222 -2.440 2.415) 3.441 3.112 ( 3.584 -7.658 -2.096) 8.711 3.242 ( 2.331 7.052 -3.456) 8.192 3.283 ( 2.566 -2.834 5.638) 6.812 3.436 ( 4.163 -0.958 1.140) 4.421 3.531 ( 6.745 -6.332 1.853) 9.435 3.559 ( 8.816 0.732 4.651) 9.994 3.660 ( 12.443 -1.359 -0.222) 12.519 3.720 ( -0.595 -3.643 5.546) 6.662 3.813 ( 9.514 5.463 2.824) 11.328 3.912 ( -0.210 -0.028 -8.936) 8.938 4.055 ( 1.809 1.569 2.842) 3.717 4.082 ( 7.585 1.803 -2.773) 8.274 4.159 ( 3.883 0.691 -0.612) 3.991 4.381 ( 14.893 -1.350 8.392) 17.148 4.490 ( 7.951 -0.403 2.806) 8.441 4.520 ( 10.831 3.871 -2.012) 11.676 4.616 ( -0.162 3.844 -2.438) 4.555 4.715 ( 5.765 -7.536 2.528) 9.820 4.732 ( -0.362 5.089 -0.657) 5.144 4.836 ( 3.798 4.804 5.125) 7.986 4.931 ( 5.612 -4.718 -3.174) 7.989 5.185 ( 9.951 -3.171 -3.699) 11.080 5.301 ( 11.019 -2.471 -3.312) 11.768 5.332 ( 13.916 -5.172 -3.732) 15.308 6.651 ( -3.573 5.750 5.483) 8.711 6.842 ( -2.627 1.305 4.269) 5.180 7.109 ( -8.547 5.402 -5.674) 11.594 7.173 ( -1.731 0.183 -3.917) 4.286 7.250 ( 1.045 5.354 3.937) 6.727 7.523 ( 0.127 -3.648 2.762) 4.578 7.654 ( -0.959 1.652 -4.331) 4.733 7.712 ( -3.535 0.114 -3.404) 4.909 7.797 ( -3.571 -1.340 1.366) 4.051 7.816 ( -3.373 1.289 0.551) 3.652 7.826 ( -0.376 -1.870 1.024) 2.165 7.918 ( -2.442 5.697 -1.583) 6.397 8.390 ( -0.183 -1.981 5.079) 5.455 8.713 ( 0.694 -10.150 2.050) 10.378 8.833 ( -1.172 -6.937 -2.982) 7.641 8.938 ( -1.132 -13.539 -1.890) 13.717 9.006 ( -2.505 14.747 2.835) 15.225 9.277 ( -1.054 4.176 -4.870) 6.502 9.360 ( 0.095 4.577 3.648) 5.854 9.690 ( 2.360 3.532 -4.853) 6.450 9.763 ( 4.145 -2.691 5.768) 7.595 10.282 ( 2.867 -4.915 -4.601) 7.317 10.355 ( -0.193 -9.405 0.576) 9.424 10.576 ( -4.183 -3.899 -1.792) 5.992 10.618 ( -8.750 -3.851 2.937) 10.001 10.698 ( -0.636 -4.328 1.244) 4.548 10.870 ( -1.403 -15.512 -1.701) 15.668 10.937 ( -9.168 -5.317 -2.672) 10.930 12.143 ( -2.126 9.125 6.524) 11.417 12.542 ( -10.905 10.116 -4.782) 15.625 12.720 ( -4.161 -5.771 5.580) 9.042 13.119 ( -0.617 -6.560 -4.908) 8.216 13.419 ( -8.031 16.402 6.562) 19.406 14.049 ( -6.478 15.557 -10.864) 20.050 14.227 ( -8.575 -8.693 5.894) 13.559 14.825 ( -7.359 -8.478 -11.163) 15.832 15.276 ( 0.901 0.825 10.165) 10.238 15.339 ( 6.971 0.981 9.571) 11.881 15.855 ( -1.188 6.677 -4.643) 8.220 16.052 ( 10.476 -1.274 -9.053) 13.904 16.312 ( 2.389 -0.904 8.973) 9.330 16.446 ( 9.851 -3.903 3.394) 11.126 16.671 ( 11.445 -0.830 -2.607) 11.767 16.855 ( -0.202 -4.141 -5.298) 6.727 24.317 ( -0.003 1.039 2.426) 2.639 24.460 ( -0.311 -2.484 1.440) 2.888 24.536 ( 0.409 -0.002 -3.932) 3.954 24.594 ( 1.289 -0.501 -2.725) 3.055 24.797 ( -1.502 3.975 10.522) 11.348 24.958 ( -0.529 -0.480 7.914) 7.947 25.415 ( -7.467 7.216 -6.220) 12.104 25.547 ( -6.295 3.357 -8.086) 10.784 26.847 ( -3.937 0.242 2.701) 4.781 27.000 ( -1.637 -4.244 1.938) 4.945 27.126 ( -3.361 -1.399 -4.527) 5.809 27.245 ( -2.526 -3.959 -2.837) 5.487 27.547 ( 0.479 5.500 9.005) 10.562 27.783 ( 6.860 1.384 5.865) 9.130 28.017 ( -2.038 2.177 -2.645) 3.986 28.507 ( 7.711 -11.397 -10.036) 17.032 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -4.850 8.539 -2.561) 10.149 1.551 ( 3.899 9.398 -5.510) 11.571 1.745 ( 2.329 3.889 1.921) 4.923 1.919 ( 4.233 -2.672 2.045) 5.408 1.966 ( 1.563 3.931 -0.735) 4.293 2.165 ( 0.794 12.139 0.967) 12.203 2.314 ( 1.880 6.289 -1.411) 6.714 2.352 ( 0.764 7.239 -1.597) 7.452 2.407 ( 5.111 12.924 9.744) 16.974 2.630 ( -3.263 0.603 6.141) 6.980 2.845 ( -2.951 -0.719 -0.465) 3.073 2.885 ( -5.184 -3.005 0.301) 6.000 3.117 ( -1.551 -1.055 8.392) 8.599 3.253 ( 0.451 -5.053 -5.962) 7.829 3.351 ( 2.763 -1.852 -7.005) 7.755 3.473 ( 0.447 3.144 1.615) 3.563 3.607 ( 1.611 -6.921 0.919) 7.165 3.647 ( -1.414 -5.070 4.067) 6.652 3.744 ( 5.501 -0.846 0.498) 5.588 3.846 ( 5.482 -1.474 4.585) 7.297 3.907 ( 0.084 0.030 -9.915) 9.915 4.012 ( -3.270 -0.264 0.074) 3.281 4.121 ( 8.080 6.257 -4.185) 11.043 4.153 ( 5.840 4.600 5.409) 9.193 4.302 ( 5.445 -0.783 -0.733) 5.550 4.477 ( -1.566 -1.102 4.153) 4.574 4.615 ( 2.272 1.057 2.505) 3.543 4.644 ( 0.372 3.813 0.115) 3.833 4.716 ( 4.982 0.423 -1.696) 5.280 4.781 ( 5.818 -0.106 -2.239) 6.235 4.858 ( 4.993 -2.071 3.857) 6.640 5.003 ( 14.475 6.771 6.739) 17.343 5.047 ( 5.136 -1.792 -0.520) 5.464 5.452 ( 16.000 0.653 -4.854) 16.732 5.599 ( 14.694 -5.027 -1.855) 15.641 5.671 ( 14.580 -2.296 -4.709) 15.493 6.612 ( -0.427 4.854 3.454) 5.973 6.785 ( -2.659 0.507 4.098) 4.911 6.975 ( -4.383 3.845 -4.812) 7.559 7.134 ( -1.679 -1.322 -4.805) 5.259 7.253 ( -0.562 7.001 3.800) 7.986 7.513 ( -0.780 -3.336 2.583) 4.291 7.625 ( -1.402 1.508 -4.135) 4.619 7.643 ( -2.684 0.023 -3.087) 4.091 7.732 ( -2.068 -0.341 0.884) 2.274 7.753 ( -2.332 -1.457 0.811) 2.867 7.809 ( -1.822 -1.718 1.441) 2.889 7.885 ( -1.593 2.145 -0.963) 2.840 8.364 ( -2.165 -1.885 4.715) 5.520 8.684 ( -2.576 -11.057 0.862) 11.386 8.740 ( -6.837 -8.993 -2.046) 11.481 8.913 ( -1.087 -11.968 -2.811) 12.342 8.965 ( -1.214 16.455 3.454) 16.858 9.234 ( -2.072 8.918 -4.234) 10.087 9.366 ( 0.418 6.736 5.287) 8.574 9.744 ( 2.571 3.564 -3.844) 5.838 9.825 ( 1.683 -3.220 6.153) 7.146 10.330 ( 0.284 -7.261 1.736) 7.471 10.360 ( 2.382 -3.328 -6.248) 7.469 10.432 ( -7.193 -1.440 3.031) 7.937 10.511 ( -2.853 -10.941 -3.644) 11.879 10.685 ( -0.796 -4.418 0.580) 4.526 10.754 ( -6.652 -2.841 -2.253) 7.576 10.862 ( -0.472 -19.924 -1.144) 19.963 12.106 ( -1.340 8.731 3.933) 9.669 12.370 ( -5.580 10.689 -3.007) 12.428 12.648 ( -2.736 -6.073 5.975) 8.948 13.104 ( -0.606 -9.761 -5.776) 11.358 13.299 ( -3.811 16.743 6.686) 18.427 13.931 ( -4.624 16.403 -10.176) 19.850 14.099 ( -3.902 -8.323 5.914) 10.931 14.720 ( -3.021 -8.385 -11.800) 14.787 15.272 ( -0.585 2.194 8.330) 8.634 15.458 ( 4.024 -0.648 12.206) 12.868 15.783 ( -3.843 11.806 -4.763) 13.298 16.198 ( 3.608 2.039 -4.603) 6.194 16.374 ( 3.233 -0.310 4.512) 5.559 16.622 ( 6.388 -6.163 3.278) 9.463 16.849 ( 0.012 -3.526 -4.950) 6.078 16.873 ( 6.918 -3.583 -3.143) 8.401 24.318 ( 0.025 0.894 2.237) 2.409 24.455 ( -0.214 -2.505 1.953) 3.183 24.546 ( 0.444 0.289 -4.679) 4.709 24.617 ( 0.883 -0.444 -2.330) 2.531 24.771 ( -0.962 3.889 8.135) 9.068 24.948 ( -0.408 -0.772 7.442) 7.493 25.312 ( -2.305 5.713 -5.407) 8.197 25.425 ( -5.549 1.875 -6.180) 8.515 26.785 ( -2.066 0.734 2.780) 3.540 26.976 ( -0.716 -4.957 2.166) 5.457 27.060 ( -2.621 -0.578 -4.560) 5.291 27.197 ( -1.824 -3.772 -2.778) 5.027 27.558 ( 0.492 7.380 7.051) 10.218 27.896 ( 3.519 1.788 3.756) 5.449 27.962 ( -2.051 4.020 0.546) 4.546 28.634 ( 4.179 -13.705 -9.977) 17.459 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 8.868 -1.634) 9.018 1.591 ( -0.000 10.407 -7.288) 12.706 1.768 ( 0.000 1.879 1.799) 2.601 1.946 ( 0.000 -8.147 -3.647) 8.926 2.000 ( 0.000 3.260 3.310) 4.646 2.165 ( -0.000 10.319 1.343) 10.406 2.325 ( 0.000 3.056 -2.531) 3.968 2.368 ( -0.000 9.479 -2.738) 9.866 2.552 ( -0.000 16.616 12.311) 20.680 2.598 ( -0.000 -0.758 8.243) 8.278 2.676 ( 0.000 5.434 5.224) 7.537 2.885 ( 0.000 -2.893 -1.441) 3.232 3.099 ( 0.000 0.456 8.846) 8.858 3.259 ( -0.000 -10.501 -9.222) 13.975 3.381 ( 0.000 -2.012 -8.700) 8.929 3.472 ( 0.000 5.790 2.313) 6.235 3.621 ( 0.000 -5.464 3.000) 6.234 3.625 ( -0.000 -7.225 1.808) 7.448 3.831 ( -0.000 0.554 -1.779) 1.863 3.890 ( 0.000 -2.077 -8.303) 8.559 3.915 ( 0.000 -0.619 9.513) 9.533 3.958 ( -0.000 -2.048 -4.721) 5.146 4.120 ( 0.000 7.184 -6.139) 9.449 4.309 ( 0.000 1.967 4.641) 5.041 4.357 ( -0.000 2.545 -0.109) 2.547 4.442 ( 0.000 -3.039 6.613) 7.278 4.625 ( -0.000 0.365 2.407) 2.434 4.641 ( 0.000 3.826 -0.592) 3.872 4.747 ( 0.000 0.016 -0.654) 0.655 4.863 ( 0.000 0.019 -3.296) 3.296 4.903 ( 0.000 -2.091 4.534) 4.993 5.089 ( 0.000 -2.589 -1.337) 2.914 5.217 ( 0.000 7.302 6.950) 10.081 5.696 ( -0.000 3.579 -5.192) 6.306 5.767 ( 0.000 -4.497 -1.638) 4.786 5.799 ( 0.000 -0.372 -4.077) 4.094 6.614 ( 0.000 4.645 2.161) 5.123 6.752 ( 0.000 -0.042 4.347) 4.348 6.928 ( 0.000 2.666 -4.416) 5.158 7.117 ( -0.000 -2.001 -5.397) 5.756 7.244 ( -0.000 7.537 3.855) 8.466 7.503 ( 0.000 -3.252 2.496) 4.100 7.611 ( 0.000 -2.535 -1.331) 2.864 7.614 ( -0.000 3.918 -5.891) 7.075 7.717 ( 0.000 -1.827 0.499) 1.894 7.740 ( 0.000 -2.502 1.011) 2.699 7.768 ( -0.000 -1.281 2.378) 2.701 7.858 ( 0.000 -0.873 -0.571) 1.043 8.333 ( 0.000 -1.068 3.859) 4.004 8.633 ( 0.000 -7.264 -3.901) 8.245 8.664 ( 0.000 -11.447 3.039) 11.844 8.901 ( 0.000 -11.673 -2.945) 12.039 8.954 ( 0.000 16.803 3.538) 17.171 9.213 ( 0.000 11.532 -3.756) 12.129 9.371 ( 0.000 6.984 5.716) 9.025 9.775 ( 0.000 2.922 -4.003) 4.956 9.839 ( 0.000 -3.512 6.320) 7.230 10.332 ( 0.000 1.938 4.456) 4.859 10.346 ( -0.000 -7.009 -0.608) 7.035 10.405 ( -0.000 -3.650 -6.845) 7.757 10.473 ( 0.000 -13.206 -4.446) 13.935 10.678 ( 0.000 0.227 -4.485) 4.491 10.680 ( -0.000 -8.435 4.232) 9.438 10.857 ( 0.000 -20.389 -0.778) 20.404 12.092 ( 0.000 8.428 2.985) 8.941 12.313 ( 0.000 10.346 -2.575) 10.661 12.618 ( 0.000 -6.045 6.173) 8.640 13.098 ( 0.000 -11.567 -6.125) 13.088 13.260 ( 0.000 17.362 6.677) 18.601 13.880 ( 0.000 17.068 -9.639) 19.602 14.060 ( 0.000 -8.090 5.956) 10.047 14.691 ( -0.000 -8.543 -12.077) 14.793 15.265 ( 0.000 2.546 7.571) 7.987 15.500 ( -0.000 -1.818 13.476) 13.598 15.738 ( -0.000 13.778 -5.039) 14.671 16.231 ( 0.000 3.302 -1.885) 3.802 16.411 ( 0.000 -0.098 1.599) 1.602 16.689 ( 0.000 -6.786 3.411) 7.595 16.847 ( 0.000 -3.169 -5.083) 5.990 16.948 ( 0.000 -4.073 -3.045) 5.086 24.318 ( -0.000 0.829 2.106) 2.264 24.452 ( 0.000 -2.509 2.243) 3.365 24.551 ( -0.000 0.346 -5.007) 5.019 24.627 ( 0.000 -0.392 -2.101) 2.137 24.761 ( 0.000 3.817 7.253) 8.196 24.943 ( 0.000 -0.894 7.205) 7.260 25.305 ( 0.000 4.662 -6.495) 7.995 25.348 ( -0.000 1.650 -4.234) 4.545 26.763 ( 0.000 0.883 2.800) 2.935 26.969 ( 0.000 -5.552 2.707) 6.177 27.031 ( 0.000 0.197 -4.969) 4.973 27.178 ( 0.000 -3.659 -2.702) 4.548 27.564 ( 0.000 7.995 6.343) 10.206 27.916 ( 0.000 8.409 -3.419) 9.077 27.956 ( 0.000 -1.781 8.176) 8.367 28.676 ( 0.000 -14.310 -9.873) 17.385 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 8.880 4.578) 9.991 1.608 ( 0.000 -3.304 0.413) 3.330 1.781 ( 0.000 19.718 3.469) 20.021 1.940 ( 0.000 6.066 -3.820) 7.168 1.965 ( 0.000 -3.708 -9.268) 9.983 2.201 ( 0.000 -9.073 3.123) 9.595 2.455 ( 0.000 15.659 -4.991) 16.435 2.486 ( 0.000 10.942 -11.147) 15.620 2.648 ( 0.000 1.399 -3.907) 4.150 2.763 ( 0.000 -5.266 -1.510) 5.478 2.812 ( 0.000 7.690 3.014) 8.260 2.886 ( 0.000 -5.689 -6.298) 8.488 2.958 ( 0.000 -1.493 -5.336) 5.540 2.992 ( 0.000 0.833 3.026) 3.138 3.049 ( 0.000 -6.469 4.493) 7.876 3.118 ( 0.000 -7.994 4.997) 9.427 3.250 ( 0.000 -1.996 6.470) 6.771 3.269 ( 0.000 -5.484 5.083) 7.477 3.500 ( 0.000 22.023 0.042) 22.023 3.650 ( 0.000 -0.306 4.224) 4.235 3.720 ( 0.000 -1.138 5.802) 5.912 3.851 ( 0.000 -5.857 -2.025) 6.197 4.007 ( 0.000 2.962 -3.075) 4.269 4.022 ( 0.000 2.586 7.018) 7.479 4.023 ( 0.000 1.333 -2.883) 3.176 4.096 ( 0.000 1.267 8.584) 8.677 4.115 ( 0.000 -3.012 4.030) 5.031 4.231 ( 0.000 -15.483 10.717) 18.830 4.409 ( 0.000 10.113 -3.702) 10.769 4.617 ( 0.000 -9.497 -4.484) 10.502 4.774 ( 0.000 4.268 -0.796) 4.341 4.822 ( 0.000 0.768 -6.826) 6.869 4.904 ( 0.000 3.239 -1.709) 3.662 4.967 ( 0.000 -3.370 1.614) 3.737 5.092 ( 0.000 -0.025 2.531) 2.531 5.110 ( 0.000 -1.621 -4.593) 4.870 6.923 ( 0.000 2.222 8.045) 8.346 6.940 ( 0.000 0.611 5.300) 5.335 7.213 ( 0.000 6.380 3.197) 7.136 7.282 ( 0.000 3.641 -1.433) 3.913 7.336 ( 0.000 -4.696 1.860) 5.051 7.395 ( 0.000 -7.830 0.095) 7.831 7.673 ( 0.000 3.735 -7.989) 8.819 7.736 ( 0.000 -2.663 -6.336) 6.873 7.869 ( 0.000 0.489 2.243) 2.295 7.878 ( 0.000 -0.017 3.273) 3.273 8.017 ( 0.000 7.719 -3.116) 8.324 8.191 ( 0.000 -8.808 -7.635) 11.657 8.408 ( 0.000 2.959 2.126) 3.643 8.501 ( 0.000 -6.033 3.225) 6.841 8.563 ( 0.000 3.456 -1.878) 3.934 8.691 ( 0.000 -9.576 -1.901) 9.763 9.363 ( 0.000 11.289 -0.467) 11.299 9.402 ( 0.000 2.042 1.350) 2.448 9.411 ( 0.000 10.893 -2.727) 11.229 9.594 ( 0.000 -5.413 -6.128) 8.176 9.632 ( 0.000 6.463 8.137) 10.391 9.947 ( 0.000 -19.733 6.397) 20.744 10.304 ( 0.000 4.584 -9.568) 10.609 10.450 ( 0.000 -9.514 -6.897) 11.750 10.742 ( 0.000 1.137 5.217) 5.340 10.788 ( 0.000 -3.195 6.024) 6.819 10.887 ( 0.000 3.801 -0.361) 3.818 11.011 ( 0.000 -7.547 -1.174) 7.638 12.421 ( 0.000 11.516 7.462) 13.723 12.635 ( 0.000 -9.158 5.250) 10.556 13.053 ( 0.000 2.115 -9.739) 9.966 13.090 ( 0.000 -1.350 -6.351) 6.493 14.036 ( 0.000 14.215 8.173) 16.397 14.312 ( 0.000 -12.830 6.766) 14.505 14.634 ( 0.000 15.188 -9.868) 18.112 14.884 ( 0.000 -8.834 -9.135) 12.708 15.133 ( 0.000 -1.872 9.661) 9.840 15.140 ( 0.000 -2.561 5.640) 6.194 15.513 ( 0.000 6.075 -4.757) 7.716 15.647 ( 0.000 -6.919 -5.764) 9.005 16.188 ( 0.000 3.033 