----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:07:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.540232820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.509555960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): *1 Ti 0.99972935452007 0.35988816854918 0.08400080718546 47.867 *2 Ti 0.00000000000000 0.04211826589895 0.25000000000000 47.867 3 Ti 0.00027064547993 0.35988816854918 0.41599919281454 47.867 4 Ti 0.00000000000000 0.95788173410105 0.75000000000000 47.867 5 Ti 0.99972935452007 0.64011183145082 0.58400080718546 47.867 6 Ti 0.00027064547993 0.64011183145082 0.91599919281454 47.867 7 Ti 0.50027064547993 0.14011183145082 0.58400080718546 47.867 8 Ti 0.50000000000000 0.54211826589895 0.25000000000000 47.867 9 Ti 0.50000000000000 0.45788173410105 0.75000000000000 47.867 10 Ti 0.49972935452007 0.14011183145082 0.91599919281454 47.867 11 Ti 0.49972935452007 0.85988816854918 0.41599919281454 47.867 12 Ti 0.50027064547993 0.85988816854918 0.08400080718546 47.867 *13 O 0.20816217374971 0.63163801115896 0.02998796986265 15.999 14 O 0.20816217374971 0.36836198884104 0.52998796986265 15.999 *15 O 0.27460166542084 0.16275685282400 0.69559941832104 15.999 16 O 0.27460166542084 0.83724314717600 0.19559941832104 15.999 *17 O 0.21556240185915 0.09015158537012 0.36263534888796 15.999 18 O 0.21556240185915 0.90984841462988 0.86263534888796 15.999 19 O 0.28443759814085 0.59015158537012 0.36263534888796 15.999 20 O 0.28443759814085 0.40984841462988 0.86263534888796 15.999 21 O 0.22539833457916 0.33724314717600 0.19559941832104 15.999 22 O 0.22539833457916 0.66275685282400 0.69559941832104 15.999 23 O 0.29183782625029 0.86836198884104 0.52998796986265 15.999 24 O 0.29183782625029 0.13163801115896 0.02998796986265 15.999 25 O 0.70816217374971 0.13163801115896 0.47001203013735 15.999 26 O 0.70816217374971 0.86836198884104 0.97001203013735 15.999 27 O 0.77460166542084 0.33724314717600 0.30440058167896 15.999 28 O 0.77460166542084 0.66275685282400 0.80440058167896 15.999 29 O 0.71556240185915 0.59015158537012 0.13736465111204 15.999 30 O 0.71556240185915 0.40984841462988 0.63736465111204 15.999 31 O 0.78443759814085 0.09015158537012 0.13736465111204 15.999 32 O 0.78443759814085 0.90984841462988 0.63736465111204 15.999 33 O 0.72539833457916 0.16275685282400 0.80440058167896 15.999 34 O 0.72539833457916 0.83724314717600 0.30440058167896 15.999 35 O 0.79183782625029 0.36836198884104 0.97001203013735 15.999 36 O 0.79183782625029 0.63163801115896 0.47001203013735 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.540232820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.509555960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): *1 Ti 0.99972935452007 0.35988816854918 0.08400080718546 47.867 > 1 *2 Ti 0.00000000000000 0.04211826589895 0.25000000000000 47.867 > 2 3 Ti 0.00027064547993 0.35988816854918 0.41599919281454 47.867 > 3 4 Ti 0.00000000000000 0.95788173410105 0.75000000000000 47.867 > 4 5 Ti 0.99972935452007 0.64011183145082 0.58400080718546 47.867 > 5 6 Ti 0.00027064547993 0.64011183145082 0.91599919281454 47.867 > 6 7 Ti 0.50027064547993 0.14011183145082 0.58400080718546 47.867 > 7 8 Ti 0.50000000000000 0.54211826589895 0.25000000000000 47.867 > 8 9 Ti 0.50000000000000 0.45788173410105 0.75000000000000 47.867 > 9 10 Ti 0.49972935452007 0.14011183145082 0.91599919281454 47.867 > 10 11 Ti 0.49972935452007 0.85988816854918 0.41599919281454 47.867 > 11 12 Ti 0.50027064547993 0.85988816854918 0.08400080718546 47.867 > 12 *13 O 0.20816217374971 0.63163801115896 0.02998796986265 15.999 > 13 14 O 0.20816217374971 0.36836198884104 0.52998796986265 15.999 > 14 *15 O 0.27460166542084 0.16275685282400 0.69559941832104 15.999 > 15 16 O 0.27460166542084 0.83724314717600 0.19559941832104 15.999 > 16 *17 O 0.21556240185915 0.09015158537012 0.36263534888796 15.999 > 17 18 O 0.21556240185915 0.90984841462988 0.86263534888796 15.999 > 18 19 O 0.28443759814085 0.59015158537012 0.36263534888796 15.999 > 19 20 O 0.28443759814085 0.40984841462988 0.86263534888796 15.999 > 20 21 O 0.22539833457916 0.33724314717600 0.19559941832104 15.999 > 21 22 O 0.22539833457916 0.66275685282400 0.69559941832104 15.999 > 22 23 O 0.29183782625029 0.86836198884104 0.52998796986265 15.999 > 23 24 O 0.29183782625029 0.13163801115896 0.02998796986265 15.999 > 24 25 O 0.70816217374971 0.13163801115896 0.47001203013735 15.999 > 25 26 O 0.70816217374971 0.86836198884104 0.97001203013735 15.999 > 26 27 O 0.77460166542084 0.33724314717600 0.30440058167896 15.999 > 27 28 O 0.77460166542084 0.66275685282400 0.80440058167896 15.999 > 28 29 O 0.71556240185915 0.59015158537012 0.13736465111204 15.999 > 29 30 O 0.71556240185915 0.40984841462988 0.63736465111204 15.999 > 30 31 O 0.78443759814085 0.09015158537012 0.13736465111204 15.999 > 31 32 O 0.78443759814085 0.90984841462988 0.63736465111204 15.999 > 32 33 O 0.72539833457916 0.16275685282400 0.80440058167896 15.999 > 33 34 O 0.72539833457916 0.83724314717600 0.30440058167896 15.999 > 34 35 O 0.79183782625029 0.36836198884104 0.97001203013735 15.999 > 35 36 O 0.79183782625029 0.63163801115896 0.47001203013735 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.080465640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.019111920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): *1 Ti 0.49986467726004 0.17994408427459 0.08400080718546 47.867 > 1 2 Ti 0.99986467726004 0.17994408427459 0.08400080718546 47.867 > 1 3 Ti 0.49986467726004 0.67994408427459 0.08400080718546 47.867 > 1 4 Ti 0.99986467726004 0.67994408427459 0.08400080718546 47.867 > 1 *5 Ti 0.00000000000000 0.02105913294948 0.25000000000000 47.867 > 2 6 Ti 0.50000000000000 0.02105913294948 0.25000000000000 47.867 > 2 7 Ti 0.00000000000000 0.52105913294948 0.25000000000000 47.867 > 2 8 Ti 0.50000000000000 0.52105913294948 0.25000000000000 47.867 > 2 9 Ti 0.00013532273996 0.17994408427459 0.41599919281454 47.867 > 3 10 Ti 0.50013532273996 0.17994408427459 0.41599919281454 47.867 > 3 11 Ti 0.00013532273996 0.67994408427459 0.41599919281454 47.867 > 3 12 Ti 0.50013532273996 0.67994408427459 0.41599919281454 47.867 > 3 13 Ti 0.00000000000000 0.47894086705052 0.75000000000000 47.867 > 4 14 Ti 0.50000000000000 0.47894086705052 0.75000000000000 47.867 > 4 15 Ti 0.00000000000000 0.97894086705052 0.75000000000000 47.867 > 4 16 Ti 0.50000000000000 0.97894086705052 0.75000000000000 47.867 > 4 17 Ti 0.49986467726004 0.32005591572541 0.58400080718546 47.867 > 5 18 Ti 0.99986467726004 0.32005591572541 0.58400080718546 47.867 > 5 19 Ti 0.49986467726004 0.82005591572541 0.58400080718546 47.867 > 5 20 Ti 0.99986467726004 0.82005591572541 0.58400080718546 47.867 > 5 21 Ti 0.00013532273996 0.32005591572541 0.91599919281454 47.867 > 6 22 Ti 0.50013532273996 0.32005591572541 0.91599919281454 47.867 > 6 23 Ti 0.00013532273996 0.82005591572541 0.91599919281454 47.867 > 6 24 Ti 0.50013532273996 0.82005591572541 0.91599919281454 47.867 > 6 25 Ti 0.25013532273996 0.07005591572541 0.58400080718546 47.867 > 7 26 Ti 0.75013532273996 0.07005591572541 0.58400080718546 47.867 > 7 27 Ti 0.25013532273996 0.57005591572541 0.58400080718546 47.867 > 7 28 Ti 0.75013532273996 0.57005591572541 0.58400080718546 47.867 > 7 29 Ti 0.25000000000000 0.27105913294948 0.25000000000000 47.867 > 8 30 Ti 0.75000000000000 0.27105913294948 0.25000000000000 47.867 > 8 31 Ti 0.25000000000000 0.77105913294948 0.25000000000000 47.867 > 8 32 Ti 0.75000000000000 0.77105913294948 0.25000000000000 47.867 > 8 33 Ti 0.25000000000000 0.22894086705052 0.75000000000000 47.867 > 9 34 Ti 0.75000000000000 0.22894086705052 0.75000000000000 47.867 > 9 35 Ti 0.25000000000000 0.72894086705052 0.75000000000000 47.867 > 9 36 Ti 0.75000000000000 0.72894086705052 0.75000000000000 47.867 > 9 37 Ti 0.24986467726004 0.07005591572541 0.91599919281454 47.867 > 10 38 Ti 0.74986467726004 0.07005591572541 0.91599919281454 47.867 > 10 39 Ti 0.24986467726004 0.57005591572541 0.91599919281454 47.867 > 10 40 Ti 0.74986467726004 0.57005591572541 0.91599919281454 47.867 > 10 41 Ti 0.24986467726004 0.42994408427459 0.41599919281454 47.867 > 11 42 Ti 0.74986467726004 0.42994408427459 0.41599919281454 47.867 > 11 43 Ti 0.24986467726004 0.92994408427459 0.41599919281454 47.867 > 11 44 Ti 0.74986467726004 0.92994408427459 0.41599919281454 47.867 > 11 45 Ti 0.25013532273996 0.42994408427459 0.08400080718546 47.867 > 12 46 Ti 0.75013532273996 0.42994408427459 0.08400080718546 47.867 > 12 47 Ti 0.25013532273996 0.92994408427459 0.08400080718546 47.867 > 12 48 Ti 0.75013532273996 0.92994408427459 0.08400080718546 47.867 > 12 *49 O 0.10408108687485 0.31581900557948 0.02998796986265 15.999 > 13 50 O 0.60408108687485 0.31581900557948 0.02998796986265 15.999 > 13 51 O 0.10408108687485 0.81581900557948 0.02998796986265 15.999 > 13 52 O 0.60408108687485 0.81581900557948 0.02998796986265 15.999 > 13 53 O 0.10408108687485 0.18418099442052 0.52998796986265 15.999 > 14 54 O 0.60408108687485 0.18418099442052 0.52998796986265 15.999 > 14 55 O 0.10408108687485 0.68418099442052 0.52998796986265 15.999 > 14 56 O 0.60408108687485 0.68418099442052 0.52998796986265 15.999 > 14 *57 O 0.13730083271042 0.08137842641200 0.69559941832104 15.999 > 15 58 O 0.63730083271042 0.08137842641200 0.69559941832104 15.999 > 15 59 O 0.13730083271042 0.58137842641200 0.69559941832104 15.999 > 15 60 O 0.63730083271042 0.58137842641200 0.69559941832104 15.999 > 15 61 O 0.13730083271042 0.41862157358800 0.19559941832104 15.999 > 16 62 O 0.63730083271042 0.41862157358800 0.19559941832104 15.999 > 16 63 O 0.13730083271042 0.91862157358800 0.19559941832104 15.999 > 16 64 O 0.63730083271042 0.91862157358800 0.19559941832104 15.999 > 16 *65 O 0.10778120092958 0.04507579268506 0.36263534888796 15.999 > 17 66 O 0.60778120092958 0.04507579268506 0.36263534888796 15.999 > 17 67 O 0.10778120092958 0.54507579268506 0.36263534888796 15.999 > 17 68 O 0.60778120092958 0.54507579268506 0.36263534888796 15.999 > 17 69 O 0.10778120092958 0.45492420731494 0.86263534888796 15.999 > 18 70 O 0.60778120092958 0.45492420731494 0.86263534888796 15.999 > 18 71 O 0.10778120092958 0.95492420731494 0.86263534888796 15.999 > 18 72 O 0.60778120092958 0.95492420731494 0.86263534888796 15.999 > 18 73 O 0.14221879907042 0.29507579268506 0.36263534888796 15.999 > 19 74 O 0.64221879907042 0.29507579268506 0.36263534888796 15.999 > 19 75 O 0.14221879907042 0.79507579268506 0.36263534888796 15.999 > 19 76 O 0.64221879907042 0.79507579268506 0.36263534888796 15.999 > 19 77 O 0.14221879907042 0.20492420731494 0.86263534888796 15.999 > 20 78 O 0.64221879907042 0.20492420731494 0.86263534888796 15.999 > 20 79 O 0.14221879907042 0.70492420731494 0.86263534888796 15.999 > 20 80 O 0.64221879907042 0.70492420731494 0.86263534888796 15.999 > 20 81 O 0.11269916728958 0.16862157358800 0.19559941832104 15.999 > 21 82 O 0.61269916728958 0.16862157358800 0.19559941832104 15.999 > 21 83 O 0.11269916728958 0.66862157358800 0.19559941832104 15.999 > 21 84 O 0.61269916728958 0.66862157358800 0.19559941832104 15.999 > 21 85 O 0.11269916728958 0.33137842641200 0.69559941832104 15.999 > 22 86 O 0.61269916728958 0.33137842641200 0.69559941832104 15.999 > 22 87 O 0.11269916728958 0.83137842641200 0.69559941832104 15.999 > 22 88 O 0.61269916728958 0.83137842641200 0.69559941832104 15.999 > 22 89 O 0.14591891312515 0.43418099442052 0.52998796986265 15.999 > 23 90 O 0.64591891312515 0.43418099442052 0.52998796986265 15.999 > 23 91 O 0.14591891312515 0.93418099442052 0.52998796986265 15.999 > 23 92 O 0.64591891312515 0.93418099442052 0.52998796986265 15.999 > 23 93 O 0.14591891312515 0.06581900557948 0.02998796986265 15.999 > 24 94 O 0.64591891312515 0.06581900557948 0.02998796986265 15.999 > 24 95 O 0.14591891312515 0.56581900557948 0.02998796986265 15.999 > 24 96 O 0.64591891312515 0.56581900557948 0.02998796986265 15.999 > 24 97 O 0.35408108687485 0.06581900557948 0.47001203013735 15.999 > 25 98 O 0.85408108687485 0.06581900557948 0.47001203013735 15.999 > 25 99 O 0.35408108687485 0.56581900557948 0.47001203013735 15.999 > 25 100 O 0.85408108687485 0.56581900557948 0.47001203013735 15.999 > 25 101 O 0.35408108687485 0.43418099442052 0.97001203013735 15.999 > 26 102 O 0.85408108687485 0.43418099442052 0.97001203013735 15.999 > 26 103 O 0.35408108687485 0.93418099442052 0.97001203013735 15.999 > 26 104 O 0.85408108687485 0.93418099442052 0.97001203013735 15.999 > 26 105 O 0.38730083271042 0.16862157358800 0.30440058167896 15.999 > 27 106 O 0.88730083271042 0.16862157358800 0.30440058167896 15.999 > 27 107 O 0.38730083271042 0.66862157358800 0.30440058167896 15.999 > 27 108 O 0.88730083271042 0.66862157358800 0.30440058167896 15.999 > 27 109 O 0.38730083271042 0.33137842641200 0.80440058167896 15.999 > 28 110 O 0.88730083271042 0.33137842641200 0.80440058167896 15.999 > 28 111 O 0.38730083271042 0.83137842641200 0.80440058167896 15.999 > 28 112 O 0.88730083271042 0.83137842641200 0.80440058167896 15.999 > 28 113 O 0.35778120092958 0.29507579268506 0.13736465111204 15.999 > 29 114 O 0.85778120092958 0.29507579268506 0.13736465111204 15.999 > 29 115 O 0.35778120092958 0.79507579268506 0.13736465111204 15.999 > 29 116 O 0.85778120092958 0.79507579268506 0.13736465111204 15.999 > 29 117 O 0.35778120092958 0.20492420731494 0.63736465111204 15.999 > 30 118 O 0.85778120092958 0.20492420731494 0.63736465111204 15.999 > 30 119 O 0.35778120092958 0.70492420731494 0.63736465111204 15.999 > 30 120 O 0.85778120092958 0.70492420731494 0.63736465111204 15.999 > 30 121 O 0.39221879907042 0.04507579268506 0.13736465111204 15.999 > 31 122 O 0.89221879907042 0.04507579268506 0.13736465111204 15.999 > 31 123 O 0.39221879907042 0.54507579268506 0.13736465111204 15.999 > 31 124 O 0.89221879907042 0.54507579268506 0.13736465111204 15.999 > 31 125 O 0.39221879907042 0.45492420731494 0.63736465111204 15.999 > 32 126 O 0.89221879907042 0.45492420731494 0.63736465111204 15.999 > 32 127 O 0.39221879907042 0.95492420731494 0.63736465111204 15.999 > 32 128 O 0.89221879907042 0.95492420731494 0.63736465111204 15.999 > 32 129 O 0.36269916728958 0.08137842641200 0.80440058167896 15.999 > 33 130 O 0.86269916728958 0.08137842641200 0.80440058167896 15.999 > 33 131 O 0.36269916728958 0.58137842641200 0.80440058167896 15.999 > 33 132 O 0.86269916728958 0.58137842641200 0.80440058167896 15.999 > 33 133 O 0.36269916728958 0.41862157358800 0.30440058167896 15.999 > 34 134 O 0.86269916728958 0.41862157358800 0.30440058167896 15.999 > 34 135 O 0.36269916728958 0.91862157358800 0.30440058167896 15.999 > 34 136 O 0.86269916728958 0.91862157358800 0.30440058167896 15.999 > 34 137 O 0.39591891312515 0.18418099442052 0.97001203013735 15.999 > 35 138 O 0.89591891312515 0.18418099442052 0.97001203013735 15.999 > 35 139 O 0.39591891312515 0.68418099442052 0.97001203013735 15.999 > 35 140 O 0.89591891312515 0.68418099442052 0.97001203013735 15.999 > 35 141 O 0.39591891312515 0.31581900557948 0.47001203013735 15.999 > 36 142 O 0.89591891312515 0.31581900557948 0.47001203013735 15.999 > 36 143 O 0.39591891312515 0.81581900557948 0.47001203013735 15.999 > 36 144 O 0.89591891312515 0.81581900557948 0.47001203013735 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7591542 0.0000000 0.0000000 0.0000000 7.6338524 0.0000000 0.0000000 0.0000000 8.4111006 -------------------------- Born effective charges -------------------------- 1 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 2 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 3 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 4 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 5 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 6 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 7 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 8 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 9 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 10 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 11 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 12 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 13 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 14 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 15 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 16 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 17 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 18 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 19 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 20 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 21 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 22 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 23 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 24 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 25 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 26 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 27 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 28 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 29 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 30 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 31 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 32 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 33 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 34 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 35 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 36 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 145 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 7), data: (652, 17) @ (17, 7) |-- (152, 145), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.092 Solver_block: 200 / 560 - Time: 1.064 Solver_block: 300 / 560 - Time: 1.058 Solver_block: 400 / 560 - Time: 1.063 Solver_block: 500 / 560 - Time: 1.055 Solver_block: 560 / 560 - Time: 0.691 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 145 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 7), data: (652, 17) @ (17, 7) |-- (152, 145), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:07:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:07:41]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.540232820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.509555960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): 1 Ti 0.99972935452007 