5.945) 6.675 16.252 ( 0.000 -3.054 7.875) 8.446 16.591 ( 0.000 8.535 -4.572) 9.682 16.746 ( 0.000 -6.619 -5.216) 8.427 24.356 ( 0.000 2.436 1.949) 3.120 24.412 ( 0.000 -2.963 1.475) 3.310 24.527 ( 0.000 0.308 -3.186) 3.201 24.541 ( 0.000 -0.873 -3.000) 3.124 24.914 ( 0.000 3.105 12.720) 13.094 24.959 ( 0.000 -1.323 10.239) 10.324 25.718 ( 0.000 6.351 -10.065) 11.901 25.835 ( 0.000 -4.684 -13.325) 14.124 26.983 ( 0.000 -1.315 3.120) 3.386 26.984 ( 0.000 -1.277 4.027) 4.224 27.189 ( 0.000 1.029 -2.553) 2.753 27.231 ( 0.000 -2.918 -3.236) 4.358 27.589 ( 0.000 2.407 9.733) 10.027 27.612 ( 0.000 0.559 5.984) 6.010 28.023 ( 0.000 9.064 -4.609) 10.169 28.198 ( 0.000 -8.492 -6.717) 10.827 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.430 8.617 2.711) 9.662 1.641 ( 2.979 -3.294 0.044) 4.441 1.831 ( 1.513 8.366 -1.647) 8.660 1.880 ( -5.959 0.617 -7.078) 9.273 2.011 ( 5.878 11.949 0.961) 13.351 2.292 ( 6.518 -7.827 2.687) 10.534 2.450 ( -0.384 15.149 -4.119) 15.704 2.480 ( -1.577 9.281 -6.227) 11.287 2.617 ( -3.104 0.801 -2.883) 4.311 2.726 ( -4.488 1.392 -0.706) 4.751 2.792 ( 0.629 -3.869 -1.490) 4.194 2.874 ( -3.469 -8.647 -5.882) 11.018 2.937 ( 2.126 3.889 1.047) 4.554 3.080 ( 9.717 0.065 -0.331) 9.723 3.160 ( 3.788 -8.286 7.540) 11.826 3.178 ( 9.542 -5.659 0.850) 11.127 3.349 ( 8.440 -1.406 3.862) 9.388 3.361 ( 7.312 -1.801 7.976) 10.969 3.593 ( 5.911 13.337 -1.231) 14.640 3.701 ( 7.432 1.725 1.196) 7.723 3.731 ( -0.509 1.211 3.208) 3.466 3.863 ( 2.288 -3.280 1.219) 4.181 4.003 ( 1.477 3.210 0.604) 3.585 4.049 ( 3.148 0.973 -2.733) 4.280 4.082 ( 2.882 2.899 5.025) 6.478 4.176 ( 8.776 3.233 6.768) 11.545 4.230 ( 9.037 -5.642 3.531) 11.223 4.316 ( 8.776 -13.153 8.598) 17.998 4.471 ( 5.986 9.068 -3.692) 11.476 4.664 ( 4.705 -8.836 -4.136) 10.831 4.754 ( -1.916 4.705 -3.848) 6.373 4.801 ( -0.929 1.092 -3.892) 4.147 4.948 ( 2.700 4.422 -1.903) 5.520 4.990 ( 3.276 -1.725 1.381) 3.952 5.082 ( 0.698 -2.012 1.136) 2.413 5.121 ( 1.026 -3.819 -1.879) 4.378 6.855 ( -4.936 3.842 6.625) 9.111 6.904 ( -3.050 -0.838 4.753) 5.710 7.244 ( -1.444 3.996 -2.250) 4.808 7.286 ( 2.916 4.018 2.964) 5.782 7.316 ( -4.684 -2.140 -2.449) 5.702 7.393 ( 2.845 -6.051 3.453) 7.526 7.678 ( -0.171 1.899 -6.080) 6.372 7.724 ( -1.329 -2.488 -5.335) 6.035 7.840 ( -2.476 0.579 1.921) 3.187 7.854 ( -2.041 -0.179 2.679) 3.373 7.985 ( -2.995 6.442 -3.441) 7.894 8.093 ( -6.607 -2.480 -5.571) 8.991 8.404 ( -0.237 3.102 2.908) 4.259 8.511 ( 0.664 -7.088 2.916) 7.694 8.628 ( 3.911 -2.515 -2.857) 5.457 8.699 ( 0.718 -8.609 -2.068) 8.883 9.369 ( 0.603 13.228 0.318) 13.245 9.432 ( 2.367 4.135 1.667) 5.048 9.455 ( 3.400 11.148 -2.943) 12.021 9.628 ( 2.778 -3.899 -3.516) 5.940 9.650 ( 1.895 2.513 5.823) 6.620 9.946 ( -0.177 -20.170 5.947) 21.029 10.291 ( -0.934 3.499 -8.534) 9.271 10.441 ( -1.078 -11.190 -6.732) 13.103 10.691 ( -4.589 0.698 4.973) 6.803 10.726 ( -5.590 -2.281 5.262) 8.009 10.857 ( -2.903 3.229 -0.382) 4.359 10.964 ( -4.426 -6.613 -1.652) 8.127 12.402 ( -1.784 11.351 6.755) 13.329 12.613 ( -2.088 -9.003 5.057) 10.535 12.956 ( -8.214 5.399 -7.842) 12.574 13.054 ( -3.506 -4.092 -6.058) 8.108 13.922 ( -9.146 14.469 7.139) 18.546 14.195 ( -9.306 -12.368 6.448) 16.767 14.521 ( -8.344 14.729 -10.428) 19.883 14.790 ( -8.362 -11.698 -10.986) 18.096 15.195 ( 6.076 0.596 9.422) 11.227 15.215 ( 5.996 -1.439 10.377) 12.071 15.710 ( 15.393 4.332 -5.786) 17.005 15.808 ( 11.448 -4.982 -6.829) 14.230 16.233 ( 4.072 1.577 5.654) 7.144 16.274 ( 2.413 -2.290 7.384) 8.099 16.606 ( 1.864 7.372 -4.210) 8.692 16.749 ( 0.252 -6.384 -5.076) 8.160 24.354 ( -0.124 2.390 2.005) 3.122 24.410 ( -0.199 -2.933 1.546) 3.322 24.532 ( 0.462 0.553 -3.300) 3.378 24.550 ( 0.808 -1.104 -3.259) 3.535 24.904 ( -0.924 3.287 11.994) 12.470 24.952 ( -0.612 -1.479 9.889) 10.017 25.665 ( -4.989 5.120 -9.267) 11.704 25.745 ( -7.659 -2.139 -11.329) 13.841 26.935 ( -3.371 0.518 3.318) 4.758 26.967 ( -2.116 -2.642 3.487) 4.860 27.168 ( -1.921 0.578 -3.494) 4.029 27.209 ( -1.994 -3.282 -3.059) 4.910 27.615 ( 2.372 3.720 8.583) 9.651 27.665 ( 4.463 -0.764 6.486) 7.910 28.071 ( 3.545 6.956 -4.764) 9.146 28.222 ( 2.443 -7.716 -6.739) 10.532 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 4.517 7.171 -1.469) 8.602 1.712 ( 3.416 -2.596 -1.353) 4.499 1.734 ( -6.876 6.089 -4.420) 10.193 1.827 ( -1.412 -2.840 -2.997) 4.364 2.112 ( 2.435 13.179 3.064) 13.748 2.336 ( -2.720 -6.329 2.577) 7.355 2.448 ( -0.666 8.245 -2.605) 8.672 2.482 ( 3.581 12.091 -2.266) 12.812 2.546 ( -2.577 3.561 -2.231) 4.930 2.694 ( 0.995 -0.621 -1.959) 2.283 2.777 ( -0.732 -0.922 0.560) 1.304 2.864 ( 1.103 -12.724 -5.232) 13.802 2.963 ( 0.711 5.675 3.111) 6.511 3.206 ( 1.542 -11.430 10.312) 15.471 3.284 ( 6.436 3.679 1.551) 7.574 3.382 ( 6.714 -4.456 0.482) 8.073 3.484 ( 5.494 0.696 2.996) 6.297 3.527 ( 5.450 -2.879 5.317) 8.140 3.682 ( 4.198 1.260 0.068) 4.383 3.689 ( -0.679 0.495 -0.515) 0.986 3.920 ( 3.405 3.441 -1.702) 5.132 3.964 ( 9.501 1.529 -3.022) 10.086 4.110 ( 7.014 0.965 -4.277) 8.272 4.115 ( 5.048 3.052 -2.164) 6.283 4.175 ( 6.884 5.851 7.995) 12.064 4.359 ( 6.671 -4.665 9.507) 12.516 4.454 ( 12.550 0.330 4.038) 13.187 4.549 ( 10.258 -7.483 3.143) 13.080 4.642 ( 9.856 7.492 -3.550) 12.880 4.728 ( 0.212 5.455 -3.917) 6.719 4.785 ( -0.067 -0.484 -2.968) 3.008 4.803 ( 7.883 -6.807 -2.993) 10.836 5.001 ( 4.414 9.973 3.418) 11.429 5.145 ( 12.479 0.251 -1.390) 12.559 5.186 ( 8.402 -7.676 -0.019) 11.381 5.226 ( 13.727 -5.836 -0.269) 14.918 6.762 ( -3.740 4.882 4.570) 7.662 6.835 ( -3.362 -2.077 3.750) 5.448 7.176 ( -6.988 1.384 -4.639) 8.501 7.181 ( -4.074 0.445 -4.314) 5.950 7.361 ( 2.390 4.839 3.639) 6.509 7.445 ( 1.386 -3.842 2.997) 5.066 7.650 ( -2.404 -0.053 -3.304) 4.087 7.677 ( -3.064 -2.599 -3.544) 5.358 7.779 ( -3.157 0.783 1.599) 3.625 7.812 ( -1.813 -1.119 1.815) 2.799 7.906 ( -3.980 6.321 -3.247) 8.145 7.995 ( -3.427 -0.394 -3.844) 5.165 8.396 ( -0.823 2.754 3.578) 4.589 8.509 ( -1.043 -8.490 2.846) 9.015 8.661 ( -0.982 -4.249 -2.480) 5.017 8.713 ( 0.116 -7.747 -3.190) 8.379 9.379 ( 0.231 18.550 1.345) 18.600 9.484 ( 2.375 6.898 2.923) 7.859 9.511 ( 1.686 13.579 -3.005) 14.009 9.679 ( 1.974 -3.551 6.433) 7.609 9.710 ( 3.385 -3.329 -3.150) 5.698 9.938 ( -0.564 -21.952 4.552) 22.426 10.278 ( -0.257 0.399 -6.924) 6.941 10.403 ( -2.536 -12.278 -6.647) 14.190 10.575 ( -6.697 -0.634 4.881) 8.311 10.589 ( -6.183 -1.795 4.417) 7.808 10.780 ( -4.157 2.009 -1.507) 4.857 10.844 ( -6.718 -4.024 -2.454) 8.207 12.354 ( -2.637 10.826 5.210) 12.300 12.556 ( -3.144 -8.670 4.670) 10.337 12.769 ( -8.919 10.094 -5.265) 14.462 12.963 ( -4.823 -8.761 -5.369) 11.351 13.738 ( -7.655 14.714 6.414) 17.783 14.010 ( -7.715 -11.965 6.141) 15.505 14.359 ( -6.869 14.113 -11.104) 19.226 14.621 ( -7.019 -11.590 -11.435) 17.730 15.304 ( 3.071 1.796 11.572) 12.107 15.337 ( 5.484 -1.128 11.566) 12.850 15.972 ( 6.391 4.360 -7.041) 10.461 16.028 ( 10.953 -1.491 -8.315) 13.832 16.319 ( 3.971 1.589 6.837) 8.065 16.371 ( 6.532 -3.314 4.920) 8.824 16.685 ( 5.763 2.347 -3.545) 7.162 16.761 ( 1.082 -4.721 -4.660) 6.722 24.351 ( -0.159 2.263 2.126) 3.109 24.405 ( -0.279 -2.860 1.772) 3.376 24.545 ( 0.778 0.920 -3.741) 3.931 24.571 ( 1.072 -1.442 -3.600) 4.023 24.880 ( -1.274 3.651 10.334) 11.034 24.936 ( -0.893 -1.844 9.019) 9.249 25.529 ( -7.418 4.135 -7.379) 11.251 25.579 ( -7.674 -0.534 -8.358) 11.359 26.865 ( -3.169 1.649 3.079) 4.716 26.917 ( -2.356 -3.528 3.131) 5.273 27.117 ( -2.766 0.730 -4.001) 4.918 27.162 ( -2.384 -3.580 -3.293) 5.417 27.671 ( 2.763 6.023 7.196) 9.782 27.767 ( 4.941 -3.011 6.481) 8.688 28.121 ( 1.038 7.433 -4.806) 8.912 28.295 ( 4.071 -9.564 -6.704) 12.369 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.498 8.807 -2.743) 9.865 1.697 ( 2.678 5.073 -5.572) 7.997 1.766 ( 1.614 -2.100 -3.093) 4.072 1.792 ( -1.816 -6.970 -2.780) 7.721 2.128 ( -0.055 9.000 3.954) 9.831 2.279 ( -1.893 -3.857 4.725) 6.386 2.446 ( 0.160 8.076 -3.475) 8.794 2.507 ( -0.254 2.899 -2.665) 3.946 2.566 ( 3.159 10.088 -0.922) 10.611 2.732 ( 1.781 -1.894 -0.848) 2.734 2.773 ( 0.113 -1.346 -1.396) 1.943 2.879 ( 0.182 -7.924 -0.587) 7.948 2.987 ( 1.884 6.348 2.664) 7.138 3.191 ( -3.067 -2.788 13.147) 13.785 3.339 ( 0.960 -1.686 4.200) 4.627 3.443 ( -0.112 -7.145 2.483) 7.565 3.555 ( 1.488 0.780 0.832) 1.875 3.581 ( 1.422 0.507 1.173) 1.912 3.743 ( 4.958 0.999 -1.402) 5.248 3.784 ( 5.316 -2.982 0.621) 6.127 3.937 ( -1.417 2.508 -5.725) 6.409 3.988 ( -3.284 -2.065 -2.467) 4.598 4.224 ( 2.923 3.399 -3.909) 5.948 4.262 ( 5.336 1.499 -0.379) 5.555 4.316 ( 5.866 4.837 4.128) 8.651 4.432 ( 0.359 -4.201 6.565) 7.802 4.628 ( 4.313 1.893 1.322) 4.892 4.690 ( 3.833 -3.006 -0.575) 4.905 4.729 ( 0.058 4.325 -0.841) 4.406 4.804 ( 2.743 -2.673 1.011) 3.962 4.833 ( 5.617 4.305 -2.558) 7.525 4.945 ( 4.897 -5.884 -2.094) 7.936 5.212 ( 14.508 11.406 6.165) 19.458 5.439 ( 13.960 -10.238 3.025) 17.574 5.506 ( 19.883 4.462 -2.211) 20.497 5.606 ( 18.468 -4.494 -2.139) 19.127 6.710 ( -1.286 4.328 2.538) 5.180 6.774 ( -2.506 -1.824 2.736) 4.135 7.046 ( -5.072 3.095 -5.131) 7.850 7.099 ( -3.472 -2.131 -5.300) 6.685 7.383 ( 0.083 4.707 3.015) 5.590 7.450 ( -0.425 -2.793 2.295) 3.640 7.597 ( -2.220 -0.709 -1.843) 2.972 7.620 ( -2.031 -2.699 -2.814) 4.397 7.722 ( -2.316 1.101 1.554) 2.998 7.770 ( -2.516 -1.709 1.368) 3.335 7.823 ( -4.092 5.432 -1.803) 7.036 7.912 ( -5.063 -1.560 -2.241) 5.752 8.368 ( -1.604 2.472 3.234) 4.375 8.476 ( -1.670 -8.339 2.763) 8.942 8.606 ( -3.546 -1.255 -2.569) 4.555 8.695 ( -1.359 -8.658 -2.947) 9.246 9.382 ( 0.100 22.699 1.909) 22.779 9.519 ( 0.896 8.275 4.446) 9.437 9.529 ( 0.379 16.491 -2.859) 16.742 9.707 ( 0.803 -6.879 6.883) 9.764 9.770 ( 2.214 -3.994 -2.909) 5.414 9.930 ( -0.089 -24.930 2.821) 25.089 10.277 ( 0.171 -2.851 -6.562) 7.157 10.342 ( -3.112 -8.705 -6.651) 11.388 10.442 ( -4.914 1.744 4.579) 6.939 10.510 ( -2.033 -7.175 4.249) 8.583 10.703 ( -3.034 0.417 -2.247) 3.799 10.722 ( -4.343 -1.163 -3.213) 5.526 12.304 ( -1.920 10.148 3.860) 11.026 12.497 ( -2.352 -8.433 4.440) 9.816 12.620 ( -5.196 12.745 -3.967) 14.324 12.876 ( -3.220 -12.191 -4.999) 13.564 13.624 ( -3.489 14.861 6.332) 16.527 13.895 ( -3.517 -11.755 6.075) 13.692 14.248 ( -3.850 14.561 -10.841) 18.557 14.515 ( -3.328 -11.735 -11.576) 16.817 15.335 ( 0.467 3.861 11.284) 11.936 15.414 ( 2.096 -3.449 13.077) 13.685 16.026 ( 0.429 11.178 -7.643) 13.548 16.192 ( 4.697 -4.172 -8.742) 10.765 16.395 ( 3.015 3.167 6.285) 7.657 16.495 ( 4.752 -6.035 4.609) 8.957 16.792 ( 1.674 -1.274 -4.185) 4.683 16.808 ( 5.083 -2.465 -3.452) 6.620 24.348 ( -0.098 2.119 2.214) 3.067 24.400 ( -0.190 -2.783 2.097) 3.490 24.560 ( 0.602 1.165 -4.214) 4.413 24.590 ( 0.780 -1.681 -3.744) 4.178 24.857 ( -0.896 3.921 8.783) 9.660 24.919 ( -0.665 -2.194 8.093) 8.411 25.404 ( -4.101 3.280 -5.874) 7.879 25.442 ( -5.356 -0.441 -6.400) 8.357 26.813 ( -1.721 2.239 2.906) 4.053 26.879 ( -1.298 -4.192 2.916) 5.269 27.068 ( -1.796 1.405 -4.030) 4.630 27.119 ( -1.568 -3.515 -3.370) 5.116 27.719 ( 1.700 7.778 6.091) 10.024 27.851 ( 2.964 -4.855 6.345) 8.521 28.126 ( -0.161 10.474 -4.549) 11.420 28.363 ( 2.254 -12.703 -6.561) 14.474 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 9.529 -2.059) 9.749 1.731 ( 0.000 4.097 -7.821) 8.829 1.764 ( 0.000 -8.344 -2.580) 8.734 1.781 ( 0.000 -1.630 -3.988) 4.308 2.127 ( 0.000 7.690 4.624) 8.973 2.261 ( -0.000 -3.196 6.026) 6.821 2.448 ( 0.000 7.833 -4.128) 8.854 2.506 ( -0.000 2.917 -2.625) 3.924 2.609 ( -0.000 7.103 0.289) 7.109 2.743 ( 0.000 0.097 -2.693) 2.694 2.780 ( 0.000 -4.859 -2.650) 5.534 2.879 ( 0.000 -2.005 3.477) 4.014 3.021 ( -0.000 5.414 -0.009) 5.414 3.136 ( 0.000 2.513 14.641) 14.855 3.357 ( 0.000 -4.478 5.044) 6.745 3.424 ( 0.000 -11.456 4.859) 12.444 3.576 ( 0.000 2.528 -2.349) 3.451 3.590 ( 0.000 2.637 2.864) 3.893 3.845 ( -0.000 0.577 -3.487) 3.534 3.849 ( 0.000 -0.688 -4.681) 4.731 3.902 ( -0.000 -0.625 3.239) 3.299 3.914 ( 0.000 -1.892 -5.376) 5.699 4.250 ( 0.000 4.761 -3.935) 6.176 4.311 ( 0.000 -1.451 -1.274) 1.931 4.399 ( -0.000 0.802 4.883) 4.949 4.406 ( 0.000 -0.645 5.321) 5.360 4.667 ( -0.000 3.139 -0.876) 3.259 4.710 ( 0.000 1.454 -0.951) 1.738 4.743 ( 0.000 1.487 0.354) 1.529 4.833 ( 0.000 -4.706 2.832) 5.493 4.898 ( 0.000 3.494 -2.797) 4.476 4.995 ( 0.000 -5.578 -1.941) 5.906 5.399 ( 0.000 10.201 6.918) 12.326 5.609 ( 0.000 -9.882 4.472) 10.847 5.769 ( -0.000 3.175 -2.965) 4.344 5.807 ( 0.000 -0.346 -2.278) 2.304 6.703 ( -0.000 3.356 1.241) 3.578 6.743 ( 0.000 -0.898 2.315) 2.483 6.989 ( 0.000 3.336 -5.157) 6.142 7.060 ( -0.000 -3.434 -5.866) 6.797 7.380 ( 0.000 4.734 2.909) 5.557 7.443 ( 0.000 -2.528 2.046) 3.252 7.573 ( 0.000 -0.599 -1.757) 1.857 7.599 ( -0.000 -2.844 -2.742) 3.951 7.695 ( 0.000 0.418 1.524) 1.580 7.735 ( 0.000 -2.215 1.850) 2.886 7.774 ( 0.000 4.108 -1.533) 4.385 7.833 ( 0.000 -1.798 -0.987) 2.051 8.348 ( 0.000 2.717 2.870) 3.952 8.457 ( 0.000 -8.210 2.799) 8.674 8.561 ( 0.000 1.378 -2.508) 2.862 8.679 ( 0.000 -9.347 -2.743) 9.741 9.383 ( 0.000 24.275 1.953) 24.353 9.525 ( 0.000 8.034 5.211) 9.576 9.533 ( 0.000 17.501 -2.941) 17.747 9.715 ( 0.000 -7.449 6.807) 10.091 9.793 ( 0.000 -4.350 -2.693) 5.116 9.931 ( 0.000 -26.366 2.075) 26.448 10.289 ( -0.000 -4.921 -6.418) 8.087 10.294 ( 0.000 -6.486 -6.739) 9.353 10.393 ( 0.000 2.939 4.177) 5.108 10.491 ( 0.000 -8.892 4.266) 9.862 10.668 ( 0.000 0.026 -1.993) 1.993 10.679 ( 0.000 -0.396 -3.845) 3.866 12.284 ( 0.000 9.821 3.340) 10.373 12.471 ( 0.000 -8.396 4.409) 9.483 12.566 ( 0.000 13.566 -3.647) 14.048 12.842 ( 0.000 -13.398 -4.904) 14.268 13.590 ( 0.000 14.932 6.320) 16.214 13.860 ( 0.000 -11.661 6.071) 13.147 14.207 ( 0.000 14.976 -10.531) 18.308 14.482 ( 0.000 -12.016 -11.551) 16.668 15.338 ( 0.000 4.521 11.036) 11.926 15.434 ( 0.000 -4.433 13.494) 14.203 16.026 ( 0.000 13.602 -7.685) 15.623 16.237 ( 0.000 -5.404 -8.869) 10.385 16.428 ( 0.000 3.582 6.025) 7.009 16.546 ( 0.000 -7.003 4.639) 8.401 16.812 ( 0.000 0.522 -4.054) 4.088 16.863 ( 0.000 -3.871 -3.484) 5.208 24.347 ( -0.000 2.056 2.238) 3.039 24.398 ( 0.000 -2.751 2.267) 3.565 24.567 ( 0.000 1.255 -4.395) 4.571 24.599 ( 0.000 -1.776 -3.770) 4.167 24.847 ( 0.000 4.007 8.166) 9.096 24.912 ( 0.000 -2.334 7.685) 8.032 25.370 ( 0.000 1.601 -5.984) 6.194 25.375 ( -0.000 0.807 -5.088) 5.152 26.796 ( 0.000 2.438 2.838) 3.742 26.865 ( 0.000 -4.427 2.850) 5.265 27.049 ( 0.000 1.708 -4.011) 4.360 27.102 ( 0.000 -3.452 -3.342) 4.805 27.737 ( 0.000 8.397 5.677) 10.136 27.882 ( 0.000 -5.577 6.286) 8.403 28.123 ( 0.000 11.826 -4.406) 12.620 28.386 ( 0.000 -13.899 -6.469) 15.331 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 0.000 24.521) 24.521 1.046 ( 0.000 0.000 27.514) 27.514 1.392 ( 0.000 0.000 -12.472) 12.472 1.520 ( 0.000 0.000 -22.932) 22.932 1.655 ( 0.000 0.000 5.731) 5.731 1.691 ( 0.000 0.000 -0.739) 0.739 1.756 ( 0.000 0.000 7.450) 7.450 1.889 ( 0.000 0.000 -7.168) 7.168 2.166 ( 0.000 0.000 33.038) 33.038 2.763 ( 0.000 0.000 -24.241) 24.241 2.806 ( 0.000 0.000 6.192) 6.192 2.923 ( 0.000 0.000 -6.301) 6.301 2.927 ( 0.000 0.000 2.024) 2.024 2.990 ( 0.000 0.000 -5.093) 5.093 3.192 ( 0.000 0.000 -1.491) 1.491 3.235 ( 0.000 0.000 -7.421) 7.421 3.455 ( 0.000 0.000 6.924) 6.924 3.558 ( 0.000 0.000 -3.016) 3.016 3.669 ( 0.000 0.000 8.285) 8.285 3.771 ( 0.000 0.000 -0.831) 0.831 3.774 ( 0.000 0.000 4.507) 4.507 3.822 ( 0.000 0.000 0.467) 0.467 3.861 ( 0.000 0.000 -4.259) 4.259 3.923 ( 0.000 0.000 -10.984) 10.984 4.231 ( 0.000 0.000 14.776) 14.776 4.303 ( 0.000 0.000 6.979) 6.979 4.380 ( 0.000 0.000 -0.183) 0.183 4.430 ( 0.000 0.000 -6.309) 6.309 4.564 ( 0.000 0.000 0.072) 0.072 4.576 ( 0.000 0.000 -1.356) 1.356 4.831 ( 0.000 0.000 4.679) 4.679 4.855 ( 0.000 0.000 3.203) 3.203 4.894 ( 0.000 0.000 -0.814) 0.814 5.001 ( 0.000 0.000 -14.224) 14.224 5.042 ( 0.000 0.000 3.826) 3.826 5.132 ( 0.000 0.000 -5.919) 5.919 6.757 ( 0.000 0.000 5.132) 5.132 6.857 ( 0.000 0.000 -5.340) 5.340 6.963 ( 0.000 0.000 9.459) 9.459 7.117 ( 0.000 0.000 -6.841) 6.841 7.150 ( 0.000 0.000 6.268) 6.268 7.285 ( 0.000 0.000 -8.055) 8.055 7.667 ( 0.000 0.000 3.596) 3.596 7.734 ( 0.000 0.000 -3.294) 3.294 7.847 ( 0.000 0.000 2.204) 2.204 7.885 ( 0.000 0.000 -1.715) 1.715 8.198 ( 0.000 0.000 8.015) 8.015 8.318 ( 0.000 0.000 -4.652) 4.652 8.443 ( 0.000 0.000 2.906) 2.906 8.501 ( 0.000 0.000 -3.401) 3.401 8.829 ( 0.000 0.000 4.053) 4.053 8.889 ( 0.000 0.000 -2.441) 2.441 9.109 ( 0.000 0.000 3.532) 3.532 9.204 ( 0.000 0.000 -6.309) 6.309 9.467 ( 0.000 0.000 1.062) 1.062 9.482 ( 0.000 0.000 -0.558) 0.558 9.789 ( 0.000 0.000 9.715) 9.715 9.997 ( 0.000 0.000 -12.121) 12.121 10.537 ( 0.000 0.000 0.293) 0.293 10.540 ( 0.000 0.000 -0.133) 0.133 11.033 ( 0.000 0.000 4.209) 4.209 11.100 ( 0.000 0.000 8.533) 8.533 11.113 ( 0.000 0.000 -4.089) 4.089 11.248 ( 0.000 0.000 -7.051) 7.051 12.609 ( 0.000 0.000 -0.103) 0.103 12.611 ( 0.000 0.000 -0.273) 0.273 12.956 ( 0.000 0.000 4.133) 4.133 13.034 ( 0.000 0.000 -4.051) 4.051 13.431 ( 0.000 0.000 9.356) 9.356 13.606 ( 0.000 0.000 -9.026) 9.026 14.909 ( 0.000 0.000 8.966) 8.966 15.081 ( 0.000 0.000 -8.724) 8.724 15.104 ( 0.000 0.000 6.524) 6.524 15.251 ( 0.000 0.000 -9.658) 9.658 15.911 ( 0.000 0.000 0.734) 0.734 15.937 ( 0.000 0.000 -1.957) 1.957 16.121 ( 0.000 0.000 1.567) 1.567 16.138 ( 0.000 0.000 -0.153) 0.153 16.580 ( 0.000 0.000 12.492) 12.492 16.788 ( 0.000 0.000 -9.777) 9.777 24.382 ( 0.000 0.000 5.175) 5.175 24.485 ( 0.000 0.000 -5.643) 5.643 24.531 ( 0.000 0.000 1.154) 1.154 24.565 ( 0.000 0.000 -2.502) 2.502 25.080 ( 0.000 0.000 4.012) 4.012 25.125 ( 0.000 0.000 9.931) 9.931 25.143 ( 0.000 0.000 -2.724) 2.724 25.310 ( 0.000 0.000 -9.624) 9.624 27.185 ( 0.000 0.000 5.536) 5.536 27.281 ( 0.000 0.000 0.447) 0.447 27.287 ( 0.000 0.000 -0.023) 0.023 27.296 ( 0.000 0.000 -6.220) 6.220 27.404 ( 0.000 0.000 2.315) 2.315 27.449 ( 0.000 0.000 -2.397) 2.397 28.196 ( 0.000 0.000 6.674) 6.674 28.315 ( 0.000 0.000 -5.947) 5.947 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 10.357 0.000 18.176) 20.920 1.185 ( 6.037 0.000 15.052) 16.218 1.474 ( 9.275 0.000 -4.644) 10.373 1.500 ( -2.711 0.000 -8.501) 8.922 1.728 ( 3.591 0.000 0.275) 3.602 1.754 ( 3.355 0.000 7.960) 8.638 1.804 ( 9.554 0.000 -7.396) 12.083 1.876 ( -0.741 0.000 -5.996) 6.041 2.303 ( 12.336 0.000 32.902) 35.139 2.771 ( -0.668 0.000 0.638) 0.923 2.829 ( 2.483 0.000 -17.274) 17.451 2.838 ( 0.088 0.000 -4.651) 4.652 3.063 ( 1.924 0.000 2.412) 3.085 3.141 ( 9.468 0.000 -2.828) 9.881 3.220 ( 5.888 0.000 -6.727) 8.940 3.232 ( 7.447 0.000 -4.285) 8.591 3.513 ( 3.871 0.000 1.364) 4.105 3.556 ( 0.193 0.000 0.114) 0.224 3.669 ( 0.001 0.000 8.980) 8.980 3.756 ( -0.190 0.000 -0.863) 0.883 3.758 ( -0.486 0.000 -0.279) 0.561 3.856 ( 4.900 0.000 -3.258) 5.884 3.976 ( 3.112 0.000 -2.270) 3.852 4.017 ( 5.247 0.000 -1.320) 5.410 4.304 ( 7.744 0.000 9.228) 12.047 4.341 ( 7.287 0.000 3.851) 8.242 4.399 ( -4.913 0.000 5.787) 7.591 4.454 ( 3.850 0.000 0.215) 3.856 4.560 ( -0.408 0.000 -0.022) 0.408 4.569 ( 0.665 0.000 -1.226) 1.395 4.669 ( -1.645 0.000 4.937) 5.203 4.827 ( -2.874 0.000 -7.727) 8.244 4.944 ( 0.313 0.000 0.201) 0.372 5.023 ( 5.168 0.000 -6.122) 8.012 5.080 ( 2.034 0.000 -0.004) 2.034 5.153 ( 2.140 0.000 -6.760) 7.091 6.695 ( -4.430 0.000 6.436) 7.813 6.813 ( -3.283 0.000 -6.118) 6.943 6.956 ( -0.764 0.000 9.380) 9.411 7.110 ( -0.695 0.000 -6.941) 6.976 7.184 ( 2.399 0.000 6.011) 6.472 7.314 ( 2.152 0.000 -7.735) 8.029 7.664 ( -0.358 0.000 2.931) 2.953 7.717 ( -1.503 0.000 -2.420) 2.849 7.866 ( 1.562 0.000 1.389) 2.091 7.893 ( 0.647 0.000 -1.323) 1.473 8.006 ( -13.439 0.000 2.893) 13.747 8.015 ( -9.913 0.000 1.393) 10.011 8.673 ( 12.975 0.000 8.715) 15.630 8.721 ( -2.246 0.000 7.126) 7.472 8.789 ( 8.147 0.000 -1.218) 8.238 8.832 ( -4.431 0.000 -3.659) 5.747 9.277 ( 4.912 0.000 -3.974) 6.318 9.294 ( 5.448 0.000 -6.280) 8.314 9.470 ( -0.882 0.000 0.805) 1.195 9.513 ( 6.820 0.000 -5.932) 9.039 9.815 ( 2.379 0.000 9.242) 9.543 10.013 ( 1.685 0.000 -11.508) 11.631 10.509 ( -2.416 0.000 0.628) 2.497 10.518 ( -1.752 0.000 -0.464) 1.812 11.015 ( -7.963 0.000 7.667) 11.054 11.061 ( 1.652 0.000 3.802) 4.145 11.152 ( 3.325 0.000 -3.965) 5.174 11.164 ( -7.017 0.000 -6.254) 9.399 12.404 ( -13.870 0.000 5.486) 14.915 12.476 ( -10.007 0.000 -2.834) 10.400 13.032 ( 2.732 0.000 5.663) 6.288 13.121 ( 5.748 0.000 -3.931) 6.964 13.297 ( -10.935 0.000 8.101) 13.609 13.460 ( -9.730 0.000 -9.337) 13.485 14.788 ( -10.610 0.000 9.855) 14.481 14.996 ( -10.078 0.000 -12.273) 15.880 15.214 ( 10.174 0.000 7.534) 12.660 15.336 ( 8.187 0.000 -4.373) 9.282 15.848 ( -6.394 0.000 0.687) 6.431 15.885 ( -3.517 0.000 -4.173) 5.458 16.292 ( 14.503 0.000 2.410) 14.702 16.336 ( 15.959 0.000 -2.382) 16.135 16.594 ( 0.853 0.000 11.941) 11.972 16.796 ( 0.481 0.000 -9.536) 9.548 24.380 ( -0.255 0.000 4.913) 4.919 24.476 ( -0.775 0.000 -5.350) 5.406 24.533 ( 0.196 0.000 1.261) 1.276 24.564 ( 0.181 0.000 -1.989) 1.997 24.984 ( -6.175 0.000 8.101) 10.186 25.097 ( -3.511 0.000 -4.424) 5.647 25.135 ( -0.206 0.000 9.934) 9.936 25.318 ( 0.024 0.000 -9.403) 9.403 27.026 ( -7.991 0.000 3.086) 8.567 27.083 ( -8.165 0.000 -2.958) 8.684 27.281 ( -1.614 0.000 1.531) 2.225 27.309 ( -0.927 0.000 -1.519) 1.780 27.587 ( 12.241 0.000 6.081) 13.668 27.644 ( 5.247 0.000 1.641) 5.498 28.237 ( -6.287 0.000 -2.489) 6.762 28.274 ( 8.308 0.000 -8.968) 12.224 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -0.453 0.000 4.166) 4.191 1.280 ( -1.427 0.000 -1.260) 1.904 1.559 ( 12.205 0.000 10.657) 16.203 1.703 ( 9.949 0.000 7.889) 12.697 1.756 ( 4.742 0.000 -1.260) 4.906 1.867 ( 0.856 0.000 -4.395) 4.478 1.921 ( 7.946 0.000 1.906) 8.172 1.992 ( 7.348 0.000 -4.160) 8.444 2.521 ( 5.812 0.000 17.663) 18.595 2.716 ( -6.960 0.000 4.034) 8.045 2.821 ( 0.634 0.000 -13.933) 13.947 2.836 ( -2.449 0.000 -8.467) 8.815 3.176 ( 8.925 0.000 9.518) 13.048 3.276 ( 2.400 0.000 -0.488) 2.449 3.350 ( 0.649 0.000 6.053) 6.088 3.539 ( 14.321 0.000 -15.368) 21.006 3.566 ( 1.443 0.000 0.910) 1.706 3.582 ( 5.461 0.000 0.001) 5.461 3.758 ( 9.317 0.000 1.665) 9.465 3.779 ( 3.505 0.000 -0.823) 3.601 3.821 ( 8.720 0.000 6.449) 10.846 3.964 ( -0.402 0.000 4.404) 4.422 4.016 ( 10.558 0.000 -10.904) 15.178 4.023 ( -2.665 0.000 0.071) 2.666 4.190 ( -7.769 0.000 10.410) 12.989 4.377 ( -8.175 0.000 -8.664) 11.912 4.525 ( 4.373 0.000 3.082) 5.350 4.554 ( 0.507 0.000 -0.212) 0.550 4.634 ( 16.003 0.000 4.924) 16.743 4.680 ( 8.854 0.000 1.765) 9.028 4.777 ( 9.132 0.000 5.533) 10.677 4.886 ( 5.749 0.000 -3.462) 6.711 5.003 ( 3.727 0.000 4.803) 6.080 5.113 ( 4.979 0.000 -7.445) 8.957 5.189 ( 11.674 0.000 -3.130) 12.086 5.271 ( 10.743 0.000 -10.186) 14.805 6.629 ( -1.401 0.000 7.236) 7.370 6.761 ( -1.304 0.000 -6.706) 6.831 6.931 ( -1.597 0.000 9.395) 9.530 7.088 ( -1.419 0.000 -7.225) 7.363 7.217 ( 0.434 0.000 6.097) 6.112 7.347 ( 0.728 0.000 -7.689) 7.723 7.650 ( -1.065 0.000 1.609) 1.929 7.677 ( -2.221 0.000 -1.174) 2.512 7.809 ( -6.000 0.000 3.247) 6.822 7.839 ( -5.923 0.000 -0.437) 5.939 7.907 ( 1.457 0.000 0.624) 1.585 7.920 ( 0.484 0.000 -0.705) 0.855 8.632 ( -4.236 0.000 6.911) 8.106 8.735 ( -4.690 0.000 -4.044) 6.193 8.859 ( 4.659 0.000 10.267) 11.275 8.961 ( 6.860 0.000 0.702) 6.896 9.278 ( -3.045 0.000 -0.292) 3.059 9.330 ( -0.304 0.000 -4.298) 4.309 9.451 ( -1.133 0.000 1.624) 1.980 9.579 ( -4.416 0.000 -12.142) 12.920 9.873 ( 2.945 0.000 9.212) 9.672 10.067 ( 3.338 0.000 -11.048) 11.541 10.460 ( -1.692 0.000 1.790) 2.463 10.495 ( -0.180 0.000 -2.123) 2.131 10.798 ( -12.251 0.000 6.913) 14.067 10.923 ( -11.889 0.000 -6.225) 13.420 11.154 ( 3.469 0.000 3.944) 5.252 11.226 ( 3.343 0.000 -3.687) 4.977 12.175 ( -7.566 0.000 7.509) 10.660 12.290 ( -7.070 0.000 -5.215) 8.785 13.011 ( -3.598 0.000 8.970) 9.665 13.069 ( -9.550 0.000 6.838) 11.746 13.208 ( 2.003 0.000 -4.603) 5.020 13.310 ( -5.348 0.000 -11.427) 12.616 14.570 ( -9.277 0.000 10.250) 13.825 14.787 ( -8.752 0.000 -12.843) 15.542 15.410 ( -1.597 0.000 4.992) 5.241 15.416 ( 6.751 0.000 5.162) 8.498 15.706 ( -5.162 0.000 5.119) 7.270 15.887 ( 3.902 0.000 -12.837) 13.417 16.584 ( 0.819 0.000 10.730) 10.761 16.602 ( 13.959 0.000 3.151) 14.311 16.679 ( 13.205 0.000 -2.285) 13.402 16.799 ( -0.182 0.000 -9.392) 9.394 24.373 ( -0.389 0.000 4.288) 4.306 24.459 ( -0.753 0.000 -4.909) 4.966 24.542 ( 0.674 0.000 1.949) 2.062 24.578 ( 1.126 0.000 -1.490) 1.867 24.878 ( -3.959 0.000 9.370) 10.172 25.030 ( -2.635 0.000 -6.615) 7.120 25.121 ( -1.028 0.000 9.473) 9.528 25.297 ( -2.040 0.000 -9.148) 9.373 26.902 ( -4.338 0.000 3.432) 5.531 26.975 ( -3.243 0.000 -4.533) 5.574 27.235 ( -2.677 0.000 2.050) 3.372 27.275 ( -2.121 0.000 -2.161) 3.028 27.637 ( -3.357 0.000 9.054) 9.657 27.751 ( 1.761 0.000 -2.028) 2.686 28.153 ( 0.403 0.000 11.899) 11.905 28.478 ( 9.545 0.000 -21.665) 23.674 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.982 0.000 1.360) 1.678 1.220 ( -2.438 0.000 -0.748) 2.551 1.818 ( 4.708 0.000 8.240) 9.490 1.826 ( 9.384 0.000 6.344) 11.327 1.922 ( 4.634 0.000 -0.520) 4.663 1.953 ( 7.666 0.000 -3.969) 8.632 2.067 ( 8.489 0.000 3.461) 9.167 2.127 ( 7.193 0.000 -3.222) 7.882 2.506 ( -6.825 0.000 6.139) 9.180 2.560 ( -7.172 0.000 2.052) 7.459 2.798 ( -4.130 0.000 -2.592) 4.876 2.832 ( 2.745 0.000 -3.040) 4.096 3.163 ( -5.525 0.000 7.126) 9.017 3.294 ( 1.383 0.000 -5.535) 5.705 3.404 ( 1.983 0.000 11.671) 11.839 3.583 ( 0.024 0.000 -4.575) 4.575 3.589 ( 0.636 0.000 -1.774) 1.884 3.672 ( -2.595 0.000 -10.605) 10.918 3.870 ( 4.029 0.000 3.746) 5.502 3.912 ( 6.466 0.000 -1.470) 6.631 3.956 ( 1.059 0.000 1.296) 1.674 3.962 ( -1.957 0.000 2.768) 3.390 4.046 ( -2.694 0.000 5.944) 6.526 4.208 ( -7.305 0.000 -8.814) 11.448 4.217 ( 16.281 0.000 5.674) 17.241 4.348 ( 12.975 0.000 -7.344) 14.909 4.591 ( 4.101 0.000 0.938) 4.207 4.613 ( 7.712 0.000 -2.241) 8.031 4.802 ( 0.988 0.000 7.048) 7.117 4.895 ( 3.490 0.000 8.321) 9.023 4.896 ( 2.692 0.000 -3.581) 4.480 4.975 ( 7.013 0.000 1.813) 7.244 5.089 ( 7.198 0.000 8.700) 11.292 5.278 ( 10.613 0.000 -10.861) 15.185 5.499 ( 13.007 0.000 -5.506) 14.124 5.541 ( 11.321 0.000 -9.309) 14.657 6.635 ( 1.440 0.000 7.057) 7.203 6.762 ( 0.957 0.000 -6.268) 6.341 6.896 ( -1.534 0.000 9.379) 9.503 7.057 ( -1.434 0.000 -7.541) 7.676 7.207 ( -1.013 0.000 6.612) 6.689 7.345 ( -0.536 0.000 -8.096) 8.113 7.632 ( -0.235 0.000 0.395) 0.460 7.637 ( -1.309 0.000 0.023) 1.309 7.741 ( -0.523 0.000 2.055) 2.120 7.758 ( -1.668 0.000 -0.015) 1.668 7.916 ( -1.415 0.000 0.653) 1.559 7.920 ( -0.585 0.000 0.141) 0.602 8.555 ( -3.219 0.000 5.334) 6.230 8.644 ( -4.080 0.000 -3.960) 5.686 8.888 ( -0.607 0.000 10.996) 11.012 9.057 ( 2.518 0.000 -4.318) 4.998 9.234 ( -7.538 0.000 2.539) 7.954 9.241 ( -0.286 0.000 4.586) 4.595 9.371 ( -12.504 0.000 -5.079) 13.496 9.472 ( 2.982 0.000 -10.431) 10.849 9.927 ( 1.986 0.000 10.057) 10.251 10.131 ( 2.305 0.000 -11.346) 11.578 10.446 ( 0.007 0.000 3.212) 3.212 10.502 ( 0.499 0.000 -3.205) 3.243 10.562 ( -9.310 0.000 6.812) 11.536 10.697 ( -8.766 0.000 -7.077) 11.266 11.218 ( 2.421 0.000 3.817) 4.520 11.277 ( 1.555 0.000 -2.425) 2.881 12.085 ( -1.959 0.000 6.158) 6.462 12.195 ( -2.468 0.000 -5.680) 6.193 12.931 ( -3.782 0.000 9.573) 10.293 12.953 ( -1.199 0.000 9.417) 9.493 13.201 ( -5.359 0.000 -10.441) 11.736 13.208 ( -1.542 0.000 -8.996) 9.128 14.429 ( -4.326 0.000 10.768) 11.604 14.659 ( -3.782 0.000 -13.617) 14.133 15.345 ( -3.171 0.000 5.278) 6.157 15.422 ( -3.577 0.000 -2.831) 4.562 15.711 ( 3.459 0.000 14.610) 15.014 15.979 ( 3.742 0.000 -13.180) 13.701 16.576 ( -0.609 0.000 12.003) 12.018 16.783 ( 0.227 0.000 -9.214) 9.216 16.836 ( 6.876 0.000 3.020) 7.510 16.905 ( 7.696 0.000 -3.756) 8.564 24.366 ( -0.264 0.000 3.822) 3.831 24.449 ( -0.242 0.000 -5.108) 5.114 24.556 ( 0.594 0.000 2.901) 2.961 24.603 ( 1.034 0.000 -1.300) 1.661 24.819 ( -1.875 0.000 9.076) 9.267 24.995 ( -0.760 0.000 -8.801) 8.834 25.100 ( -0.890 0.000 8.125) 8.174 25.245 ( -2.501 0.000 -7.473) 7.881 26.838 ( -2.005 0.000 4.176) 4.632 26.928 ( -1.517 0.000 -5.614) 5.815 27.183 ( -2.017 0.000 2.571) 3.267 27.233 ( -1.685 0.000 -2.687) 3.171 27.571 ( -2.429 0.000 8.506) 8.846 27.708 ( -3.275 0.000 -6.151) 6.969 28.223 ( 4.000 0.000 19.968) 20.365 28.629 ( 4.951 0.000 -22.849) 23.379 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 0.000 0.927) 0.927 1.196 ( 0.000 0.000 0.106) 0.106 1.878 ( 0.000 0.000 8.402) 8.402 1.915 ( 0.000 0.000 5.193) 5.193 1.975 ( 0.000 0.000 -1.507) 1.507 2.009 ( -0.000 0.000 -4.649) 4.649 2.269 ( -0.000 0.000 -0.897) 0.897 2.283 ( -0.000 0.000 -1.999) 1.999 2.319 ( 0.000 0.000 7.805) 7.805 2.452 ( 0.000 0.000 -6.280) 6.280 2.721 ( 0.000 0.000 10.534) 10.534 2.876 ( 0.000 0.000 1.787) 1.787 3.096 ( 0.000 0.000 6.989) 6.989 3.326 ( 0.000 0.000 -9.815) 9.815 3.412 ( 0.000 0.000 8.075) 8.075 3.577 ( 0.000 0.000 -8.397) 8.397 3.594 ( 0.000 0.000 -2.285) 2.285 3.625 ( 0.000 0.000 -4.943) 4.943 3.928 ( 0.000 0.000 8.243) 8.243 3.946 ( 0.000 0.000 3.705) 3.705 3.964 ( 0.000 0.000 -0.237) 0.237 3.992 ( 0.000 0.000 0.285) 0.285 4.010 ( -0.000 0.000 -1.912) 1.912 4.106 ( 0.000 0.000 -9.313) 9.313 4.391 ( 0.000 0.000 3.843) 3.843 4.443 ( 0.000 0.000 -1.338) 1.338 4.705 ( 0.000 0.000 7.173) 7.173 4.746 ( -0.000 0.000 1.257) 1.257 4.796 ( 0.000 0.000 -4.168) 4.168 4.841 ( -0.000 0.000 -7.214) 7.214 4.937 ( 0.000 0.000 11.749) 11.749 5.039 ( 0.000 0.000 1.368) 1.368 5.245 ( 0.000 0.000 9.987) 9.987 5.440 ( 0.000 0.000 -10.640) 10.640 5.620 ( 0.000 0.000 -7.431) 7.431 5.638 ( 0.000 0.000 -8.810) 8.810 6.655 ( 0.000 0.000 6.812) 6.812 6.776 ( 0.000 0.000 -5.872) 5.872 6.878 ( 0.000 0.000 9.340) 9.340 7.040 ( 0.000 0.000 -7.683) 7.683 7.193 ( 0.000 0.000 6.983) 6.983 7.338 ( 0.000 0.000 -8.348) 8.348 7.625 ( 0.000 0.000 0.954) 0.954 7.636 ( 0.000 0.000 -0.586) 0.586 7.759 ( -0.000 0.000 0.592) 0.592 7.761 ( 0.000 0.000 0.193) 0.193 7.882 ( 0.000 0.000 2.317) 2.317 7.896 ( 0.000 0.000 0.697) 0.697 8.515 ( 0.000 0.000 4.277) 4.277 8.592 ( 0.000 0.000 -3.640) 3.640 8.876 ( 0.000 0.000 10.572) 10.572 9.098 ( 0.000 0.000 -12.643) 12.643 9.139 ( 0.000 0.000 1.954) 1.954 9.172 ( -0.000 0.000 -1.103) 1.103 9.270 ( 0.000 0.000 12.251) 12.251 9.513 ( 0.000 0.000 -12.883) 12.883 9.947 ( 0.000 0.000 10.176) 10.176 10.152 ( 0.000 0.000 -11.358) 11.358 10.453 ( 0.000 0.000 8.222) 8.222 10.456 ( -0.000 0.000 2.334) 2.334 10.508 ( 0.000 0.000 -3.204) 3.204 10.602 ( 0.000 0.000 -7.426) 7.426 11.244 ( 0.000 0.000 3.389) 3.389 11.292 ( 0.000 0.000 -1.661) 1.661 12.068 ( 0.000 0.000 5.496) 5.496 12.173 ( 0.000 0.000 -5.614) 5.614 12.898 ( 0.000 0.000 11.653) 11.653 12.951 ( -0.000 0.000 12.632) 12.632 13.130 ( 0.000 0.000 -12.925) 12.925 13.183 ( 0.000 0.000 -11.866) 11.866 14.387 ( 0.000 0.000 11.041) 11.041 14.622 ( 0.000 0.000 -14.005) 14.005 15.310 ( 0.000 0.000 4.344) 4.344 15.376 ( 0.000 0.000 -2.754) 2.754 15.754 ( 0.000 0.000 15.176) 15.176 16.019 ( 0.000 0.000 -12.369) 12.369 16.569 ( 0.000 0.000 11.916) 11.916 16.779 ( 0.000 0.000 -10.068) 10.068 16.912 ( 0.000 0.000 3.820) 3.820 16.984 ( 0.000 0.000 -3.818) 3.818 24.363 ( 0.000 0.000 3.689) 3.689 24.447 ( 0.000 0.000 -5.325) 5.325 24.563 ( 0.000 0.000 3.309) 3.309 24.614 ( 0.000 0.000 -1.333) 1.333 24.800 ( 0.000 0.000 9.095) 9.095 24.990 ( 0.000 0.000 -10.160) 10.160 25.090 ( 0.000 0.000 7.409) 7.409 25.215 ( 0.000 0.000 -6.025) 6.025 26.817 ( 0.000 0.000 4.419) 4.419 26.912 ( 0.000 0.000 -5.836) 5.836 27.161 ( 0.000 0.000 2.724) 2.724 27.215 ( 0.000 0.000 -2.878) 2.878 27.546 ( 0.000 0.000 7.810) 7.810 27.670 ( 0.000 0.000 -5.582) 5.582 28.267 ( 0.000 0.000 20.686) 20.686 28.679 ( 0.000 0.000 -22.680) 22.680 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 13.779 23.517) 27.256 1.313 ( 0.000 21.523 20.230) 29.538 1.544 ( 0.000 13.808 1.337) 13.873 1.615 ( 0.000 8.681 -20.159) 21.949 1.699 ( 0.000 6.017 0.090) 6.018 1.742 ( 0.000 -1.292 6.460) 6.588 1.809 ( 0.000 7.493 -12.360) 14.454 1.871 ( 0.000 -1.291 -8.285) 8.385 2.360 ( 0.000 17.609 26.728) 32.007 2.747 ( 0.000 1.714 -11.461) 11.589 2.815 ( 0.000 0.753 5.439) 5.490 2.920 ( 0.000 -0.411 -5.713) 5.728 2.983 ( 0.000 -0.430 1.035) 1.121 3.005 ( 0.000 2.102 -1.059) 2.354 3.148 ( 0.000 -5.261 -3.286) 6.203 3.234 ( 0.000 3.922 -13.083) 13.658 3.417 ( 0.000 -3.834 6.783) 7.791 3.525 ( 0.000 -5.182 -4.999) 7.200 3.592 ( 0.000 -4.575 10.283) 11.255 3.729 ( 0.000 -3.533 -3.178) 4.752 3.763 ( 0.000 -0.947 4.228) 4.333 3.857 ( 0.000 -0.923 -4.977) 5.062 3.861 ( 0.000 2.575 0.347) 2.598 3.921 ( 0.000 -0.073 -7.008) 7.009 4.176 ( 0.000 -4.985 12.585) 13.537 4.304 ( 0.000 -0.002 7.879) 7.879 4.306 ( 0.000 -5.235 -1.538) 5.456 4.457 ( 0.000 2.344 -8.173) 8.503 4.465 ( 0.000 -5.448 11.716) 12.921 4.620 ( 0.000 2.038 -3.555) 4.098 4.790 ( 0.000 -5.610 3.841) 6.799 4.799 ( 0.000 -0.524 3.011) 3.056 4.848 ( 0.000 -4.021 -2.103) 4.537 4.958 ( 0.000 -2.796 -14.326) 14.596 5.084 ( 0.000 2.645 2.610) 3.716 5.133 ( 0.000 -0.096 -2.850) 2.851 6.878 ( 0.000 10.233 10.001) 14.308 6.970 ( 0.000 0.940 8.265) 8.318 7.075 ( 0.000 14.675 -11.342) 18.547 7.101 ( 0.000 -0.457 -4.557) 4.580 7.191 ( 0.000 2.931 4.924) 5.730 7.327 ( 0.000 3.699 -8.420) 9.196 7.665 ( 0.000 -0.645 3.388) 3.449 7.731 ( 0.000 -0.524 -3.433) 3.473 7.858 ( 0.000 1.030 1.662) 1.955 7.886 ( 0.000 0.022 -1.156) 1.156 8.118 ( 0.000 -6.744 7.777) 10.294 8.253 ( 0.000 -5.805 -6.947) 9.053 8.431 ( 0.000 -0.864 2.939) 3.063 8.490 ( 0.000 -0.867 -3.460) 3.567 8.899 ( 0.000 6.962 3.694) 7.882 8.954 ( 0.000 6.340 -2.303) 6.746 8.982 ( 0.000 -9.277 10.278) 13.845 9.167 ( 0.000 -8.960 -9.171) 12.822 9.438 ( 0.000 -1.553 -0.629) 1.676 9.440 ( 0.000 -0.663 -0.929) 1.141 9.788 ( 0.000 -0.182 10.107) 10.109 10.003 ( 0.000 0.548 -12.493) 12.505 10.549 ( 0.000 -0.666 0.846) 1.077 10.560 ( 0.000 1.370 -0.516) 1.464 10.945 ( 0.000 -7.547 4.811) 8.950 11.035 ( 0.000 -7.354 -4.665) 8.708 11.069 ( 0.000 -2.959 8.101) 8.624 11.207 ( 0.000 -3.907 -6.467) 7.555 12.450 ( 0.000 -5.116 13.120) 14.082 12.681 ( 0.000 1.344 -12.922) 12.992 12.939 ( 0.000 -1.732 4.722) 5.029 13.029 ( 0.000 -0.602 -4.693) 4.732 13.617 ( 0.000 14.710 8.725) 17.103 13.782 ( 0.000 15.040 -8.683) 17.367 14.850 ( 0.000 -5.571 9.065) 10.640 15.012 ( 0.000 -4.800 -6.022) 7.701 15.158 ( 0.000 3.008 1.993) 3.608 15.263 ( 0.000 1.370 -7.730) 7.851 15.699 ( 0.000 -14.392 8.622) 16.777 15.827 ( 0.000 -9.035 -5.959) 10.823 16.162 ( 0.000 2.883 3.126) 4.253 16.213 ( 0.000 5.272 -2.243) 5.729 16.564 ( 0.000 -1.602 12.327) 12.431 16.771 ( 0.000 -1.760 -9.762) 9.919 24.378 ( 0.000 -0.258 4.822) 4.829 24.473 ( 0.000 -0.904 -5.247) 5.324 24.524 ( 0.000 -0.822 1.281) 1.522 24.549 ( 0.000 -1.248 -1.315) 1.812 25.074 ( 0.000 2.884 13.913) 14.209 25.138 ( 0.000 1.197 10.576) 10.643 25.336 ( 0.000 2.430 -10.353) 10.635 25.337 ( 0.000 11.592 -15.717) 19.529 27.168 ( 0.000 -1.720 5.297) 5.570 27.179 ( 0.000 -5.467 2.266) 5.918 27.222 ( 0.000 -4.706 -2.303) 5.239 27.271 ( 0.000 -2.283 -5.596) 6.044 27.507 ( 0.000 7.390 3.723) 8.275 27.574 ( 0.000 8.634 -3.278) 9.235 28.029 ( 0.000 -10.717 15.837) 19.123 28.283 ( 0.000 -4.898 -12.501) 13.426 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.139 10.745 13.750) 17.730 1.400 ( 5.141 16.331 13.744) 21.954 1.499 ( -1.343 7.364 -1.415) 7.618 1.706 ( 7.032 11.393 -2.703) 13.658 1.767 ( 2.702 2.404 6.074) 7.069 1.799 ( 5.593 5.755 -6.819) 10.531 1.849 ( 5.702 1.307 -3.911) 7.037 1.937 ( 5.760 8.541 -10.492) 14.704 2.425 ( 5.286 11.212 22.613) 25.788 2.710 ( -1.069 -1.727 -9.091) 9.315 2.822 ( 2.377 4.602 5.653) 7.667 2.958 ( 0.117 1.924 -5.012) 5.370 3.021 ( 1.574 -3.702 3.841) 5.562 3.165 ( 10.998 1.542 1.374) 11.190 3.176 ( 7.067 -3.806 -7.518) 10.998 3.294 ( 9.008 6.849 -11.359) 16.034 3.459 ( 3.213 -4.176 2.928) 6.028 3.532 ( 1.753 -4.021 -4.001) 5.937 3.611 ( 1.031 -3.368 11.257) 11.795 3.732 ( 0.981 -2.997 -0.522) 3.196 3.761 ( -1.820 0.196 -0.895) 2.037 3.835 ( 1.856 -1.780 -4.722) 5.377 3.969 ( 3.621 -0.109 1.774) 4.034 4.037 ( 7.602 0.076 -2.974) 8.164 4.210 ( 4.844 -7.104 7.574) 11.459 4.284 ( 2.359 -2.496 0.807) 3.528 4.378 ( 0.666 -2.391 9.512) 9.830 4.439 ( 3.869 -0.124 5.444) 6.680 4.533 ( 3.747 -0.172 -1.782) 4.153 4.629 ( -0.388 2.939 -4.282) 5.208 4.709 ( 0.415 2.320 2.534) 3.461 4.798 ( 0.613 -2.815 -3.352) 4.420 4.896 ( 0.346 -4.038 -1.648) 4.375 4.966 ( 4.769 -2.779 -6.423) 8.469 5.124 ( 2.451 1.946 -0.556) 3.178 5.155 ( 2.337 0.162 -3.524) 4.231 6.787 ( -6.488 7.741 9.296) 13.727 6.959 ( -3.753 4.087 0.550) 5.576 6.972 ( -4.732 8.100 -2.178) 9.630 7.103 ( -0.382 -0.160 -6.120) 6.134 7.227 ( 2.423 3.635 6.415) 7.761 7.368 ( 2.476 4.719 -8.286) 9.852 7.666 ( -0.049 -0.311 2.939) 2.956 7.721 ( -1.013 0.009 -2.835) 3.011 7.860 ( 0.267 -0.390 1.209) 1.298 7.882 ( -0.304 -0.867 -0.979) 1.342 7.970 ( -9.586 -2.860 3.699) 10.666 8.004 ( -10.771 -1.125 -0.195) 10.831 8.564 ( 6.345 -6.067 8.008) 11.883 8.703 ( 8.546 -5.390 -5.771) 11.636 8.848 ( -1.402 7.725 6.172) 9.987 8.914 ( -1.205 5.700 -0.822) 5.884 9.141 ( 6.743 -9.331 2.963) 11.888 9.291 ( 8.790 -13.399 -10.949) 19.408 9.409 ( -2.349 -2.526 0.438) 3.477 9.430 ( -0.281 3.018 -2.803) 4.128 9.828 ( 3.681 0.614 9.770) 10.458 10.034 ( 3.191 1.129 -11.834) 12.308 10.527 ( -2.203 0.242 1.078) 2.465 10.546 ( -1.318 2.036 -1.170) 2.693 10.955 ( -0.029 -9.013 4.695) 10.163 10.984 ( -6.396 -3.866 5.925) 9.537 11.063 ( 1.449 -8.056 -3.309) 8.829 11.129 ( -6.758 -3.460 -5.957) 9.650 12.344 ( -8.389 -1.707 10.724) 13.722 12.516 ( -11.770 3.136 -8.343) 14.764 12.984 ( 1.387 -3.719 5.541) 6.816 13.083 ( 3.406 -2.810 -4.963) 6.643 13.471 ( -11.234 14.213 9.354) 20.389 13.653 ( -8.880 15.541 -10.284) 20.643 14.734 ( -10.336 -5.257 9.955) 15.283 14.940 ( -9.355 -5.337 -11.690) 15.895 15.245 ( 9.577 2.720 6.976) 12.156 15.358 ( 8.117 2.050 -3.333) 9.011 15.743 ( 2.182 -8.383 3.387) 9.301 15.837 ( -1.646 -4.282 -6.251) 7.754 16.288 ( 11.870 -0.007 3.093) 12.267 16.342 ( 12.461 1.170 -2.562) 12.775 16.574 ( 0.762 -1.870 11.908) 12.078 16.777 ( 0.354 -1.924 -9.618) 9.815 24.377 ( -0.163 -0.178 4.669) 4.675 24.468 ( -0.492 -0.659 -4.989) 5.056 24.524 ( 0.119 -0.896 1.392) 1.659 24.553 ( 0.493 -0.984 -1.523) 