0.35988816854918 0.08400080718546 47.867 2 Ti 0.00000000000000 0.04211826589895 0.25000000000000 47.867 3 Ti 0.00027064547993 0.35988816854918 0.41599919281454 47.867 4 Ti 0.00000000000000 0.95788173410105 0.75000000000000 47.867 5 Ti 0.99972935452007 0.64011183145082 0.58400080718546 47.867 6 Ti 0.00027064547993 0.64011183145082 0.91599919281454 47.867 7 Ti 0.50027064547993 0.14011183145082 0.58400080718546 47.867 8 Ti 0.50000000000000 0.54211826589895 0.25000000000000 47.867 9 Ti 0.50000000000000 0.45788173410105 0.75000000000000 47.867 10 Ti 0.49972935452007 0.14011183145082 0.91599919281454 47.867 11 Ti 0.49972935452007 0.85988816854918 0.41599919281454 47.867 12 Ti 0.50027064547993 0.85988816854918 0.08400080718546 47.867 13 O 0.20816217374971 0.63163801115896 0.02998796986265 15.999 14 O 0.20816217374971 0.36836198884104 0.52998796986265 15.999 15 O 0.27460166542084 0.16275685282400 0.69559941832104 15.999 16 O 0.27460166542084 0.83724314717600 0.19559941832104 15.999 17 O 0.21556240185915 0.09015158537012 0.36263534888796 15.999 18 O 0.21556240185915 0.90984841462988 0.86263534888796 15.999 19 O 0.28443759814085 0.59015158537012 0.36263534888796 15.999 20 O 0.28443759814085 0.40984841462988 0.86263534888796 15.999 21 O 0.22539833457916 0.33724314717600 0.19559941832104 15.999 22 O 0.22539833457916 0.66275685282400 0.69559941832104 15.999 23 O 0.29183782625029 0.86836198884104 0.52998796986265 15.999 24 O 0.29183782625029 0.13163801115896 0.02998796986265 15.999 25 O 0.70816217374971 0.13163801115896 0.47001203013735 15.999 26 O 0.70816217374971 0.86836198884104 0.97001203013735 15.999 27 O 0.77460166542084 0.33724314717600 0.30440058167896 15.999 28 O 0.77460166542084 0.66275685282400 0.80440058167896 15.999 29 O 0.71556240185915 0.59015158537012 0.13736465111204 15.999 30 O 0.71556240185915 0.40984841462988 0.63736465111204 15.999 31 O 0.78443759814085 0.09015158537012 0.13736465111204 15.999 32 O 0.78443759814085 0.90984841462988 0.63736465111204 15.999 33 O 0.72539833457916 0.16275685282400 0.80440058167896 15.999 34 O 0.72539833457916 0.83724314717600 0.30440058167896 15.999 35 O 0.79183782625029 0.36836198884104 0.97001203013735 15.999 36 O 0.79183782625029 0.63163801115896 0.47001203013735 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.080465640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.019111920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): 1 Ti 0.49986467726004 0.17994408427459 0.08400080718546 47.867 > 1 2 Ti 0.99986467726004 0.17994408427459 0.08400080718546 47.867 > 1 3 Ti 0.49986467726004 0.67994408427459 0.08400080718546 47.867 > 1 4 Ti 0.99986467726004 0.67994408427459 0.08400080718546 47.867 > 1 5 Ti 0.00000000000000 0.02105913294948 0.25000000000000 47.867 > 5 6 Ti 0.50000000000000 0.02105913294948 0.25000000000000 47.867 > 5 7 Ti 0.00000000000000 0.52105913294948 0.25000000000000 47.867 > 5 8 Ti 0.50000000000000 0.52105913294948 0.25000000000000 47.867 > 5 9 Ti 0.00013532273996 0.17994408427459 0.41599919281454 47.867 > 9 10 Ti 0.50013532273996 0.17994408427459 0.41599919281454 47.867 > 9 11 Ti 0.00013532273996 0.67994408427459 0.41599919281454 47.867 > 9 12 Ti 0.50013532273996 0.67994408427459 0.41599919281454 47.867 > 9 13 Ti 0.00000000000000 0.47894086705052 0.75000000000000 47.867 > 13 14 Ti 0.50000000000000 0.47894086705052 0.75000000000000 47.867 > 13 15 Ti 0.00000000000000 0.97894086705052 0.75000000000000 47.867 > 13 16 Ti 0.50000000000000 0.97894086705052 0.75000000000000 47.867 > 13 17 Ti 0.49986467726004 0.32005591572541 0.58400080718546 47.867 > 17 18 Ti 0.99986467726004 0.32005591572541 0.58400080718546 47.867 > 17 19 Ti 0.49986467726004 0.82005591572541 0.58400080718546 47.867 > 17 20 Ti 0.99986467726004 0.82005591572541 0.58400080718546 47.867 > 17 21 Ti 0.00013532273996 0.32005591572541 0.91599919281454 47.867 > 21 22 Ti 0.50013532273996 0.32005591572541 0.91599919281454 47.867 > 21 23 Ti 0.00013532273996 0.82005591572541 0.91599919281454 47.867 > 21 24 Ti 0.50013532273996 0.82005591572541 0.91599919281454 47.867 > 21 25 Ti 0.25013532273996 0.07005591572541 0.58400080718546 47.867 > 25 26 Ti 0.75013532273996 0.07005591572541 0.58400080718546 47.867 > 25 27 Ti 0.25013532273996 0.57005591572541 0.58400080718546 47.867 > 25 28 Ti 0.75013532273996 0.57005591572541 0.58400080718546 47.867 > 25 29 Ti 0.25000000000000 0.27105913294948 0.25000000000000 47.867 > 29 30 Ti 0.75000000000000 0.27105913294948 0.25000000000000 47.867 > 29 31 Ti 0.25000000000000 0.77105913294948 0.25000000000000 47.867 > 29 32 Ti 0.75000000000000 0.77105913294948 0.25000000000000 47.867 > 29 33 Ti 0.25000000000000 0.22894086705052 0.75000000000000 47.867 > 33 34 Ti 0.75000000000000 0.22894086705052 0.75000000000000 47.867 > 33 35 Ti 0.25000000000000 0.72894086705052 0.75000000000000 47.867 > 33 36 Ti 0.75000000000000 0.72894086705052 0.75000000000000 47.867 > 33 37 Ti 0.24986467726004 0.07005591572541 0.91599919281454 47.867 > 37 38 Ti 0.74986467726004 0.07005591572541 0.91599919281454 47.867 > 37 39 Ti 0.24986467726004 0.57005591572541 0.91599919281454 47.867 > 37 40 Ti 0.74986467726004 0.57005591572541 0.91599919281454 47.867 > 37 41 Ti 0.24986467726004 0.42994408427459 0.41599919281454 47.867 > 41 42 Ti 0.74986467726004 0.42994408427459 0.41599919281454 47.867 > 41 43 Ti 0.24986467726004 0.92994408427459 0.41599919281454 47.867 > 41 44 Ti 0.74986467726004 0.92994408427459 0.41599919281454 47.867 > 41 45 Ti 0.25013532273996 0.42994408427459 0.08400080718546 47.867 > 45 46 Ti 0.75013532273996 0.42994408427459 0.08400080718546 47.867 > 45 47 Ti 0.25013532273996 0.92994408427459 0.08400080718546 47.867 > 45 48 Ti 0.75013532273996 0.92994408427459 0.08400080718546 47.867 > 45 49 O 0.10408108687485 0.31581900557948 0.02998796986265 15.999 > 49 50 O 0.60408108687485 0.31581900557948 0.02998796986265 15.999 > 49 51 O 0.10408108687485 0.81581900557948 0.02998796986265 15.999 > 49 52 O 0.60408108687485 0.81581900557948 0.02998796986265 15.999 > 49 53 O 0.10408108687485 0.18418099442052 0.52998796986265 15.999 > 53 54 O 0.60408108687485 0.18418099442052 0.52998796986265 15.999 > 53 55 O 0.10408108687485 0.68418099442052 0.52998796986265 15.999 > 53 56 O 0.60408108687485 0.68418099442052 0.52998796986265 15.999 > 53 57 O 0.13730083271042 0.08137842641200 0.69559941832104 15.999 > 57 58 O 0.63730083271042 0.08137842641200 0.69559941832104 15.999 > 57 59 O 0.13730083271042 0.58137842641200 0.69559941832104 15.999 > 57 60 O 0.63730083271042 0.58137842641200 0.69559941832104 15.999 > 57 61 O 0.13730083271042 0.41862157358800 0.19559941832104 15.999 > 61 62 O 0.63730083271042 0.41862157358800 0.19559941832104 15.999 > 61 63 O 0.13730083271042 0.91862157358800 0.19559941832104 15.999 > 61 64 O 0.63730083271042 0.91862157358800 0.19559941832104 15.999 > 61 65 O 0.10778120092958 0.04507579268506 0.36263534888796 15.999 > 65 66 O 0.60778120092958 0.04507579268506 0.36263534888796 15.999 > 65 67 O 0.10778120092958 0.54507579268506 0.36263534888796 15.999 > 65 68 O 0.60778120092958 0.54507579268506 0.36263534888796 15.999 > 65 69 O 0.10778120092958 0.45492420731494 0.86263534888796 15.999 > 69 70 O 0.60778120092958 0.45492420731494 0.86263534888796 15.999 > 69 71 O 0.10778120092958 0.95492420731494 0.86263534888796 15.999 > 69 72 O 0.60778120092958 0.95492420731494 0.86263534888796 15.999 > 69 73 O 0.14221879907042 0.29507579268506 0.36263534888796 15.999 > 73 74 O 0.64221879907042 0.29507579268506 0.36263534888796 15.999 > 73 75 O 0.14221879907042 0.79507579268506 0.36263534888796 15.999 > 73 76 O 0.64221879907042 0.79507579268506 0.36263534888796 15.999 > 73 77 O 0.14221879907042 0.20492420731494 0.86263534888796 15.999 > 77 78 O 0.64221879907042 0.20492420731494 0.86263534888796 15.999 > 77 79 O 0.14221879907042 0.70492420731494 0.86263534888796 15.999 > 77 80 O 0.64221879907042 0.70492420731494 0.86263534888796 15.999 > 77 81 O 0.11269916728958 0.16862157358800 0.19559941832104 15.999 > 81 82 O 0.61269916728958 0.16862157358800 0.19559941832104 15.999 > 81 83 O 0.11269916728958 0.66862157358800 0.19559941832104 15.999 > 81 84 O 0.61269916728958 0.66862157358800 0.19559941832104 15.999 > 81 85 O 0.11269916728958 0.33137842641200 0.69559941832104 15.999 > 85 86 O 0.61269916728958 0.33137842641200 0.69559941832104 15.999 > 85 87 O 0.11269916728958 0.83137842641200 0.69559941832104 15.999 > 85 88 O 0.61269916728958 0.83137842641200 0.69559941832104 15.999 > 85 89 O 0.14591891312515 0.43418099442052 0.52998796986265 15.999 > 89 90 O 0.64591891312515 0.43418099442052 0.52998796986265 15.999 > 89 91 O 0.14591891312515 0.93418099442052 0.52998796986265 15.999 > 89 92 O 0.64591891312515 0.93418099442052 0.52998796986265 15.999 > 89 93 O 0.14591891312515 0.06581900557948 0.02998796986265 15.999 > 93 94 O 0.64591891312515 0.06581900557948 0.02998796986265 15.999 > 93 95 O 0.14591891312515 0.56581900557948 0.02998796986265 15.999 > 93 96 O 0.64591891312515 0.56581900557948 0.02998796986265 15.999 > 93 97 O 0.35408108687485 0.06581900557948 0.47001203013735 15.999 > 97 98 O 0.85408108687485 0.06581900557948 0.47001203013735 15.999 > 97 99 O 0.35408108687485 0.56581900557948 0.47001203013735 15.999 > 97 100 O 0.85408108687485 0.56581900557948 0.47001203013735 15.999 > 97 101 O 0.35408108687485 0.43418099442052 0.97001203013735 15.999 > 101 102 O 0.85408108687485 0.43418099442052 0.97001203013735 15.999 > 101 103 O 0.35408108687485 0.93418099442052 0.97001203013735 15.999 > 101 104 O 0.85408108687485 0.93418099442052 0.97001203013735 15.999 > 101 105 O 0.38730083271042 0.16862157358800 0.30440058167896 15.999 > 105 106 O 0.88730083271042 0.16862157358800 0.30440058167896 15.999 > 105 107 O 0.38730083271042 0.66862157358800 0.30440058167896 15.999 > 105 108 O 0.88730083271042 0.66862157358800 0.30440058167896 15.999 > 105 109 O 0.38730083271042 0.33137842641200 0.80440058167896 15.999 > 109 110 O 0.88730083271042 0.33137842641200 0.80440058167896 15.999 > 109 111 O 0.38730083271042 0.83137842641200 0.80440058167896 15.999 > 109 112 O 0.88730083271042 0.83137842641200 0.80440058167896 15.999 > 109 113 O 0.35778120092958 0.29507579268506 0.13736465111204 15.999 > 113 114 O 0.85778120092958 0.29507579268506 0.13736465111204 15.999 > 113 115 O 0.35778120092958 0.79507579268506 0.13736465111204 15.999 > 113 116 O 0.85778120092958 0.79507579268506 0.13736465111204 15.999 > 113 117 O 0.35778120092958 0.20492420731494 0.63736465111204 15.999 > 117 118 O 0.85778120092958 0.20492420731494 0.63736465111204 15.999 > 117 119 O 0.35778120092958 0.70492420731494 0.63736465111204 15.999 > 117 120 O 0.85778120092958 0.70492420731494 0.63736465111204 15.999 > 117 121 O 0.39221879907042 0.04507579268506 0.13736465111204 15.999 > 121 122 O 0.89221879907042 0.04507579268506 0.13736465111204 15.999 > 121 123 O 0.39221879907042 0.54507579268506 0.13736465111204 15.999 > 121 124 O 0.89221879907042 0.54507579268506 0.13736465111204 15.999 > 121 125 O 0.39221879907042 0.45492420731494 0.63736465111204 15.999 > 125 126 O 0.89221879907042 0.45492420731494 0.63736465111204 15.999 > 125 127 O 0.39221879907042 0.95492420731494 0.63736465111204 15.999 > 125 128 O 0.89221879907042 0.95492420731494 0.63736465111204 15.999 > 125 129 O 0.36269916728958 0.08137842641200 0.80440058167896 15.999 > 129 130 O 0.86269916728958 0.08137842641200 0.80440058167896 15.999 > 129 131 O 0.36269916728958 0.58137842641200 0.80440058167896 15.999 > 129 132 O 0.86269916728958 0.58137842641200 0.80440058167896 15.999 > 129 133 O 0.36269916728958 0.41862157358800 0.30440058167896 15.999 > 133 134 O 0.86269916728958 0.41862157358800 0.30440058167896 15.999 > 133 135 O 0.36269916728958 0.91862157358800 0.30440058167896 15.999 > 133 136 O 0.86269916728958 0.91862157358800 0.30440058167896 15.999 > 133 137 O 0.39591891312515 0.18418099442052 0.97001203013735 15.999 > 137 138 O 0.89591891312515 0.18418099442052 0.97001203013735 15.999 > 137 139 O 0.39591891312515 0.68418099442052 0.97001203013735 15.999 > 137 140 O 0.89591891312515 0.68418099442052 0.97001203013735 15.999 > 137 141 O 0.39591891312515 0.31581900557948 0.47001203013735 15.999 > 141 142 O 0.89591891312515 0.31581900557948 0.47001203013735 15.999 > 141 143 O 0.39591891312515 0.81581900557948 0.47001203013735 15.999 > 141 144 O 0.89591891312515 0.81581900557948 0.47001203013735 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7591542 0.0000000 0.0000000 0.0000000 7.6338524 0.0000000 0.0000000 0.0000000 8.4111006 -------------------------- Born effective charges -------------------------- 1 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 2 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 3 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 4 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 5 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 6 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 7 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 8 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 9 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 10 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 11 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 12 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 13 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 14 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 15 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 16 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 17 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 18 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 19 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 20 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 21 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 22 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 23 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 24 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 25 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 26 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 27 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 28 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 29 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 30 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 31 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 32 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 33 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 34 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 35 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 36 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) 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 2026-01-09 03:08:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:08:20]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.540232820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.509555960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): 1 Ti 0.99972935452007 0.35988816854918 0.08400080718546 47.867 2 Ti 0.00000000000000 0.04211826589895 0.25000000000000 47.867 3 Ti 0.00027064547993 0.35988816854918 0.41599919281454 47.867 4 Ti 0.00000000000000 0.95788173410105 0.75000000000000 47.867 5 Ti 0.99972935452007 0.64011183145082 0.58400080718546 47.867 6 Ti 0.00027064547993 0.64011183145082 0.91599919281454 47.867 7 Ti 0.50027064547993 0.14011183145082 0.58400080718546 47.867 8 Ti 0.50000000000000 0.54211826589895 0.25000000000000 47.867 9 Ti 0.50000000000000 0.45788173410105 0.75000000000000 47.867 10 Ti 0.49972935452007 0.14011183145082 0.91599919281454 47.867 11 Ti 0.49972935452007 0.85988816854918 0.41599919281454 47.867 12 Ti 0.50027064547993 0.85988816854918 0.08400080718546 47.867 13 O 0.20816217374971 0.63163801115896 0.02998796986265 15.999 14 O 0.20816217374971 0.36836198884104 0.52998796986265 15.999 15 O 0.27460166542084 0.16275685282400 0.69559941832104 15.999 16 O 0.27460166542084 0.83724314717600 0.19559941832104 15.999 17 O 0.21556240185915 0.09015158537012 0.36263534888796 15.999 18 O 0.21556240185915 0.90984841462988 0.86263534888796 15.999 19 O 0.28443759814085 0.59015158537012 0.36263534888796 15.999 20 O 0.28443759814085 0.40984841462988 0.86263534888796 15.999 21 O 0.22539833457916 0.33724314717600 0.19559941832104 15.999 22 O 0.22539833457916 0.66275685282400 0.69559941832104 15.999 23 O 0.29183782625029 0.86836198884104 0.52998796986265 15.999 24 O 0.29183782625029 0.13163801115896 0.02998796986265 15.999 25 O 0.70816217374971 0.13163801115896 0.47001203013735 15.999 26 O 0.70816217374971 0.86836198884104 0.97001203013735 15.999 27 O 0.77460166542084 0.33724314717600 0.30440058167896 15.999 28 O 0.77460166542084 0.66275685282400 0.80440058167896 15.999 29 O 0.71556240185915 0.59015158537012 0.13736465111204 15.999 30 O 0.71556240185915 0.40984841462988 0.63736465111204 15.999 31 O 0.78443759814085 0.09015158537012 0.13736465111204 15.999 32 O 0.78443759814085 0.90984841462988 0.63736465111204 15.999 33 O 0.72539833457916 0.16275685282400 0.80440058167896 15.999 34 O 0.72539833457916 0.83724314717600 0.30440058167896 15.999 35 O 0.79183782625029 0.36836198884104 0.97001203013735 15.999 36 O 0.79183782625029 0.63163801115896 0.47001203013735 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.080465640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.019111920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838812040000001 Atomic positions (fractional): 1 Ti 0.49986467726004 0.17994408427459 0.08400080718546 47.867 > 1 2 Ti 0.99986467726004 0.17994408427459 0.08400080718546 47.867 > 1 3 Ti 0.49986467726004 0.67994408427459 0.08400080718546 47.867 > 1 4 Ti 0.99986467726004 0.67994408427459 0.08400080718546 47.867 > 1 5 Ti 0.00000000000000 0.02105913294948 0.25000000000000 47.867 > 5 6 Ti 0.50000000000000 0.02105913294948 0.25000000000000 47.867 > 5 7 Ti 0.00000000000000 0.52105913294948 0.25000000000000 47.867 > 5 8 Ti 0.50000000000000 0.52105913294948 0.25000000000000 47.867 > 5 9 Ti 0.00013532273996 0.17994408427459 0.41599919281454 47.867 > 9 10 Ti 0.50013532273996 0.17994408427459 0.41599919281454 47.867 > 9 11 Ti 0.00013532273996 0.67994408427459 0.41599919281454 47.867 > 9 12 Ti 0.50013532273996 0.67994408427459 0.41599919281454 47.867 > 9 13 Ti 0.00000000000000 0.47894086705052 0.75000000000000 