1.879 25.017 ( -4.529 3.762 12.549) 13.862 25.134 ( -0.736 1.255 9.469) 9.580 25.240 ( -6.232 8.854 -9.552) 14.438 25.348 ( -0.586 3.067 -10.939) 11.376 27.017 ( -7.044 -0.727 3.245) 7.789 27.077 ( -6.759 -0.547 -3.028) 7.427 27.234 ( -0.366 -3.858 2.899) 4.840 27.292 ( -0.968 -2.192 -3.077) 3.900 27.628 ( 7.967 3.419 5.379) 10.203 27.681 ( 4.510 3.672 1.797) 6.087 28.083 ( 3.766 -9.312 5.285) 11.351 28.265 ( 1.318 -3.618 -13.052) 13.608 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.136 6.872 3.158) 7.565 1.351 ( -5.286 6.456 -3.703) 9.129 1.645 ( 10.949 6.751 13.539) 18.675 1.813 ( 4.361 5.050 3.756) 7.657 1.850 ( 4.177 4.675 -2.671) 6.815 1.921 ( 7.326 8.617 1.464) 11.404 1.995 ( 6.681 7.728 -2.095) 10.428 2.060 ( 5.401 7.249 -3.853) 9.827 2.489 ( -0.001 -0.180 10.934) 10.936 2.701 ( -2.001 -2.061 -10.756) 11.132 2.792 ( -2.274 2.858 5.423) 6.538 2.937 ( -1.638 2.723 -9.423) 9.944 3.179 ( 9.446 -0.529 13.251) 16.282 3.326 ( 1.609 -2.934 2.490) 4.171 3.336 ( 4.612 2.926 1.606) 5.693 3.465 ( 0.782 -2.980 -11.039) 11.461 3.574 ( 2.976 0.940 1.873) 3.640 3.605 ( 9.811 3.155 -1.931) 10.485 3.717 ( 9.837 -3.578 2.681) 10.806 3.771 ( 5.862 -0.481 -1.381) 6.042 3.782 ( 5.790 -4.102 3.278) 7.816 3.920 ( 4.940 -5.587 -3.188) 8.111 3.996 ( 4.018 2.059 1.415) 4.732 4.085 ( 1.027 2.845 -4.233) 5.203 4.186 ( -4.730 0.066 10.310) 11.343 4.372 ( -2.518 0.073 -8.687) 9.045 4.526 ( 6.355 0.206 3.381) 7.201 4.553 ( 10.409 -3.123 1.840) 11.022 4.594 ( 4.204 1.565 2.689) 5.230 4.652 ( 6.659 -0.835 -1.112) 6.803 4.838 ( 8.877 1.715 4.702) 10.190 4.896 ( 6.070 0.434 0.492) 6.106 4.969 ( 5.287 -3.220 3.482) 7.102 5.101 ( 8.193 -0.697 -8.659) 11.941 5.218 ( 10.325 2.092 -2.291) 10.781 5.270 ( 10.601 0.100 -7.245) 12.841 6.680 ( -3.320 4.593 8.186) 9.957 6.833 ( -4.415 5.953 -8.000) 10.905 6.940 ( -1.623 0.975 8.179) 8.395 7.083 ( -1.447 -0.403 -6.772) 6.937 7.257 ( 0.250 3.761 6.747) 7.729 7.399 ( 0.330 4.561 -8.156) 9.351 7.655 ( -1.051 -0.205 1.987) 2.257 7.687 ( -2.211 0.194 -1.352) 2.599 7.807 ( -5.255 0.694 2.080) 5.694 7.824 ( -4.973 -0.687 -0.053) 5.020 7.887 ( 0.532 -2.062 0.372) 2.162 7.895 ( -0.328 -2.391 -0.331) 2.436 8.614 ( -0.822 -3.725 8.802) 9.593 8.749 ( -2.269 -0.285 -5.122) 5.609 8.858 ( 0.709 3.877 5.710) 6.938 8.937 ( 2.655 -0.944 -1.421) 3.156 9.191 ( -2.169 -11.489 4.675) 12.592 9.311 ( -4.274 -8.318 -3.552) 10.003 9.390 ( -1.118 -5.952 -1.284) 6.191 9.469 ( 2.919 4.604 -8.366) 9.985 9.916 ( 4.146 2.203 10.024) 11.069 10.120 ( 4.316 2.352 -11.466) 12.475 10.470 ( -2.727 0.372 2.150) 3.492 10.514 ( -1.487 1.387 -2.803) 3.463 10.774 ( -11.749 -2.395 6.349) 13.568 10.884 ( -10.199 -4.183 -4.940) 12.080 11.036 ( 1.257 -10.430 3.726) 11.146 11.116 ( 2.489 -10.923 -4.433) 12.048 12.178 ( -6.767 1.862 7.617) 10.358 12.298 ( -8.523 2.872 -5.520) 10.553 12.963 ( -2.665 -4.030 8.611) 9.874 13.111 ( -1.310 -3.279 -6.815) 7.676 13.273 ( -6.553 12.780 10.514) 17.799 13.498 ( -6.279 14.555 -13.043) 20.528 14.520 ( -9.080 -4.818 10.314) 14.562 14.737 ( -8.586 -4.836 -12.731) 16.099 15.428 ( -1.412 1.766 6.588) 6.966 15.450 ( 7.425 3.138 5.595) 9.812 15.718 ( -3.509 1.204 2.441) 4.441 15.873 ( 6.338 -1.118 -12.213) 13.805 16.547 ( 5.502 -3.003 8.950) 10.927 16.581 ( 9.426 -2.021 4.717) 10.733 16.655 ( 12.065 -2.080 -1.924) 12.393 16.779 ( -0.186 -2.033 -9.423) 9.642 24.372 ( -0.302 -0.008 4.238) 4.249 24.456 ( -0.536 -0.174 -4.793) 4.826 24.531 ( 0.508 -1.120 2.095) 2.429 24.571 ( 1.198 -0.814 -1.959) 2.436 24.924 ( -4.013 4.223 11.133) 12.565 25.099 ( -2.814 4.434 -2.599) 5.859 25.139 ( -2.767 3.011 3.867) 5.628 25.315 ( -2.501 1.688 -9.949) 10.396 26.904 ( -4.128 0.213 3.687) 5.539 26.981 ( -3.123 0.444 -4.580) 5.561 27.197 ( -2.628 -3.535 2.819) 5.230 27.253 ( -2.413 -2.353 -2.973) 4.495 27.651 ( -2.495 1.776 8.951) 9.461 27.773 ( 1.180 2.206 -3.000) 3.906 28.113 ( 2.510 -3.337 11.563) 12.293 28.411 ( 9.145 -5.855 -18.874) 21.774 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.221 5.499 0.480) 5.950 1.290 ( -0.484 6.516 -2.469) 6.984 1.811 ( 4.761 0.117 7.707) 9.060 1.911 ( 3.239 0.764 -3.026) 4.498 1.961 ( 7.068 7.740 7.323) 12.786 2.075 ( 5.601 6.720 -1.795) 8.930 2.090 ( 3.327 4.127 1.140) 5.422 2.170 ( 6.160 4.013 -3.304) 8.061 2.460 ( -1.386 1.407 10.089) 10.280 2.604 ( -5.003 4.344 -2.611) 7.122 2.825 ( 3.327 0.161 -2.131) 3.954 2.866 ( -6.135 3.732 -3.780) 8.115 3.245 ( -2.719 5.755 10.206) 12.028 3.281 ( -0.139 -5.625 8.192) 9.938 3.386 ( 0.394 2.669 -1.707) 3.193 3.457 ( -0.635 -11.389 -8.677) 14.332 3.636 ( 1.635 4.687 -3.529) 6.091 3.667 ( -0.486 0.392 -4.928) 4.968 3.793 ( 0.408 -4.887 2.515) 5.512 3.818 ( 2.508 -4.229 0.114) 4.918 3.949 ( 1.383 -2.670 0.708) 3.089 3.984 ( -0.240 -1.780 -3.211) 3.679 4.105 ( -2.840 3.211 8.109) 9.172 4.205 ( 14.848 2.970 6.768) 16.586 4.254 ( 0.893 0.278 -4.952) 5.040 4.382 ( 11.530 4.202 -8.845) 15.127 4.600 ( 3.276 0.952 1.071) 3.576 4.621 ( 3.976 0.582 -1.256) 4.210 4.763 ( 2.124 -2.503 4.534) 5.598 4.799 ( 3.173 -3.182 0.590) 4.532 4.978 ( 4.671 0.428 4.415) 6.441 5.020 ( 5.810 3.262 0.235) 6.668 5.093 ( 10.262 1.124 10.060) 14.415 5.290 ( 11.424 1.100 -10.368) 15.467 5.527 ( 13.929 2.225 -4.670) 14.858 5.552 ( 12.179 1.338 -7.135) 14.178 6.652 ( 0.121 1.768 7.244) 7.458 6.786 ( -0.602 2.262 -6.792) 7.184 6.903 ( -1.782 0.391 8.217) 8.417 7.050 ( -1.534 -0.817 -7.135) 7.344 7.243 ( -1.139 3.745 6.988) 8.010 7.389 ( -0.864 4.097 -8.346) 9.338 7.626 ( -1.572 -1.255 1.527) 2.525 7.644 ( -1.588 -0.163 -0.654) 1.725 7.745 ( -0.532 0.703 1.180) 1.473 7.756 ( -0.912 0.375 0.104) 0.991 7.884 ( -1.180 -2.789 0.806) 3.133 7.894 ( -0.484 -2.361 -0.261) 2.425 8.558 ( -4.061 -1.577 7.383) 8.572 8.676 ( -4.327 1.603 -4.976) 6.786 8.860 ( -0.158 1.115 6.830) 6.923 8.970 ( 0.706 -5.843 -2.127) 6.258 9.084 ( -6.249 -10.800 1.426) 12.559 9.176 ( -8.421 -11.384 -6.646) 15.642 9.369 ( 0.211 5.058 7.563) 9.101 9.532 ( 3.054 4.968 -9.146) 10.847 9.979 ( 1.844 3.081 10.440) 11.040 10.188 ( 2.177 3.274 -11.527) 12.179 10.434 ( -0.754 -1.191 3.087) 3.393 10.495 ( -0.416 -0.834 -3.727) 3.842 10.547 ( -9.034 -1.386 6.442) 11.181 10.675 ( -8.347 -1.927 -6.757) 10.910 11.076 ( 1.797 -13.515 4.907) 14.490 11.157 ( 1.377 -12.363 -3.742) 12.990 12.080 ( -2.856 1.949 5.433) 6.440 12.175 ( -3.689 1.200 -4.652) 6.057 12.915 ( -1.509 -3.949 10.394) 11.221 13.073 ( -0.719 4.407 -1.359) 4.667 13.180 ( -3.824 5.082 3.208) 7.123 13.381 ( -4.982 14.391 -13.032) 20.044 14.384 ( -4.143 -4.416 10.729) 12.320 14.612 ( -3.667 -4.554 -13.477) 14.690 15.371 ( -2.814 2.623 6.795) 7.808 15.476 ( -2.783 5.255 -4.157) 7.255 15.730 ( 3.376 1.590 14.225) 14.706 15.994 ( 4.415 1.355 -13.071) 13.863 16.559 ( -0.233 -1.519 11.676) 11.776 16.760 ( 1.079 -2.223 -8.111) 8.479 16.800 ( 5.911 -3.273 2.313) 7.142 16.873 ( 7.620 -2.930 -4.061) 9.118 24.366 ( -0.231 0.109 3.864) 3.873 24.449 ( -0.194 0.071 -5.044) 5.048 24.542 ( 0.503 -1.344 3.007) 3.332 24.595 ( 0.991 -0.885 -2.255) 2.617 24.861 ( -2.033 3.955 10.355) 11.270 25.051 ( -1.319 4.887 -9.027) 10.349 25.104 ( -1.129 0.448 8.075) 8.166 25.256 ( -2.771 0.994 -7.939) 8.468 26.842 ( -1.991 0.370 4.340) 4.789 26.934 ( -1.551 0.480 -5.602) 5.833 27.146 ( -1.969 -3.497 3.159) 5.108 27.207 ( -1.808 -2.626 -3.202) 4.518 27.602 ( -1.850 3.196 8.345) 9.125 27.738 ( -2.584 3.104 -6.179) 7.382 28.197 ( 3.993 -2.412 17.841) 18.441 28.559 ( 4.928 -6.394 -20.235) 21.786 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 5.132 1.550) 5.361 1.286 ( -0.000 7.382 -3.296) 8.084 1.862 ( 0.000 -1.587 6.936) 7.115 1.955 ( 0.000 -2.020 -2.590) 3.285 2.018 ( -0.000 8.757 4.798) 9.985 2.109 ( -0.000 8.435 -4.673) 9.643 2.167 ( -0.000 -6.743 3.800) 7.740 2.257 ( -0.000 -2.374 -4.613) 5.188 2.440 ( -0.000 12.254 9.812) 15.699 2.578 ( -0.000 11.126 -4.160) 11.878 2.737 ( 0.000 1.579 8.650) 8.793 2.877 ( 0.000 -1.109 -4.695) 4.824 3.199 ( 0.000 8.378 12.370) 14.940 3.303 ( -0.000 -9.435 4.855) 10.611 3.378 ( 0.000 4.269 -4.322) 6.075 3.446 ( 0.000 -12.442 -9.178) 15.461 3.631 ( 0.000 1.709 -2.643) 3.147 3.669 ( 0.000 6.251 -6.589) 9.083 3.802 ( 0.000 -6.485 2.782) 7.056 3.842 ( 0.000 -4.753 -1.070) 4.872 3.964 ( 0.000 -2.738 -0.498) 2.782 3.980 ( 0.000 -2.740 -2.682) 3.834 4.073 ( 0.000 3.831 7.895) 8.775 4.212 ( 0.000 4.797 -6.740) 8.272 4.398 ( -0.000 2.259 7.113) 7.464 4.502 ( 0.000 4.775 -3.675) 6.025 4.644 ( 0.000 -4.643 5.798) 7.428 4.721 ( 0.000 -6.335 -1.175) 6.443 4.749 ( -0.000 0.202 1.242) 1.259 4.797 ( 0.000 -0.074 -3.883) 3.884 5.023 ( 0.000 2.000 5.765) 6.102 5.070 ( 0.000 2.263 0.631) 2.349 5.274 ( 0.000 3.082 10.169) 10.626 5.469 ( -0.000 2.959 -10.469) 10.879 5.656 ( 0.000 2.177 -5.707) 6.108 5.668 ( 0.000 4.003 -6.741) 7.840 6.658 ( 0.000 0.524 6.882) 6.901 6.785 ( 0.000 0.983 -6.466) 6.540 6.881 ( 0.000 -0.164 8.506) 8.508 7.032 ( 0.000 -1.004 -7.431) 7.499 7.229 ( 0.000 3.808 7.241) 8.181 7.378 ( 0.000 3.968 -8.504) 9.384 7.607 ( 0.000 -1.830 1.632) 2.452 7.628 ( 0.000 -1.068 -0.901) 1.397 7.761 ( 0.000 -0.323 0.731) 0.799 7.770 ( 0.000 0.189 -0.146) 0.239 7.855 ( 0.000 -2.235 2.248) 3.170 7.877 ( 0.000 -1.702 -0.157) 1.709 8.499 ( 0.000 -2.512 6.554) 7.019 8.614 ( 0.000 0.254 -5.525) 5.531 8.859 ( 0.000 1.554 7.538) 7.696 8.978 ( -0.000 -11.134 4.827) 12.135 9.020 ( 0.000 -3.275 -9.324) 9.883 9.059 ( -0.000 -9.890 -3.785) 10.589 9.378 ( 0.000 6.635 9.710) 11.760 9.569 ( 0.000 4.412 -10.226) 11.137 9.995 ( 0.000 3.081 10.554) 10.995 10.208 ( 0.000 3.556 -11.796) 12.321 10.434 ( 0.000 -2.188 2.306) 3.179 10.443 ( -0.000 -0.672 7.818) 7.847 10.492 ( 0.000 -1.831 -3.865) 4.277 10.585 ( 0.000 -1.315 -7.117) 7.238 11.096 ( 0.000 -14.270 4.793) 15.054 11.171 ( 0.000 -12.675 -3.142) 13.058 12.052 ( 0.000 1.425 4.658) 4.871 12.138 ( 0.000 0.321 -4.442) 4.453 12.902 ( 0.000 -4.757 11.729) 12.657 13.088 ( 0.000 15.622 11.711) 19.524 13.118 ( -0.000 -6.135 -11.184) 12.756 13.322 ( 0.000 15.640 -13.003) 20.340 14.343 ( 0.000 -4.245 10.958) 11.752 14.576 ( 0.000 -4.458 -13.836) 14.536 15.339 ( 0.000 2.997 5.981) 6.690 15.439 ( 0.000 6.022 -4.576) 7.564 15.772 ( 0.000 1.418 15.488) 15.552 16.040 ( 0.000 1.857 -12.505) 12.642 16.556 ( 0.000 -1.118 11.358) 11.413 16.760 ( 0.000 -1.842 -9.921) 10.091 16.872 ( 0.000 -3.734 4.234) 5.646 16.952 ( 0.000 -3.034 -4.193) 5.176 24.363 ( -0.000 0.142 3.751) 3.754 24.447 ( -0.000 0.121 -5.249) 5.251 24.548 ( 0.000 -1.418 3.397) 3.681 24.606 ( -0.000 -0.944 -2.392) 2.572 24.841 ( 0.000 3.821 10.247) 10.937 25.041 ( 0.000 4.484 -10.473) 11.392 25.092 ( 0.000 0.174 7.675) 7.677 25.223 ( -0.000 0.723 -6.341) 6.382 26.821 ( 0.000 0.377 4.544) 4.559 26.917 ( 0.000 0.456 -5.827) 5.845 27.125 ( -0.000 -3.431 3.264) 4.736 27.187 ( 0.000 -2.672 -3.276) 4.227 27.583 ( 0.000 3.733 7.724) 8.579 27.708 ( 0.000 3.800 -5.720) 6.867 28.241 ( 0.000 -2.548 18.481) 18.656 28.609 ( 0.000 -6.510 -20.251) 21.271 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 17.982 15.584) 23.795 1.568 ( 0.000 3.413 17.871) 18.193 1.702 ( 0.000 -1.454 3.217) 3.530 1.780 ( 0.000 2.793 -5.015) 5.740 1.813 ( 0.000 2.249 -5.881) 6.296 1.934 ( 0.000 12.038 -17.358) 21.124 1.944 ( 0.000 20.476 -1.188) 20.510 2.036 ( 0.000 18.839 -11.628) 22.138 2.722 ( 0.000 11.382 10.417) 15.429 2.793 ( 0.000 -5.350 1.535) 5.566 2.825 ( 0.000 -0.327 3.516) 3.531 2.898 ( 0.000 -2.170 -4.347) 4.859 2.926 ( 0.000 2.747 -2.464) 3.690 2.975 ( 0.000 -8.494 -7.501) 11.332 3.153 ( 0.000 14.315 13.039) 19.364 3.294 ( 0.000 -8.401 3.887) 9.256 3.332 ( 0.000 -11.642 -0.396) 11.648 3.384 ( 0.000 6.893 -6.429) 9.426 3.525 ( 0.000 -3.347 8.425) 9.066 3.661 ( 0.000 -2.396 -4.962) 5.510 3.767 ( 0.000 2.799 -2.534) 3.776 3.811 ( 0.000 -2.825 -3.850) 4.775 3.895 ( 0.000 0.191 0.472) 0.509 3.931 ( 0.000 1.336 -3.288) 3.550 4.105 ( 0.000 -0.857 9.050) 9.091 4.234 ( 0.000 -1.108 -4.301) 4.442 4.298 ( 0.000 -0.757 9.972) 10.000 4.400 ( 0.000 -1.148 17.677) 17.714 4.495 ( 0.000 -0.132 -10.026) 10.026 4.656 ( 0.000 1.431 -7.258) 7.397 4.659 ( 0.000 -6.523 4.176) 7.745 4.742 ( 0.000 -5.886 -4.022) 7.129 4.829 ( 0.000 3.082 1.686) 3.513 4.937 ( 0.000 1.267 -10.705) 10.780 5.102 ( 0.000 -1.674 2.686) 3.165 5.129 ( 0.000 -0.221 0.006) 0.222 7.007 ( 0.000 2.656 6.631) 7.143 7.065 ( 0.000 6.543 13.376) 14.891 7.117 ( 0.000 2.355 -4.405) 4.995 7.255 ( 0.000 3.346 6.458) 7.274 7.286 ( 0.000 5.344 -9.358) 10.777 7.412 ( 0.000 4.278 -9.585) 10.496 7.604 ( 0.000 -6.164 3.457) 7.067 7.688 ( 0.000 -4.357 -5.541) 7.049 7.885 ( 0.000 0.916 0.585) 1.087 7.894 ( 0.000 1.798 -0.285) 1.821 7.994 ( 0.000 -3.952 6.756) 7.827 8.136 ( 0.000 -4.776 -9.275) 10.432 8.423 ( 0.000 0.404 2.968) 2.995 8.481 ( 0.000 0.317 -3.206) 3.222 8.771 ( 0.000 -10.937 7.786) 13.425 8.893 ( 0.000 -14.801 -5.127) 15.664 9.103 ( 0.000 12.601 2.082) 12.772 9.137 ( 0.000 11.297 -1.697) 11.424 9.414 ( 0.000 0.530 2.348) 2.407 9.484 ( 0.000 2.357 -5.511) 5.994 9.784 ( 0.000 0.042 11.425) 11.425 10.021 ( 0.000 1.380 -13.433) 13.504 10.427 ( 0.000 -12.631 5.760) 13.883 10.526 ( 0.000 -7.013 -4.728) 8.458 10.821 ( 0.000 -2.615 3.238) 4.163 10.876 ( 0.000 -5.226 -2.842) 5.949 10.990 ( 0.000 -4.531 6.923) 8.274 11.101 ( 0.000 -6.124 -4.935) 7.865 12.455 ( 0.000 5.017 14.758) 15.588 12.733 ( 0.000 4.169 -15.327) 15.884 12.881 ( 0.000 -4.140 6.333) 7.566 13.003 ( 0.000 -2.096 -6.501) 6.831 13.929 ( 0.000 15.185 10.347) 18.376 14.119 ( 0.000 16.740 -10.073) 19.537 14.695 ( 0.000 -9.404 9.753) 13.548 14.883 ( 0.000 -8.036 -9.552) 12.483 15.214 ( 0.000 2.452 3.831) 4.549 15.313 ( 0.000 3.512 -6.054) 6.999 15.452 ( 0.000 -9.090 11.795) 14.891 15.646 ( 0.000 -8.048 -9.194) 12.219 16.231 ( 0.000 4.043 5.712) 6.998 16.333 ( 0.000 6.637 -5.112) 8.377 16.513 ( 0.000 -3.412 11.731) 12.217 16.714 ( 0.000 -3.920 -9.623) 10.391 24.380 ( 0.000 0.549 4.011) 4.048 24.459 ( 0.000 -0.325 -4.378) 4.390 24.494 ( 0.000 -2.042 1.533) 2.554 24.522 ( 0.000 -1.425 -1.496) 2.067 25.153 ( 0.000 3.663 18.375) 18.737 25.168 ( 0.000 1.609 12.306) 12.411 25.401 ( 0.000 3.718 -12.258) 12.809 25.507 ( 0.000 4.631 -20.067) 20.594 27.090 ( 0.000 -3.195 3.171) 4.501 27.119 ( 0.000 -2.779 5.191) 5.888 27.148 ( 0.000 -2.376 -3.018) 3.841 27.215 ( 0.000 -3.005 -4.969) 5.807 27.651 ( 0.000 6.272 5.535) 8.364 27.751 ( 0.000 8.440 -5.065) 9.843 27.867 ( 0.000 -4.963 16.977) 17.687 28.154 ( 0.000 -6.694 -14.022) 15.538 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.974 8.721 10.687) 13.934 1.661 ( 4.107 6.358 9.181) 11.899 1.665 ( -7.856 6.510 -7.737) 12.804 1.770 ( 3.320 -0.466 0.943) 3.482 1.832 ( 5.328 6.298 3.573) 8.990 2.023 ( 8.073 18.324 2.360) 20.162 2.077 ( 5.472 10.637 -15.363) 19.471 2.117 ( 7.871 14.031 -7.429) 17.720 2.653 ( -4.506 8.334 7.223) 11.914 2.733 ( -2.107 -0.804 -2.333) 3.245 2.860 ( -1.990 -4.525 2.844) 5.703 2.930 ( 0.525 -3.324 -1.922) 3.876 2.971 ( 6.568 -0.701 1.901) 6.873 3.057 ( 6.568 -5.361 -4.890) 9.787 3.273 ( 9.808 9.081 7.716) 15.434 3.365 ( 6.691 -4.747 1.384) 8.319 3.381 ( 7.879 -3.656 2.486) 9.034 3.471 ( 8.706 3.199 -1.983) 9.485 3.566 ( 2.515 -1.334 5.694) 6.366 3.667 ( 1.749 -1.516 -4.245) 4.835 3.772 ( -2.367 0.694 -2.517) 3.524 3.798 ( -1.200 0.115 -3.735) 3.925 3.970 ( 3.571 -0.123 1.507) 3.877 3.993 ( 8.120 -2.548 -0.747) 8.543 4.149 ( 4.963 0.425 6.430) 8.133 4.265 ( 3.958 1.188 -4.652) 6.222 4.358 ( 2.602 0.685 11.881) 12.182 4.436 ( 6.268 -1.235 10.854) 12.594 4.538 ( 2.851 0.697 -7.241) 7.813 4.665 ( 2.678 -3.529 -2.102) 4.904 4.681 ( 0.219 -1.364 -2.677) 3.013 4.734 ( 2.022 -4.535 -3.594) 6.129 4.855 ( 1.630 2.311 1.830) 3.368 4.947 ( 3.547 1.048 -7.063) 7.973 5.132 ( 2.632 -1.479 0.881) 3.145 5.151 ( 2.188 -0.923 -0.827) 2.515 6.937 ( -7.900 5.958 10.995) 14.792 6.992 ( -2.164 1.887 6.309) 6.932 7.114 ( -1.541 1.829 -5.500) 5.998 7.157 ( -8.929 5.927 -9.481) 14.308 7.313 ( 3.275 4.384 7.569) 9.340 7.464 ( 2.766 3.606 -7.397) 8.682 7.621 ( 0.960 -4.429 2.340) 5.101 7.687 ( -0.335 -3.750 -4.464) 5.840 7.860 ( -2.070 0.127 0.558) 2.148 7.868 ( -2.063 0.110 -0.047) 2.066 7.928 ( -4.640 -0.545 3.668) 5.940 7.994 ( -8.326 0.549 -3.569) 9.075 8.472 ( 3.145 -2.562 5.846) 7.115 8.591 ( 5.931 -4.706 -6.559) 10.017 8.823 ( 3.336 -12.557 5.707) 14.190 8.912 ( 0.793 -14.933 -3.449) 15.347 9.098 ( -0.735 12.537 2.887) 12.886 9.162 ( 1.823 9.699 -4.097) 10.686 9.422 ( 0.940 2.713 3.876) 4.823 9.513 ( 2.662 3.498 -6.172) 7.577 9.825 ( 3.791 -0.716 10.829) 11.495 10.047 ( 2.713 0.460 -12.357) 12.660 10.430 ( -0.077 -12.130 5.442) 13.296 10.531 ( -0.078 -6.542 -5.218) 8.369 10.784 ( -3.137 -4.283 3.219) 6.209 10.835 ( -3.900 -6.965 -1.747) 8.171 10.935 ( -4.855 -4.429 5.380) 8.493 11.034 ( -6.217 -5.528 -4.770) 9.590 12.397 ( -4.952 6.492 12.266) 14.735 12.616 ( -8.953 6.590 -11.125) 15.728 12.890 ( -0.551 -5.632 6.096) 8.317 13.014 ( 0.306 -4.170 -6.730) 7.923 13.786 ( -10.746 15.812 10.488) 21.806 13.989 ( -9.371 16.508 -11.338) 22.111 14.582 ( -9.744 -9.470 10.246) 17.017 14.790 ( -9.081 -9.238 -11.783) 17.511 15.311 ( 9.759 3.466 7.728) 12.922 15.410 ( 7.054 2.613 1.194) 7.617 15.594 ( 11.036 -5.026 2.382) 12.358 15.739 ( 4.895 -4.899 -9.566) 11.810 16.305 ( 7.274 1.795 5.141) 9.087 16.395 ( 6.539 4.044 -4.318) 8.818 16.521 ( 0.793 -3.344 11.199) 11.715 16.717 ( 0.194 -3.971 -9.500) 10.298 24.379 ( -0.034 0.592 4.013) 4.057 24.458 ( -0.056 -0.131 -4.339) 4.341 24.494 ( 0.025 -2.040 1.747) 2.686 24.528 ( 0.566 -1.474 -1.908) 2.477 25.108 ( -3.686 4.292 15.982) 16.954 25.161 ( -0.891 1.328 12.280) 12.383 25.370 ( -3.601 4.199 -11.815) 13.046 25.440 ( -4.932 4.451 -16.359) 17.657 27.004 ( -5.120 -0.408 3.688) 6.323 27.065 ( -4.435 -0.586 -2.010) 4.904 27.148 ( -0.742 -4.180 2.513) 4.934 27.221 ( -0.990 -4.365 -4.269) 6.185 27.706 ( 2.985 4.084 6.643) 8.350 27.779 ( 2.710 5.201 2.657) 6.439 27.946 ( 5.990 -3.623 5.849) 9.123 28.163 ( 2.154 -5.524 -13.390) 14.644 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.068 8.476 1.595) 8.690 1.506 ( -6.750 7.869 -3.588) 10.971 1.739 ( 3.674 1.445 4.972) 6.348 1.830 ( 2.550 -2.465 -4.393) 5.646 1.967 ( 6.493 9.049 10.019) 14.981 2.159 ( 3.721 12.579 -0.550) 13.129 2.192 ( 4.751 8.155 -7.718) 12.192 2.230 ( 3.658 10.829 -2.992) 11.815 2.572 ( -2.492 5.348 8.302) 10.185 2.701 ( -0.651 -1.530 -6.297) 6.513 2.814 ( -1.205 1.664 7.673) 7.943 2.976 ( 2.933 0.163 -8.605) 9.092 3.071 ( 1.522 -8.384 4.270) 9.531 3.153 ( 2.717 -8.023 -4.420) 9.555 3.438 ( 5.341 4.329 3.437) 7.686 3.482 ( -0.200 1.476 1.583) 2.174 3.573 ( 3.677 -5.301 7.919) 10.215 3.654 ( 6.852 2.739 4.198) 8.490 3.683 ( 6.377 -4.258 2.574) 8.089 3.747 ( 1.187 5.225 -7.137) 8.925 3.788 ( 8.536 1.213 -2.136) 8.882 3.793 ( 8.284 -1.010 -3.084) 8.897 4.043 ( 5.494 1.499 1.536) 5.898 4.102 ( 2.855 -1.241 -2.138) 3.776 4.223 ( 1.050 3.865 9.141) 9.980 4.399 ( 5.356 2.604 -8.155) 10.098 4.517 ( 12.415 1.066 4.390) 13.212 4.556 ( 4.656 2.454 0.526) 5.289 4.605 ( 4.747 -0.316 3.023) 5.636 4.688 ( 2.423 2.187 -4.163) 5.290 4.777 ( 7.196 -5.709 4.040) 10.034 4.857 ( 8.300 -5.569 -4.354) 10.902 4.954 ( 7.708 3.108 7.332) 11.083 5.088 ( 9.142 -0.332 -6.665) 11.318 5.247 ( 10.698 0.070 -1.403) 10.790 5.264 ( 11.402 -1.295 -2.874) 11.830 6.789 ( -5.734 5.523 8.993) 12.011 6.930 ( -4.374 1.943 0.978) 4.885 6.985 ( -5.927 3.936 -3.465) 7.914 7.076 ( -2.526 -0.246 -6.290) 6.783 7.356 ( 0.764 5.442 7.229) 9.081 7.496 ( 0.345 3.877 -6.913) 7.933 7.618 ( -1.424 -2.943 1.785) 3.725 7.659 ( -2.350 -2.655 -2.400) 4.282 7.811 ( -3.165 -1.651 0.735) 3.645 7.823 ( -3.342 -2.333 -0.333) 4.089 7.852 ( -1.387 1.380 1.722) 2.607 7.885 ( -1.981 3.195 -1.821) 4.177 8.513 ( 0.367 -4.357 7.803) 8.945 8.659 ( 0.529 -6.572 -7.218) 9.776 8.845 ( -1.702 -13.524 3.283) 14.021 8.898 ( -2.088 -13.722 -2.375) 14.081 9.074 ( -1.525 13.477 4.613) 14.326 9.172 ( -1.008 8.647 -5.878) 10.504 9.455 ( 2.083 5.629 6.323) 8.718 9.579 ( 3.387 4.965 -6.762) 9.047 9.917 ( 4.439 -2.118 10.483) 11.579 10.123 ( 4.132 -1.668 -11.015) 11.882 10.408 ( -2.065 -10.056 4.227) 11.102 10.498 ( -3.129 -5.788 -5.268) 8.429 10.694 ( -7.663 -4.245 4.097) 9.671 10.732 ( -3.975 -7.969 0.853) 8.946 10.842 ( -3.527 -8.972 -0.378) 9.648 10.878 ( -7.177 -6.732 -3.335) 10.390 12.285 ( -5.311 8.308 8.219) 12.837 12.430 ( -8.355 9.166 -7.207) 14.344 12.849 ( -2.941 -7.035 8.017) 11.064 12.999 ( -1.648 -7.071 -7.758) 10.625 13.587 ( -7.766 16.267 11.251) 21.249 13.818 ( -6.937 15.984 -13.251) 21.891 14.380 ( -8.505 -8.761 10.443) 16.067 14.598 ( -8.080 -8.694 -12.688) 17.374 15.479 ( 0.032 3.177 10.283) 10.763 15.527 ( 9.043 3.836 8.386) 12.916 15.752 ( -0.340 2.089 -4.374) 4.859 15.852 ( 10.166 -0.860 -11.610) 15.456 16.487 ( 6.450 -2.396 8.137) 10.656 16.534 ( 5.804 -2.363 6.090) 8.738 16.609 ( 10.009 -2.002 -3.092) 10.666 16.719 ( 0.067 -3.651 -9.027) 9.738 24.378 ( -0.125 0.729 3.951) 4.019 24.456 ( -0.085 0.317 -4.443) 4.455 24.497 ( 0.278 -2.142 2.401) 3.229 24.545 ( 1.022 -1.713 -2.688) 3.347 25.025 ( -3.954 4.992 13.224) 14.677 25.135 ( -1.495 0.732 10.556) 10.686 25.257 ( -5.851 5.874 -10.373) 13.279 25.355 ( -3.804 1.900 -11.825) 12.566 26.912 ( -3.687 0.685 4.130) 5.579 26.990 ( -2.820 0.464 -3.778) 4.737 27.106 ( -2.765 -4.905 3.008) 6.383 27.179 ( -2.574 -4.649 -4.126) 6.728 27.717 ( -0.671 4.686 8.758) 9.956 27.844 ( 1.463 4.827 -3.391) 6.078 28.040 ( 4.201 -3.568 9.101) 10.640 28.275 ( 7.125 -7.048 -14.036) 17.247 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.867 8.300 0.155) 8.783 1.450 ( 0.137 8.316 -4.445) 9.431 1.797 ( 1.662 -1.982 3.424) 4.291 1.867 ( 0.848 -4.949 -4.052) 6.452 2.069 ( 3.316 4.470 8.286) 9.982 2.203 ( 1.173 8.081 -0.158) 8.168 2.238 ( 0.747 5.544 -3.670) 6.690 2.289 ( 1.462 10.240 -3.936) 11.068 2.598 ( 5.502 4.970 8.792) 11.500 2.728 ( 2.957 3.857 -4.338) 6.514 2.816 ( 0.818 2.910 8.483) 9.005 2.943 ( -6.295 0.769 0.340) 6.351 3.097 ( 1.326 -9.909 -2.998) 10.437 3.182 ( 0.498 -5.764 -8.337) 10.147 3.384 ( -4.920 4.466 11.014) 12.863 3.495 ( 0.430 5.570 -0.426) 5.603 3.651 ( 2.356 -4.826 3.229) 6.266 3.721 ( -1.425 0.853 1.854) 2.489 3.733 ( 2.372 -1.606 -3.901) 4.840 3.744 ( 1.447 -1.904 -2.953) 3.800 3.867 ( 2.467 -3.109 0.934) 4.078 3.974 ( 0.426 3.165 -8.599) 9.173 4.105 ( 0.587 -2.048 7.614) 7.906 4.232 ( 3.754 -1.844 -5.053) 6.560 4.325 ( 10.330 6.953 9.223) 15.495 4.481 ( 5.760 4.393 -5.777) 9.266 4.627 ( 0.852 1.500 0.975) 1.982 4.645 ( 1.269 2.243 -0.497) 2.625 4.723 ( 2.799 -1.693 1.874) 3.770 4.751 ( 3.248 -1.955 -1.215) 3.981 4.945 ( 6.005 -3.570 4.645) 8.389 5.007 ( 5.404 -3.802 -2.176) 6.956 5.174 ( 14.734 6.495 9.382) 18.636 5.334 ( 15.543 3.824 -7.680) 17.754 5.560 ( 15.356 0.052 -1.461) 15.425 5.581 ( 14.704 0.740 -3.878) 15.225 6.709 ( -2.147 3.728 6.925) 8.152 6.843 ( -2.934 2.872 -5.390) 6.775 6.901 ( -3.210 -0.558 4.371) 5.451 7.022 ( -2.404 -1.864 -6.875) 7.518 7.353 ( -0.624 6.388 6.803) 9.353 7.489 ( -0.570 4.549 -7.228) 8.560 7.577 ( -2.090 -2.785 1.910) 3.971 7.610 ( -2.056 -2.701 -1.522) 3.721 7.746 ( -2.168 -1.010 0.869) 2.545 7.759 ( -2.089 -1.649 -0.286) 2.677 7.836 ( -1.224 -0.858 1.458) 2.088 7.863 ( -1.150 0.549 -1.396) 1.890 8.478 ( -3.420 -4.209 7.196) 9.011 8.612 ( -4.707 -6.477 -6.726) 10.457 8.776 ( -3.591 -12.729 3.850) 13.775 8.849 ( -2.038 -12.483 -3.880) 13.230 9.045 ( -1.030 14.768 5.015) 15.630 9.142 ( -1.336 11.772 -5.363) 13.005 9.494 ( 1.489 6.604 8.108) 10.563 9.641 ( 2.359 5.281 -7.190) 9.228 9.985 ( 1.963 -2.952 10.769) 11.338 10.195 ( 2.471 -2.912 -11.021) 11.664 10.365 ( -1.570 -8.601 2.310) 9.043 10.427 ( -3.128 -8.003 -4.449) 9.676 10.523 ( -7.014 -0.198 6.123) 9.312 10.634 ( -5.388 -1.783 -5.455) 7.872 10.771 ( -1.387 -12.065 3.164) 12.550 10.828 ( -0.319 -16.572 -2.629) 16.783 12.196 ( -3.091 8.778 5.481) 10.800 12.295 ( -4.531 9.654 -4.965) 11.763 12.792 ( -2.218 -7.764 9.139) 12.195 12.964 ( -1.385 -9.086 -8.960) 12.836 13.470 ( -3.788 16.529 11.522) 20.501 13.705 ( -3.985 16.271 -13.331) 21.409 14.255 ( -3.784 -8.250 10.704) 14.034 14.480 ( -3.484 -8.318 -13.284) 16.056 15.453 ( -1.669 5.426 10.409) 11.856 15.621 ( 0.044 8.290 -5.143) 9.756 15.757 ( 2.051 0.676 11.874) 12.069 16.017 ( 5.323 0.312 -13.353) 14.378 16.528 ( 0.814 -1.062 10.302) 10.388 16.694 ( 5.241 -4.245 0.681) 6.779 16.723 ( 1.412 -3.519 -4.730) 6.062 16.798 ( 6.858 -4.119 -4.815) 9.337 24.375 ( -0.129 0.889 3.859) 3.962 24.456 ( -0.002 0.687 -4.778) 4.827 24.504 ( 0.334 -2.346 3.185) 3.970 24.565 ( 0.831 -2.004 -3.246) 3.905 24.959 ( -2.239 5.081 11.549) 12.814 25.106 ( -1.192 0.076 8.975) 9.054 25.167 ( -2.681 5.275 -9.775) 11.427 25.279 ( -3.301 0.967 -9.034) 9.667 26.854 ( -1.932 0.916 4.560) 5.036 26.946 ( -1.493 0.747 -5.136) 5.400 27.055 ( -1.907 -5.061 3.801) 6.610 27.132 ( -1.758 -4.485 -4.141) 6.353 27.703 ( -0.553 6.663 8.035) 10.453 27.839 ( -1.018 6.817 -6.312) 9.346 28.127 ( 3.476 -4.523 13.364) 14.530 28.396 ( 4.141 -9.150 -14.814) 17.897 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 8.311 1.543) 8.453 1.454 ( -0.000 8.249 -6.375) 10.425 1.811 ( 0.000 -3.540 2.793) 4.509 1.872 ( 0.000 -6.396 -3.837) 7.459 2.104 ( 0.000 1.998 7.353) 7.619 2.218 ( -0.000 10.075 4.047) 10.857 2.241 ( 0.000 1.906 -6.591) 6.861 2.299 ( -0.000 9.486 -4.409) 10.460 2.758 ( -0.000 -0.237 3.908) 3.916 2.765 ( 0.000 2.446 8.373) 8.723 2.782 ( 0.000 18.148 9.350) 20.415 2.829 ( 0.000 -3.593 -3.800) 5.230 3.106 ( 0.000 -13.423 -4.970) 14.314 3.187 ( 0.000 -1.860 -10.801) 10.960 3.330 ( 0.000 4.440 13.237) 13.962 3.494 ( 0.000 5.928 -2.729) 6.526 