47.867 > 13 14 Ti 0.50000000000000 0.47894086705052 0.75000000000000 47.867 > 13 15 Ti 0.00000000000000 0.97894086705052 0.75000000000000 47.867 > 13 16 Ti 0.50000000000000 0.97894086705052 0.75000000000000 47.867 > 13 17 Ti 0.49986467726004 0.32005591572541 0.58400080718546 47.867 > 17 18 Ti 0.99986467726004 0.32005591572541 0.58400080718546 47.867 > 17 19 Ti 0.49986467726004 0.82005591572541 0.58400080718546 47.867 > 17 20 Ti 0.99986467726004 0.82005591572541 0.58400080718546 47.867 > 17 21 Ti 0.00013532273996 0.32005591572541 0.91599919281454 47.867 > 21 22 Ti 0.50013532273996 0.32005591572541 0.91599919281454 47.867 > 21 23 Ti 0.00013532273996 0.82005591572541 0.91599919281454 47.867 > 21 24 Ti 0.50013532273996 0.82005591572541 0.91599919281454 47.867 > 21 25 Ti 0.25013532273996 0.07005591572541 0.58400080718546 47.867 > 25 26 Ti 0.75013532273996 0.07005591572541 0.58400080718546 47.867 > 25 27 Ti 0.25013532273996 0.57005591572541 0.58400080718546 47.867 > 25 28 Ti 0.75013532273996 0.57005591572541 0.58400080718546 47.867 > 25 29 Ti 0.25000000000000 0.27105913294948 0.25000000000000 47.867 > 29 30 Ti 0.75000000000000 0.27105913294948 0.25000000000000 47.867 > 29 31 Ti 0.25000000000000 0.77105913294948 0.25000000000000 47.867 > 29 32 Ti 0.75000000000000 0.77105913294948 0.25000000000000 47.867 > 29 33 Ti 0.25000000000000 0.22894086705052 0.75000000000000 47.867 > 33 34 Ti 0.75000000000000 0.22894086705052 0.75000000000000 47.867 > 33 35 Ti 0.25000000000000 0.72894086705052 0.75000000000000 47.867 > 33 36 Ti 0.75000000000000 0.72894086705052 0.75000000000000 47.867 > 33 37 Ti 0.24986467726004 0.07005591572541 0.91599919281454 47.867 > 37 38 Ti 0.74986467726004 0.07005591572541 0.91599919281454 47.867 > 37 39 Ti 0.24986467726004 0.57005591572541 0.91599919281454 47.867 > 37 40 Ti 0.74986467726004 0.57005591572541 0.91599919281454 47.867 > 37 41 Ti 0.24986467726004 0.42994408427459 0.41599919281454 47.867 > 41 42 Ti 0.74986467726004 0.42994408427459 0.41599919281454 47.867 > 41 43 Ti 0.24986467726004 0.92994408427459 0.41599919281454 47.867 > 41 44 Ti 0.74986467726004 0.92994408427459 0.41599919281454 47.867 > 41 45 Ti 0.25013532273996 0.42994408427459 0.08400080718546 47.867 > 45 46 Ti 0.75013532273996 0.42994408427459 0.08400080718546 47.867 > 45 47 Ti 0.25013532273996 0.92994408427459 0.08400080718546 47.867 > 45 48 Ti 0.75013532273996 0.92994408427459 0.08400080718546 47.867 > 45 49 O 0.10408108687485 0.31581900557948 0.02998796986265 15.999 > 49 50 O 0.60408108687485 0.31581900557948 0.02998796986265 15.999 > 49 51 O 0.10408108687485 0.81581900557948 0.02998796986265 15.999 > 49 52 O 0.60408108687485 0.81581900557948 0.02998796986265 15.999 > 49 53 O 0.10408108687485 0.18418099442052 0.52998796986265 15.999 > 53 54 O 0.60408108687485 0.18418099442052 0.52998796986265 15.999 > 53 55 O 0.10408108687485 0.68418099442052 0.52998796986265 15.999 > 53 56 O 0.60408108687485 0.68418099442052 0.52998796986265 15.999 > 53 57 O 0.13730083271042 0.08137842641200 0.69559941832104 15.999 > 57 58 O 0.63730083271042 0.08137842641200 0.69559941832104 15.999 > 57 59 O 0.13730083271042 0.58137842641200 0.69559941832104 15.999 > 57 60 O 0.63730083271042 0.58137842641200 0.69559941832104 15.999 > 57 61 O 0.13730083271042 0.41862157358800 0.19559941832104 15.999 > 61 62 O 0.63730083271042 0.41862157358800 0.19559941832104 15.999 > 61 63 O 0.13730083271042 0.91862157358800 0.19559941832104 15.999 > 61 64 O 0.63730083271042 0.91862157358800 0.19559941832104 15.999 > 61 65 O 0.10778120092958 0.04507579268506 0.36263534888796 15.999 > 65 66 O 0.60778120092958 0.04507579268506 0.36263534888796 15.999 > 65 67 O 0.10778120092958 0.54507579268506 0.36263534888796 15.999 > 65 68 O 0.60778120092958 0.54507579268506 0.36263534888796 15.999 > 65 69 O 0.10778120092958 0.45492420731494 0.86263534888796 15.999 > 69 70 O 0.60778120092958 0.45492420731494 0.86263534888796 15.999 > 69 71 O 0.10778120092958 0.95492420731494 0.86263534888796 15.999 > 69 72 O 0.60778120092958 0.95492420731494 0.86263534888796 15.999 > 69 73 O 0.14221879907042 0.29507579268506 0.36263534888796 15.999 > 73 74 O 0.64221879907042 0.29507579268506 0.36263534888796 15.999 > 73 75 O 0.14221879907042 0.79507579268506 0.36263534888796 15.999 > 73 76 O 0.64221879907042 0.79507579268506 0.36263534888796 15.999 > 73 77 O 0.14221879907042 0.20492420731494 0.86263534888796 15.999 > 77 78 O 0.64221879907042 0.20492420731494 0.86263534888796 15.999 > 77 79 O 0.14221879907042 0.70492420731494 0.86263534888796 15.999 > 77 80 O 0.64221879907042 0.70492420731494 0.86263534888796 15.999 > 77 81 O 0.11269916728958 0.16862157358800 0.19559941832104 15.999 > 81 82 O 0.61269916728958 0.16862157358800 0.19559941832104 15.999 > 81 83 O 0.11269916728958 0.66862157358800 0.19559941832104 15.999 > 81 84 O 0.61269916728958 0.66862157358800 0.19559941832104 15.999 > 81 85 O 0.11269916728958 0.33137842641200 0.69559941832104 15.999 > 85 86 O 0.61269916728958 0.33137842641200 0.69559941832104 15.999 > 85 87 O 0.11269916728958 0.83137842641200 0.69559941832104 15.999 > 85 88 O 0.61269916728958 0.83137842641200 0.69559941832104 15.999 > 85 89 O 0.14591891312515 0.43418099442052 0.52998796986265 15.999 > 89 90 O 0.64591891312515 0.43418099442052 0.52998796986265 15.999 > 89 91 O 0.14591891312515 0.93418099442052 0.52998796986265 15.999 > 89 92 O 0.64591891312515 0.93418099442052 0.52998796986265 15.999 > 89 93 O 0.14591891312515 0.06581900557948 0.02998796986265 15.999 > 93 94 O 0.64591891312515 0.06581900557948 0.02998796986265 15.999 > 93 95 O 0.14591891312515 0.56581900557948 0.02998796986265 15.999 > 93 96 O 0.64591891312515 0.56581900557948 0.02998796986265 15.999 > 93 97 O 0.35408108687485 0.06581900557948 0.47001203013735 15.999 > 97 98 O 0.85408108687485 0.06581900557948 0.47001203013735 15.999 > 97 99 O 0.35408108687485 0.56581900557948 0.47001203013735 15.999 > 97 100 O 0.85408108687485 0.56581900557948 0.47001203013735 15.999 > 97 101 O 0.35408108687485 0.43418099442052 0.97001203013735 15.999 > 101 102 O 0.85408108687485 0.43418099442052 0.97001203013735 15.999 > 101 103 O 0.35408108687485 0.93418099442052 0.97001203013735 15.999 > 101 104 O 0.85408108687485 0.93418099442052 0.97001203013735 15.999 > 101 105 O 0.38730083271042 0.16862157358800 0.30440058167896 15.999 > 105 106 O 0.88730083271042 0.16862157358800 0.30440058167896 15.999 > 105 107 O 0.38730083271042 0.66862157358800 0.30440058167896 15.999 > 105 108 O 0.88730083271042 0.66862157358800 0.30440058167896 15.999 > 105 109 O 0.38730083271042 0.33137842641200 0.80440058167896 15.999 > 109 110 O 0.88730083271042 0.33137842641200 0.80440058167896 15.999 > 109 111 O 0.38730083271042 0.83137842641200 0.80440058167896 15.999 > 109 112 O 0.88730083271042 0.83137842641200 0.80440058167896 15.999 > 109 113 O 0.35778120092958 0.29507579268506 0.13736465111204 15.999 > 113 114 O 0.85778120092958 0.29507579268506 0.13736465111204 15.999 > 113 115 O 0.35778120092958 0.79507579268506 0.13736465111204 15.999 > 113 116 O 0.85778120092958 0.79507579268506 0.13736465111204 15.999 > 113 117 O 0.35778120092958 0.20492420731494 0.63736465111204 15.999 > 117 118 O 0.85778120092958 0.20492420731494 0.63736465111204 15.999 > 117 119 O 0.35778120092958 0.70492420731494 0.63736465111204 15.999 > 117 120 O 0.85778120092958 0.70492420731494 0.63736465111204 15.999 > 117 121 O 0.39221879907042 0.04507579268506 0.13736465111204 15.999 > 121 122 O 0.89221879907042 0.04507579268506 0.13736465111204 15.999 > 121 123 O 0.39221879907042 0.54507579268506 0.13736465111204 15.999 > 121 124 O 0.89221879907042 0.54507579268506 0.13736465111204 15.999 > 121 125 O 0.39221879907042 0.45492420731494 0.63736465111204 15.999 > 125 126 O 0.89221879907042 0.45492420731494 0.63736465111204 15.999 > 125 127 O 0.39221879907042 0.95492420731494 0.63736465111204 15.999 > 125 128 O 0.89221879907042 0.95492420731494 0.63736465111204 15.999 > 125 129 O 0.36269916728958 0.08137842641200 0.80440058167896 15.999 > 129 130 O 0.86269916728958 0.08137842641200 0.80440058167896 15.999 > 129 131 O 0.36269916728958 0.58137842641200 0.80440058167896 15.999 > 129 132 O 0.86269916728958 0.58137842641200 0.80440058167896 15.999 > 129 133 O 0.36269916728958 0.41862157358800 0.30440058167896 15.999 > 133 134 O 0.86269916728958 0.41862157358800 0.30440058167896 15.999 > 133 135 O 0.36269916728958 0.91862157358800 0.30440058167896 15.999 > 133 136 O 0.86269916728958 0.91862157358800 0.30440058167896 15.999 > 133 137 O 0.39591891312515 0.18418099442052 0.97001203013735 15.999 > 137 138 O 0.89591891312515 0.18418099442052 0.97001203013735 15.999 > 137 139 O 0.39591891312515 0.68418099442052 0.97001203013735 15.999 > 137 140 O 0.89591891312515 0.68418099442052 0.97001203013735 15.999 > 137 141 O 0.39591891312515 0.31581900557948 0.47001203013735 15.999 > 141 142 O 0.89591891312515 0.31581900557948 0.47001203013735 15.999 > 141 143 O 0.39591891312515 0.81581900557948 0.47001203013735 15.999 > 141 144 O 0.89591891312515 0.81581900557948 0.47001203013735 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7591542 0.0000000 0.0000000 0.0000000 7.6338524 0.0000000 0.0000000 0.0000000 8.4111006 -------------------------- Born effective charges -------------------------- 1 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 2 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 3 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 4 Ti 6.3951363 0.0000000 -0.9395154 0.0000000 5.5809436 0.0000000 -0.4759236 0.0000000 7.0693382 5 Ti 6.3479580 1.1796757 -0.3519703 0.3308450 6.7527191 -0.0617925 -0.2572518 0.6002887 7.1522614 6 Ti 6.3479580 -1.1796757 -0.3519703 -0.3308450 6.7527191 0.0617925 -0.2572518 -0.6002887 7.1522614 7 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 8 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 9 Ti 6.3951363 0.0000000 0.9395154 0.0000000 5.5809436 0.0000000 0.4759236 0.0000000 7.0693382 10 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 11 Ti 6.3479580 -1.1796757 0.3519703 -0.3308450 6.7527191 -0.0617925 0.2572518 0.6002887 7.1522614 12 Ti 6.3479580 1.1796757 0.3519703 0.3308450 6.7527191 0.0617925 0.2572518 -0.6002887 7.1522614 13 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 14 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 15 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 16 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 17 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 18 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 19 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 20 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 21 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 22 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 23 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 24 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 25 O -3.0168018 -1.4086347 0.9672625 -1.5916492 -3.3340357 -0.0001090 0.9016408 -0.3028517 -3.5914453 26 O -3.0168018 1.4086347 0.9672625 1.5916492 -3.3340357 0.0001090 0.9016408 0.3028517 -3.5914453 27 O -3.4326114 1.5900607 -1.5154883 1.5358501 -2.7764776 0.4291880 -1.4587708 0.0996737 -3.5981022 28 O -3.4326114 -1.5900607 -1.5154883 -1.5358501 -2.7764776 -0.4291880 -1.4587708 -0.0996737 -3.5981022 29 O -3.0961129 1.5702712 0.9658429 1.4957322 -3.4326776 0.3516964 1.0321789 0.3502516 -3.4973829 30 O -3.0961129 -1.5702712 0.9658429 -1.4957322 -3.4326776 -0.3516964 1.0321789 -0.3502516 -3.4973829 31 O -3.0961129 -1.5702712 -0.9658429 -1.4957322 -3.4326776 0.3516964 -1.0321789 0.3502516 -3.4973829 32 O -3.0961129 1.5702712 -0.9658429 1.4957322 -3.4326776 -0.3516964 -1.0321789 -0.3502516 -3.4973829 33 O -3.4326114 1.5900607 1.5154883 1.5358501 -2.7764776 -0.4291880 1.4587708 -0.0996737 -3.5981022 34 O -3.4326114 -1.5900607 1.5154883 -1.5358501 -2.7764776 0.4291880 1.4587708 0.0996737 -3.5981022 35 O -3.0168018 -1.4086347 -0.9672625 -1.5916492 -3.3340357 0.0001090 -0.9016408 0.3028517 -3.5914453 36 O -3.0168018 1.4086347 -0.9672625 1.5916492 -3.3340357 -0.0001090 -0.9016408 -0.3028517 -3.5914453 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 3 ] 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: 0.58, Number of G-points: 291, Lambda: 0.17 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: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 1.701 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.347 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 10.897 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.989 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 13.995 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.369 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 15.047 ( 0.000 0.000 0.000) 0.000 15.196 ( 0.000 0.000 0.000) 0.000 15.210 ( 0.000 0.000 0.000) 0.000 15.560 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 16.207 ( 0.000 0.000 0.000) 0.000 16.288 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.549 ( 0.000 0.000 0.000) 0.000 19.725 ( 0.000 0.000 0.000) 0.000 20.380 ( 0.000 0.000 0.000) 0.000 21.043 ( 0.000 0.000 0.000) 0.000 21.268 ( 0.000 0.000 0.000) 0.000 21.379 ( 0.000 0.000 0.000) 0.000 21.993 ( 0.000 0.000 0.000) 0.000 22.187 ( 0.000 0.000 0.000) 0.000 23.161 ( 0.000 0.000 0.000) 0.000 23.315 ( 0.000 0.000 0.000) 0.000 23.447 ( 0.000 0.000 0.000) 0.000 24.093 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 47.692 0.000 0.000) 47.692 1.126 ( 54.160 0.000 0.000) 54.160 1.376 ( 62.573 0.000 0.000) 62.573 1.965 ( 14.412 0.000 0.000) 14.412 2.002 ( 25.184 0.000 0.000) 25.184 2.008 ( 20.483 0.000 0.000) 20.483 2.074 ( -5.691 0.000 0.000) 5.691 2.605 ( 17.275 0.000 0.000) 17.275 3.068 ( 8.890 0.000 0.000) 8.890 3.119 ( 31.233 0.000 0.000) 31.233 3.555 ( -2.248 0.000 0.000) 2.248 3.623 ( 5.209 0.000 0.000) 5.209 3.775 ( 15.534 0.000 0.000) 15.534 3.792 ( 16.119 0.000 0.000) 16.119 4.299 ( 1.880 0.000 0.000) 1.880 4.300 ( 25.074 0.000 0.000) 25.074 4.478 ( 7.247 0.000 0.000) 7.247 4.749 ( -0.438 0.000 0.000) 0.438 5.218 ( 9.403 0.000 0.000) 9.403 5.281 ( 31.254 0.000 0.000) 31.254 5.285 ( -6.015 0.000 0.000) 6.015 5.631 ( -17.300 0.000 0.000) 17.300 5.757 ( 11.340 0.000 0.000) 11.340 5.943 ( 3.611 0.000 0.000) 3.611 6.170 ( 5.981 0.000 0.000) 5.981 6.360 ( 4.039 0.000 0.000) 4.039 6.597 ( 8.259 0.000 0.000) 8.259 6.786 ( -4.811 0.000 0.000) 4.811 6.879 ( 7.254 0.000 0.000) 7.254 7.199 ( 23.683 0.000 0.000) 23.683 7.229 ( 9.698 0.000 0.000) 9.698 7.317 ( -5.494 0.000 0.000) 5.494 7.373 ( 4.032 0.000 0.000) 4.032 7.439 ( 9.065 0.000 0.000) 9.065 7.507 ( -9.634 0.000 0.000) 9.634 7.946 ( 6.071 0.000 0.000) 6.071 7.979 ( 8.422 0.000 0.000) 8.422 8.461 ( -8.289 0.000 0.000) 8.289 8.483 ( -2.562 0.000 0.000) 2.562 8.613 ( -3.912 0.000 0.000) 3.912 8.999 ( -13.437 0.000 0.000) 13.437 9.210 ( 9.533 0.000 0.000) 9.533 9.289 ( 4.707 0.000 0.000) 4.707 9.694 ( 1.926 0.000 0.000) 1.926 9.904 ( -14.031 0.000 0.000) 14.031 10.144 ( -1.003 0.000 0.000) 1.003 10.310 ( -2.923 0.000 0.000) 2.923 10.451 ( -18.910 0.000 0.000) 18.910 10.493 ( 1.264 0.000 0.000) 1.264 10.550 ( -5.746 0.000 0.000) 5.746 10.660 ( 4.327 0.000 0.000) 4.327 10.683 ( -18.896 0.000 0.000) 18.896 10.811 ( 4.063 0.000 0.000) 4.063 11.025 ( -4.876 0.000 0.000) 4.876 11.242 ( -1.783 0.000 0.000) 1.783 11.267 ( 2.977 0.000 0.000) 2.977 11.407 ( 4.939 0.000 0.000) 4.939 11.618 ( 5.153 0.000 0.000) 5.153 11.618 ( 3.896 0.000 0.000) 3.896 11.851 ( -12.083 0.000 0.000) 12.083 11.946 ( -15.086 0.000 0.000) 15.086 12.016 ( -0.127 0.000 0.000) 0.127 12.248 ( -1.077 0.000 0.000) 1.077 12.311 ( -11.471 0.000 0.000) 11.471 12.427 ( -8.283 0.000 0.000) 8.283 12.606 ( -10.861 0.000 0.000) 10.861 12.672 ( -7.360 0.000 0.000) 7.360 12.721 ( 9.220 0.000 0.000) 9.220 12.905 ( 2.790 0.000 0.000) 2.790 13.128 ( 6.836 0.000 0.000) 6.836 13.138 ( 7.070 0.000 0.000) 7.070 13.351 ( 0.169 0.000 0.000) 0.169 13.383 ( -1.327 0.000 0.000) 1.327 13.440 ( 10.151 0.000 0.000) 10.151 13.720 ( -1.678 0.000 0.000) 1.678 13.736 ( -3.276 0.000 0.000) 3.276 13.945 ( 0.582 0.000 0.000) 0.582 13.980 ( -5.298 0.000 0.000) 5.298 14.002 ( -6.818 0.000 0.000) 6.818 14.030 ( 2.526 0.000 0.000) 2.526 14.076 ( 5.624 0.000 0.000) 5.624 14.230 ( -12.550 0.000 0.000) 12.550 14.444 ( 3.623 0.000 0.000) 3.623 14.834 ( -6.319 0.000 0.000) 6.319 15.004 ( -15.197 0.000 0.000) 15.197 15.010 ( -3.522 0.000 0.000) 3.522 15.260 ( 4.208 0.000 0.000) 4.208 15.367 ( -18.788 0.000 0.000) 18.788 15.516 ( -4.187 0.000 0.000) 4.187 15.974 ( -16.801 0.000 0.000) 16.801 16.401 ( 6.014 0.000 0.000) 6.014 16.668 ( 6.985 0.000 0.000) 6.985 16.905 ( -2.933 0.000 0.000) 2.933 16.925 ( -13.598 0.000 0.000) 13.598 17.307 ( -6.741 0.000 0.000) 6.741 17.462 ( -8.164 0.000 0.000) 8.164 19.798 ( 7.157 0.000 0.000) 7.157 20.439 ( 5.385 0.000 0.000) 5.385 20.845 ( -18.589 0.000 0.000) 18.589 21.089 ( 4.160 0.000 0.000) 4.160 21.651 ( 17.353 0.000 0.000) 17.353 21.966 ( -2.514 0.000 0.000) 2.514 22.176 ( 0.256 0.000 0.000) 0.256 23.213 ( -9.128 0.000 0.000) 9.128 23.311 ( 12.372 0.000 0.000) 12.372 23.433 ( -1.596 0.000 0.000) 1.596 23.969 ( 1.359 0.000 0.000) 1.359 24.098 ( 0.476 0.000 0.000) 0.476 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 32.649 0.000 0.000) 32.649 1.951 ( 21.454 0.000 0.000) 21.454 2.077 ( 12.984 0.000 0.000) 12.984 2.292 ( 17.227 0.000 0.000) 17.227 2.363 ( 39.833 0.000 0.000) 39.833 2.477 ( 17.407 0.000 0.000) 17.407 2.880 ( 6.058 0.000 0.000) 6.058 2.882 ( 57.253 0.000 0.000) 57.253 3.277 ( 9.579 0.000 0.000) 9.579 3.583 ( 5.900 0.000 0.000) 5.900 3.705 ( 26.222 0.000 0.000) 26.222 3.713 ( 3.954 0.000 0.000) 3.954 4.033 ( 2.279 0.000 0.000) 2.279 4.246 ( 27.147 0.000 0.000) 27.147 4.283 ( 8.499 0.000 0.000) 8.499 4.919 ( -18.790 0.000 0.000) 18.790 4.938 ( 36.526 0.000 0.000) 36.526 4.968 ( 26.580 0.000 0.000) 26.580 5.046 ( 39.675 0.000 0.000) 39.675 5.475 ( 16.167 0.000 0.000) 16.167 5.626 ( 10.497 0.000 0.000) 10.497 5.940 ( 32.027 0.000 0.000) 32.027 6.021 ( 13.398 0.000 0.000) 13.398 6.045 ( 6.464 0.000 0.000) 6.464 6.345 ( 8.536 0.000 0.000) 8.536 6.461 ( 8.310 0.000 0.000) 8.310 6.654 ( -6.582 0.000 0.000) 6.582 6.736 ( 3.033 0.000 0.000) 3.033 7.008 ( 3.155 0.000 0.000) 3.155 7.205 ( -3.857 0.000 0.000) 3.857 7.310 ( 0.425 0.000 0.000) 0.425 7.572 ( 17.579 0.000 0.000) 17.579 7.622 ( 9.250 0.000 0.000) 9.250 7.627 ( 20.601 0.000 0.000) 20.601 7.702 ( 23.262 0.000 0.000) 23.262 8.076 ( -0.077 0.000 0.000) 0.077 8.116 ( 10.806 0.000 0.000) 10.806 8.337 ( -1.445 0.000 0.000) 1.445 8.427 ( -2.493 0.000 0.000) 2.493 8.518 ( -5.098 0.000 0.000) 5.098 8.657 ( -19.167 0.000 0.000) 19.167 9.350 ( -0.221 0.000 0.000) 0.221 9.387 ( 7.191 0.000 0.000) 7.191 9.556 ( -19.694 0.000 0.000) 19.694 9.813 ( 10.595 0.000 0.000) 10.595 10.014 ( -23.791 0.000 0.000) 23.791 10.141 ( 0.300 0.000 0.000) 0.300 10.221 ( -6.480 0.000 0.000) 6.480 10.284 ( -16.919 0.000 0.000) 16.919 10.410 ( -8.348 0.000 0.000) 8.348 10.526 ( 1.705 0.000 0.000) 1.705 10.713 ( 0.197 0.000 0.000) 0.197 10.890 ( 2.551 0.000 0.000) 2.551 10.924 ( -5.532 0.000 0.000) 5.532 11.090 ( -13.417 0.000 0.000) 13.417 11.179 ( -4.349 0.000 0.000) 4.349 11.564 ( -14.616 0.000 0.000) 14.616 11.625 ( -15.270 0.000 0.000) 15.270 11.629 ( 10.376 0.000 0.000) 10.376 11.738 ( 7.709 0.000 0.000) 7.709 11.773 ( 9.769 0.000 0.000) 9.769 11.996 ( -5.358 0.000 0.000) 5.358 12.010 ( -17.530 0.000 0.000) 17.530 12.187 ( -10.126 0.000 0.000) 10.126 12.293 ( 4.603 0.000 0.000) 4.603 12.333 ( -15.974 0.000 0.000) 15.974 12.488 ( -10.507 0.000 0.000) 10.507 12.906 ( 9.573 0.000 0.000) 9.573 12.914 ( -2.831 0.000 0.000) 2.831 13.221 ( 1.667 0.000 0.000) 1.667 13.263 ( 6.024 0.000 0.000) 6.024 13.355 ( -1.297 0.000 0.000) 1.297 13.367 ( 1.337 0.000 0.000) 1.337 13.609 ( 3.678 0.000 0.000) 3.678 13.663 ( -3.745 0.000 0.000) 3.745 13.684 ( -1.544 0.000 0.000) 1.544 13.823 ( -17.461 0.000 0.000) 17.461 13.856 ( -7.008 0.000 0.000) 7.008 13.906 ( -0.654 0.000 0.000) 0.654 14.019 ( -3.612 0.000 0.000) 3.612 14.171 ( 11.519 0.000 0.000) 11.519 14.234 ( 9.867 0.000 0.000) 9.867 14.504 ( 2.019 0.000 0.000) 2.019 14.653 ( -11.056 0.000 0.000) 11.056 14.715 ( -12.145 0.000 0.000) 12.145 14.919 ( -5.257 0.000 0.000) 5.257 14.987 ( -17.737 0.000 0.000) 17.737 15.308 ( -2.761 0.000 0.000) 2.761 15.441 ( -0.243 0.000 0.000) 0.243 15.603 ( -19.355 0.000 0.000) 19.355 16.391 ( -8.327 0.000 0.000) 8.327 16.566 ( -20.867 0.000 0.000) 20.867 16.649 ( -9.206 0.000 0.000) 9.206 16.745 ( -13.556 0.000 0.000) 13.556 17.115 ( -12.006 0.000 0.000) 12.006 17.242 ( -13.743 0.000 0.000) 13.743 20.000 ( 12.513 0.000 0.000) 12.513 20.563 ( -8.768 0.000 0.000) 8.768 20.570 ( 7.180 0.000 0.000) 7.180 21.181 ( 4.174 0.000 0.000) 4.174 21.904 ( -3.162 0.000 0.000) 3.162 21.935 ( 10.859 0.000 0.000) 10.859 22.227 ( 4.678 0.000 0.000) 4.678 23.001 ( -10.858 0.000 0.000) 10.858 23.386 ( -2.828 0.000 0.000) 2.828 23.548 ( 9.454 0.000 0.000) 9.454 24.003 ( 1.906 0.000 0.000) 1.906 24.109 ( 0.493 0.000 0.000) 0.493 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 4.486 0.000 0.000) 4.486 2.339 ( 19.196 0.000 0.000) 19.196 2.353 ( 18.716 0.000 0.000) 18.716 2.615 ( 12.669 0.000 0.000) 12.669 2.622 ( -1.294 0.000 0.000) 1.294 2.885 ( -0.454 0.000 0.000) 0.454 3.158 ( 31.997 0.000 0.000) 31.997 3.391 ( 3.072 0.000 0.000) 3.072 3.528 ( -3.045 0.000 0.000) 3.045 3.734 ( 6.977 0.000 0.000) 6.977 3.906 ( -7.595 0.000 0.000) 7.595 3.920 ( 9.938 0.000 0.000) 9.938 4.248 ( 26.544 0.000 0.000) 26.544 4.575 ( 24.524 0.000 0.000) 24.524 4.722 ( 31.110 0.000 0.000) 31.110 5.114 ( 31.445 0.000 0.000) 31.445 5.575 ( 21.600 0.000 0.000) 21.600 5.658 ( 35.989 0.000 0.000) 35.989 5.918 ( 41.533 0.000 0.000) 41.533 5.933 ( 31.296 0.000 0.000) 31.296 5.947 ( 22.078 0.000 0.000) 22.078 6.206 ( 12.838 0.000 0.000) 12.838 6.249 ( 9.140 0.000 0.000) 9.140 6.412 ( 0.724 0.000 0.000) 0.724 6.417 ( 12.054 0.000 0.000) 12.054 6.541 ( -4.623 0.000 0.000) 4.623 6.754 ( 2.645 0.000 0.000) 2.645 6.767 ( 19.137 0.000 0.000) 19.137 6.991 ( -3.344 0.000 0.000) 3.344 7.288 ( 15.350 0.000 0.000) 15.350 7.374 ( 3.250 0.000 0.000) 3.250 7.795 ( 8.372 0.000 0.000) 8.372 8.013 ( -0.545 0.000 0.000) 0.545 8.049 ( 27.813 0.000 0.000) 27.813 8.053 ( 13.384 0.000 0.000) 13.384 8.097 ( 15.355 0.000 0.000) 15.355 8.282 ( -17.505 0.000 0.000) 17.505 8.366 ( 12.419 0.000 0.000) 12.419 8.404 ( 0.723 0.000 0.000) 0.723 8.425 ( -2.857 0.000 0.000) 2.857 8.465 ( 15.945 0.000 0.000) 15.945 9.145 ( -20.678 0.000 0.000) 20.678 9.294 ( -4.098 0.000 0.000) 4.098 9.497 ( 4.108 0.000 0.000) 4.108 9.546 ( -21.536 0.000 0.000) 21.536 9.994 ( -7.605 0.000 0.000) 7.605 10.011 ( 3.520 0.000 0.000) 3.520 10.041 ( -11.591 0.000 0.000) 11.591 10.192 ( -14.402 0.000 0.000) 14.402 10.230 ( 3.549 0.000 0.000) 3.549 10.568 ( 3.949 0.000 0.000) 3.949 10.616 ( -11.627 0.000 0.000) 11.627 10.714 ( -15.203 0.000 0.000) 15.203 10.856 ( -7.006 0.000 0.000) 7.006 10.898 ( -5.309 0.000 0.000) 5.309 11.104 ( -1.712 0.000 0.000) 1.712 11.332 ( -6.612 0.000 0.000) 6.612 11.398 ( -6.370 0.000 0.000) 6.370 11.666 ( -15.094 0.000 0.000) 15.094 11.690 ( -17.762 0.000 0.000) 17.762 11.748 ( 1.078 0.000 0.000) 1.078 11.905 ( 8.442 0.000 0.000) 8.442 11.956 ( -6.972 0.000 0.000) 6.972 12.045 ( 3.415 0.000 0.000) 3.415 12.231 ( 10.064 0.000 0.000) 10.064 12.268 ( -11.165 0.000 0.000) 11.165 12.392 ( 4.604 0.000 0.000) 4.604 12.796 ( -8.329 0.000 0.000) 8.329 13.120 ( 10.909 0.000 0.000) 10.909 13.252 ( 2.177 0.000 0.000) 2.177 13.317 ( -6.128 0.000 0.000) 6.128 13.350 ( 2.266 0.000 0.000) 2.266 13.387 ( 0.312 0.000 0.000) 0.312 13.410 ( -17.208 0.000 0.000) 17.208 13.550 ( -8.881 0.000 0.000) 8.881 13.576 ( -5.181 0.000 0.000) 5.181 13.673 ( 0.489 0.000 0.000) 0.489 13.739 ( -4.655 0.000 0.000) 4.655 13.939 ( -6.344 0.000 0.000) 6.344 13.941 ( 3.345 0.000 0.000) 3.345 14.416 ( 9.069 0.000 0.000) 9.069 14.430 ( -10.243 0.000 0.000) 10.243 14.454 ( 11.437 0.000 0.000) 11.437 14.525 ( 0.398 0.000 0.000) 0.398 14.568 ( -0.925 0.000 0.000) 0.925 14.688 ( -11.534 0.000 0.000) 11.534 14.817 ( -4.398 0.000 0.000) 4.398 15.168 ( -8.830 0.000 0.000) 8.830 15.249 ( -13.972 0.000 0.000) 13.972 15.492 ( 3.453 0.000 0.000) 3.453 16.077 ( -21.569 0.000 0.000) 21.569 16.137 ( -21.064 0.000 0.000) 21.064 16.335 ( -20.631 0.000 0.000) 20.631 16.382 ( -21.728 0.000 0.000) 21.728 16.835 ( -15.916 0.000 0.000) 15.916 16.904 ( -20.035 0.000 0.000) 20.035 20.272 ( 13.963 0.000 0.000) 13.963 20.500 ( 2.008 0.000 0.000) 2.008 20.709 ( 6.273 0.000 0.000) 6.273 21.223 ( -0.531 0.000 0.000) 0.531 21.864 ( -0.323 0.000 0.000) 0.323 22.088 ( 4.552 0.000 0.000) 4.552 22.340 ( 6.035 0.000 0.000) 6.035 22.813 ( -7.521 0.000 0.000) 7.521 23.333 ( -2.073 0.000 0.000) 2.073 23.657 ( 1.429 0.000 0.000) 1.429 24.039 ( 1.573 0.000 0.000) 1.573 24.115 ( 0.059 0.000 0.000) 0.059 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 2.867 0.000 0.000) 2.867 2.484 ( -5.518 0.000 0.000) 5.518 2.652 ( 10.296 0.000 0.000) 10.296 2.668 ( 8.595 0.000 0.000) 8.595 2.683 ( -1.289 0.000 0.000) 1.289 3.054 ( 13.659 0.000 0.000) 13.659 3.256 ( -17.890 0.000 0.000) 17.890 3.457 ( 4.305 0.000 0.000) 4.305 3.534 ( 5.757 0.000 0.000) 5.757 3.778 ( -2.892 0.000 0.000) 2.892 3.824 ( 2.002 0.000 0.000) 2.002 3.878 ( -6.050 0.000 0.000) 6.050 4.859 ( 32.657 0.000 0.000) 32.657 5.274 ( 31.395 0.000 0.000) 31.395 5.326 ( 25.584 0.000 0.000) 25.584 5.698 ( 24.465 0.000 0.000) 24.465 5.855 ( 7.527 0.000 0.000) 7.527 6.147 ( 9.855 0.000 0.000) 9.855 6.250 ( 4.916 0.000 0.000) 4.916 6.342 ( 0.740 0.000 0.000) 0.740 6.435 ( 2.236 0.000 0.000) 2.236 6.470 ( -1.379 0.000 0.000) 1.379 6.493 ( 15.741 0.000 0.000) 15.741 6.591 ( 33.691 0.000 0.000) 33.691 6.598 ( 21.184 0.000 0.000) 21.184 6.887 ( -1.594 0.000 0.000) 1.594 6.937 ( 16.841 0.000 0.000) 16.841 6.943 ( 43.792 0.000 0.000) 43.792 7.211 ( 20.651 0.000 0.000) 20.651 7.364 ( -4.366 0.000 0.000) 4.366 7.757 ( 27.683 0.000 0.000) 27.683 7.965 ( 8.612 0.000 0.000) 8.612 7.972 ( -12.860 0.000 0.000) 12.860 8.030 ( -0.628 0.000 0.000) 0.628 8.218 ( 10.293 0.000 0.000) 10.293 8.299 ( 5.288 0.000 0.000) 5.288 8.338 ( -4.108 0.000 0.000) 4.108 8.457 ( 3.351 0.000 0.000) 3.351 8.596 ( 24.076 0.000 0.000) 24.076 8.613 ( 4.543 0.000 0.000) 4.543 8.778 ( -10.956 0.000 0.000) 10.956 8.915 ( 23.286 0.000 0.000) 23.286 9.222 ( -8.555 0.000 0.000) 8.555 9.232 ( -0.983 0.000 0.000) 0.983 9.519 ( -3.220 0.000 0.000) 3.220 9.755 ( -16.504 0.000 0.000) 16.504 9.815 ( -21.299 0.000 0.000) 21.299 9.815 ( -22.620 0.000 0.000) 22.620 9.936 ( 0.631 0.000 0.000) 0.631 10.261 ( -21.034 0.000 0.000) 21.034 10.297 ( 4.390 0.000 0.000) 4.390 10.401 ( -15.742 0.000 0.000) 15.742 10.496 ( -19.273 0.000 0.000) 19.273 10.796 ( -5.629 0.000 0.000) 5.629 10.826 ( 11.174 0.000 0.000) 11.174 11.114 ( 1.752 0.000 0.000) 1.752 11.290 ( -6.225 0.000 0.000) 6.225 11.341 ( 6.431 0.000 0.000) 6.431 11.447 ( -7.250 0.000 0.000) 7.250 11.525 ( 3.086 0.000 0.000) 3.086 11.687 ( -6.171 0.000 0.000) 6.171 11.698 ( -8.760 0.000 0.000) 8.760 12.027 ( -5.088 0.000 0.000) 5.088 12.089 ( 2.401 0.000 0.000) 2.401 12.308 ( 14.458 0.000 0.000) 14.458 12.441 ( -1.541 0.000 0.000) 1.541 12.498 ( 12.543 0.000 0.000) 12.543 12.620 ( -5.762 0.000 0.000) 5.762 12.865 ( -22.379 0.000 0.000) 22.379 13.282 ( -7.199 0.000 0.000) 7.199 13.308 ( -3.004 0.000 0.000) 3.004 13.314 ( -6.875 0.000 0.000) 6.875 13.348 ( -1.134 0.000 0.000) 1.134 13.380 ( -0.760 0.000 0.000) 0.760 13.439 ( 14.942 0.000 0.000) 14.942 13.501 ( -0.795 0.000 0.000) 0.795 13.646 ( -5.173 0.000 0.000) 5.173 13.689 ( 0.401 0.000 0.000) 0.401 13.775 ( -8.269 0.000 0.000) 8.269 14.008 ( 2.680 0.000 0.000) 2.680 14.260 ( -6.882 0.000 0.000) 6.882 14.463 ( -4.727 0.000 0.000) 4.727 14.507 ( -3.616 0.000 0.000) 3.616 14.548 ( 2.597 0.000 0.000) 2.597 14.608 ( 3.333 0.000 0.000) 3.333 14.710 ( 11.291 0.000 0.000) 11.291 14.770 ( 0.383 0.000 0.000) 0.383 14.986 ( -9.170 0.000 0.000) 9.170 15.171 ( 7.482 0.000 0.000) 7.482 15.582 ( 5.995 0.000 0.000) 5.995 15.607 ( -23.183 0.000 0.000) 23.183 15.745 ( -17.592 0.000 0.000) 17.592 15.889 ( -21.930 0.000 0.000) 21.930 15.914 ( -23.955 0.000 0.000) 23.955 16.456 ( -24.001 0.000 0.000) 24.001 16.486 ( -18.613 0.000 0.000) 18.613 20.534 ( 11.667 0.000 0.000) 11.667 20.611 ( 8.185 0.000 0.000) 8.185 20.805 ( 2.934 0.000 0.000) 2.934 21.154 ( -6.133 0.000 0.000) 6.133 21.899 ( 3.574 0.000 0.000) 3.574 22.126 ( -0.461 0.000 0.000) 0.461 22.455 ( 5.273 0.000 0.000) 5.273 22.699 ( -4.190 0.000 0.000) 4.190 23.318 ( 0.931 0.000 0.000) 0.931 23.619 ( -4.592 0.000 0.000) 4.592 24.065 ( 1.036 0.000 0.000) 1.036 24.111 ( -0.460 0.000 0.000) 0.460 ======================= Grid point 5 (6/60) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 2.135 0.000 0.000) 2.135 2.392 ( -2.801 0.000 0.000) 2.801 2.692 ( 2.312 0.000 0.000) 2.312 2.738 ( -0.650 0.000 0.000) 0.650 2.793 ( 4.930 0.000 0.000) 4.930 2.944 ( -11.653 0.000 0.000) 11.653 3.309 ( 11.110 0.000 0.000) 11.110 3.490 ( -6.789 0.000 0.000) 6.789 3.578 ( 7.572 0.000 0.000) 7.572 3.738 ( -7.817 0.000 0.000) 7.817 3.790 ( 2.077 0.000 0.000) 2.077 3.827 ( -1.260 0.000 0.000) 1.260 5.460 ( 25.475 0.000 0.000) 25.475 5.671 ( 8.830 0.000 0.000) 8.830 5.672 ( 8.547 0.000 0.000) 8.547 5.831 ( -10.645 0.000 0.000) 10.645 6.113 ( 16.918 0.000 0.000) 16.918 6.272 ( 5.087 0.000 0.000) 5.087 6.304 ( -0.021 0.000 0.000) 0.021 6.332 ( -0.684 0.000 0.000) 0.684 6.394 ( -2.426 0.000 0.000) 2.426 6.399 ( -4.973 0.000 0.000) 4.973 6.677 ( 3.859 0.000 0.000) 3.859 6.734 ( -2.230 0.000 0.000) 2.230 7.050 ( 11.510 0.000 0.000) 11.510 7.228 ( -6.794 0.000 0.000) 6.794 7.362 ( 18.181 0.000 0.000) 18.181 7.391 ( 37.022 0.000 0.000) 37.022 7.518 ( 6.275 0.000 0.000) 6.275 7.666 ( 20.925 0.000 0.000) 20.925 7.802 ( -2.258 0.000 0.000) 2.258 7.911 ( -8.865 0.000 0.000) 8.865 8.120 ( 4.838 0.000 0.000) 4.838 8.175 ( -7.758 0.000 0.000) 7.758 8.245 ( 10.311 0.000 0.000) 10.311 8.350 ( -0.005 0.000 0.000) 0.005 8.469 ( -1.204 0.000 0.000) 1.204 8.535 ( -0.031 0.000 0.000) 0.031 8.576 ( 21.948 0.000 0.000) 21.948 8.793 ( 6.791 0.000 0.000) 6.791 8.864 ( 0.186 0.000 0.000) 0.186 9.220 ( 2.745 0.000 0.000) 2.745 9.244 ( 1.377 0.000 0.000) 1.377 9.262 ( -25.129 0.000 0.000) 25.129 9.302 ( 2.150 0.000 0.000) 2.150 9.400 ( -8.247 0.000 0.000) 8.247 9.434 ( -1.022 0.000 0.000) 1.022 9.477 ( -9.285 0.000 0.000) 9.285 9.922 ( -7.983 0.000 0.000) 7.983 9.937 ( 0.628 0.000 0.000) 0.628 10.066 ( -18.999 0.000 0.000) 18.999 10.092 ( -14.016 0.000 0.000) 14.016 10.460 ( 10.792 0.000 0.000) 10.792 10.659 ( -8.323 0.000 0.000) 8.323 11.067 ( 10.598 0.000 0.000) 10.598 11.148 ( 1.000 0.000 0.000) 1.000 11.219 ( -0.509 0.000 0.000) 0.509 11.313 ( -7.466 0.000 0.000) 7.466 11.446 ( 3.031 0.000 0.000) 3.031 11.545 ( -6.919 0.000 0.000) 6.919 11.670 ( 9.038 0.000 0.000) 9.038 11.771 ( 16.178 0.000 0.000) 16.178 11.850 ( -8.928 0.000 0.000) 8.928 12.187 ( -22.012 0.000 0.000) 22.012 12.228 ( 7.819 0.000 0.000) 7.819 12.397 ( -9.113 0.000 0.000) 9.113 12.546 ( 7.471 0.000 0.000) 7.471 12.618 ( -3.018 0.000 0.000) 3.018 12.864 ( 15.528 0.000 0.000) 15.528 13.117 ( -2.671 0.000 0.000) 2.671 13.125 ( -10.963 0.000 0.000) 10.963 13.192 ( -7.314 0.000 0.000) 7.314 13.381 ( 1.775 0.000 0.000) 1.775 13.448 ( 6.690 0.000 0.000) 6.690 13.465 ( -5.215 0.000 0.000) 5.215 13.579 ( -5.347 0.000 0.000) 5.347 13.592 ( 2.176 0.000 0.000) 2.176 13.662 ( -3.170 0.000 0.000) 3.170 13.816 ( 15.129 0.000 0.000) 15.129 14.026 ( -2.221 0.000 0.000) 2.221 14.159 ( -2.478 0.000 0.000) 2.478 14.244 ( -12.301 0.000 0.000) 12.301 14.525 ( 5.114 0.000 0.000) 5.114 14.613 ( 0.788 0.000 0.000) 0.788 14.768 ( 9.374 0.000 0.000) 9.374 14.825 ( 3.361 0.000 0.000) 3.361 14.836 ( -2.565 0.000 0.000) 2.565 14.881 ( 1.854 0.000 0.000) 1.854 15.266 ( -5.809 0.000 0.000) 5.809 15.355 ( 1.953 0.000 0.000) 1.953 15.405 ( -14.094 0.000 0.000) 14.094 15.482 ( -16.680 0.000 0.000) 16.680 15.625 ( 5.198 0.000 0.000) 5.198 15.791 ( 13.281 0.000 0.000) 13.281 15.977 ( -22.812 0.000 0.000) 22.812 16.112 ( -18.062 0.000 0.000) 18.062 20.725 ( 7.189 0.000 0.000) 7.189 20.799 ( 10.055 0.000 0.000) 10.055 20.816 ( -1.939 0.000 0.000) 1.939 20.996 ( -9.221 0.000 0.000) 9.221 21.989 ( 4.972 0.000 0.000) 4.972 22.081 ( -3.781 0.000 0.000) 3.781 22.550 ( 4.229 0.000 0.000) 4.229 22.626 ( -3.484 0.000 0.000) 3.484 23.378 ( 4.892 0.000 0.000) 4.892 23.500 ( -6.702 0.000 0.000) 6.702 24.083 ( 0.807 0.000 0.000) 0.807 24.098 ( -0.737 0.000 0.000) 0.737 ======================= Grid point 11 (7/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 45.300 0.000) 45.300 1.016 ( 0.000 45.566 0.000) 45.566 1.319 ( 0.000 -4.798 0.000) 4.798 1.802 ( 0.000 85.476 0.000) 85.476 2.132 ( 0.000 26.243 0.000) 26.243 2.434 ( 0.000 32.432 0.000) 32.432 2.462 ( 0.000 8.060 0.000) 8.060 2.570 ( 0.000 -0.440 0.000) 0.440 3.041 ( 0.000 2.457 0.000) 2.457 3.396 ( 0.000 18.869 0.000) 18.869 3.555 ( 0.000 -4.895 0.000) 4.895 3.562 ( 0.000 -4.075 0.000) 4.075 3.755 ( 0.000 23.665 0.000) 23.665 4.158 ( 0.000 18.441 0.000) 18.441 4.279 ( 0.000 11.727 0.000) 11.727 4.403 ( 0.000 9.907 0.000) 9.907 4.478 ( 0.000 4.035 0.000) 4.035 4.979 ( 0.000 19.174 0.000) 19.174 5.099 ( 0.000 31.268 0.000) 31.268 5.121 ( 0.000 28.750 0.000) 28.750 5.318 ( 0.000 18.791 0.000) 18.791 5.402 ( 0.000 10.170 0.000) 10.170 5.977 ( 0.000 9.485 0.000) 9.485 6.277 ( 0.000 15.659 0.000) 15.659 6.303 ( 0.000 2.316 0.000) 2.316 6.474 ( 0.000 14.788 0.000) 14.788 6.495 ( 0.000 7.430 0.000) 7.430 6.909 ( 0.000 13.807 0.000) 13.807 6.939 ( 0.000 12.968 0.000) 12.968 7.119 ( 0.000 15.080 0.000) 15.080 7.157 ( 0.000 3.529 0.000) 3.529 7.342 ( 0.000 -0.291 0.000) 0.291 7.486 ( 0.000 13.689 0.000) 13.689 7.596 ( 0.000 21.554 0.000) 21.554 7.756 ( 0.000 8.811 0.000) 8.811 7.868 ( 0.000 -1.261 0.000) 1.261 7.932 ( 0.000 10.054 0.000) 10.054 8.452 ( 0.000 -2.251 0.000) 2.251 8.699 ( 0.000 4.260 0.000) 4.260 8.894 ( 0.000 21.859 0.000) 21.859 8.944 ( 0.000 -8.697 0.000) 8.697 9.105 ( 0.000 -3.814 0.000) 3.814 9.313 ( 0.000 10.376 0.000) 10.376 9.725 ( 0.000 -1.565 0.000) 1.565 9.734 ( 0.000 15.231 0.000) 15.231 9.989 ( 0.000 -9.554 0.000) 9.554 10.096 ( 0.000 -19.059 0.000) 19.059 10.495 ( 0.000 -12.152 0.000) 12.152 10.572 ( 0.000 -2.169 0.000) 2.169 10.708 ( 0.000 0.145 0.000) 0.145 10.713 ( 0.000 -16.429 0.000) 16.429 10.827 ( 0.000 5.728 0.000) 5.728 10.915 ( 0.000 -15.058 0.000) 15.058 11.139 ( 0.000 -6.006 0.000) 6.006 11.185 ( 0.000 -7.786 0.000) 7.786 11.190 ( 0.000 8.942 0.000) 8.942 11.530 ( 0.000 -4.741 0.000) 4.741 11.538 ( 0.000 8.321 0.000) 8.321 11.592 ( 0.000 -1.958 0.000) 1.958 11.762 ( 0.000 -7.080 0.000) 7.080 11.872 ( 0.000 -8.877 0.000) 8.877 11.958 ( 0.000 -6.695 0.000) 6.695 12.172 ( 0.000 -8.472 0.000) 8.472 12.410 ( 0.000 -4.158 0.000) 4.158 12.459 ( 0.000 -2.622 0.000) 2.622 12.533 ( 0.000 -5.704 0.000) 5.704 12.600 ( 0.000 -0.772 0.000) 0.772 12.751 ( 0.000 0.654 0.000) 0.654 12.866 ( 0.000 8.752 0.000) 8.752 12.930 ( 0.000 -8.732 0.000) 8.732 13.206 ( 0.000 -8.971 0.000) 8.971 13.346 ( 0.000 -0.825 0.000) 0.825 13.447 ( 0.000 3.005 0.000) 3.005 13.644 ( 0.000 -4.425 0.000) 4.425 13.786 ( 0.000 0.714 0.000) 0.714 13.841 ( 0.000 -13.150 0.000) 13.150 13.884 ( 0.000 -4.292 0.000) 4.292 13.959 ( 0.000 -3.845 0.000) 3.845 14.067 ( 0.000 2.540 0.000) 2.540 14.075 ( 0.000 -1.970 0.000) 1.970 14.266 ( 0.000 -11.202 0.000) 11.202 14.321 ( 0.000 6.509 0.000) 6.509 14.414 ( 0.000 4.487 0.000) 4.487 14.870 ( 0.000 -2.433 0.000) 2.433 14.930 ( 0.000 -11.519 0.000) 11.519 15.109 ( 0.000 -4.934 0.000) 4.934 15.121 ( 0.000 -8.048 0.000) 8.048 15.598 ( 0.000 4.199 0.000) 4.199 15.764 ( 0.000 11.190 0.000) 11.190 16.217 ( 0.000 -6.504 0.000) 6.504 16.261 ( 0.000 5.317 0.000) 5.317 16.489 ( 0.000 -1.838 0.000) 1.838 16.893 ( 0.000 -5.608 0.000) 5.608 17.079 ( 0.000 3.049 0.000) 3.049 17.325 ( 0.000 -5.158 0.000) 5.158 17.524 ( 0.000 -2.501 0.000) 2.501 19.838 ( 0.000 10.404 0.000) 10.404 20.206 ( 0.000 7.158 0.000) 7.158 21.052 ( 0.000 0.779 0.000) 0.779 21.202 ( 0.000 -6.179 0.000) 6.179 21.442 ( 0.000 5.821 0.000) 5.821 21.976 ( 0.000 -1.414 0.000) 1.414 22.042 ( 0.000 8.051 0.000) 8.051 23.184 ( 0.000 2.040 0.000) 2.040 23.204 ( 0.000 -9.957 0.000) 9.957 23.276 ( 0.000 -0.013 0.000) 0.013 23.426 ( 0.000 -2.052 0.000) 2.052 24.097 ( 0.000 0.197 0.000) 0.197 ======================= Grid point 12 (8/60) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 22.744 27.484 0.000) 35.674 1.347 ( 28.888 24.270 0.000) 37.730 1.673 ( 30.233 -4.653 0.000) 30.589 1.961 ( 0.644 13.936 0.000) 13.951 2.458 ( 3.728 24.531 0.000) 24.812 2.496 ( 48.251 