3.682 ( -0.000 -5.600 4.221) 7.013 3.688 ( 0.000 2.795 4.310) 5.137 3.757 ( 0.000 -1.849 -4.234) 4.620 3.768 ( -0.000 -3.016 -4.614) 5.512 3.890 ( 0.000 -3.394 -1.505) 3.713 3.968 ( 0.000 4.946 -8.840) 10.129 4.098 ( 0.000 -0.898 9.593) 9.635 4.250 ( 0.000 -0.277 -6.616) 6.622 4.485 ( -0.000 4.714 8.435) 9.663 4.560 ( 0.000 -3.098 5.574) 6.377 4.605 ( -0.000 4.665 -4.018) 6.157 4.633 ( 0.000 -2.222 -1.941) 2.950 4.748 ( -0.000 -0.243 1.131) 1.157 4.793 ( 0.000 0.165 -3.624) 3.628 4.999 ( 0.000 -3.663 4.837) 6.067 5.060 ( 0.000 -3.692 -1.998) 4.198 5.379 ( 0.000 7.224 9.971) 12.313 5.560 ( -0.000 5.832 -9.143) 10.844 5.723 ( 0.000 3.391 -1.711) 3.798 5.735 ( 0.000 1.485 -2.513) 2.919 6.690 ( 0.000 2.703 6.025) 6.603 6.817 ( 0.000 2.180 -7.126) 7.452 6.859 ( -0.000 -1.961 6.934) 7.206 6.994 ( 0.000 -2.662 -7.420) 7.883 7.345 ( -0.000 6.809 6.850) 9.659 7.484 ( 0.000 5.393 -7.810) 9.491 7.551 ( 0.000 -3.396 2.397) 4.156 7.586 ( 0.000 -2.846 -1.474) 3.205 7.731 ( 0.000 -2.146 0.932) 2.340 7.745 ( 0.000 -2.369 -0.416) 2.405 7.811 ( -0.000 -1.877 2.060) 2.787 7.842 ( 0.000 -1.545 -1.286) 2.010 8.427 ( 0.000 -2.939 5.969) 6.653 8.540 ( 0.000 -5.221 -5.933) 7.903 8.739 ( 0.000 -11.838 4.740) 12.752 8.828 ( 0.000 -11.881 -4.695) 12.775 9.035 ( 0.000 15.338 4.953) 16.118 9.128 ( 0.000 13.305 -5.059) 14.235 9.510 ( 0.000 6.568 8.742) 10.934 9.667 ( 0.000 4.967 -7.603) 9.081 10.002 ( 0.000 -3.151 10.999) 11.442 10.220 ( -0.000 -3.099 -11.744) 12.146 10.348 ( 0.000 -8.216 1.138) 8.295 10.394 ( 0.000 -9.735 -3.690) 10.411 10.447 ( 0.000 1.348 6.840) 6.972 10.573 ( 0.000 0.463 -6.519) 6.535 10.761 ( 0.000 -14.349 4.213) 14.954 10.826 ( 0.000 -17.952 -2.672) 18.149 12.164 ( 0.000 8.722 4.557) 9.841 12.248 ( 0.000 9.520 -4.305) 10.448 12.768 ( 0.000 -8.137 9.570) 12.562 12.949 ( 0.000 -10.142 -9.510) 13.903 13.431 ( 0.000 16.989 11.464) 20.495 13.662 ( 0.000 16.771 -13.015) 21.229 14.217 ( 0.000 -8.085 10.828) 13.514 14.446 ( -0.000 -8.279 -13.512) 15.847 15.433 ( 0.000 6.211 9.954) 11.733 15.609 ( 0.000 10.371 -8.667) 13.516 15.786 ( 0.000 -0.751 16.482) 16.499 16.071 ( 0.000 0.327 -13.492) 13.496 16.537 ( 0.000 -0.284 9.725) 9.729 16.715 ( 0.000 -2.002 -8.869) 9.092 16.772 ( 0.000 -5.736 5.276) 7.793 16.871 ( 0.000 -4.719 -5.054) 6.914 24.373 ( -0.000 0.957 3.835) 3.952 24.456 ( -0.000 0.815 -4.985) 5.051 24.508 ( 0.000 -2.440 3.544) 4.303 24.574 ( -0.000 -2.114 -3.443) 4.040 24.936 ( 0.000 5.010 11.100) 12.178 25.092 ( 0.000 -0.259 8.443) 8.447 25.143 ( 0.000 4.876 -10.638) 11.702 25.240 ( -0.000 0.754 -7.240) 7.279 26.834 ( 0.000 0.965 4.680) 4.779 26.930 ( 0.000 0.872 -5.608) 5.675 27.035 ( -0.000 -5.074 4.144) 6.551 27.113 ( 0.000 -4.361 -4.116) 5.997 27.697 ( 0.000 7.415 7.530) 10.568 27.826 ( 0.000 7.747 -6.154) 9.893 28.164 ( 0.000 -5.045 13.860) 14.749 28.438 ( 0.000 -9.826 -14.935) 17.878 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 1.492 8.224) 8.358 1.642 ( 0.000 -2.070 3.622) 4.172 1.740 ( 0.000 1.203 -6.255) 6.369 1.777 ( 0.000 -2.676 -10.188) 10.533 2.011 ( 0.000 19.045 10.647) 21.819 2.247 ( 0.000 15.997 -13.828) 21.146 2.284 ( 0.000 1.776 5.393) 5.678 2.376 ( 0.000 11.093 -4.307) 11.900 2.604 ( 0.000 -0.912 0.641) 1.115 2.695 ( 0.000 -7.416 -8.565) 11.329 2.760 ( 0.000 -7.716 0.857) 7.764 2.797 ( 0.000 -8.360 -3.296) 8.987 2.969 ( 0.000 4.966 2.932) 5.767 3.018 ( 0.000 5.021 -1.553) 5.256 3.095 ( 0.000 -9.007 2.100) 9.248 3.134 ( 0.000 -7.106 -1.623) 7.289 3.421 ( 0.000 2.602 10.626) 10.940 3.460 ( 0.000 -2.614 11.720) 12.008 3.539 ( 0.000 11.736 -0.127) 11.737 3.633 ( 0.000 -0.998 -6.038) 6.120 3.777 ( 0.000 2.257 2.930) 3.699 3.868 ( 0.000 -3.224 3.482) 4.745 3.892 ( 0.000 5.874 -7.837) 9.794 3.950 ( 0.000 -0.249 -4.712) 4.718 4.137 ( 0.000 4.203 7.922) 8.968 4.253 ( 0.000 -4.596 9.922) 10.935 4.271 ( 0.000 4.315 -3.994) 5.880 4.390 ( 0.000 -7.805 0.926) 7.860 4.417 ( 0.000 3.316 13.737) 14.132 4.536 ( 0.000 -7.033 0.903) 7.090 4.671 ( 0.000 -0.330 -8.905) 8.911 4.673 ( 0.000 0.218 -10.805) 10.807 4.916 ( 0.000 5.400 3.285) 6.321 5.004 ( 0.000 4.714 -5.892) 7.546 5.029 ( 0.000 -5.122 4.181) 6.612 5.094 ( 0.000 -3.411 -2.172) 4.044 7.071 ( 0.000 3.461 8.207) 8.907 7.123 ( 0.000 -0.618 12.356) 12.372 7.203 ( 0.000 5.886 -5.219) 7.867 7.307 ( 0.000 -2.730 -6.019) 6.610 7.327 ( 0.000 3.893 7.040) 8.045 7.442 ( 0.000 -8.038 5.149) 9.546 7.494 ( 0.000 3.808 -10.442) 11.115 7.579 ( 0.000 -5.079 -9.520) 10.790 7.910 ( 0.000 1.817 2.302) 2.932 7.949 ( 0.000 -1.721 4.423) 4.746 7.957 ( 0.000 4.153 -2.973) 5.107 8.049 ( 0.000 -4.425 -6.758) 8.078 8.458 ( 0.000 3.367 3.157) 4.615 8.517 ( 0.000 3.537 -3.018) 4.650 8.571 ( 0.000 -7.990 4.099) 8.980 8.642 ( 0.000 -9.275 -3.353) 9.863 9.357 ( 0.000 10.230 -0.009) 10.230 9.370 ( 0.000 9.663 -1.495) 9.778 9.437 ( 0.000 0.525 2.391) 2.448 9.495 ( 0.000 -2.193 -4.185) 4.725 9.831 ( 0.000 6.774 12.974) 14.636 10.084 ( 0.000 5.867 -13.633) 14.842 10.097 ( 0.000 -17.375 9.661) 19.880 10.287 ( 0.000 -13.407 -10.287) 16.899 10.828 ( 0.000 2.392 3.628) 4.345 10.873 ( 0.000 3.455 -1.391) 3.725 10.898 ( 0.000 -4.263 5.292) 6.795 10.974 ( 0.000 -6.038 -2.957) 6.723 12.604 ( 0.000 8.574 11.883) 14.653 12.768 ( 0.000 -7.042 8.760) 11.240 12.837 ( 0.000 5.563 -12.824) 13.979 12.939 ( 0.000 -4.231 -9.328) 10.243 14.221 ( 0.000 13.565 11.187) 17.582 14.433 ( 0.000 14.060 -11.536) 18.187 14.478 ( 0.000 -11.820 10.712) 15.952 14.688 ( 0.000 -11.136 -11.548) 16.043 15.261 ( 0.000 2.394 7.310) 7.692 15.323 ( 0.000 -4.189 10.456) 11.264 15.399 ( 0.000 4.816 -7.231) 8.688 15.506 ( 0.000 -5.909 -9.103) 10.852 16.325 ( 0.000 5.064 8.322) 9.742 16.428 ( 0.000 -4.838 10.439) 11.506 16.476 ( 0.000 7.153 -7.581) 10.423 16.612 ( 0.000 -6.051 -9.046) 10.883 24.404 ( 0.000 1.777 3.095) 3.569 24.447 ( 0.000 -2.395 2.234) 3.275 24.465 ( 0.000 0.905 -3.442) 3.559 24.491 ( 0.000 -1.552 -2.496) 2.939 25.196 ( 0.000 0.992 14.835) 14.868 25.200 ( 0.000 0.922 17.528) 17.553 25.478 ( 0.000 3.670 -14.995) 15.437 25.534 ( 0.000 -1.347 -18.124) 18.174 27.053 ( 0.000 -0.445 4.152) 4.176 27.069 ( 0.000 -1.872 4.931) 5.274 27.128 ( 0.000 0.363 -3.846) 3.863 27.158 ( 0.000 -2.383 -4.568) 5.152 27.751 ( 0.000 3.587 8.508) 9.233 27.804 ( 0.000 -2.108 12.676) 12.850 27.905 ( 0.000 6.717 -7.775) 10.274 28.029 ( 0.000 -5.803 -11.206) 12.619 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.094 3.644 5.857) 6.899 1.664 ( 1.759 -2.497 2.576) 3.996 1.734 ( -3.344 0.620 -7.752) 8.466 1.749 ( 0.483 -0.944 -5.559) 5.659 2.113 ( 6.874 17.141 9.028) 20.557 2.302 ( 3.191 12.807 -9.690) 16.374 2.361 ( 5.532 4.945 2.175) 7.732 2.405 ( 1.943 10.972 -2.011) 11.323 2.586 ( -2.024 -2.914 1.021) 3.692 2.658 ( -3.546 -6.454 -5.336) 9.094 2.751 ( 0.449 -9.133 -1.194) 9.222 2.771 ( -1.634 -10.298 -3.593) 11.029 3.014 ( 4.161 7.370 4.219) 9.457 3.070 ( 6.320 4.589 -1.646) 7.982 3.186 ( 8.168 -7.907 0.980) 11.411 3.212 ( 7.574 -8.228 -0.962) 11.224 3.493 ( 6.618 1.540 9.716) 11.856 3.529 ( 4.554 -0.928 9.157) 10.269 3.612 ( 5.363 6.623 -0.172) 8.524 3.656 ( 2.946 -0.386 -5.363) 6.131 3.792 ( 1.017 5.807 4.243) 7.263 3.903 ( 0.751 4.392 -4.747) 6.510 3.926 ( 4.910 -2.491 0.343) 5.517 3.978 ( 2.949 -1.037 -3.697) 4.841 4.201 ( 6.274 5.234 7.157) 10.862 4.327 ( 5.416 4.745 -2.681) 7.684 4.340 ( 8.093 -5.897 8.174) 12.926 4.438 ( 3.934 3.278 9.105) 10.446 4.465 ( 6.148 -6.154 1.823) 8.888 4.576 ( 3.829 -6.125 -0.176) 7.226 4.649 ( -0.747 1.679 -8.329) 8.529 4.691 ( 1.044 -1.190 -7.881) 8.039 4.947 ( 3.172 5.525 2.005) 6.679 5.000 ( 1.143 3.567 -2.212) 4.350 5.066 ( 3.237 -4.275 0.783) 5.419 5.101 ( 1.081 -3.989 -1.500) 4.397 7.018 ( -5.479 2.150 9.230) 10.947 7.028 ( -5.491 1.183 9.013) 10.620 7.164 ( -3.727 3.047 -6.173) 7.829 7.212 ( -7.482 -0.538 -8.178) 11.097 7.392 ( 4.127 3.558 7.212) 9.039 7.471 ( 2.810 -3.723 4.220) 6.290 7.550 ( 2.853 0.138 -6.859) 7.430 7.598 ( 1.151 -3.978 -7.348) 8.434 7.874 ( -3.052 1.820 1.884) 4.022 7.902 ( -3.401 1.317 1.236) 3.851 7.929 ( -2.889 1.186 -0.810) 3.226 7.989 ( -4.353 -2.117 -4.950) 6.923 8.470 ( 0.914 2.561 4.071) 4.895 8.543 ( 1.753 0.265 -2.790) 3.306 8.591 ( 1.437 -8.313 2.280) 8.739 8.650 ( 0.541 -9.203 -3.115) 9.730 9.378 ( 1.666 11.997 0.748) 12.136 9.404 ( 2.664 10.991 -2.173) 11.516 9.476 ( 3.380 1.248 2.894) 4.621 9.540 ( 3.874 -1.978 -4.182) 6.034 9.841 ( 0.960 4.743 12.634) 13.529 10.074 ( -0.693 -3.531 -3.711) 5.169 10.102 ( 0.253 -9.790 0.164) 9.795 10.278 ( -0.937 -14.039 -10.225) 17.393 10.777 ( -4.610 2.052 3.764) 6.295 10.811 ( -5.341 1.586 1.642) 5.808 10.856 ( -4.161 -2.283 1.898) 5.112 10.919 ( -5.116 -5.436 -3.243) 8.139 12.567 ( -3.421 9.271 10.573) 14.472 12.733 ( -3.463 -3.209 4.561) 6.565 12.784 ( -4.545 2.692 -7.176) 8.911 12.910 ( -2.820 -6.074 -8.925) 11.158 14.091 ( -9.887 14.188 10.795) 20.385 14.300 ( -9.658 12.827 -10.016) 18.924 14.364 ( -9.344 -10.619 8.628) 16.568 14.573 ( -9.252 -12.033 -12.133) 19.432 15.377 ( 9.786 2.957 10.063) 14.345 15.425 ( 7.489 -1.484 11.205) 13.558 15.570 ( 13.379 2.455 -8.509) 16.045 15.645 ( 9.830 -4.326 -10.326) 14.899 16.361 ( 3.568 3.564 7.686) 9.193 16.441 ( 1.295 -4.002 9.859) 10.719 16.500 ( 2.687 5.645 -6.891) 9.304 16.618 ( 0.649 -5.604 -8.742) 10.404 24.404 ( 0.015 1.780 3.202) 3.664 24.447 ( 0.018 -2.384 2.403) 3.385 24.467 ( 0.222 1.003 -3.566) 3.711 24.495 ( 0.397 -1.633 -2.753) 3.226 25.170 ( -2.563 1.692 15.790) 16.086 25.181 ( -1.615 0.417 14.521) 14.616 25.443 ( -3.408 2.988 -14.007) 14.722 25.481 ( -4.668 -0.328 -16.315) 16.973 27.009 ( -3.401 1.021 4.339) 5.606 27.044 ( -2.498 -1.996 4.136) 5.228 27.097 ( -2.573 0.115 -3.725) 4.529 27.137 ( -2.054 -3.407 -4.447) 5.966 27.785 ( 2.403 3.460 9.023) 9.958 27.834 ( 3.208 -0.759 10.817) 11.309 27.953 ( 3.435 4.177 -7.325) 9.105 28.055 ( 2.617 -5.246 -10.846) 12.329 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.069 5.952 0.958) 6.029 1.649 ( -3.908 5.980 -4.058) 8.216 1.706 ( 1.471 -4.022 1.063) 4.413 1.755 ( -0.247 -4.618 -3.949) 6.081 2.204 ( 1.961 13.205 6.531) 14.862 2.330 ( -0.033 8.681 -5.776) 10.427 2.413 ( -0.911 2.722 1.373) 3.181 2.451 ( 1.552 6.946 -2.012) 7.396 2.543 ( -0.086 0.341 2.813) 2.835 2.620 ( 0.925 -2.509 -4.689) 5.398 2.762 ( 0.533 -9.733 -0.655) 9.769 2.782 ( 1.637 -13.690 -2.897) 14.088 3.100 ( 3.738 12.489 8.339) 15.475 3.226 ( 6.932 8.515 -5.052) 12.087 3.363 ( 7.456 -10.798 3.582) 13.602 3.400 ( 8.354 -7.447 -0.092) 11.191 3.563 ( -0.934 3.602 7.485) 8.359 3.629 ( 3.008 -2.387 3.922) 5.489 3.681 ( 1.998 -0.449 -1.355) 2.455 3.690 ( 0.612 -1.329 -1.038) 1.794 3.906 ( 0.710 6.394 0.538) 6.456 3.934 ( 9.984 5.961 -1.262) 11.697 4.032 ( 2.364 -2.147 -1.905) 3.718 4.057 ( 6.664 -2.918 -3.043) 7.886 4.347 ( 6.548 8.407 8.963) 13.925 4.476 ( 6.787 4.227 -1.870) 8.211 4.526 ( 8.102 -5.743 4.748) 11.008 4.582 ( 7.766 2.241 1.730) 8.266 4.623 ( 7.665 -3.788 0.830) 8.590 4.656 ( 3.366 4.452 -3.397) 6.533 4.708 ( 7.511 -3.433 -2.437) 8.610 4.749 ( 6.171 -3.932 -3.400) 8.069 5.060 ( 8.661 6.855 3.092) 11.470 5.111 ( 10.945 3.138 -2.287) 11.613 5.191 ( 9.957 -5.060 0.549) 11.182 5.209 ( 12.444 -4.530 -1.342) 13.311 6.885 ( -5.939 3.715 8.371) 10.915 6.934 ( -4.444 -1.122 6.624) 8.056 7.052 ( -7.439 2.057 -8.324) 11.351 7.072 ( -4.882 -0.281 -7.094) 8.616 7.452 ( 1.377 3.669 5.882) 7.068 7.510 ( 0.501 -2.088 3.205) 3.858 7.576 ( -0.349 -0.621 -4.560) 4.615 7.599 ( -1.286 -2.727 -4.212) 5.179 7.806 ( -3.199 1.960 1.422) 4.012 7.835 ( -2.996 3.344 -1.079) 4.618 7.865 ( -2.534 -0.607 1.140) 2.844 7.920 ( -2.451 -1.405 -3.865) 4.788 8.478 ( -0.565 1.441 5.077) 5.308 8.556 ( -0.690 -3.421 -0.423) 3.515 8.603 ( -0.917 -6.991 -0.985) 7.119 8.650 ( -0.707 -8.444 -3.416) 9.136 9.408 ( 1.049 16.312 1.807) 16.446 9.451 ( 1.599 14.596 -2.905) 14.968 9.554 ( 3.822 2.447 4.120) 6.129 9.630 ( 4.435 -1.801 -4.158) 6.341 9.866 ( 1.271 -0.362 12.126) 12.197 10.054 ( -1.416 -14.524 5.499) 15.594 10.106 ( 0.215 -3.521 -8.737) 9.423 10.243 ( -2.494 -14.167 -10.038) 17.541 10.664 ( -5.744 0.348 4.059) 7.042 10.677 ( -7.004 0.318 4.141) 8.143 10.747 ( -5.640 -1.079 -1.523) 5.941 10.784 ( -7.384 -3.614 -3.828) 9.068 12.481 ( -4.483 10.260 8.098) 13.818 12.629 ( -6.027 8.567 -5.818) 11.982 12.688 ( -4.360 -7.507 5.501) 10.277 12.833 ( -4.249 -9.097 -8.159) 12.937 13.902 ( -7.669 14.483 10.938) 19.703 14.123 ( -6.993 12.518 -10.889) 18.004 14.173 ( -8.068 -10.176 8.556) 15.552 14.390 ( -7.514 -11.709 -12.827) 18.923 15.546 ( 3.591 2.913 13.555) 14.322 15.576 ( 8.068 0.443 13.264) 15.532 15.797 ( 4.691 2.213 -11.270) 12.406 15.833 ( 10.137 -1.226 -12.256) 15.952 16.463 ( 5.132 0.138 7.873) 9.398 16.488 ( 4.098 -2.047 7.677) 8.940 16.594 ( 6.142 0.875 -6.021) 8.645 16.642 ( 1.779 -3.529 -7.851) 8.790 24.404 ( 0.013 1.841 3.449) 3.910 24.449 ( 0.122 -2.427 2.871) 3.761 24.473 ( 0.333 1.292 -3.912) 4.133 24.507 ( 0.679 -1.905 -3.323) 3.890 25.106 ( -3.290 2.799 13.421) 14.099 25.138 ( -2.324 -0.556 12.385) 12.613 25.346 ( -5.398 2.909 -11.927) 13.411 25.376 ( -4.973 -0.092 -12.761) 13.696 26.937 ( -3.208 1.971 4.527) 5.888 26.988 ( -2.530 -2.022 3.440) 4.725 27.036 ( -3.078 -0.102 -3.686) 4.804 27.086 ( -2.613 -4.014 -4.639) 6.668 27.828 ( 1.787 5.731 9.103) 10.904 27.921 ( 4.444 -1.423 8.287) 9.511 28.005 ( 1.491 3.595 -6.083) 7.222 28.132 ( 4.216 -7.022 -10.392) 13.232 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.118 8.148 -0.594) 8.440 1.604 ( -0.239 6.761 -3.674) 7.698 1.723 ( 0.144 -5.227 -0.982) 5.320 1.737 ( -1.235 -7.148 -2.344) 7.624 2.222 ( 0.417 9.782 6.066) 11.518 2.331 ( 0.557 6.838 -3.521) 7.712 2.384 ( -1.481 1.381 1.351) 2.435 2.447 ( -0.550 2.175 -3.682) 4.312 2.599 ( 4.131 2.674 3.894) 6.275 2.679 ( 3.827 -2.452 -4.078) 6.106 2.757 ( -1.341 -7.582 0.554) 7.720 2.800 ( -0.095 -13.006 -4.204) 13.668 3.165 ( 2.616 16.498 11.221) 20.123 3.329 ( 3.291 10.287 -5.628) 12.179 3.456 ( -1.956 -2.143 12.968) 13.288 3.482 ( 3.098 -7.710 3.186) 8.899 3.550 ( 1.672 -0.446 -0.801) 1.907 3.621 ( -1.826 -5.784 3.088) 6.806 3.696 ( -0.072 -0.947 -8.856) 8.907 3.718 ( 0.567 -1.904 -5.122) 5.494 3.925 ( 0.881 6.249 6.360) 8.960 4.037 ( 0.780 -4.230 7.276) 8.452 4.089 ( 3.116 5.645 -8.938) 11.021 4.181 ( 3.900 -3.334 -6.818) 8.533 4.460 ( 4.434 6.317 8.195) 11.257 4.546 ( 1.128 0.785 2.999) 3.299 4.615 ( 1.119 -1.556 -1.334) 2.336 4.663 ( 0.696 -3.280 -2.792) 4.363 4.730 ( 3.759 4.852 1.459) 6.308 4.774 ( 5.681 4.780 -3.031) 8.019 4.845 ( 4.704 -5.799 2.634) 7.917 4.896 ( 5.325 -6.417 -2.861) 8.816 5.339 ( 16.502 8.967 6.882) 20.002 5.445 ( 18.748 6.383 -4.362) 20.280 5.499 ( 16.348 -5.907 3.116) 17.660 5.556 ( 17.529 -3.623 -3.040) 18.156 6.788 ( -3.318 3.731 6.017) 7.819 6.851 ( -3.402 -2.206 5.499) 6.832 6.923 ( -4.846 2.763 -7.444) 9.302 6.977 ( -3.964 -2.482 -7.257) 8.634 7.457 ( -0.365 3.153 4.706) 5.676 7.500 ( -0.891 -1.831 2.565) 3.275 7.552 ( -1.426 -0.797 -3.785) 4.123 7.559 ( -1.973 -1.852 -2.628) 3.773 7.748 ( -2.407 2.289 1.355) 3.587 7.775 ( -2.850 4.300 -1.440) 5.357 7.816 ( -2.779 -2.143 1.867) 3.975 7.862 ( -3.538 -2.195 -2.817) 5.027 8.445 ( -2.204 1.475 4.796) 5.480 8.526 ( -1.909 -1.895 -1.544) 3.101 8.555 ( -2.820 -6.602 1.163) 7.273 8.626 ( -1.340 -8.436 -4.231) 9.532 9.421 ( 0.345 19.958 2.338) 20.097 9.470 ( 0.488 17.779 -3.055) 18.046 9.617 ( 2.068 3.711 5.401) 6.871 9.704 ( 2.521 -1.841 -4.100) 5.153 9.886 ( 0.596 -4.869 11.832) 12.809 10.020 ( -1.532 -19.288 7.062) 20.598 10.110 ( 0.203 -3.844 -11.172) 11.816 10.185 ( -2.797 -12.325 -9.660) 15.908 10.540 ( -4.936 1.506 5.528) 7.562 10.584 ( -2.419 -3.238 3.293) 5.214 10.646 ( -4.677 -1.164 -4.083) 6.316 10.657 ( -3.530 -2.100 -3.071) 5.129 12.400 ( -3.008 10.677 6.229) 12.722 12.519 ( -4.063 11.653 -6.183) 13.803 12.612 ( -2.800 -9.749 7.263) 12.475 12.755 ( -2.990 -11.182 -7.695) 13.899 13.788 ( -3.492 14.518 11.088) 18.599 14.016 ( -3.476 14.044 -12.943) 19.412 14.053 ( -3.589 -11.356 10.548) 15.909 14.278 ( -3.419 -11.501 -13.189) 17.830 15.580 ( 0.334 6.555 14.200) 15.644 15.690 ( 3.277 -3.348 15.505) 16.197 15.837 ( 0.149 8.263 -12.052) 14.613 15.978 ( 4.063 -4.655 -14.036) 15.335 16.534 ( 2.566 1.885 8.300) 8.890 16.601 ( 4.845 -4.393 6.427) 9.170 16.683 ( 2.054 -0.060 -7.265) 7.550 16.720 ( 4.946 -3.259 -5.863) 8.334 24.404 ( 0.011 1.989 3.698) 4.199 24.452 ( 0.171 -2.588 3.427) 4.298 24.480 ( 0.268 1.648 -4.337) 4.647 24.520 ( 0.569 -2.255 -3.831) 4.482 25.048 ( -2.129 3.391 11.376) 12.060 25.094 ( -1.724 -1.310 10.406) 10.629 25.252 ( -3.258 2.929 -10.183) 11.086 25.286 ( -3.533 -0.474 -9.936) 10.556 26.885 ( -1.776 2.315 4.649) 5.489 26.948 ( -1.259 -3.209 3.790) 5.123 26.981 ( -1.999 1.075 -4.373) 4.926 27.041 ( -1.580 -4.044 -4.788) 6.463 27.857 ( 0.984 8.005 8.332) 11.597 27.993 ( 2.250 2.414 1.476) 3.615 28.025 ( 0.761 0.079 0.955) 1.223 28.203 ( 2.411 -9.720 -10.235) 14.319 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 8.554 0.283) 8.559 1.603 ( 0.000 6.476 -5.198) 8.304 1.720 ( 0.000 -6.178 -1.553) 6.370 1.723 ( 0.000 -6.994 -1.830) 7.229 2.228 ( 0.000 8.889 6.203) 10.840 2.348 ( -0.000 7.878 -6.428) 10.168 2.360 ( 0.000 0.530 4.663) 4.693 2.441 ( 0.000 2.141 -4.140) 4.660 2.666 ( -0.000 -2.698 5.401) 6.037 2.721 ( 0.000 -3.139 0.006) 3.139 2.737 ( 0.000 -4.618 -1.698) 4.920 2.787 ( 0.000 -11.147 -7.278) 13.312 3.197 ( -0.000 18.459 11.739) 21.875 3.364 ( 0.000 10.902 -5.290) 12.118 3.414 ( 0.000 3.295 14.067) 14.448 3.526 ( 0.000 -9.919 6.464) 11.839 3.576 ( -0.000 -4.181 4.406) 6.074 3.585 ( 0.000 -3.289 -4.449) 5.532 3.703 ( 0.000 -3.288 -11.135) 11.611 3.712 ( -0.000 -2.500 -8.750) 9.100 3.932 ( 0.000 6.507 8.268) 10.522 4.048 ( -0.000 -4.135 9.931) 10.757 4.115 ( 0.000 6.973 -9.683) 11.933 4.217 ( 0.000 -3.108 -7.721) 8.323 4.528 ( 0.000 -0.167 6.558) 6.561 4.535 ( -0.000 0.077 7.846) 7.847 4.625 ( 0.000 1.191 -3.806) 3.988 4.655 ( -0.000 -0.512 -4.821) 4.848 4.775 ( 0.000 4.275 2.685) 5.048 4.835 ( 0.000 4.288 -3.642) 5.626 4.893 ( 0.000 -6.260 3.305) 7.079 4.949 ( 0.000 -6.341 -2.803) 6.933 5.548 ( 0.000 8.651 8.402) 12.060 5.685 ( -0.000 5.674 -6.142) 8.362 5.694 ( 0.000 -5.057 4.210) 6.580 5.758 ( 0.000 -0.990 -2.907) 3.071 6.754 ( 0.000 3.179 4.652) 5.635 6.811 ( 0.000 -2.552 5.234) 5.823 6.869 ( 0.000 2.800 -7.165) 7.693 6.931 ( 0.000 -3.304 -7.379) 8.085 7.452 ( -0.000 2.800 4.527) 5.323 7.490 ( 0.000 -2.208 2.719) 3.503 7.535 ( 0.000 -0.409 -4.196) 4.216 7.536 ( 0.000 -1.417 -2.240) 2.651 7.720 ( 0.000 1.584 1.206) 1.991 7.744 ( 0.000 3.217 -1.492) 3.547 7.772 ( -0.000 -2.370 2.027) 3.118 7.807 ( 0.000 -2.250 -1.751) 2.851 8.417 ( 0.000 2.284 4.336) 4.900 8.498 ( 0.000 1.794 -4.149) 4.520 8.526 ( 0.000 -8.409 4.422) 9.500 8.610 ( 0.000 -8.843 -4.428) 9.889 9.425 ( 0.000 21.239 2.446) 21.379 9.475 ( 0.000 18.769 -3.062) 19.017 9.637 ( 0.000 4.336 6.048) 7.442 9.730 ( 0.000 -1.945 -4.093) 4.532 9.892 ( 0.000 -6.037 11.784) 13.240 10.003 ( 0.000 -20.414 6.094) 21.305 10.117 ( -0.000 -5.235 -11.660) 12.781 10.147 ( 0.000 -11.323 -8.750) 14.310 10.488 ( 0.000 2.523 5.679) 6.215 10.564 ( 0.000 -6.091 3.630) 7.091 10.591 ( 0.000 1.045 -5.338) 5.439 10.623 ( 0.000 -2.893 -2.815) 4.036 12.368 ( 0.000 10.745 5.567) 12.101 12.476 ( 0.000 12.162 -5.754) 13.454 12.582 ( 0.000 -10.073 7.266) 12.420 12.723 ( 0.000 -11.919 -7.556) 14.113 13.753 ( 0.000 14.596 11.059) 18.312 13.980 ( 0.000 14.442 -13.061) 19.472 14.018 ( 0.000 -11.511 10.828) 15.803 14.244 ( 0.000 -11.550 -13.236) 17.567 15.580 ( 0.000 7.771 14.235) 16.218 15.722 ( 0.000 -5.530 16.690) 17.582 15.834 ( 0.000 10.984 -12.675) 16.772 16.017 ( 0.000 -6.175 -14.591) 15.844 16.563 ( 0.000 3.020 8.100) 8.644 16.654 ( 0.000 -5.584 6.619) 8.660 16.707 ( 0.000 1.601 -7.126) 7.303 16.774 ( 0.000 -4.488 -5.996) 7.489 24.404 ( 0.000 2.076 3.810) 4.339 24.454 ( 0.000 -2.698 3.690) 4.571 24.483 ( 0.000 1.822 -4.542) 4.894 24.527 ( 0.000 -2.415 -4.032) 4.700 25.025 ( 0.000 3.508 10.662) 11.224 25.076 ( 0.000 -1.544 9.563) 9.687 25.219 ( 0.000 2.525 -9.891) 10.208 25.246 ( -0.000 -0.304 -8.550) 8.555 26.867 ( 0.000 2.433 4.668) 5.264 26.936 ( 0.000 -4.348 4.563) 6.304 26.960 ( 0.000 2.257 -5.237) 5.703 27.024 ( 0.000 -4.020 -4.803) 6.263 27.867 ( 0.000 8.835 7.954) 11.888 28.012 ( 0.000 10.240 -7.338) 12.598 28.036 ( 0.000 -7.520 9.950) 12.472 28.227 ( 0.000 -10.738 -10.137) 14.767 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 418.211 455.981 687.428 0.000 0.000 0.000 3/26880 20.0 74.512 101.833 100.165 0.000 0.000 0.000 3/26880 30.0 31.307 46.241 39.664 0.000 0.000 0.000 3/26880 40.0 18.481 28.218 22.892 0.000 0.000 0.000 3/26880 50.0 13.063 20.019 15.868 0.000 0.000 0.000 3/26880 60.0 10.189 15.469 12.143 0.000 0.000 0.000 3/26880 70.0 8.407 12.604 9.855 0.000 0.000 0.000 3/26880 80.0 7.183 10.644 8.309 0.000 0.000 0.000 3/26880 90.0 6.283 9.225 7.196 0.000 0.000 0.000 3/26880 100.0 5.591 8.153 6.357 0.000 0.000 0.000 3/26880 110.0 5.041 7.316 5.704 0.000 0.000 0.000 3/26880 120.0 4.593 6.645 5.180 0.000 0.000 0.000 3/26880 130.0 4.222 6.094 4.752 0.000 0.000 0.000 3/26880 140.0 3.908 5.633 4.395 0.000 0.000 0.000 3/26880 150.0 3.640 5.243 4.093 0.000 0.000 0.000 3/26880 160.0 3.409 4.906 3.833 0.000 0.000 0.000 3/26880 170.0 3.206 4.613 3.608 0.000 0.000 0.000 3/26880 180.0 3.027 4.355 3.410 0.000 0.000 0.000 3/26880 190.0 2.868 4.126 3.235 0.000 0.000 0.000 3/26880 200.0 2.726 3.922 3.079 0.000 0.000 0.000 3/26880 210.0 2.597 3.737 2.939 0.000 0.000 0.000 3/26880 220.0 2.481 3.570 2.812 0.000 0.000 0.000 3/26880 230.0 2.375 3.418 2.696 0.000 0.000 0.000 3/26880 240.0 2.278 3.279 2.591 0.000 0.000 0.000 3/26880 250.0 2.189 3.151 2.494 0.000 0.000 0.000 3/26880 260.0 2.107 3.033 2.404 0.000 0.000 0.000 3/26880 270.0 2.031 2.924 2.321 0.000 0.000 0.000 3/26880 280.0 1.960 2.823 2.244 0.000 0.000 0.000 3/26880 290.0 1.894 2.729 2.173 0.000 0.000 0.000 3/26880 300.0 1.833 2.641 2.106 0.000 0.000 0.000 3/26880 310.0 1.775 2.558 2.043 0.000 0.000 0.000 3/26880 320.0 1.721 2.481 1.984 0.000 0.000 0.000 3/26880 330.0 1.671 2.408 1.929 0.000 0.000 0.000 3/26880 340.0 1.623 2.339 1.877 0.000 0.000 0.000 3/26880 350.0 1.578 2.275 1.827 0.000 0.000 0.000 3/26880 360.0 1.536 2.214 1.781 0.000 0.000 0.000 3/26880 370.0 1.495 2.156 1.736 0.000 0.000 0.000 3/26880 380.0 1.457 2.101 1.694 0.000 0.000 0.000 3/26880 390.0 1.421 2.049 1.654 0.000 0.000 0.000 3/26880 400.0 1.386 1.999 1.616 0.000 0.000 0.000 3/26880 410.0 1.353 1.952 1.579 0.000 0.000 0.000 3/26880 420.0 1.322 1.907 1.545 0.000 0.000 0.000 3/26880 430.0 1.292 1.864 1.511 0.000 0.000 0.000 3/26880 440.0 1.264 1.823 1.480 0.000 0.000 0.000 3/26880 450.0 1.236 1.784 1.449 0.000 0.000 0.000 3/26880 460.0 1.210 1.746 1.420 0.000 0.000 0.000 3/26880 470.0 1.185 1.710 1.392 0.000 0.000 0.000 3/26880 480.0 1.161 1.675 1.365 0.000 0.000 0.000 3/26880 490.0 1.138 1.642 1.339 0.000 0.000 0.000 3/26880 500.0 1.116 1.610 1.314 0.000 0.000 0.000 3/26880 510.0 1.094 1.579 1.290 0.000 0.000 0.000 3/26880 520.0 1.074 1.550 1.267 0.000 0.000 0.000 3/26880 530.0 1.054 1.521 1.244 0.000 0.000 0.000 3/26880 540.0 1.035 1.494 1.223 0.000 0.000 0.000 3/26880 550.0 1.017 1.468 1.202 0.000 0.000 0.000 3/26880 560.0 0.999 1.442 1.182 0.000 0.000 0.000 3/26880 570.0 0.982 1.417 1.162 0.000 0.000 0.000 3/26880 580.0 0.965 1.394 1.143 0.000 0.000 0.000 3/26880 590.0 0.949 1.371 1.125 0.000 0.000 0.000 3/26880 600.0 0.934 1.348 1.107 0.000 0.000 0.000 3/26880 610.0 0.919 1.327 1.090 0.000 0.000 0.000 3/26880 620.0 0.904 1.306 1.073 0.000 0.000 0.000 3/26880 630.0 0.890 1.285 1.057 0.000 0.000 0.000 3/26880 640.0 0.877 1.266 1.042 0.000 0.000 0.000 3/26880 650.0 0.863 1.247 1.026 0.000 0.000 0.000 3/26880 660.0 0.851 1.228 1.012 0.000 0.000 0.000 3/26880 670.0 0.838 1.210 0.997 0.000 0.000 0.000 3/26880 680.0 0.826 1.193 0.983 0.000 0.000 0.000 3/26880 690.0 0.814 1.176 0.970 0.000 0.000 0.000 3/26880 700.0 0.803 1.160 0.957 0.000 0.000 0.000 3/26880 710.0 0.792 1.144 0.944 0.000 0.000 0.000 3/26880 720.0 0.781 1.128 0.931 0.000 0.000 0.000 3/26880 730.0 0.771 1.113 0.919 0.000 0.000 0.000 3/26880 740.0 0.760 1.098 0.907 0.000 0.000 0.000 3/26880 750.0 0.750 1.084 0.896 0.000 0.000 0.000 3/26880 760.0 0.741 1.070 0.884 0.000 0.000 0.000 3/26880 770.0 0.731 1.056 0.873 0.000 0.000 0.000 3/26880 780.0 0.722 1.043 0.863 0.000 0.000 0.000 3/26880 790.0 0.713 1.030 0.852 0.000 0.000 0.000 3/26880 800.0 0.704 1.017 0.842 0.000 0.000 0.000 3/26880 810.0 0.696 1.005 0.832 0.000 0.000 0.000 3/26880 820.0 0.687 0.993 0.822 0.000 0.000 0.000 3/26880 830.0 0.679 0.981 0.813 0.000 0.000 0.000 3/26880 840.0 0.671 0.970 0.803 0.000 0.000 0.000 3/26880 850.0 0.663 0.958 0.794 0.000 0.000 0.000 3/26880 860.0 0.656 0.947 0.785 0.000 0.000 0.000 3/26880 870.0 0.648 0.937 0.777 0.000 0.000 0.000 3/26880 880.0 0.641 0.926 0.768 0.000 0.000 0.000 3/26880 890.0 0.634 0.916 0.760 0.000 0.000 0.000 3/26880 900.0 0.627 0.906 0.752 0.000 0.000 0.000 3/26880 910.0 0.620 0.896 0.744 0.000 0.000 0.000 3/26880 920.0 0.614 0.887 0.736 0.000 0.000 0.000 3/26880 930.0 0.607 0.877 0.728 0.000 0.000 0.000 3/26880 940.0 0.601 0.868 0.721 0.000 0.000 0.000 3/26880 950.0 0.595 0.859 0.713 0.000 0.000 0.000 3/26880 960.0 0.588 0.850 0.706 0.000 0.000 0.000 3/26880 970.0 0.582 0.841 0.699 0.000 0.000 0.000 3/26880 980.0 0.577 0.833 0.692 0.000 0.000 0.000 3/26880 990.0 0.571 0.825 0.685 0.000 0.000 0.000 3/26880 1000.0 0.565 0.817 0.679 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|