61.516 0.000) 78.182 2.596 ( 10.786 3.391 0.000) 11.307 2.647 ( -10.945 15.659 0.000) 19.104 3.113 ( 5.912 0.557 0.000) 5.938 3.129 ( 7.484 18.504 0.000) 19.960 3.601 ( 2.926 1.470 0.000) 3.275 3.716 ( 12.726 -6.579 0.000) 14.326 3.956 ( -3.608 26.474 0.000) 26.718 4.039 ( 14.901 20.609 0.000) 25.432 4.254 ( 14.162 8.390 0.000) 16.461 4.586 ( 22.575 17.271 0.000) 28.424 4.763 ( -9.942 27.190 0.000) 28.951 4.814 ( 2.389 0.940 0.000) 2.568 5.134 ( 6.236 -2.082 0.000) 6.574 5.360 ( 10.173 15.149 0.000) 18.248 5.554 ( 11.114 7.351 0.000) 13.326 5.612 ( 22.918 24.852 0.000) 33.806 5.980 ( 1.341 7.518 0.000) 7.637 5.982 ( -9.922 12.113 0.000) 15.659 6.371 ( 7.988 17.653 0.000) 19.376 6.506 ( 3.100 13.621 0.000) 13.970 6.749 ( 7.781 12.766 0.000) 14.950 6.939 ( -8.725 10.840 0.000) 13.915 6.997 ( 4.931 10.592 0.000) 11.684 7.123 ( 18.815 -0.814 0.000) 18.832 7.262 ( 8.517 4.978 0.000) 9.865 7.447 ( -5.048 11.982 0.000) 13.002 7.503 ( 11.396 5.076 0.000) 12.475 7.595 ( 3.989 21.484 0.000) 21.851 7.642 ( -7.126 10.408 0.000) 12.614 7.971 ( 8.407 3.002 0.000) 8.927 8.040 ( 6.978 6.536 0.000) 9.561 8.416 ( -1.984 2.228 0.000) 2.983 8.638 ( -5.812 2.420 0.000) 6.296 8.758 ( -9.457 17.619 0.000) 19.996 8.984 ( -11.231 -1.511 0.000) 11.332 9.042 ( 7.706 -9.025 0.000) 11.867 9.423 ( 5.303 8.316 0.000) 9.863 9.730 ( 2.514 -0.082 0.000) 2.516 9.844 ( 5.944 0.299 0.000) 5.951 9.845 ( -13.240 -7.117 0.000) 15.032 10.081 ( -2.502 -19.145 0.000) 19.308 10.359 ( -10.093 -13.196 0.000) 16.613 10.372 ( -19.161 -8.605 0.000) 21.005 10.465 ( -18.543 -7.985 0.000) 20.190 10.711 ( 6.377 0.323 0.000) 6.385 10.817 ( -1.284 4.622 0.000) 4.797 11.062 ( 5.249 -12.110 0.000) 13.199 11.125 ( -1.528 5.407 0.000) 5.619 11.140 ( -3.739 7.574 0.000) 8.446 11.264 ( 1.445 -0.851 0.000) 1.677 11.378 ( -3.355 -3.479 0.000) 4.833 11.483 ( -3.701 -5.334 0.000) 6.493 11.700 ( -6.896 -10.465 0.000) 12.533 11.701 ( 6.700 3.709 0.000) 7.658 11.780 ( -9.003 -14.675 0.000) 17.216 12.046 ( 1.445 0.604 0.000) 1.566 12.093 ( -3.524 -8.846 0.000) 9.522 12.277 ( -10.272 -2.349 0.000) 10.537 12.307 ( -7.923 -3.575 0.000) 8.692 12.659 ( 8.341 -5.758 0.000) 10.136 12.668 ( -6.891 1.293 0.000) 7.011 12.765 ( -7.829 6.855 0.000) 10.406 12.797 ( 10.166 -4.207 0.000) 11.002 13.025 ( 6.572 -7.470 0.000) 9.950 13.290 ( 1.311 -4.705 0.000) 4.884 13.320 ( 2.422 -3.329 0.000) 4.117 13.443 ( -0.315 3.768 0.000) 3.781 13.615 ( -5.000 6.453 0.000) 8.163 13.681 ( -13.459 2.595 0.000) 13.706 13.741 ( -3.467 -0.439 0.000) 3.495 13.872 ( 0.529 -11.513 0.000) 11.525 13.887 ( -0.686 -4.556 0.000) 4.608 13.934 ( -11.345 -6.811 0.000) 13.233 14.066 ( 6.060 -0.444 0.000) 6.077 14.127 ( -5.022 11.063 0.000) 12.149 14.183 ( -8.795 -4.818 0.000) 10.028 14.446 ( 1.104 0.725 0.000) 1.321 14.816 ( -3.156 -4.663 0.000) 5.631 14.910 ( -0.682 -5.045 0.000) 5.091 14.963 ( -11.055 -2.625 0.000) 11.362 15.223 ( 7.305 -4.274 0.000) 8.463 15.474 ( -20.050 8.969 0.000) 21.965 15.550 ( -4.571 3.605 0.000) 5.821 16.014 ( -17.079 3.305 0.000) 17.396 16.375 ( 6.562 -2.429 0.000) 6.997 16.630 ( 5.544 -3.770 0.000) 6.704 16.783 ( -12.295 -9.606 0.000) 15.603 17.005 ( -6.601 4.828 0.000) 8.178 17.262 ( -6.490 -4.702 0.000) 8.014 17.440 ( -7.852 -2.376 0.000) 8.204 19.891 ( 5.313 8.663 0.000) 10.162 20.341 ( 4.422 -3.148 0.000) 5.428 20.981 ( -12.896 8.118 0.000) 15.238 21.085 ( 2.960 -0.489 0.000) 3.000 21.574 ( 11.353 -4.847 0.000) 12.344 21.956 ( -1.881 -0.776 0.000) 2.035 22.283 ( 9.060 9.309 0.000) 12.990 23.125 ( -7.117 -7.801 0.000) 10.560 23.184 ( 10.199 -9.014 0.000) 13.612 23.413 ( -1.471 -1.994 0.000) 2.478 23.740 ( 20.056 -9.205 0.000) 22.067 24.095 ( -0.242 -0.477 0.000) 0.535 ======================= Grid point 13 (9/60) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 34.533 -6.963 0.000) 35.228 1.891 ( 23.351 2.775 0.000) 23.515 2.121 ( 12.845 1.824 0.000) 12.974 2.259 ( 21.534 -0.070 0.000) 21.534 2.484 ( 3.426 18.017 0.000) 18.340 2.595 ( 9.192 9.763 0.000) 13.409 2.815 ( 9.894 -2.074 0.000) 10.109 3.259 ( 9.958 0.320 0.000) 9.963 3.440 ( 27.049 13.949 0.000) 30.434 3.563 ( 37.360 19.270 0.000) 42.037 3.652 ( 1.484 3.633 0.000) 3.925 3.841 ( 1.206 -1.810 0.000) 2.175 3.974 ( 2.567 3.700 0.000) 4.503 4.382 ( 18.658 11.328 0.000) 21.827 4.466 ( 4.419 16.687 0.000) 17.262 4.847 ( -1.484 3.990 0.000) 4.257 4.898 ( 31.836 0.909 0.000) 31.849 5.230 ( 33.416 12.859 0.000) 35.805 5.289 ( 19.740 19.824 0.000) 27.976 5.631 ( 17.211 13.942 0.000) 22.149 5.725 ( 10.229 9.696 0.000) 14.094 6.024 ( 10.377 2.492 0.000) 10.672 6.073 ( 12.304 5.596 0.000) 13.517 6.115 ( 18.806 15.732 0.000) 24.518 6.520 ( 5.330 15.255 0.000) 16.160 6.624 ( 9.967 14.015 0.000) 17.198 6.724 ( -7.287 8.179 0.000) 10.955 6.905 ( 1.349 13.489 0.000) 13.556 7.063 ( 0.048 4.668 0.000) 4.668 7.313 ( 1.820 -2.767 0.000) 3.312 7.344 ( -4.055 12.559 0.000) 13.198 7.506 ( 12.957 1.776 0.000) 13.078 7.686 ( 9.773 3.437 0.000) 10.360 7.787 ( 14.315 19.127 0.000) 23.891 7.797 ( 18.880 4.953 0.000) 19.519 8.144 ( 3.734 5.732 0.000) 6.841 8.162 ( 10.080 4.382 0.000) 10.992 8.393 ( -0.507 5.228 0.000) 5.252 8.484 ( -9.011 -2.521 0.000) 9.357 8.605 ( -3.760 15.819 0.000) 16.260 8.722 ( -12.445 5.668 0.000) 13.674 9.218 ( 7.566 -9.002 0.000) 11.759 9.446 ( -0.289 4.641 0.000) 4.650 9.509 ( -19.336 -5.455 0.000) 20.091 9.816 ( 3.723 -13.381 0.000) 13.889 9.837 ( -22.480 -13.541 0.000) 26.243 9.895 ( -1.327 -2.489 0.000) 2.821 10.033 ( -10.360 -15.351 0.000) 18.520 10.145 ( -10.197 -3.758 0.000) 10.867 10.252 ( -4.099 -14.191 0.000) 14.771 10.765 ( -1.437 2.491 0.000) 2.876 10.779 ( -2.037 5.356 0.000) 5.730 11.021 ( -6.885 0.850 0.000) 6.938 11.087 ( -14.308 0.059 0.000) 14.308 11.088 ( -2.319 13.475 0.000) 13.673 11.155 ( 2.800 0.748 0.000) 2.898 11.381 ( -7.170 -15.496 0.000) 17.074 11.425 ( 4.696 -9.397 0.000) 10.505 11.462 ( -16.158 -10.653 0.000) 19.354 11.714 ( 3.203 -9.577 0.000) 10.098 11.836 ( 3.857 -6.012 0.000) 7.143 11.929 ( -11.876 0.408 0.000) 11.883 11.952 ( -10.193 -0.291 0.000) 10.197 12.179 ( 2.605 3.820 0.000) 4.624 12.259 ( 3.844 -1.274 0.000) 4.050 12.472 ( -12.237 4.731 0.000) 13.119 12.568 ( -11.355 5.741 0.000) 12.724 12.819 ( 7.803 -8.003 0.000) 11.177 12.894 ( -0.827 -0.820 0.000) 1.165 13.148 ( 4.842 -7.562 0.000) 8.979 13.267 ( -1.231 2.233 0.000) 2.550 13.323 ( -2.780 -4.653 0.000) 5.421 13.445 ( 0.785 4.912 0.000) 4.974 13.566 ( -1.495 -4.370 0.000) 4.618 13.625 ( 2.682 -2.968 0.000) 4.000 13.643 ( -11.916 -10.859 0.000) 16.122 13.704 ( -5.695 1.514 0.000) 5.893 13.821 ( -6.612 -4.114 0.000) 7.787 13.907 ( 2.922 -7.169 0.000) 7.742 13.959 ( -11.065 -7.542 0.000) 13.391 14.107 ( 4.630 3.465 0.000) 5.783 14.261 ( 11.716 1.543 0.000) 11.817 14.444 ( -0.658 -3.152 0.000) 3.220 14.747 ( -9.386 2.848 0.000) 9.808 14.758 ( -3.688 5.512 0.000) 6.632 14.898 ( -0.824 0.116 0.000) 0.832 15.112 ( -14.736 9.519 0.000) 17.544 15.348 ( 2.122 2.711 0.000) 3.443 15.442 ( -3.375 0.638 0.000) 3.435 15.627 ( -20.439 2.262 0.000) 20.564 16.381 ( -7.552 -0.719 0.000) 7.586 16.422 ( -21.936 -12.441 0.000) 25.218 16.594 ( -8.858 -5.056 0.000) 10.199 16.793 ( -15.130 2.795 0.000) 15.386 17.083 ( -10.997 -3.447 0.000) 11.525 17.237 ( -12.213 -0.792 0.000) 12.239 20.046 ( 9.801 4.320 0.000) 10.710 20.338 ( -2.560 -8.620 0.000) 8.992 20.849 ( -0.701 13.703 0.000) 13.721 21.146 ( 2.448 -3.500 0.000) 4.272 21.779 ( 8.433 -10.311 0.000) 13.320 21.909 ( -2.497 0.503 0.000) 2.547 22.410 ( 5.167 12.984 0.000) 13.974 22.956 ( -8.886 -3.894 0.000) 9.702 23.369 ( -2.704 -1.687 0.000) 3.188 23.419 ( 10.440 -10.999 0.000) 15.164 23.975 ( 5.828 -2.481 0.000) 6.334 24.087 ( -0.654 -2.223 0.000) 2.317 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 6.255 -6.428 0.000) 8.969 2.265 ( 14.215 -7.768 0.000) 16.198 2.454 ( 15.729 5.251 0.000) 16.583 2.495 ( 4.640 -7.250 0.000) 8.608 2.677 ( -0.531 4.176 0.000) 4.209 2.888 ( 31.115 -13.479 0.000) 33.910 2.981 ( 4.939 7.876 0.000) 9.297 3.501 ( 11.705 7.840 0.000) 14.088 3.536 ( -11.404 -5.160 0.000) 12.517 3.695 ( 4.180 -2.179 0.000) 4.714 3.831 ( -4.325 -9.087 0.000) 10.063 4.018 ( 3.218 8.380 0.000) 8.977 4.164 ( 18.295 3.830 0.000) 18.691 4.740 ( 23.121 2.303 0.000) 23.236 4.927 ( 34.050 -3.503 0.000) 34.230 5.055 ( 25.944 24.414 0.000) 35.625 5.631 ( 35.148 -3.671 0.000) 35.339 5.780 ( 21.553 2.736 0.000) 21.726 5.796 ( 23.332 8.967 0.000) 24.996 6.035 ( 13.539 2.060 0.000) 13.695 6.057 ( 24.057 11.097 0.000) 26.493 6.277 ( 23.460 8.092 0.000) 24.816 6.311 ( 11.324 6.424 0.000) 13.019 6.466 ( 14.143 11.282 0.000) 18.091 6.607 ( -3.516 5.978 0.000) 6.935 6.629 ( 5.106 12.526 0.000) 13.527 6.838 ( -5.132 8.477 0.000) 9.909 6.874 ( 13.409 10.336 0.000) 16.930 7.020 ( -3.683 1.730 0.000) 4.069 7.320 ( 5.162 4.754 0.000) 7.018 7.394 ( 3.464 -1.636 0.000) 3.831 7.717 ( 7.107 -9.977 0.000) 12.249 7.847 ( 7.025 4.047 0.000) 8.108 7.993 ( -1.285 -9.159 0.000) 9.249 8.109 ( 8.247 5.502 0.000) 9.914 8.251 ( -2.163 3.334 0.000) 3.974 8.304 ( 13.701 5.930 0.000) 14.929 8.418 ( 3.512 3.339 0.000) 4.846 8.419 ( 4.773 0.892 0.000) 4.856 8.643 ( 7.409 16.503 0.000) 18.090 8.654 ( 11.802 17.223 0.000) 20.878 9.101 ( -20.879 -4.413 0.000) 21.340 9.206 ( -6.199 -6.224 0.000) 8.784 9.412 ( -17.364 -8.497 0.000) 19.331 9.567 ( 9.657 5.552 0.000) 11.139 9.733 ( -6.433 -21.577 0.000) 22.516 9.803 ( -12.686 -17.835 0.000) 21.886 9.968 ( 5.404 -12.002 0.000) 13.163 10.013 ( -6.948 -5.193 0.000) 8.674 10.129 ( -9.876 -8.242 0.000) 12.864 10.617 ( -14.949 0.880 0.000) 14.975 10.736 ( -2.597 3.308 0.000) 4.206 10.775 ( -13.161 -1.615 0.000) 13.260 10.912 ( -4.784 3.924 0.000) 6.188 10.997 ( -7.891 13.215 0.000) 15.392 11.154 ( -3.948 2.360 0.000) 4.600 11.154 ( -10.148 -15.091 0.000) 18.185 11.312 ( -0.206 -6.153 0.000) 6.156 11.528 ( 4.124 -12.523 0.000) 13.185 11.559 ( -11.957 -6.508 0.000) 13.613 11.658 ( -8.751 -2.413 0.000) 9.077 11.969 ( 10.818 -1.188 0.000) 10.883 11.971 ( 2.447 0.427 0.000) 2.484 12.164 ( -12.172 9.226 0.000) 15.274 12.310 ( -7.600 1.724 0.000) 7.793 12.350 ( 8.396 6.628 0.000) 10.697 12.355 ( -2.201 -2.631 0.000) 3.430 12.803 ( -7.194 1.862 0.000) 7.431 12.969 ( 4.843 -11.842 0.000) 12.794 13.179 ( -2.549 -7.336 0.000) 7.766 13.205 ( -4.423 -7.123 0.000) 8.385 13.283 ( -2.521 -3.249 0.000) 4.112 13.330 ( -13.251 -6.709 0.000) 14.852 13.471 ( 0.532 4.881 0.000) 4.910 13.530 ( 0.488 -2.155 0.000) 2.209 13.649 ( -4.503 3.351 0.000) 5.613 13.678 ( 1.031 -2.069 0.000) 2.311 13.689 ( -1.501 -2.418 0.000) 2.846 13.779 ( -7.703 -10.999 0.000) 13.428 13.958 ( 2.289 0.587 0.000) 2.363 14.293 ( 11.133 -5.633 0.000) 12.477 14.422 ( -2.360 -0.660 0.000) 2.450 14.468 ( 6.947 1.596 0.000) 7.128 14.628 ( -1.206 7.731 0.000) 7.824 14.660 ( -5.068 8.872 0.000) 10.217 14.871 ( -1.732 5.349 0.000) 5.623 14.903 ( -7.112 12.145 0.000) 14.074 15.225 ( -9.388 4.512 0.000) 10.417 15.259 ( -13.500 1.453 0.000) 13.578 15.493 ( 3.451 0.987 0.000) 3.590 15.975 ( -21.259 -12.966 0.000) 24.901 16.067 ( -21.765 -0.830 0.000) 21.781 16.330 ( -16.749 0.038 0.000) 16.749 16.427 ( -20.205 2.423 0.000) 20.349 16.823 ( -14.973 -1.517 0.000) 15.050 16.939 ( -17.651 2.433 0.000) 17.818 20.266 ( 11.701 -0.475 0.000) 11.711 20.326 ( 2.374 -10.964 0.000) 11.218 20.885 ( 2.892 11.085 0.000) 11.456 21.159 ( -1.629 -6.343 0.000) 6.549 21.872 ( -0.840 0.621 0.000) 1.045 21.907 ( 4.404 -12.492 0.000) 13.246 22.498 ( 3.542 10.176 0.000) 10.775 22.794 ( -6.979 -1.701 0.000) 7.183 23.319 ( -1.904 -1.318 0.000) 2.316 23.557 ( 3.142 -8.840 0.000) 9.382 24.034 ( 0.893 -1.041 0.000) 1.372 24.070 ( -1.005 -4.316 0.000) 4.431 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 4.378 -5.403 0.000) 6.954 2.441 ( 0.451 -8.973 0.000) 8.984 2.531 ( 4.904 -3.435 0.000) 5.987 2.656 ( -1.591 -6.683 0.000) 6.870 2.687 ( 7.096 1.597 0.000) 7.273 3.075 ( 6.714 7.344 0.000) 9.951 3.142 ( -15.171 -7.513 0.000) 16.930 3.484 ( 14.756 -12.125 0.000) 19.099 3.682 ( -9.662 -3.654 0.000) 10.330 3.691 ( 6.932 16.278 0.000) 17.693 3.781 ( 3.652 -3.932 0.000) 5.366 3.966 ( -2.373 7.855 0.000) 8.205 4.665 ( 29.750 -9.367 0.000) 31.190 5.268 ( 25.892 -6.399 0.000) 26.671 5.546 ( 24.662 -6.374 0.000) 25.472 5.607 ( 25.123 13.516 0.000) 28.528 6.011 ( 7.317 13.176 0.000) 15.071 6.100 ( 7.871 -4.775 0.000) 9.206 6.109 ( 0.768 -6.898 0.000) 6.940 6.317 ( 21.291 -10.894 0.000) 23.916 6.451 ( 1.594 1.181 0.000) 1.984 6.563 ( -4.051 5.626 0.000) 6.933 6.606 ( 16.242 8.399 0.000) 18.285 6.644 ( 7.468 8.325 0.000) 11.184 6.688 ( 16.771 9.340 0.000) 19.197 6.842 ( 10.875 -4.231 0.000) 11.669 6.880 ( -6.442 -0.161 0.000) 6.444 7.019 ( 33.612 4.010 0.000) 33.850 7.135 ( 10.114 -4.986 0.000) 11.276 7.399 ( -0.232 -0.349 0.000) 0.419 7.634 ( 20.575 -8.808 0.000) 22.381 7.834 ( -4.239 -11.405 0.000) 12.167 7.851 ( 6.192 -6.394 0.000) 8.900 7.970 ( 6.155 1.455 0.000) 6.325 8.238 ( -0.161 -9.141 0.000) 9.142 8.245 ( 7.298 4.319 0.000) 8.480 8.443 ( 3.335 4.160 0.000) 5.332 8.473 ( 2.328 6.548 0.000) 6.949 8.565 ( 2.415 4.627 0.000) 5.219 8.698 ( -18.281 -3.716 0.000) 18.655 8.892 ( 12.306 1.688 0.000) 12.421 9.005 ( 12.039 3.282 0.000) 12.478 9.130 ( 2.837 -9.078 0.000) 9.511 9.234 ( 2.147 10.142 0.000) 10.367 9.540 ( -13.434 -12.547 0.000) 18.382 9.572 ( -7.967 -11.993 0.000) 14.398 9.698 ( -11.173 -3.908 0.000) 11.837 9.793 ( -4.048 -0.241 0.000) 4.055 9.846 ( -16.257 -0.434 0.000) 16.262 10.071 ( 5.656 -12.408 0.000) 13.636 10.245 ( -18.996 1.375 0.000) 19.046 10.494 ( -15.689 1.699 0.000) 15.781 10.701 ( -5.016 -0.521 0.000) 5.043 10.808 ( -6.861 3.504 0.000) 7.704 10.822 ( -1.286 5.666 0.000) 5.810 11.068 ( -2.037 -6.690 0.000) 6.993 11.085 ( 1.285 -11.778 0.000) 11.848 11.318 ( 0.613 0.148 0.000) 0.631 11.453 ( -8.304 -0.813 0.000) 8.344 11.527 ( 8.937 -4.642 0.000) 10.071 11.659 ( 1.878 -1.949 0.000) 2.706 11.860 ( -12.793 11.815 0.000) 17.414 11.985 ( 0.214 -5.718 0.000) 5.722 12.097 ( -10.665 3.112 0.000) 11.110 12.252 ( 12.485 -4.017 0.000) 13.115 12.314 ( -5.964 -13.326 0.000) 14.600 12.533 ( 2.685 0.321 0.000) 2.704 12.677 ( 0.649 5.272 0.000) 5.311 12.822 ( -12.071 -3.378 0.000) 12.535 13.110 ( -3.243 -7.621 0.000) 8.282 13.168 ( -6.389 -7.165 0.000) 9.600 13.239 ( 6.110 -8.764 0.000) 10.684 13.250 ( 0.153 -4.313 0.000) 4.315 13.419 ( -4.139 0.212 0.000) 4.144 13.570 ( 1.481 5.100 0.000) 5.311 13.592 ( -2.144 -5.700 0.000) 6.090 13.646 ( -4.678 -1.636 0.000) 4.956 13.656 ( -2.670 -1.574 0.000) 3.099 13.742 ( 5.285 9.192 0.000) 10.603 14.016 ( 3.618 0.046 0.000) 3.618 14.312 ( -7.165 5.369 0.000) 8.954 14.420 ( 1.888 -4.890 0.000) 5.241 14.590 ( -0.712 11.892 0.000) 11.914 14.624 ( 1.319 4.365 0.000) 4.559 14.655 ( 1.110 3.436 0.000) 3.611 14.750 ( 0.899 3.766 0.000) 3.872 14.840 ( -1.232 5.133 0.000) 5.279 15.028 ( -9.727 3.576 0.000) 10.364 15.213 ( 4.929 2.014 0.000) 5.325 15.522 ( -2.786 -2.439 0.000) 3.702 15.622 ( -11.658 -7.060 0.000) 13.629 15.635 ( -16.707 3.506 0.000) 17.071 15.955 ( -19.287 6.296 0.000) 20.288 16.037 ( -16.692 7.886 0.000) 18.461 16.492 ( -17.597 0.437 0.000) 17.602 16.541 ( -21.540 6.231 0.000) 22.423 20.431 ( 7.562 -12.674 0.000) 14.758 20.493 ( 10.387 -3.858 0.000) 11.080 20.930 ( 1.122 7.447 0.000) 7.531 21.080 ( -5.901 -7.128 0.000) 9.254 21.879 ( 1.465 -2.071 0.000) 2.537 21.960 ( 1.033 -13.056 0.000) 13.096 22.551 ( 1.838 6.041 0.000) 6.315 22.682 ( -4.282 -1.655 0.000) 4.590 23.306 ( 0.943 -1.070 0.000) 1.427 23.554 ( -2.974 -6.050 0.000) 6.742 24.035 ( -0.417 -3.041 0.000) 3.069 24.049 ( -1.005 -5.866 0.000) 5.952 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 3.960 -2.612 0.000) 4.744 2.396 ( -2.780 -0.155 0.000) 2.784 2.637 ( 3.577 -14.208 0.000) 14.652 2.678 ( 5.561 -1.611 0.000) 5.789 2.732 ( -2.498 -5.102 0.000) 5.681 2.831 ( -12.236 -5.329 0.000) 13.347 3.248 ( 9.939 0.714 0.000) 9.965 3.462 ( -11.106 -1.382 0.000) 11.192 3.684 ( 5.160 -4.567 0.000) 6.891 3.743 ( -0.961 2.151 0.000) 2.356 3.871 ( 4.752 10.782 0.000) 11.782 3.938 ( -1.780 10.351 0.000) 10.503 5.299 ( 30.867 -12.195 0.000) 33.189 5.652 ( 7.287 -4.307 0.000) 8.465 5.830 ( 5.607 9.424 0.000) 10.966 5.901 ( -11.019 4.504 0.000) 11.904 6.043 ( 15.142 -7.216 0.000) 16.773 6.209 ( 1.170 -5.109 0.000) 5.241 6.229 ( 6.650 -6.546 0.000) 9.331 6.340 ( -8.924 -3.370 0.000) 9.539 6.388 ( -2.583 -0.983 0.000) 2.764 6.432 ( -5.170 -2.062 0.000) 5.566 6.767 ( 1.884 5.651 0.000) 5.957 6.792 ( -0.748 3.408 0.000) 3.489 6.917 ( 10.585 -9.579 0.000) 14.276 6.989 ( 12.098 -23.078 0.000) 26.057 7.056 ( 2.171 -6.438 0.000) 6.794 7.203 ( -4.010 -21.205 0.000) 21.581 7.560 ( 17.110 -6.264 0.000) 18.221 7.591 ( 16.086 2.610 0.000) 16.296 7.800 ( 6.812 -1.533 0.000) 6.982 7.844 ( -4.273 -0.698 0.000) 4.330 8.116 ( 3.911 -8.558 0.000) 9.409 8.127 ( 2.593 -0.838 0.000) 2.725 8.288 ( 14.264 -0.696 0.000) 14.281 8.443 ( -2.239 -7.092 0.000) 7.437 8.456 ( 3.922 1.618 0.000) 4.243 8.478 ( -2.024 8.061 0.000) 8.311 8.553 ( 13.964 -3.071 0.000) 14.298 8.564 ( 8.690 -4.373 0.000) 9.728 8.938 ( -8.535 -18.013 0.000) 19.933 9.106 ( -17.701 3.403 0.000) 18.025 9.115 ( -5.572 0.017 0.000) 5.572 9.140 ( -13.218 -9.151 0.000) 16.076 9.264 ( -6.090 -7.426 0.000) 9.604 9.342 ( -4.893 -2.331 0.000) 5.420 9.532 ( 1.910 3.140 0.000) 3.675 9.664 ( -6.484 9.023 0.000) 11.111 9.843 ( 10.019 3.199 0.000) 10.517 10.059 ( 3.429 10.425 0.000) 10.974 10.167 ( -14.549 4.542 0.000) 15.242 10.210 ( 1.919 4.632 0.000) 5.014 10.541 ( -2.951 6.257 0.000) 6.918 10.642 ( -8.775 0.823 0.000) 8.814 10.984 ( 10.616 -13.559 0.000) 17.221 11.070 ( 0.801 -9.765 0.000) 9.798 11.112 ( 0.965 -4.232 0.000) 4.341 11.248 ( -11.358 -5.149 0.000) 12.471 11.432 ( 10.378 -3.771 0.000) 11.042 11.609 ( -5.853 5.342 0.000) 7.924 11.668 ( -1.256 2.485 0.000) 2.784 11.798 ( 12.722 2.420 0.000) 12.950 11.824 ( -15.220 -8.207 0.000) 17.292 12.004 ( -3.420 -5.512 0.000) 6.487 12.197 ( -0.073 -6.842 0.000) 6.843 12.322 ( -7.465 -6.423 0.000) 9.848 12.549 ( 6.375 -1.786 0.000) 6.620 12.662 ( -5.268 0.305 0.000) 5.277 12.829 ( 8.579 -1.788 0.000) 8.763 13.007 ( -8.919 -4.474 0.000) 9.979 13.155 ( 7.124 -1.612 0.000) 7.304 13.276 ( -3.467 -8.456 0.000) 9.139 13.307 ( 6.193 -2.938 0.000) 6.855 13.412 ( 3.440 -1.469 0.000) 3.741 13.501 ( -10.211 7.691 0.000) 12.783 13.517 ( -5.678 7.823 0.000) 9.667 13.574 ( 1.396 -5.890 0.000) 6.053 13.618 ( -1.738 -3.686 0.000) 4.075 13.905 ( 10.203 6.666 0.000) 12.188 14.061 ( -1.922 1.086 0.000) 2.207 14.236 ( 0.398 7.222 0.000) 7.233 14.330 ( -9.675 7.778 0.000) 12.414 14.518 ( 4.079 1.469 0.000) 4.335 14.631 ( -3.544 1.918 0.000) 4.029 14.735 ( 5.901 -1.707 0.000) 6.143 14.818 ( -0.496 -1.100 0.000) 1.206 14.880 ( -3.453 1.737 0.000) 3.865 14.921 ( 2.198 4.532 0.000) 5.037 15.179 ( 1.854 -4.996 0.000) 5.329 15.400 ( -6.003 5.003 0.000) 7.815 15.439 ( -8.938 -2.630 0.000) 9.316 15.544 ( -8.514 14.668 0.000) 16.960 15.735 ( 10.399 8.137 0.000) 13.204 15.911 ( 5.614 9.554 0.000) 11.081 16.103 ( -21.475 9.131 0.000) 23.336 16.148 ( -15.820 3.445 0.000) 16.191 20.594 ( 7.466 -12.817 0.000) 14.833 20.648 ( 3.639 -7.596 0.000) 8.423 20.926 ( -0.958 3.670 0.000) 3.793 20.955 ( -5.061 -3.754 0.000) 6.301 21.919 ( 2.187 -6.688 0.000) 7.037 21.956 ( -1.230 -11.041 0.000) 11.110 22.581 ( 1.425 1.818 0.000) 2.310 22.617 ( -2.364 -1.078 0.000) 2.598 23.360 ( 4.245 -1.697 0.000) 4.572 23.462 ( -5.476 -3.496 0.000) 6.497 24.028 ( -0.117 -5.230 0.000) 5.231 24.032 ( -0.557 -6.245 0.000) 6.270 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 22.098 0.000) 22.098 1.736 ( 0.000 25.078 0.000) 25.078 1.811 ( 0.000 36.862 0.000) 36.862 2.490 ( 0.000 14.256 0.000) 14.256 2.729 ( 0.000 16.773 0.000) 16.773 2.761 ( 0.000 18.147 0.000) 18.147 2.994 ( 0.000 22.425 0.000) 22.425 3.044 ( 0.000 0.167 0.000) 0.167 3.394 ( 0.000 -8.797 0.000) 8.797 3.435 ( 0.000 -8.456 0.000) 8.456 3.552 ( 0.000 81.930 0.000) 81.930 3.688 ( 0.000 6.827 0.000) 6.827 4.447 ( 0.000 17.179 0.000) 17.179 4.596 ( 0.000 31.973 0.000) 31.973 4.640 ( 0.000 12.380 0.000) 12.380 4.649 ( 0.000 24.367 0.000) 24.367 4.739 ( 0.000 34.945 0.000) 34.945 5.494 ( 0.000 29.690 0.000) 29.690 5.630 ( 0.000 21.664 0.000) 21.664 5.679 ( 0.000 15.784 0.000) 15.784 5.727 ( 0.000 16.596 0.000) 16.596 5.830 ( 0.000 38.419 0.000) 38.419 6.402 ( 0.000 30.664 0.000) 30.664 6.430 ( 0.000 10.244 0.000) 10.244 6.706 ( 0.000 12.324 0.000) 12.324 6.716 ( 0.000 26.574 0.000) 26.574 6.861 ( 0.000 23.192 0.000) 23.192 7.241 ( 0.000 21.805 0.000) 21.805 7.266 ( 0.000 6.366 0.000) 6.366 7.275 ( 0.000 19.336 0.000) 19.336 7.388 ( 0.000 5.443 0.000) 5.443 7.581 ( 0.000 25.870 0.000) 25.870 7.845 ( 0.000 -0.468 0.000) 0.468 7.868 ( 0.000 23.197 0.000) 23.197 8.008 ( 0.000 15.880 0.000) 15.880 8.150 ( 0.000 10.547 0.000) 10.547 8.182 ( 0.000 33.504 0.000) 33.504 8.469 ( 0.000 4.091 0.000) 4.091 8.816 ( 0.000 7.063 0.000) 7.063 8.850 ( 0.000 0.265 0.000) 0.265 8.977 ( 0.000 -9.391 0.000) 9.391 9.344 ( 0.000 15.143 0.000) 15.143 9.481 ( 0.000 -32.093 0.000) 32.093 9.570 ( 0.000 13.013 0.000) 13.013 9.741 ( 0.000 8.696 0.000) 8.696 9.869 ( 0.000 -11.453 0.000) 11.453 10.008 ( 0.000 10.427 0.000) 10.427 10.131 ( 0.000 -21.923 0.000) 21.923 10.326 ( 0.000 -19.796 0.000) 19.796 10.497 ( 0.000 -5.334 0.000) 5.334 10.515 ( 0.000 -24.209 0.000) 24.209 10.707 ( 0.000 -0.386 0.000) 0.386 10.971 ( 0.000 8.009 0.000) 8.009 10.984 ( 0.000 -11.618 0.000) 11.618 10.997 ( 0.000 -7.664 0.000) 7.664 11.349 ( 0.000 1.834 0.000) 1.834 11.357 ( 0.000 -17.782 0.000) 17.782 11.430 ( 0.000 -1.845 0.000) 1.845 11.566 ( 0.000 -11.611 0.000) 11.611 11.662 ( 0.000 3.105 0.000) 3.105 11.695 ( 0.000 -12.907 0.000) 12.907 11.822 ( 0.000 -4.236 0.000) 4.236 11.999 ( 0.000 -8.549 0.000) 8.549 12.276 ( 0.000 -8.738 0.000) 8.738 12.363 ( 0.000 -11.418 0.000) 11.418 12.382 ( 0.000 -5.197 0.000) 5.197 12.584 ( 0.000 -1.252 0.000) 1.252 12.775 ( 0.000 -4.941 0.000) 4.941 12.784 ( 0.000 2.826 0.000) 2.826 13.037 ( 0.000 7.355 0.000) 7.355 13.051 ( 0.000 -4.842 0.000) 4.842 13.293 ( 0.000 -5.258 0.000) 5.258 13.454 ( 0.000 -13.660 0.000) 13.660 13.468 ( 0.000 -2.135 0.000) 2.135 13.568 ( 0.000 -10.516 0.000) 10.516 13.730 ( 0.000 -8.745 0.000) 8.745 13.776 ( 0.000 -6.108 0.000) 6.108 13.899 ( 0.000 -1.042 0.000) 1.042 13.952 ( 0.000 -10.985 0.000) 10.985 14.072 ( 0.000 -4.052 0.000) 4.052 14.138 ( 0.000 2.742 0.000) 2.742 14.444 ( 0.000 6.304 0.000) 6.304 14.539 ( 0.000 7.076 0.000) 7.076 14.615 ( 0.000 -17.821 0.000) 17.821 14.798 ( 0.000 -4.822 0.000) 4.822 14.995 ( 0.000 -0.974 0.000) 0.974 15.081 ( 0.000 2.241 0.000) 2.241 15.730 ( 0.000 8.738 0.000) 8.738 16.012 ( 0.000 13.075 0.000) 13.075 16.037 ( 0.000 -11.324 0.000) 11.324 16.378 ( 0.000 -9.657 0.000) 9.657 16.416 ( 0.000 9.760 0.000) 9.760 16.677 ( 0.000 -15.076 0.000) 15.076 17.153 ( 0.000 2.282 0.000) 2.282 17.163 ( 0.000 -10.816 0.000) 10.816 17.441 ( 0.000 -5.875 0.000) 5.875 20.094 ( 0.000 13.686 0.000) 13.686 20.378 ( 0.000 8.526 0.000) 8.526 21.058 ( 0.000 -6.629 0.000) 6.629 21.066 ( 0.000 0.483 0.000) 0.483 21.585 ( 0.000 7.616 0.000) 7.616 21.948 ( 0.000 -1.236 0.000) 1.236 22.285 ( 0.000 15.380 0.000) 15.380 22.985 ( 0.000 -9.651 0.000) 9.651 23.225 ( 0.000 1.414 0.000) 1.414 23.291 ( 0.000 1.943 0.000) 1.943 23.365 ( 0.000 -4.054 0.000) 4.054 24.085 ( 0.000 -1.936 0.000) 1.936 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 14.856 17.651 0.000) 23.070 1.754 ( 2.955 26.925 0.000) 27.086 1.975 ( 15.903 25.623 0.000) 30.157 2.289 ( -10.494 17.411 0.000) 20.329 2.771 ( 3.783 12.189 0.000) 12.763 2.824 ( 2.280 13.597 0.000) 13.787 2.890 ( -5.557 14.995 0.000) 15.991 3.169 ( 8.097 9.872 0.000) 12.768 3.499 ( 6.427 -3.603 0.000) 7.368 3.526 ( 7.306 -8.102 0.000) 10.910 3.550 ( -7.035 13.160 0.000) 14.922 3.835 ( 20.710 53.179 0.000) 57.069 4.364 ( -6.506 12.332 0.000) 13.944 4.623 ( 6.146 25.469 0.000) 26.200 4.690 ( 6.990 38.464 0.000) 39.094 4.785 ( 11.200 8.864 0.000) 14.283 5.012 ( 16.634 23.921 0.000) 29.136 5.398 ( -16.072 31.320 0.000) 35.203 5.446 ( 1.721 25.977 0.000) 26.034 5.748 ( 8.216 21.452 0.000) 22.971 5.803 ( 9.952 15.702 0.000) 18.590 6.012 ( 8.033 16.536 0.000) 18.384 6.272 ( -7.599 15.066 0.000) 16.874 6.410 ( 3.048 30.869 0.000) 31.019 6.807 ( 6.891 23.596 0.000) 24.581 6.870 ( 0.777 22.356 0.000) 22.369 6.939 ( 10.979 4.371 0.000) 11.817 7.148 ( -2.036 13.598 0.000) 13.749 7.245 ( -2.942 12.271 0.000) 12.619 7.309 ( -0.944 14.230 0.000) 14.261 7.434 ( 8.463 11.862 0.000) 14.571 7.696 ( 6.956 14.602 0.000) 16.174 7.726 ( -4.171 13.984 0.000) 14.593 7.913 ( -5.292 16.717 0.000) 17.535 8.087 ( 10.418 9.398 0.000) 14.030 8.171 ( 1.509 30.828 0.000) 30.865 8.218 ( 4.500 10.012 0.000) 10.977 8.503 ( 2.879 5.963 0.000) 6.621 8.696 ( -11.193 2.611 0.000) 11.494 8.915 ( 6.166 -0.992 0.000) 6.245 8.944 ( -3.128 -1.758 0.000) 3.588 9.167 ( -12.748 19.705 0.000) 23.469 9.476 ( -2.202 -26.195 0.000) 26.288 9.598 ( -2.323 -5.935 0.000) 6.373 9.700 ( -4.327 12.983 0.000) 13.685 9.793 ( -6.706 -10.999 0.000) 12.882 10.001 ( 0.550 7.388 0.000) 7.408 10.005 ( -8.824 -20.838 0.000) 22.629 10.134 ( -23.071 -14.730 0.000) 27.372 10.262 ( -8.670 -9.833 0.000) 13.109 10.666 ( 9.701 -5.006 0.000) 10.917 10.800 ( 1.846 -12.528 0.000) 12.663 10.885 ( -6.950 -9.575 0.000) 11.831 10.949 ( -3.017 -0.975 0.000) 3.171 11.106 ( 5.427 -8.263 0.000) 9.885 11.282 ( -4.684 -3.784 0.000) 6.021 11.362 ( -4.128 -11.208 0.000) 11.944 11.382 ( 0.218 -15.550 0.000) 15.551 11.388 ( 1.571 6.510 0.000) 6.696 11.635 ( -10.325 -8.824 0.000) 13.582 11.652 ( -8.974 -2.858 0.000) 9.418 11.993 ( 3.984 -2.331 0.000) 4.616 12.000 ( 8.881 -5.324 0.000) 10.354 12.171 ( -5.330 -9.712 0.000) 11.079 12.257 ( -9.629 -1.485 0.000) 9.743 12.487 ( 6.467 -11.734 0.000) 13.398 12.694 ( -4.281 2.071 0.000) 4.756 12.740 ( 9.100 -2.295 0.000) 9.385 12.833 ( 2.346 -1.534 0.000) 2.803 12.968 ( -3.887 4.271 0.000) 5.775 13.151 ( 8.082 -4.753 0.000) 9.376 13.256 ( -2.339 -5.308 0.000) 5.800 13.445 ( -3.679 -7.912 0.000) 8.725 13.467 ( 0.521 -10.141 0.000) 10.154 13.566 ( -1.182 -11.649 0.000) 11.708 13.650 ( -4.746 -5.447 0.000) 7.225 13.745 ( -3.200 -6.031 0.000) 6.827 13.867 ( -6.873 4.254 0.000) 8.083 13.886 ( -3.944 -2.298 0.000) 4.564 14.023 ( -8.334 -8.111 0.000) 11.629 14.123 ( 2.785 5.079 0.000) 5.792 14.318 ( -6.099 7.643 0.000) 9.779 14.441 ( -6.081 -4.039 0.000) 7.301 14.663 ( 6.304 -3.535 0.000) 7.228 14.919 ( 6.095 2.889 0.000) 6.745 14.949 ( -9.498 1.529 0.000) 9.621 15.099 ( 10.464 -6.457 0.000) 12.296 15.663 ( -6.272 7.522 0.000) 9.794 15.665 ( -19.477 8.429 0.000) 21.222 16.035 ( -15.598 -3.146 0.000) 15.912 16.336 ( 5.789 -1.494 0.000) 5.979 16.516 ( -15.592 -16.686 0.000) 22.837 16.540 ( 2.658 -2.795 0.000) 3.857 17.080 ( -7.919 1.555 0.000) 8.070 17.116 ( -5.004 -9.533 0.000) 10.767 17.361 ( -7.030 -5.478 0.000) 8.913 20.108 ( 1.465 11.751 0.000) 11.842 20.352 ( -4.004 2.952 0.000) 4.975 21.061 ( -0.598 -2.060 0.000) 2.145 21.065 ( 0.263 -0.548 0.000) 0.608 21.561 ( 0.640 4.654 0.000) 4.698 21.945 ( -0.441 -0.263 0.000) 0.513 22.516 ( 15.021 13.189 0.000) 19.989 22.957 ( -2.836 -7.310 0.000) 7.841 23.053 ( -1.679 -3.739 0.000) 4.099 23.354 ( -1.055 -3.721 0.000) 3.868 23.644 ( 18.314 -2.184 0.000) 18.444 24.068 ( -1.638 -2.511 0.000) 2.999 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 8.828 12.609 0.000) 15.392 1.990 ( 10.740 10.098 0.000) 14.742 2.218 ( 3.321 10.931 0.000) 11.424 2.335 ( 13.348 6.069 0.000) 14.663 2.811 ( -2.343 13.196 0.000) 13.403 2.828 ( 0.217 12.491 0.000) 12.492 2.856 ( 6.232 5.547 0.000) 8.343 3.377 ( 12.935 12.099 0.000) 17.711 3.504 ( 4.591 4.215 0.000) 6.232 3.561 ( -2.965 -13.951 0.000) 14.262 3.643 ( 3.466 -5.097 0.000) 6.164 4.170 ( 7.595 20.391 0.000) 21.759 4.287 ( 1.164 16.864 0.000) 16.904 4.748 ( 0.919 24.304 0.000) 24.321 4.886 ( 6.426 22.971 0.000) 23.853 5.013 ( 4.404 10.602 0.000) 11.480 5.106 ( 21.979 23.132 0.000) 31.908 5.512 ( 19.366 15.852 0.000) 25.027 5.688 ( 18.508 19.325 0.000) 26.758 5.985 ( 14.576 19.871 0.000) 24.644 6.020 ( 11.177 19.767 0.000) 22.708 6.151 ( 8.275 9.266 0.000) 12.423 6.236 ( 5.972 8.663 0.000) 10.522 6.555 ( 10.105 23.923 0.000) 25.969 6.883 ( 0.205 19.912 0.000) 19.913 6.940 ( -7.327 11.139 0.000) 13.333 6.945 ( 6.852 15.008 0.000) 16.498 7.171 ( -3.748 7.000 0.000) 7.940 7.186 ( 3.546 11.618 0.000) 12.147 7.281 ( -6.006 3.551 0.000) 6.977 7.640 ( -5.991 14.458 0.000) 15.650 7.671 ( 11.933 10.737 0.000) 16.053 7.761 ( 4.262 5.502 0.000) 6.960 7.963 ( 9.372 12.677 0.000) 15.766 8.018 ( -10.426 -3.060 0.000) 10.866 8.304 ( 4.008 9.536 0.000) 10.345 8.429 ( -12.773 -2.025 0.000) 12.932 8.445 ( 15.743 25.052 0.000) 29.588 8.526 ( -2.860 7.492 0.000) 8.020 8.875 ( -2.428 8.963 0.000) 9.286 8.961 ( -4.200 15.590 0.000) 16.146 9.076 ( 8.263 -3.586 0.000) 9.008 9.302 ( -14.582 -13.379 0.000) 19.790 9.446 ( -10.996 -17.689 0.000) 20.828 9.577 ( -6.115 6.923 0.000) 9.237 9.620 ( -14.260 -8.988 0.000) 16.856 9.704 ( -14.929 -14.710 0.000) 20.959 9.901 ( -0.725 -18.113 0.000) 18.128 9.962 ( -7.308 4.955 0.000) 8.829 10.079 ( -5.103 -2.889 0.000) 5.864 10.733 ( -3.397 -5.850 0.000) 6.765 10.773 ( -5.035 -13.866 0.000) 14.752 10.908 ( 5.774 -12.052 0.000) 13.364 10.922 ( 0.811 -4.210 0.000) 4.288 10.987 ( -9.731 -2.543 0.000) 10.058 11.219 ( -13.430 -12.296 0.000) 18.209 11.232 ( -8.714 -1.391 0.000) 8.824 11.357 ( -2.292 2.344 0.000) 3.278 11.387 ( -0.148 1.527 0.000) 1.534 11.528 ( -1.104 -7.083 0.000) 7.169 11.547 ( 2.755 -17.694 0.000) 17.907 11.934 ( -5.730 -3.860 0.000) 6.909 12.000 ( -8.481 4.735 0.000) 9.713 12.189 ( 1.507 -8.121 0.000) 8.259 12.212 ( 8.134 -2.921 0.000) 8.643 12.509 ( -11.029 0.513 0.000) 11.041 12.596 ( 5.275 -13.613 0.000) 14.599 12.699 ( -10.873 7.421 0.000) 13.164 12.923 ( 3.777 3.441 0.000) 5.109 13.041 ( 6.354 -1.882 0.000) 6.627 13.203 ( -4.293 -5.233 0.000) 6.768 13.283 ( 3.242 0.888 0.000) 3.362 13.306 ( -8.634 -16.326 0.000) 18.469 13.464 ( -0.950 -5.315 0.000) 5.399 13.525 ( -0.789 -9.753 0.000) 9.784 13.592 ( -3.813 0.680 0.000) 3.873 13.677 ( -3.148 -1.260 0.000) 3.391 13.728 ( -12.099 -10.369 0.000) 15.934 13.777 ( 3.968 0.478 0.000) 3.997 13.859 ( -3.090 5.494 0.000) 6.303 14.219 ( 1.883 5.425 0.000) 5.742 14.358 ( 11.287 6.737 0.000) 13.144 14.379 ( -0.897 -3.801 0.000) 3.906 14.768 ( 2.928 -2.357 0.000) 3.759 14.788 ( -5.726 0.959 0.000) 5.805 15.003 ( 2.407 8.014 0.000) 8.368 15.301 ( -16.024 8.421 0.000) 18.102 15.350 ( 12.560 -3.353 0.000) 13.000 15.506 ( -8.890 5.856 0.000) 10.646 15.657 ( -19.086 -0.803 0.000) 19.103 16.109 ( -22.582 -17.592 0.000) 28.626 16.388 ( -6.404 2.243 0.000) 6.786 16.469 ( -5.845 -6.631 0.000) 8.839 16.817 ( -17.524 -0.845 0.000) 17.545 16.972 ( -8.955 -7.459 0.000) 11.655 17.196 ( -9.546 -3.447 0.000) 10.149 20.160 ( 3.818 6.613 0.000) 7.636 20.226 ( -6.922 -2.620 0.000) 7.401 21.037 ( -1.969 -7.227 0.000) 7.490 21.069 ( 0.258 6.235 0.000) 6.241 21.615 ( 3.355 -4.179 0.000) 5.360 21.924 ( -1.722 0.836 0.000) 1.914 22.678 ( 2.027 13.036 0.000) 13.192 22.874 ( -5.316 -3.571 0.000) 6.404 23.181 ( 10.732 -11.179 0.000) 15.497 23.324 ( -1.844 -2.510 0.000) 3.114 23.913 ( 8.089 -3.455 0.000) 8.796 24.021 ( -2.968 -4.150 0.000) 5.102 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 3.232 -5.264 0.000) 6.177 2.158 ( 6.430 0.506 0.000) 6.450 2.380 ( -4.213 -2.978 0.000) 5.159 2.418 ( 15.127 -2.882 0.000) 15.399 2.814 ( -2.551 9.019 0.000) 9.372 2.834 ( 6.143 2.517 0.000) 6.638 3.094 ( 11.684 0.576 0.000) 11.698 3.366 ( -13.864 -10.288 0.000) 17.264 3.581 ( 4.162 1.425 0.000) 4.399 3.646 ( 4.331 -6.802 0.000) 8.064 3.761 ( 12.364 7.680 0.000) 14.555 4.234 ( 3.984 15.605 0.000) 16.105 4.320 ( -0.622 6.402 0.000) 6.432 4.841 ( 3.783 8.269 0.000) 9.093 4.869 ( 13.444 4.246 0.000) 14.098 5.470 ( 24.758 -7.992 0.000) 26.016 5.579 ( 21.951 18.711 0.000) 28.843 5.859 ( 14.943 4.876 0.000) 15.719 5.940 ( 5.839 6.077 0.000) 8.428 6.227 ( 8.894 11.486 0.000) 14.527 6.367 ( 18.772 12.530 0.000) 22.570 6.454 ( 20.055 8.861 0.000) 21.926 6.476 ( 16.682 11.650 0.000) 20.347 6.735 ( 6.603 10.105 0.000) 12.071 6.768 ( -7.189 9.405 0.000) 11.838 6.849 ( -6.433 8.816 0.000) 10.914 7.022 ( -1.350 0.945 0.000) 1.648 7.056 ( -11.041 10.988 0.000) 15.577 7.176 ( 5.637 16.656 0.000) 17.584 7.240 ( -0.245 -4.864 0.000) 4.870 7.471 ( -8.120 6.419 0.000) 10.351 7.761 ( -10.918 -9.474 0.000) 14.456 7.812 ( 6.935 13.901 0.000) 15.535 7.927 ( 6.002 2.850 0.000) 6.644 8.201 ( -9.340 -3.571 0.000) 9.999 8.228 ( 15.242 4.637 0.000) 15.932 8.378 ( 2.983 4.888 0.000) 5.726 8.418 ( -3.403 -1.588 0.000) 3.756 8.638 ( 1.402 12.399 0.000) 12.478 8.913 ( -0.366 3.729 0.000) 3.747 8.987 ( 2.251 11.743 0.000) 11.957 8.990 ( -11.432 -5.525 0.000) 12.697 9.103 ( -7.107 -4.178 0.000) 8.244 9.278 ( -4.487 -16.074 0.000) 16.688 9.307 ( -10.874 -2.452 0.000) 11.147 9.563 ( 0.259 1.016 0.000) 1.049 9.574 ( 5.719 -11.651 0.000) 12.979 9.844 ( -1.538 9.127 0.000) 9.256 9.899 ( -1.721 -13.042 0.000) 13.155 9.963 ( -6.443 -0.820 0.000) 6.495 10.585 ( -16.937 -3.861 0.000) 17.371 10.619 ( -11.151 -14.500 0.000) 18.292 10.652 ( -10.014 -8.538 0.000) 13.160 10.942 ( -1.157 -3.114 0.000) 3.322 10.975 ( -4.261 -1.145 0.000) 4.412 11.050 ( 1.339 -6.531 0.000) 6.667 11.161 ( -12.547 0.234 0.000) 12.549 11.281 ( 9.795 -12.498 0.000) 15.879 11.348 ( -4.720 6.121 0.000) 7.730 11.434 ( -7.468 -5.668 0.000) 9.375 11.556 ( -4.676 -10.088 0.000) 11.119 11.882 ( -0.591 -9.073 0.000) 9.093 11.968 ( 5.933 1.105 0.000) 6.035 12.132 ( -6.114 -12.635 0.000) 14.036 12.271 ( -10.647 -1.262 0.000) 10.722 12.411 ( 8.563 1.830 0.000) 8.757 12.481 ( -10.990 11.119 0.000) 15.633 12.686 ( 1.987 -16.197 0.000) 16.318 12.865 ( -8.318 1.644 0.000) 8.479 13.095 ( -2.215 -2.891 0.000) 3.642 13.106 ( -3.366 0.653 0.000) 3.429 13.169 ( -3.189 -8.418 0.000) 9.002 13.269 ( -4.147 0.672 0.000) 4.201 13.448 ( -7.402 -5.764 0.000) 9.381 13.482 ( 3.559 -2.056 0.000) 4.110 13.495 ( -8.059 -9.160 0.000) 12.200 13.573 ( 5.130 -5.523 0.000) 7.538 13.720 ( 3.376 7.817 0.000) 8.515 13.851 ( 2.212 8.685 0.000) 8.962 13.935 ( 6.987 -2.002 0.000) 7.268 14.283 ( 5.353 3.365 0.000) 6.323 14.389 ( 1.699 -2.465 0.000) 2.993 14.583 ( 9.049 8.575 0.000) 12.467 14.739 ( 0.249 2.494 0.000) 2.506 14.757 ( -4.136 -0.275 0.000) 4.145 15.003 ( -2.588 6.064 0.000) 6.593 15.068 ( -6.221 3.264 0.000) 7.025 15.293 ( -12.284 -0.117 0.000) 12.285 15.331 ( -12.454 5.640 0.000) 13.672 15.549 ( 5.864 3.949 0.000) 7.070 15.739 ( -11.683 -6.249 0.000) 13.249 16.059 ( -20.327 0.585 0.000) 20.336 16.360 ( -8.471 3.229 0.000) 9.066 16.444 ( -17.958 -0.813 0.000) 17.976 16.761 ( -12.158 -4.788 0.000) 13.067 16.960 ( -14.235 -1.036 0.000) 14.272 20.132 ( -1.640 -7.658 0.000) 7.831 20.261 ( 6.124 0.166 0.000) 6.126 20.977 ( -4.060 -11.207 0.000) 11.920 21.073 ( -0.139 6.367 0.000) 6.368 21.662 ( 1.125 -10.774 0.000) 10.832 21.876 ( -3.058 -0.657 0.000) 3.128 22.676 ( -1.435 6.795 0.000) 6.945 22.753 ( -6.431 -2.216 0.000) 6.802 23.291 ( -1.194 -1.123 0.000) 1.639 23.355 ( 5.666 -9.719 0.000) 11.250 23.956 ( -3.362 -6.465 0.000) 7.287 23.985 ( -0.126 -3.775 0.000) 3.777 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 5.112 -10.311 0.000) 11.508 2.219 ( -0.432 -11.963 0.000) 11.971 2.358 ( 3.593 -5.784 0.000) 6.809 2.617 ( 0.925 -9.279 0.000) 9.325 2.717 ( -5.830 7.224 0.000) 9.284 3.047 ( -7.596 -2.427 0.000) 7.975 3.113 ( 11.916 -19.567 0.000) 22.910 3.225 ( 3.671 3.764 0.000) 5.258 3.626 ( -5.067 -2.584 0.000) 5.688 3.652 ( 2.734 -6.786 0.000) 7.316 4.019 ( 11.003 14.140 0.000) 17.917 4.186 ( -3.981 13.125 0.000) 13.715 4.530 ( 18.291 -5.631 0.000) 19.139 5.055 ( 15.195 -13.262 0.000) 20.169 5.240 ( 21.426 -13.533 0.000) 25.342 5.844 ( 11.562 -21.892 0.000) 24.757 5.918 ( 10.503 3.313 0.000) 11.013 6.008 ( 1.874 2.238 0.000) 2.919 6.125 ( 8.692 -2.733 0.000) 9.111 6.326 ( -0.029 9.097 0.000) 9.097 6.351 ( -11.475 -17.339 0.000) 20.792 6.470 ( -25.539 -14.736 0.000) 29.485 6.680 ( 2.425 3.223 0.000) 4.033 6.756 ( 3.670 0.928 0.000) 3.785 6.874 ( -4.020 -4.782 0.000) 6.248 6.931 ( 12.750 9.807 0.000) 16.085 6.944 ( 8.787 0.887 0.000) 8.831 6.965 ( -0.948 16.964 0.000) 16.990 7.288 ( 7.318 15.615 0.000) 17.245 7.296 ( 10.663 -3.287 0.000) 11.158 7.510 ( 10.507 -2.998 0.000) 10.926 7.742 ( 6.954 3.807 0.000) 7.928 7.948 ( 3.138 8.689 0.000) 9.238 8.054 ( 10.109 6.252 0.000) 11.886 8.080 ( 0.124 -6.092 0.000) 6.094 8.287 ( -3.017 -10.318 0.000) 10.750 8.410 ( 2.435 7.885 0.000) 8.253 8.584 ( -14.444 -0.664 0.000) 14.459 8.607 ( 10.582 -2.324 0.000) 10.835 8.644 ( -4.158 4.463 0.000) 6.100 8.902 ( -8.980 -3.692 0.000) 9.709 8.955 ( -1.159 -6.369 0.000) 6.473 8.983 ( -3.026 -3.895 0.000) 4.932 9.201 ( -2.232 -2.800 0.000) 3.581 9.241 ( 1.376 -6.725 0.000) 6.865 9.601 ( -6.722 -11.360 0.000) 13.200 9.639 ( -5.323 7.287 0.000) 9.024 9.778 ( 0.174 -5.161 0.000) 5.164 9.856 ( 2.524 4.602 0.000) 5.248 10.087 ( 14.565 15.263 0.000) 21.097 10.243 ( -11.245 -2.107 0.000) 11.441 10.417 ( -5.952 -18.531 0.000) 19.463 10.448 ( -13.483 -3.642 0.000) 13.966 10.859 ( -5.477 -11.808 0.000) 13.016 10.930 ( -9.005 6.304 0.000) 10.992 10.941 ( -0.473 -1.632 0.000) 1.699 11.008 ( -6.615 4.216 0.000) 7.845 11.316 ( -15.281 -16.298 0.000) 22.342 11.342 ( -3.095 -0.025 0.000) 3.095 11.371 ( 11.627 -7.824 0.000) 14.015 11.524 ( 9.079 -13.113 0.000) 15.949 11.869 ( -1.144 -9.547 0.000) 9.615 11.946 ( -11.628 -8.142 0.000) 14.196 12.030 ( -8.570 4.579 0.000) 9.717 12.159 ( 6.901 -5.909 0.000) 9.085 12.263 ( -10.379 6.341 0.000) 12.162 12.501 ( -4.464 -2.419 0.000) 5.078 12.648 ( -5.028 -13.220 0.000) 14.144 12.711 ( -1.259 -3.603 0.000) 3.817 13.056 ( -2.848 -5.450 0.000) 6.149 13.076 ( -1.327 2.689 0.000) 2.999 13.112 ( -2.685 -5.643 0.000) 6.250 13.226 ( 3.208 3.254 0.000) 4.569 13.340 ( -1.832 -8.198 0.000) 8.400 13.427 ( 1.517 2.637 0.000) 3.043 13.543 ( 1.436 -2.788 0.000) 3.136 13.692 ( 4.979 4.023 0.000) 6.401 13.792 ( 2.861 9.477 0.000) 9.899 13.930 ( 4.776 8.741 0.000) 9.960 14.020 ( 3.265 0.064 0.000) 3.266 14.379 ( 3.042 0.810 0.000) 3.148 14.411 ( -1.314 3.075 0.000) 3.344 14.660 ( -2.215 -1.590 0.000) 2.727 14.718 ( -2.317 2.282 0.000) 3.252 14.790 ( 12.163 4.821 0.000) 13.083 14.915 ( -5.488 1.379 0.000) 5.658 14.927 ( -9.628 13.028 0.000) 16.200 15.049 ( -10.848 -0.939 0.000) 10.889 15.229 ( -1.852 1.803 0.000) 2.585 15.553 ( -5.984 2.734 0.000) 6.579 15.642 ( 0.774 12.450 0.000) 12.474 15.739 ( -6.267 5.747 0.000) 8.503 16.134 ( -12.998 10.864 0.000) 16.940 16.164 ( -9.011 4.147 0.000) 9.920 16.494 ( -13.986 -0.384 0.000) 13.992 16.633 ( -17.970 2.019 0.000) 18.083 20.168 ( 4.835 -12.751 0.000) 13.637 20.387 ( 5.624 -6.439 0.000) 8.550 20.886 ( -4.204 -11.117 0.000) 11.885 21.050 ( -2.498 4.179 0.000) 4.869 21.669 ( 0.017 -15.085 0.000) 15.085 21.807 ( -3.697 -5.332 0.000) 6.488 22.634 ( -2.512 1.776 0.000) 3.076 22.636 ( -4.694 -2.704 0.000) 5.417 23.284 ( 0.597 -0.982 0.000) 1.149 23.407 ( -0.080 -7.530 0.000) 7.531 23.896 ( -2.374 -8.545 0.000) 8.868 23.944 ( -3.085 -5.705 0.000) 6.486 ======================= Grid point 27 (18/60) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 7.094 -9.666 0.000) 11.990 2.259 ( 4.997 -19.670 0.000) 20.295 2.369 ( -3.516 -2.707 0.000) 4.438 2.479 ( -11.336 -14.540 0.000) 18.436 2.700 ( 5.258 2.299 0.000) 5.739 2.842 ( -7.921 1.765 0.000) 8.116 3.307 ( 4.902 1.671 0.000) 5.179 3.387 ( 2.344 -12.757 0.000) 12.971 3.548 ( 3.122 -3.653 0.000) 4.805 3.653 ( -2.997 -7.688 0.000) 8.252 4.159 ( 2.755 14.084 0.000) 14.351 4.161 ( 0.891 11.459 0.000) 11.493 4.979 ( 25.835 -20.342 0.000) 32.882 5.321 ( 4.718 -29.358 0.000) 29.735 5.655 ( 16.786 -28.621 0.000) 33.180 5.794 ( -20.834 -29.820 0.000) 36.377 5.894 ( -9.116 -12.131 0.000) 15.174 5.985 ( 1.661 -11.954 0.000) 12.069 5.994 ( 0.659 -11.128 0.000) 11.148 6.107 ( -17.186 -14.859 0.000) 22.719 6.372 ( 10.372 0.873 0.000) 10.408 6.429 ( 7.071 8.700 0.000) 11.211 6.679 ( -1.647 -4.196 0.000) 4.508 6.715 ( -6.820 -8.205 0.000) 10.670 6.763 ( 0.419 -2.366 0.000) 2.402 6.847 ( -7.685 3.505 0.000) 8.446 7.124 ( 6.832 7.772 0.000) 10.348 7.175 ( 4.090 8.320 0.000) 9.271 7.466 ( 10.944 -1.146 0.000) 11.004 7.541 ( 7.418 -2.526 0.000) 7.836 7.739 ( 10.353 -4.955 0.000) 11.478 7.907 ( 8.739 -4.240 0.000) 9.713 7.918 ( -5.914 5.936 0.000) 8.379 8.060 ( -8.646 -7.253 0.000) 11.286 8.249 ( -1.356 -13.225 0.000) 13.294 8.263 ( 7.240 -0.556 0.000) 7.262 8.321 ( 0.493 -3.840 0.000) 3.872 8.624 ( -0.174 7.080 0.000) 7.082 8.627 ( -4.941 -0.910 0.000) 5.024 8.651 ( -9.102 7.045 0.000) 11.510 8.731 ( 21.023 6.724 0.000) 22.072 8.958 ( 0.140 -9.563 0.000) 9.564 8.986 ( 1.441 -5.615 0.000) 5.796 9.186 ( -1.653 3.145 0.000) 3.553 9.321 ( -18.239 8.601 0.000) 20.165 9.336 ( -1.668 0.235 0.000) 1.684 9.474 ( 5.820 -4.066 0.000) 7.100 9.729 ( -13.661 -3.244 0.000) 14.041 9.884 ( 8.797 -2.161 0.000) 9.059 10.133 ( -15.295 -1.758 0.000) 15.395 10.306 ( 6.547 -7.743 0.000) 10.140 10.307 ( 8.138 6.971 0.000) 10.716 10.472 ( 9.750 -3.797 0.000) 10.463 10.707 ( -13.817 -4.421 0.000) 14.507 10.792 ( -2.550 -8.281 0.000) 8.665 10.808 ( -5.736 2.942 0.000) 6.446 11.041 ( 3.448 -4.721 0.000) 5.846 11.084 ( -4.287 -11.284 0.000) 12.071 11.313 ( 1.807 -6.161 0.000) 6.421 11.469 ( -11.917 -14.296 0.000) 18.611 11.666 ( 14.473 -6.282 0.000) 15.777 11.811 ( -3.726 7.515 0.000) 8.388 11.882 ( -2.689 6.168 0.000) 6.729 11.952 ( 11.640 -8.365 0.000) 14.334 12.037 ( -12.698 -4.345 0.000) 13.421 12.203 ( -9.683 -4.246 0.000) 10.573 12.383 ( 3.022 -14.286 0.000) 14.602 12.511 ( -7.600 -13.568 0.000) 15.552 12.803 ( 6.979 -1.893 0.000) 7.231 12.947 ( -6.926 -3.105 0.000) 7.590 13.047 ( -0.314 -3.262 0.000) 3.277 13.071 ( -1.987 -7.548 0.000) 7.805 13.378 ( 4.387 -3.343 0.000) 5.516 13.386 ( 8.245 4.509 0.000) 9.397 13.525 ( 5.299 6.387 0.000) 8.298 13.533 ( -0.892 1.301 0.000) 1.577 13.726 ( -1.065 9.791 0.000) 9.849 13.765 ( -5.646 13.224 0.000) 14.379 14.028 ( 4.866 4.967 0.000) 6.954 14.080 ( 0.974 1.225 0.000) 1.565 14.377 ( 0.458 5.036 0.000) 5.056 14.405 ( -0.580 1.380 0.000) 1.497 14.665 ( -2.373 5.486 0.000) 5.977 14.673 ( -0.400 0.374 0.000) 0.547 14.750 ( -1.893 6.238 0.000) 6.519 14.802 ( -5.334 2.012 0.000) 5.701 14.921 ( 0.979 2.811 0.000) 2.977 15.069 ( -10.797 2.719 0.000) 11.134 15.097 ( 14.652 5.454 0.000) 15.635 15.366 ( -11.761 1.272 0.000) 11.830 15.713 ( 6.100 18.978 0.000) 19.934 15.868 ( 5.187 5.983 0.000) 7.919 15.896 ( -0.851 17.327 0.000) 17.348 16.083 ( -0.019 6.587 0.000) 6.587 16.237 ( -10.348 4.911 0.000) 11.455 16.264 ( -17.531 6.061 0.000) 18.549 20.301 ( 7.645 -15.762 0.000) 17.518 20.425 ( -3.029 -14.101 0.000) 14.422 20.864 ( 2.982 -4.622 0.000) 5.501 20.966 ( -5.578 0.695 0.000) 5.622 21.682 ( 1.622 -15.358 0.000) 15.443 21.734 ( -3.351 -11.277 0.000) 11.764 22.578 ( -1.083 -2.809 0.000) 3.010 22.587 ( -1.760 -1.413 0.000) 2.257 23.315 ( 2.486 -2.491 0.000) 3.519 23.373 ( -2.808 -4.952 0.000) 5.692 23.868 ( -0.259 -9.290 0.000) 9.293 23.887 ( -2.131 -8.138 0.000) 8.413 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 22.248 0.000) 22.248 2.120 ( 0.000 15.639 0.000) 15.639 2.461 ( 0.000 27.457 0.000) 27.457 2.723 ( 0.000 9.683 0.000) 9.683 2.958 ( 0.000 2.773 0.000) 2.773 3.055 ( 0.000 2.640 0.000) 2.640 3.203 ( 0.000 -10.325 0.000) 10.325 3.216 ( 0.000 18.972 0.000) 18.972 3.245 ( 0.000 -2.683 0.000) 2.683 3.378 ( 0.000 12.577 0.000) 12.577 3.733 ( 0.000 -0.157 0.000) 0.157 4.350 ( 0.000 -11.993 0.000) 11.993 4.979 ( 0.000 20.891 0.000) 20.891 5.104 ( 0.000 69.877 0.000) 69.877 5.199 ( 0.000 28.160 0.000) 28.160 5.418 ( 0.000 29.583 0.000) 29.583 5.614 ( 0.000 50.088 0.000) 50.088 5.902 ( 0.000 5.019 0.000) 5.019 6.001 ( 0.000 18.573 0.000) 18.573 6.033 ( 0.000 19.328 0.000) 19.328 6.098 ( 0.000 20.690 0.000) 20.690 6.555 ( 0.000 31.250 0.000) 31.250 6.693 ( 0.000 14.862 0.000) 14.862 6.886 ( 0.000 2.736 0.000) 2.736 7.013 ( 0.000 27.941 0.000) 27.941 7.244 ( 0.000 20.717 0.000) 20.717 7.370 ( 0.000 24.920 0.000) 24.920 7.379 ( 0.000 6.808 0.000) 6.808 7.608 ( 0.000 15.418 0.000) 15.418 7.688 ( 0.000 20.984 0.000) 20.984 7.798 ( 0.000 31.904 0.000) 31.904 7.885 ( 0.000 5.832 0.000) 5.832 8.038 ( 0.000 18.246 0.000) 18.246 8.304 ( 0.000 3.009 0.000) 3.009 8.337 ( 0.000 19.353 0.000) 19.353 8.354 ( 0.000 16.436 0.000) 16.436 8.587 ( 0.000 4.965 0.000) 4.965 8.620 ( 0.000 -30.753 0.000) 30.753 8.796 ( 0.000 24.133 0.000) 24.133 8.913 ( 0.000 -17.409 0.000) 17.409 8.950 ( 0.000 8.674 0.000) 8.674 8.999 ( 0.000 12.705 0.000) 12.705 9.352 ( 0.000 -6.018 0.000) 6.018 9.440 ( 0.000 -29.711 0.000) 29.711 9.750 ( 0.000 1.858 0.000) 1.858 9.790 ( 0.000 -12.453 0.000) 12.453 9.970 ( 0.000 -11.541 0.000) 11.541 9.979 ( 0.000 -26.987 0.000) 26.987 10.124 ( 0.000 2.520 0.000) 2.520 10.136 ( 0.000 15.373 0.000) 15.373 10.385 ( 0.000 -4.635 0.000) 4.635 10.675 ( 0.000 -2.949 0.000) 2.949 10.727 ( 0.000 -13.602 0.000) 13.602 10.859 ( 0.000 -3.465 0.000) 3.465 11.067 ( 0.000 -7.642 0.000) 7.642 11.147 ( 0.000 9.738 0.000) 9.738 11.284 ( 0.000 -3.165 0.000) 3.165 11.351 ( 0.000 -7.859 0.000) 7.859 11.370 ( 0.000 -16.692 0.000) 16.692 11.416 ( 0.000 -3.444 0.000) 3.444 11.613 ( 0.000 -8.376 0.000) 8.376 11.739 ( 0.000 -4.286 0.000) 4.286 11.871 ( 0.000 -4.032 0.000) 4.032 12.063 ( 0.000 -11.440 0.000) 11.440 12.082 ( 0.000 -15.513 0.000) 15.513 12.235 ( 0.000 -9.323 0.000) 9.323 12.535 ( 0.000 -3.654 0.000) 3.654 12.744 ( 0.000 0.527 0.000) 0.527 12.873 ( 0.000 6.302 0.000) 6.302 13.015 ( 0.000 -0.792 0.000) 0.792 13.155 ( 0.000 4.428 0.000) 4.428 13.171 ( 0.000 -10.701 0.000) 10.701 13.190 ( 0.000 -2.163 0.000) 2.163 13.257 ( 0.000 -19.202 0.000) 19.202 13.458 ( 0.000 -1.969 0.000) 1.969 13.537 ( 0.000 -8.400 0.000) 8.400 13.635 ( 0.000 -10.643 0.000) 10.643 13.671 ( 0.000 -12.414 0.000) 12.414 13.946 ( 0.000 5.856 0.000) 5.856 14.060 ( 0.000 -0.905 0.000) 0.905 14.156 ( 0.000 -0.708 0.000) 0.708 14.361 ( 0.000 -2.682 0.000) 2.682 14.560 ( 0.000 -7.346 0.000) 7.346 14.571 ( 0.000 5.030 0.000) 5.030 14.822 ( 0.000 10.044 0.000) 10.044 15.104 ( 0.000 10.583 0.000) 10.583 15.186 ( 0.000 8.357 0.000) 8.357 15.766 ( 0.000 -15.267 0.000) 15.267 15.946 ( 0.000 12.675 0.000) 12.675 16.105 ( 0.000 -16.771 0.000) 16.771 16.290 ( 0.000 14.640 0.000) 14.640 16.307 ( 0.000 -21.078 0.000) 21.078 16.640 ( 0.000 12.078 0.000) 12.078 16.901 ( 0.000 -14.858 0.000) 14.858 17.123 ( 0.000 -5.956 0.000) 5.956 17.290 ( 0.000 -8.666 0.000) 8.666 20.343 ( 0.000 10.022 0.000) 10.022 20.497 ( 0.000 2.777 0.000) 2.777 20.990 ( 0.000 0.289 0.000) 0.289 21.068 ( 0.000 -0.238 0.000) 0.238 21.723 ( 0.000 5.618 0.000) 5.618 21.916 ( 0.000 -2.175 0.000) 2.175 22.618 ( 0.000 16.376 0.000) 16.376 22.883 ( 0.000 0.237 0.000) 0.237 23.220 ( 0.000 -2.294 0.000) 2.294 23.261 ( 0.000 -6.242 0.000) 6.242 23.376 ( 0.000 6.951 0.000) 6.951 24.003 ( 0.000 -6.491 0.000) 6.491 ======================= Grid point 34 (20/60) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 9.655 19.162 0.000) 21.457 2.170 ( 3.751 16.575 0.000) 16.994 2.448 ( -1.052 20.112 0.000) 20.139 2.566 ( -9.765 9.726 0.000) 13.782 2.952 ( 0.497 5.522 0.000) 5.544 3.134 ( 4.102 8.807 0.000) 9.716 3.173 ( -0.174 12.713 0.000) 12.714 3.324 ( 3.820 -8.283 0.000) 9.121 3.332 ( 5.955 -6.520 0.000) 8.830 3.479 ( 9.830 16.421 0.000) 19.138 3.676 ( -5.309 3.845 0.000) 6.555 4.362 ( 1.406 -7.914 0.000) 8.038 4.708 ( -12.566 29.830 0.000) 32.369 5.183 ( 0.656 27.441 0.000) 27.449 5.372 ( 12.226 42.628 0.000) 44.347 5.495 ( 2.697 22.598 0.000) 22.758 5.553 ( -5.574 42.184 0.000) 42.551 5.851 ( -3.604 11.573 0.000) 12.121 6.012 ( 3.138 26.898 0.000) 27.080 6.170 ( 12.331 20.645 0.000) 24.047 6.185 ( 8.560 20.990 0.000) 22.669 6.427 ( -9.503 23.975 0.000) 25.790 6.526 ( -12.465 11.087 0.000) 16.683 6.977 ( -2.965 22.495 0.000) 22.690 6.986 ( 7.248 -0.857 0.000) 7.299 7.231 ( -3.974 16.567 0.000) 17.037 7.369 ( -1.128 9.075 0.000) 9.145 7.387 ( 2.193 20.938 0.000) 21.052 7.472 ( -11.726 17.200 0.000) 20.817 7.588 ( -2.895 11.869 0.000) 12.217 7.834 ( 1.980 26.485 0.000) 26.559 8.012 ( 2.163 14.723 0.000) 14.881 8.015 ( -2.305 15.446 0.000) 15.617 8.111 ( -16.583 -13.121 0.000) 21.146 8.264 ( -1.526 15.414 0.000) 15.489 8.385 ( 2.657 5.288 0.000) 5.919 8.619 ( 2.545 3.014 0.000) 3.945 8.667 ( 3.479 5.265 0.000) 6.310 8.708 ( -10.746 0.381 0.000) 10.753 8.990 ( 4.122 7.884 0.000) 8.897 9.002 ( 9.330 9.370 0.000) 13.223 9.064 ( 3.751 -5.602 0.000) 6.742 9.355 ( -2.408 -7.935 0.000) 8.292 9.431 ( -0.125 -22.668 0.000) 22.668 9.509 ( -20.590 5.066 0.000) 21.204 9.656 ( -12.768 -13.180 0.000) 18.350 9.837 ( -9.745 -13.196 0.000) 16.404 9.873 ( -7.177 -1.915 0.000) 7.428 10.126 ( -2.655 4.731 0.000) 5.425 10.169 ( 1.029 3.120 0.000) 3.286 10.454 ( 5.110 -13.502 0.000) 14.437 10.646 ( -14.845 -5.335 0.000) 15.774 10.650 ( 0.824 -3.089 0.000) 3.197 10.871 ( 7.650 -14.724 0.000) 16.592 11.026 ( -3.562 0.407 0.000) 3.585 11.100 ( -2.912 -7.693 0.000) 8.225 11.239 ( -2.050 -0.851 0.000) 2.220 11.265 ( 5.477 3.701 0.000) 6.610 11.370 ( -8.116 -7.842 0.000) 11.286 11.501 ( -7.675 -3.556 0.000) 8.459 11.525 ( -3.329 -9.215 0.000) 9.798 11.844 ( 9.710 -8.989 0.000) 13.232 11.920 ( 0.911 -5.913 0.000) 5.983 11.931 ( -3.446 -13.104 0.000) 13.549 12.191 ( -4.497 -5.297 0.000) 6.949 12.208 ( 5.712 -13.981 0.000) 15.103 12.649 ( 4.588 -6.389 0.000) 7.866 12.764 ( -0.859 4.485 0.000) 4.567 12.817 ( 5.317 0.115 0.000) 5.319 13.079 ( -5.473 4.072 0.000) 6.822 13.131 ( -9.369 -17.424 0.000) 19.783 13.138 ( 5.098 -4.138 0.000) 6.566 13.160 ( 3.614 1.945 0.000) 4.104 13.260 ( 4.915 -4.578 0.000) 6.717 13.448 ( -1.094 -2.100 0.000) 2.368 13.552 ( -0.951 -10.129 0.000) 10.174 13.626 ( -2.126 -11.586 0.000) 11.779 13.699 ( 3.422 -2.461 0.000) 4.215 13.954 ( -1.416 4.436 0.000) 4.656 14.017 ( -3.301 0.282 0.000) 3.313 14.211 ( 6.739 4.063 0.000) 7.869 14.321 ( -2.006 -2.068 0.000) 2.881 14.461 ( -8.817 6.223 0.000) 10.792 14.686 ( 6.895 -0.270 0.000) 6.901 14.926 ( 11.619 1.073 0.000) 11.668 15.015 ( -12.538 5.155 0.000) 13.557 15.113 ( 1.003 7.891 0.000) 7.955 15.703 ( -6.454 -7.637 0.000) 9.999 15.852 ( -8.423 11.197 0.000) 14.011 15.920 ( -20.474 -7.097 0.000) 21.669 16.128 ( -16.525 -20.993 0.000) 26.716 16.275 ( 3.161 -0.872 0.000) 3.280 16.624 ( -2.732 9.346 0.000) 9.737 16.894 ( -2.257 -11.777 0.000) 11.991 17.034 ( -9.517 -6.454 0.000) 11.499 17.227 ( -5.265 -7.473 0.000) 9.141 20.328 ( -1.353 9.283 0.000) 9.382 20.416 ( -7.698 2.898 0.000) 8.225 21.004 ( -5.665 -3.238 0.000) 6.525 21.015 ( 2.030 -2.905 0.000) 3.545 21.704 ( -1.761 7.581 0.000) 7.783 21.936 ( 1.153 -0.930 0.000) 1.481 22.771 ( 13.102 10.324 0.000) 16.681 22.876 ( -1.046 -0.457 0.000) 1.141 23.035 ( -9.515 2.344 0.000) 9.799 23.268 ( 0.640 -4.565 0.000) 4.610 23.622 ( 14.355 0.122 0.000) 14.355 23.984 ( -1.868 -5.936 0.000) 6.223 ======================= Grid point 35 (21/60) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -4.268 16.573 0.000) 17.114 2.281 ( 2.917 15.290 0.000) 15.566 2.455 ( -0.721 8.600 0.000) 8.630 2.475 ( 5.181 7.719 0.000) 9.296 2.984 ( 1.733 8.393 0.000) 8.570 3.122 ( -5.704 14.772 0.000) 15.835 3.122 ( -7.831 13.745 0.000) 15.819 3.324 ( -3.385 -6.470 0.000) 7.302 3.465 ( 6.803 -10.999 0.000) 12.933 3.549 ( -3.995 1.467 0.000) 4.255 3.699 ( 11.229 17.805 0.000) 21.051 4.401 ( 0.105 -3.032 0.000) 3.034 4.569 ( -0.106 19.251 0.000) 19.251 5.220 ( -1.623 12.105 0.000) 12.214 5.330 ( -13.393 32.740 0.000) 35.374 5.407 ( -5.009 23.900 0.000) 24.419 5.608 ( 10.264 20.545 0.000) 22.966 5.864 ( 4.252 16.317 0.000) 16.862 6.101 ( 0.226 21.879 0.000) 21.880 6.269 ( -5.701 2.426 0.000) 6.196 6.321 ( -1.464 -1.019 0.000) 1.784 6.423 ( 13.967 20.843 0.000) 25.090 6.521 ( 19.306 28.515 0.000) 34.436 6.906 ( -5.112 10.239 0.000) 11.444 7.070 ( 0.091 0.112 0.000) 0.145 7.076 ( -8.108 -0.825 0.000) 8.150 7.280 ( -15.076 0.677 0.000) 15.091 7.313 ( -7.196 18.853 0.000) 20.179 7.443 ( 2.969 18.128 0.000) 18.370 7.514 ( 2.850 13.667 0.000) 13.961 7.698 ( -18.759 -13.396 0.000) 23.051 7.837 ( -2.074 6.820 0.000) 7.129 7.979 ( -7.641 8.399 0.000) 11.355 8.013 ( 4.439 17.735 0.000) 18.282 8.259 ( -0.223 14.119 0.000) 14.121 8.425 ( -13.459 1.184 0.000) 13.511 8.456 ( 2.635 2.851 0.000) 3.883 8.669 ( 0.584 3.667 0.000) 3.713 8.751 ( -0.653 -6.877 0.000) 6.908 8.933 ( -23.526 -10.113 0.000) 25.607 9.026 ( -2.971 2.339 0.000) 3.781 9.091 ( 4.443 4.402 0.000) 6.255 9.140 ( -5.157 4.811 0.000) 7.053 9.349 ( -4.257 3.282 0.000) 5.375 9.391 ( -3.763 -15.352 0.000) 15.807 9.517 ( 5.916 3.714 0.000) 6.985 9.683 ( -4.148 -4.530 0.000) 6.142 9.693 ( -11.379 5.149 0.000) 12.489 10.027 ( -4.880 -0.497 0.000) 4.906 10.130 ( -2.975 10.269 0.000) 10.692 10.493 ( -3.020 -6.186 0.000) 6.884 10.523 ( 0.818 -14.631 0.000) 14.653 10.717 ( 3.289 -5.283 0.000) 6.223 10.903 ( -3.597 -8.501 0.000) 9.230 10.959 ( -2.397 1.889 0.000) 3.052 11.005 ( -7.887 -8.030 0.000) 11.256 11.053 ( -15.747 -14.435 0.000) 21.362 11.289 ( 2.503 -6.454 0.000) 6.922 11.338 ( -0.998 -4.255 0.000) 4.370 11.381 ( -6.843 -0.468 0.000) 6.859 11.448 ( 0.234 0.530 0.000) 0.580 11.791 ( -8.065 -10.973 0.000) 13.618 11.970 ( 1.243 -9.791 0.000) 9.870 12.034 ( 7.678 -8.546 0.000) 11.489 12.085 ( -3.878 -1.125 0.000) 4.038 12.307 ( 3.857 -13.352 0.000) 13.898 12.513 ( -8.467 -0.621 0.000) 8.490 12.841 ( -3.051 3.953 0.000) 4.993 12.921 ( 2.769 -6.391 0.000) 6.966 12.954 ( -7.355 -17.412 0.000) 18.902 13.062 ( 2.740 3.797 0.000) 4.682 13.169 ( 2.891 0.927 0.000) 3.036 13.346 ( 7.505 5.796 0.000) 9.482 13.372 ( 6.198 1.716 0.000) 6.431 13.407 ( -1.061 -2.247 0.000) 2.485 13.483 ( -3.871 -6.872 0.000) 7.887 13.520 ( -8.134 -6.698 0.000) 10.537 13.804 ( 5.733 5.933 0.000) 8.250 13.865 ( -3.669 5.741 0.000) 6.813 13.973 ( -0.401 3.224 0.000) 3.249 14.300 ( 0.072 -2.215 0.000) 2.217 14.307 ( -0.737 3.070 0.000) 3.157 14.484 ( 14.921 5.968 0.000) 16.070 14.741 ( -0.542 0.216 0.000) 0.583 14.806 ( -7.528 1.428 0.000) 7.663 15.127 ( -0.409 1.078 0.000) 1.153 15.238 ( 14.835 -5.261 0.000) 15.740 15.408 ( -23.706 0.030 0.000) 23.706 15.578 ( -7.911 -5.004 0.000) 9.360 15.603 ( -17.553 -2.812 0.000) 17.777 15.823 ( -6.570 -2.378 0.000) 6.987 16.355 ( 0.376 -4.303 0.000) 4.319 16.479 ( -9.464 5.616 0.000) 11.005 16.751 ( -17.398 -5.503 0.000) 18.247 16.802 ( -6.552 -7.974 0.000) 10.321 17.097 ( -8.133 -6.388 0.000) 10.341 20.222 ( -10.579 2.023 0.000) 10.771 20.297 ( -1.472 6.490 0.000) 6.655 20.873 ( -6.920 -8.160 0.000) 10.699 21.053 ( 1.571 -6.475 0.000) 6.663 21.649 ( -4.007 6.024 0.000) 7.235 21.928 ( -2.462 -0.810 0.000) 2.592 22.825 ( -4.284 -1.463 0.000) 4.527 22.877 ( -6.708 2.272 0.000) 7.083 23.042 ( 12.146 1.888 0.000) 12.292 23.281 ( 0.421 -1.448 0.000) 1.508 23.844 ( 6.883 -3.231 0.000) 7.604 23.926 ( -3.925 -5.034 0.000) 6.383 ======================= Grid point 36 (22/60) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -8.525 9.659 0.000) 12.883 2.297 ( 1.102 8.307 0.000) 8.380 2.450 ( -1.336 3.815 0.000) 4.042 2.451 ( -12.591 13.289 0.000) 18.307 2.893 ( -10.875 4.758 0.000) 11.870 2.999 ( -1.858 -3.295 0.000) 3.783 3.025 ( -0.178 7.149 0.000) 7.151 3.197 ( -7.946 -4.158 0.000) 8.968 3.550 ( 1.486 -6.466 0.000) 6.635 3.561 ( 2.185 -2.642 0.000) 3.429 3.939 ( 12.927 9.095 0.000) 15.806 4.355 ( -2.748 -3.216 0.000) 4.231 4.631 ( 2.185 20.620 0.000) 20.735 5.044 ( -10.507 9.153 0.000) 13.935 5.076 ( -8.683 15.711 0.000) 17.951 5.434 ( 1.592 6.835 0.000) 7.018 5.794 ( 5.328 4.841 0.000) 7.199 5.998 ( 8.949 7.109 0.000) 11.429 6.058 ( 1.453 4.919 0.000) 5.130 6.164 ( -6.585 -17.920 0.000) 19.091 6.227 ( -15.304 -15.678 0.000) 21.909 6.651 ( 4.266 7.898 0.000) 8.977 6.731 ( -11.876 -8.086 0.000) 14.368 6.917 ( -4.534 12.801 0.000) 13.581 6.950 ( 8.173 14.461 0.000) 16.611 6.987 ( -1.368 -2.963 0.000) 3.264 7.021 ( -16.876 4.783 0.000) 17.541 7.072 ( 4.538 -1.395 0.000) 4.747 7.475 ( -2.815 2.110 0.000) 3.518 7.489 ( -6.706 18.007 0.000) 19.215 7.536 ( 4.811 16.710 0.000) 17.389 7.865 ( -0.273 15.533 0.000) 15.536 7.886 ( 0.822 -6.983 0.000) 7.031 8.126 ( 5.591 14.992 0.000) 16.001 8.161 ( -12.325 0.034 0.000) 12.325 8.230 ( 0.328 -6.299 0.000) 6.307 8.382 ( -3.810 4.246 0.000) 5.704 8.584 ( -0.079 12.439 0.000) 12.439 8.671 ( -4.763 -13.029 0.000) 13.873 8.841 ( 1.768 -10.188 0.000) 10.340 8.862 ( -13.571 -4.974 0.000) 14.454 8.995 ( -5.092 9.270 0.000) 10.576 9.124 ( -2.696 -5.804 0.000) 6.400 9.270 ( -0.137 11.445 0.000) 11.445 9.328 ( -2.770 2.653 0.000) 3.835 9.451 ( -11.047 5.143 0.000) 12.185 9.662 ( 0.754 -7.525 0.000) 7.563 9.771 ( 14.418 10.283 0.000) 17.709 9.899 ( -8.916 -4.058 0.000) 9.796 10.177 ( 8.268 16.939 0.000) 18.849 10.360 ( -11.424 -6.556 0.000) 13.172 10.479 ( -11.461 -7.143 0.000) 13.505 10.511 ( -10.444 -3.348 0.000) 10.967 10.805 ( -8.722 -14.214 0.000) 16.677 10.878 ( -2.520 -4.480 0.000) 5.140 10.958 ( 2.995 -2.661 0.000) 4.006 11.030 ( 10.357 -11.239 0.000) 15.283 11.159 ( -11.765 -14.648 0.000) 18.788 11.238 ( -12.595 -5.450 0.000) 13.724 11.275 ( -5.159 -6.580 0.000) 8.362 11.455 ( -1.629 1.865 0.000) 2.477 11.648 ( -3.877 -12.768 0.000) 13.344 11.980 ( -0.907 -2.320 0.000) 2.491 11.998 ( -1.740 1.848 0.000) 2.538 12.166 ( 1.076 -6.101 0.000) 6.196 12.350 ( -0.305 -15.183 0.000) 15.186 12.427 ( 1.792 -1.356 0.000) 2.248 12.713 ( -9.368 8.856 0.000) 12.891 12.805 ( -13.291 -6.549 0.000) 14.817 12.882 ( -1.173 -14.712 0.000) 14.758 13.073 ( -0.778 -3.413 0.000) 3.500 13.223 ( 1.953 5.685 0.000) 6.011 13.242 ( -5.843 -1.000 0.000) 5.928 13.324 ( -9.459 -3.955 0.000) 10.253 13.487 ( 3.977 5.875 0.000) 7.094 13.491 ( 4.907 4.885 0.000) 6.924 13.608 ( 12.764 8.324 0.000) 15.238 13.901 ( 3.979 8.175 0.000) 9.092 13.904 ( 4.775 -0.869 0.000) 4.854 14.010 ( 3.664 5.952 0.000) 6.989 14.336 ( 3.827 -2.118 0.000) 4.375 14.350 ( 4.508 2.200 0.000) 5.016 14.688 ( -4.827 -5.200 0.000) 7.095 14.724 ( -0.158 -0.659 0.000) 0.677 14.779 ( 9.552 7.078 0.000) 11.889 15.035 ( -9.913 -3.864 0.000) 10.639 15.049 ( -8.543 -4.035 0.000) 9.448 15.183 ( -9.064 -7.018 0.000) 11.463 15.451 ( -4.767 5.398 0.000) 7.202 15.600 ( 9.954 0.554 0.000) 9.970 15.834 ( 4.568 12.632 0.000) 13.433 16.105 ( -16.888 4.043 0.000) 17.365 16.403 ( -15.472 -2.914 0.000) 15.744 16.443 ( -1.254 3.620 0.000) 3.831 16.640 ( -8.952 -6.232 0.000) 10.908 16.891 ( -12.329 -5.559 0.000) 13.524 20.034 ( -7.357 -1.710 0.000) 7.553 20.272 ( -1.213 0.328 0.000) 1.257 20.744 ( -5.314 -10.104 0.000) 11.416 21.076 ( 0.744 -7.041 0.000) 7.080 21.539 ( -6.835 -0.161 0.000) 6.837 21.832 ( -6.897 -3.710 0.000) 7.831 22.710 ( -6.698 -1.872 0.000) 6.955 22.749 ( -6.350 0.107 0.000) 6.351 23.222 ( 5.729 -2.458 0.000) 6.234 23.281 ( -0.402 0.074 0.000) 0.409 23.833 ( -5.104 -5.095 0.000) 7.212 23.894 ( -1.400 -4.881 0.000) 5.078 ======================= Grid point 37 (23/60) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -2.432 -3.464 0.000) 4.232 2.104 ( -16.296 3.426 0.000) 16.652 2.349 ( 3.177 4.405 0.000) 5.431 2.399 ( -5.732 -8.996 0.000) 10.667 2.765 ( -0.029 -13.171 0.000) 13.171 2.822 ( -12.315 -0.379 0.000) 12.321 3.029 ( -8.528 -0.371 0.000) 8.536 3.108 ( 3.973 -12.900 0.000) 13.498 3.561 ( -0.086 -4.206 0.000) 4.206 3.571 ( -1.292 -3.129 0.000) 3.385 4.204 ( 12.835 1.819 0.000) 12.963 4.324 ( -0.085 -8.277 0.000) 8.277 4.566 ( -6.487 16.906 0.000) 18.108 4.844 ( -9.472 -5.067 0.000) 10.742 5.084 ( 7.332 -3.054 0.000) 7.943 5.353 ( -12.718 -21.709 0.000) 25.160 5.722 ( -18.255 -25.690 0.000) 31.515 5.841 ( -8.242 -9.736 0.000) 12.756 5.933 ( -11.563 -19.646 0.000) 22.796 6.123 ( -8.205 -7.272 0.000) 10.964 6.198 ( 9.390 4.078 0.000) 10.237 6.406 ( -4.766 -10.936 0.000) 11.929 6.633 ( -2.869 -7.412 0.000) 7.948 6.735 ( -7.820 -1.273 0.000) 7.923 6.876 ( -4.389 6.327 0.000) 7.700 7.062 ( 9.059 7.466 0.000) 11.739 7.062 ( 3.437 1.020 0.000) 3.585 7.310 ( -9.615 14.841 0.000) 17.683 7.357 ( 12.425 9.303 0.000) 15.522 7.481 ( 2.453 2.186 0.000) 3.286 7.614 ( 1.768 12.941 0.000) 13.061 7.811 ( -1.369 -15.367 0.000) 15.428 7.945 ( 2.456 12.402 0.000) 12.642 8.047 ( 7.244 4.888 0.000) 8.739 8.160 ( -2.679 7.173 0.000) 7.657 8.288 ( -0.128 -1.311 0.000) 1.318 8.538 ( 14.457 3.906 0.000) 14.976 8.553 ( -13.763 -1.048 0.000) 13.803 8.618 ( 4.001 6.919 0.000) 7.992 8.656 ( 1.524 -9.830 0.000) 9.947 8.805 ( -3.136 -4.252 0.000) 5.284 8.878 ( -6.968 5.411 0.000) 8.822 9.008 ( -6.362 7.096 0.000) 9.531 9.293 ( -2.661 5.991 0.000) 6.555 9.311 ( 0.703 7.731 0.000) 7.763 9.380 ( 6.428 -1.960 0.000) 6.721 9.634 ( -4.370 -2.078 0.000) 4.839 9.719 ( -6.802 -6.100 0.000) 9.136 9.866 ( -9.892 -7.713 0.000) 12.543 10.119 ( -10.220 -5.546 0.000) 11.628 10.303 ( 2.059 5.946 0.000) 6.293 10.371 ( -10.031 -3.991 0.000) 10.795 10.392 ( 11.421 11.874 0.000) 16.475 10.646 ( -7.573 -9.079 0.000) 11.822 10.764 ( -18.734 -28.050 0.000) 33.731 10.872 ( 1.157 -4.863 0.000) 4.999 11.041 ( -5.388 1.779 0.000) 5.674 11.058 ( 0.653 -1.295 0.000) 1.450 11.163 ( 0.201 -6.606 0.000) 6.609 11.255 ( 7.019 -12.586 0.000) 14.411 11.377 ( -4.965 -1.143 0.000) 5.095 11.595 ( -0.910 -12.595 0.000) 12.628 11.955 ( -0.791 2.435 0.000) 2.560 12.010 ( 2.660 -5.619 0.000) 6.216 12.116 ( -4.317 4.523 0.000) 6.252 12.225 ( -12.529 -10.567 0.000) 16.390 12.452 ( -16.858 -3.506 0.000) 17.219 12.498 ( -12.024 -0.430 0.000) 12.032 12.558 ( 6.396 -9.106 0.000) 11.128 12.859 ( -0.430 -12.890 0.000) 12.897 13.056 ( -1.476 1.499 0.000) 2.104 13.134 ( -4.023 -0.003 0.000) 4.023 13.252 ( 2.802 -0.876 0.000) 2.935 13.330 ( 6.966 7.678 0.000) 10.367 13.574 ( 3.438 5.081 0.000) 6.135 13.592 ( 5.863 9.991 0.000) 11.585 13.831 ( 7.545 8.969 0.000) 11.720 13.979 ( 3.946 7.745 0.000) 8.692 13.996 ( 5.540 -1.687 0.000) 5.791 14.075 ( 1.581 5.447 0.000) 5.672 14.422 ( 1.993 2.587 0.000) 3.266 14.444 ( 4.985 1.511 0.000) 5.209 14.572 ( -3.428 -5.508 0.000) 6.488 14.744 ( -3.075 0.468 0.000) 3.110 14.823 ( 4.521 -2.073 0.000) 4.974 14.866 ( -5.005 -4.718 0.000) 6.878 15.062 ( 1.704 1.867 0.000) 2.528 15.077 ( -3.755 2.417 0.000) 4.466 15.412 ( 0.174 14.352 0.000) 14.353 15.660 ( -4.896 6.505 0.000) 8.142 15.849 ( -5.635 5.204 0.000) 7.671 15.948 ( 6.345 14.526 0.000) 15.851 16.208 ( -3.514 1.279 0.000) 3.740 16.344 ( -7.329 8.410 0.000) 11.155 16.481 ( -6.987 -0.495 0.000) 7.004 16.616 ( -14.649 -3.415 0.000) 15.042 19.949 ( -0.945 -7.996 0.000) 8.051 20.226 ( -4.057 -9.959 0.000) 10.754 20.695 ( 1.220 -5.861 0.000) 5.986 21.075 ( -1.516 -3.351 0.000) 3.678 21.397 ( -6.069 -9.344 0.000) 11.142 21.666 ( -9.277 -8.318 0.000) 12.459 22.582 ( -5.406 -2.367 0.000) 5.902 22.625 ( -5.708 -2.148 0.000) 6.099 23.269 ( -0.575 -0.563 0.000) 0.804 23.284 ( 0.890 -4.195 0.000) 4.288 23.738 ( -3.928 -6.283 0.000) 7.410 23.819 ( -5.066 -6.227 0.000) 8.028 ======================= Grid point 38 (24/60) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 1.437 -8.575 0.000) 8.695 1.986 ( 7.567 -10.402 0.000) 12.863 2.187 ( -10.121 -13.233 0.000) 16.659 2.304 ( -10.527 -3.489 0.000) 11.090 2.686 ( 2.796 -6.944 0.000) 7.486 2.824 ( -6.506 -7.645 0.000) 10.039 2.951 ( 9.718 -22.881 0.000) 24.859 3.125 ( -3.713 -21.271 0.000) 21.593 3.533 ( -1.673 -1.696 0.000) 2.382 3.535 ( -1.872 -4.093 0.000) 4.501 4.348 ( 1.785 -3.445 0.000) 3.880 4.374 ( 1.573 3.559 0.000) 3.891 4.529 ( 6.218 -10.922 0.000) 12.568 4.733 ( -2.730 -19.551 0.000) 19.741 4.967 ( -14.698 -37.637 0.000) 40.406 5.097 ( -12.356 -22.561 0.000) 25.723 5.502 ( 5.966 -19.893 0.000) 20.768 5.729 ( -11.954 -17.525 0.000) 21.214 5.804 ( 1.237 -9.020 0.000) 9.104 5.878 ( -7.337 -9.715 0.000) 12.175 6.383 ( 8.932 -0.900 0.000) 8.977 6.494 ( 4.562 -3.710 0.000) 5.880 6.554 ( -4.876 -7.624 0.000) 9.050 6.605 ( -5.019 -5.290 0.000) 7.292 6.842 ( 3.069 9.698 0.000) 10.172 7.005 ( -10.811 8.311 0.000) 13.636 7.205 ( 2.956 1.504 0.000) 3.316 7.235 ( 3.992 -0.404 0.000) 4.012 7.495 ( 1.714 2.266 0.000) 2.842 7.528 ( 2.775 1.678 0.000) 3.243 7.707 ( 7.886 2.607 0.000) 8.305 7.837 ( -1.096 -9.066 0.000) 9.132 8.012 ( 4.728 9.689 0.000) 10.781 8.080 ( -2.328 7.528 0.000) 7.880 8.192 ( -4.928 2.559 0.000) 5.553 8.281 ( -6.861 1.712 0.000) 7.071 8.317 ( 10.210 4.313 0.000) 11.084 8.577 ( -10.036 0.584 0.000) 10.053 8.673 ( 0.370 -5.204 0.000) 5.218 8.728 ( -4.074 -6.616 0.000) 7.770 8.786 ( 6.911 2.590 0.000) 7.381 8.935 ( -3.932 6.818 0.000) 7.871 8.996 ( 19.378 6.950 0.000) 20.587 9.294 ( -6.049 3.716 0.000) 7.099 9.302 ( 6.311 -0.461 0.000) 6.328 9.484 ( 2.511 2.824 0.000) 3.779 9.486 ( -8.744 7.908 0.000) 11.790 9.596 ( -12.509 -6.363 0.000) 14.034 9.739 ( 10.020 -12.663 0.000) 16.148 10.013 ( 0.712 -5.740 0.000) 5.784 10.057 ( -19.198 -11.693 0.000) 22.479 10.164 ( -13.789 -14.835 0.000) 20.253 10.539 ( 3.735 0.253 0.000) 3.743 10.564 ( 3.898 3.585 0.000) 5.295 10.781 ( 8.000 -3.643 0.000) 8.791 10.895 ( -1.561 -4.386 0.000) 4.656 10.949 ( -3.060 3.888 0.000) 4.948 10.962 ( -2.534 1.204 0.000) 2.806 11.206 ( -2.139 -5.676 0.000) 6.066 11.245 ( -5.152 -9.424 0.000) 10.740 11.459 ( 15.287 -10.268 0.000) 18.416 11.704 ( 7.812 -12.847 0.000) 15.035 11.840 ( -12.893 -5.649 0.000) 14.076 11.986 ( -10.706 -1.549 0.000) 10.818 12.036 ( 0.302 2.150 0.000) 2.171 12.076 ( 1.391 -11.184 0.000) 11.270 12.167 ( -5.086 2.920 0.000) 5.865 12.270 ( -9.667 -6.308 0.000) 11.543 12.710 ( 7.074 -7.287 0.000) 10.156 12.822 ( -3.886 -9.353 0.000) 10.128 13.050 ( 0.639 5.353 0.000) 5.391 13.073 ( -1.969 4.499 0.000) 4.911 13.351 ( 5.592 0.194 0.000) 5.595 13.424 ( 0.024 1.576 0.000) 1.576 13.655 ( 4.954 6.626 0.000) 8.273 13.690 ( 2.574 7.422 0.000) 7.855 13.917 ( 3.217 8.059 0.000) 8.677 14.004 ( -4.048 9.907 0.000) 10.702 14.085 ( 2.129 0.540 0.000) 2.197 14.098 ( 2.431 1.067 0.000) 2.655 14.448 ( 0.779 2.700 0.000) 2.810 14.453 ( -0.315 3.619 0.000) 3.632 14.640 ( 4.103 -2.071 0.000) 4.596 14.684 ( -2.051 -0.581 0.000) 2.132 14.829 ( 1.157 -1.687 0.000) 2.046 14.860 ( -1.085 0.069 0.000) 1.088 15.026 ( -0.200 7.598 0.000) 7.601 15.072 ( -1.724 4.429 0.000) 4.753 15.401 ( 1.269 17.346 0.000) 17.393 15.505 ( -7.930 11.034 0.000) 13.588 15.920 ( 9.401 0.268 0.000) 9.405 16.042 ( 0.767 7.576 0.000) 7.615 16.199 ( 1.302 9.071 0.000) 9.164 16.229 ( -3.099 12.014 0.000) 12.407 16.343 ( -6.222 6.767 0.000) 9.193 16.346 ( -9.785 2.484 0.000) 10.096 19.991 ( 4.666 -13.893 0.000) 14.656 20.112 ( -6.664 -15.790 0.000) 17.139 20.795 ( 8.057 -1.501 0.000) 8.196 20.974 ( -8.405 0.523 0.000) 8.422 21.362 ( 2.993 -15.621 0.000) 15.906 21.484 ( -8.293 -12.937 0.000) 15.367 22.513 ( -1.235 -3.179 0.000) 3.411 22.534 ( -3.100 -3.372 0.000) 4.580 23.265 ( 0.308 -2.354 0.000) 2.375 23.279 ( -0.833 -3.955 0.000) 4.042 23.692 ( -0.402 -7.385 0.000) 7.396 23.725 ( -3.625 -7.309 0.000) 8.159 ======================= Grid point 44 (25/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.000 12.065 0.000) 12.065 2.392 ( 0.000 9.736 0.000) 9.736 2.884 ( 0.000 6.080 0.000) 6.080 2.911 ( 0.000 15.435 0.000) 15.435 2.940 ( 0.000 -6.616 0.000) 6.616 2.962 ( 0.000 -1.709 0.000) 1.709 2.977 ( 0.000 -7.465 0.000) 7.465 3.178 ( 0.000 -8.018 0.000) 8.018 3.600 ( 0.000 8.537 0.000) 8.537 3.638 ( 0.000 21.105 0.000) 21.105 3.713 ( 0.000 -2.696 0.000) 2.696 4.039 ( 0.000 -18.169 0.000) 18.169 5.425 ( 0.000 20.851 0.000) 20.851 5.651 ( 0.000 7.730 0.000) 7.730 5.857 ( 0.000 13.147 0.000) 13.147 5.932 ( 0.000 5.323 0.000) 5.323 5.933 ( 0.000 7.226 0.000) 7.226 6.155 ( 0.000 -6.732 0.000) 6.732 6.495 ( 0.000 17.864 0.000) 17.864 6.563 ( 0.000 56.351 0.000) 56.351 6.723 ( 0.000 40.291 0.000) 40.291 6.791 ( 0.000 -10.826 0.000) 10.826 6.980 ( 0.000 8.074 0.000) 8.074 6.982 ( 0.000 13.410 0.000) 13.410 7.347 ( 0.000 -11.565 0.000) 11.565 7.487 ( 0.000 16.437 0.000) 16.437 7.565 ( 0.000 7.409 0.000) 7.409 7.638 ( 0.000 -43.955 0.000) 43.955 7.785 ( 0.000 16.100 0.000) 16.100 7.906 ( 0.000 10.062 0.000) 10.062 8.071 ( 0.000 14.072 0.000) 14.072 8.225 ( 0.000 -8.887 0.000) 8.887 8.291 ( 0.000 7.532 0.000) 7.532 8.311 ( 0.000 7.951 0.000) 7.951 8.437 ( 0.000 26.905 0.000) 26.905 8.487 ( 0.000 -1.806 0.000) 1.806 8.556 ( 0.000 -7.187 0.000) 7.187 8.638 ( 0.000 12.645 0.000) 12.645 8.694 ( 0.000 -4.901 0.000) 4.901 8.895 ( 0.000 -19.494 0.000) 19.494 9.094 ( 0.000 2.418 0.000) 2.418 9.227 ( 0.000 15.954 0.000) 15.954 9.285 ( 0.000 16.821 0.000) 16.821 9.309 ( 0.000 0.918 0.000) 0.918 9.350 ( 0.000 -26.324 0.000) 26.324 9.627 ( 0.000 -6.999 0.000) 6.999 9.659 ( 0.000 -7.559 0.000) 7.559 9.701 ( 0.000 -17.217 0.000) 17.217 10.229 ( 0.000 0.050 0.000) 0.050 10.230 ( 0.000 8.631 0.000) 8.631 10.302 ( 0.000 -5.113 0.000) 5.113 10.453 ( 0.000 -12.936 0.000) 12.936 10.667 ( 0.000 5.431 0.000) 5.431 10.873 ( 0.000 -9.731 0.000) 9.731 10.998 ( 0.000 5.912 0.000) 5.912 11.176 ( 0.000 -8.810 0.000) 8.810 11.251 ( 0.000 7.473 0.000) 7.473 11.280 ( 0.000 2.564 0.000) 2.564 11.366 ( 0.000 -1.622 0.000) 1.622 11.391 ( 0.000 12.909 0.000) 12.909 11.409 ( 0.000 -9.621 0.000) 9.621 11.680 ( 0.000 -14.596 0.000) 14.596 11.693 ( 0.000 1.086 0.000) 1.086 11.801 ( 0.000 -10.293 0.000) 10.293 11.959 ( 0.000 1.332 0.000) 1.332 12.051 ( 0.000 -7.507 0.000) 7.507 12.480 ( 0.000 1.500 0.000) 1.500 12.677 ( 0.000 -12.323 0.000) 12.323 12.904 ( 0.000 -7.020 0.000) 7.020 12.917 ( 0.000 -4.792 0.000) 4.792 13.051 ( 0.000 11.494 0.000) 11.494 13.169 ( 0.000 6.402 0.000) 6.402 13.207 ( 0.000 2.008 0.000) 2.008 13.216 ( 0.000 1.450 0.000) 1.450 13.326 ( 0.000 -15.334 0.000) 15.334 13.342 ( 0.000 -10.113 0.000) 10.113 13.454 ( 0.000 1.595 0.000) 1.595 13.528 ( 0.000 -5.465 0.000) 5.465 14.059 ( 0.000 2.027 0.000) 2.027 14.117 ( 0.000 -2.930 0.000) 2.930 14.123 ( 0.000 10.977 0.000) 10.977 14.357 ( 0.000 -11.545 0.000) 11.545 14.462 ( 0.000 8.350 0.000) 8.350 14.594 ( 0.000 -3.282 0.000) 3.282 15.095 ( 0.000 15.838 0.000) 15.838 15.382 ( 0.000 16.252 0.000) 16.252 15.434 ( 0.000 -17.213 0.000) 17.213 15.444 ( 0.000 17.354 0.000) 17.354 15.739 ( 0.000 -18.624 0.000) 18.624 15.857 ( 0.000 -22.513 0.000) 22.513 16.238 ( 0.000 16.037 0.000) 16.037 16.576 ( 0.000 -16.934 0.000) 16.934 16.601 ( 0.000 15.940 0.000) 15.940 16.885 ( 0.000 11.846 0.000) 11.846 16.912 ( 0.000 -14.016 0.000) 14.016 17.106 ( 0.000 -9.864 0.000) 9.864 20.480 ( 0.000 3.660 0.000) 3.660 20.514 ( 0.000 -0.383 0.000) 0.383 21.030 ( 0.000 2.333 0.000) 2.333 21.060 ( 0.000 -0.708 0.000) 0.708 21.809 ( 0.000 3.166 0.000) 3.166 21.865 ( 0.000 -2.645 0.000) 2.645 22.907 ( 0.000 12.011 0.000) 12.011 22.974 ( 0.000 7.419 0.000) 7.419 23.112 ( 0.000 -8.622 0.000) 8.622 23.127 ( 0.000 -6.711 0.000) 6.711 23.574 ( 0.000 12.117 0.000) 12.117 23.821 ( 0.000 -11.276 0.000) 11.276 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 5.103 10.397 0.000) 11.582 2.451 ( 4.978 9.440 0.000) 10.672 2.700 ( -10.027 4.510 0.000) 10.995 2.736 ( -9.877 6.252 0.000) 11.690 3.032 ( 5.912 -2.607 0.000) 6.461 3.076 ( 4.214 -7.209 0.000) 8.351 3.093 ( 5.543 1.509 0.000) 5.745 3.213 ( 4.364 -5.912 0.000) 7.348 3.567 ( -1.583 13.649 0.000) 13.741 3.722 ( -0.122 -1.713 0.000) 1.717 3.801 ( 12.327 16.292 0.000) 20.430 4.127 ( 7.926 -14.818 0.000) 16.805 5.254 ( -14.631 24.684 0.000) 28.695 5.555 ( -7.691 1.618 0.000) 7.860 5.869 ( -3.841 14.119 0.000) 14.632 5.904 ( -2.606 9.823 0.000) 10.162 5.959 ( 4.839 4.986 0.000) 6.948 6.138 ( -2.491 -1.442 0.000) 2.879 6.549 ( -11.927 34.497 0.000) 36.501 6.570 ( 6.749 16.660 0.000) 17.975 6.690 ( 4.508 28.310 0.000) 28.666 6.812 ( -16.532 8.667 0.000) 18.666 6.830 ( -1.325 7.937 0.000) 8.047 6.927 ( 2.088 9.099 0.000) 9.335 7.166 ( -12.878 -5.614 0.000) 14.049 7.419 ( -9.961 1.758 0.000) 10.115 7.478 ( -9.098 -1.172 0.000) 9.173 7.532 ( -10.207 -32.860 0.000) 34.408 7.719 ( -3.624 15.806 0.000) 16.216 7.826 ( -6.359 11.794 0.000) 13.399 7.967 ( -8.522 18.465 0.000) 20.337 8.160 ( -7.891 -4.313 0.000) 8.993 8.303 ( -2.719 12.300 0.000) 12.597 8.339 ( 2.286 1.062 0.000) 2.521 8.356 ( -2.891 15.951 0.000) 16.211 8.463 ( -3.634 -14.320 0.000) 14.774 8.557 ( -2.314 -4.408 0.000) 4.979 8.596 ( -2.987 11.336 0.000) 11.723 8.652 ( -5.144 -3.581 0.000) 6.267 8.844 ( -1.097 -18.870 0.000) 18.902 9.143 ( 3.469 4.391 0.000) 5.596 9.240 ( 1.787 5.017 0.000) 5.326 9.277 ( -5.144 1.983 0.000) 5.513 9.310 ( -2.095 -2.258 0.000) 3.080 9.474 ( 11.725 4.153 0.000) 12.439 9.480 ( -7.835 -2.197 0.000) 8.137 9.623 ( -2.484 -5.884 0.000) 6.387 9.785 ( 3.834 -8.586 0.000) 9.403 10.154 ( -5.573 -0.477 0.000) 5.593 10.226 ( -3.330 -7.950 0.000) 8.619 10.264 ( 1.044 9.075 0.000) 9.135 10.541 ( 2.202 -16.338 0.000) 16.485 10.671 ( 3.313 4.699 0.000) 5.750 10.710 ( -8.785 5.078 0.000) 10.147 10.984 ( -1.537 1.503 0.000) 2.150 11.120 ( -8.637 5.522 0.000) 10.251 11.123 ( -7.336 -9.723 0.000) 12.180 11.258 ( -7.567 -5.567 0.000) 9.395 11.353 ( 0.497 -3.035 0.000) 3.075 11.405 ( -1.121 -5.543 0.000) 5.656 11.496 ( 6.635 13.571 0.000) 15.106 11.701 ( 1.999 -3.674 0.000) 4.183 11.709 ( 1.441 -8.069 0.000) 8.196 11.752 ( -2.902 -8.446 0.000) 8.931 12.018 ( 4.903 -3.674 0.000) 6.127 12.060 ( 1.134 -6.287 0.000) 6.389 12.570 ( 3.193 0.930 0.000) 3.326 12.736 ( 0.779 -13.812 0.000) 13.834 12.849 ( -2.938 -0.851 0.000) 3.059 12.850 ( -4.105 1.990 0.000) 4.562 13.034 ( 4.480 1.672 0.000) 4.782 13.168 ( 0.384 -0.669 0.000) 0.772 13.241 ( 4.895 0.515 0.000) 4.922 13.261 ( 0.208 -10.129 0.000) 10.131 13.348 ( 11.017 10.758 0.000) 15.399 13.439 ( -1.599 1.516 0.000) 2.203 13.492 ( -0.373 -4.700 0.000) 4.715 13.585 ( 10.412 -9.858 0.000) 14.338 14.004 ( -3.147 0.487 0.000) 3.185 14.013 ( -3.563 0.779 0.000) 3.647 14.333 ( 13.387 8.486 0.000) 15.850 14.404 ( -2.285 6.302 0.000) 6.704 14.521 ( -6.964 -1.104 0.000) 7.051 14.554 ( 12.819 -9.463 0.000) 15.933 15.107 ( -1.071 14.187 0.000) 14.228 15.181 ( -19.417 11.045 0.000) 22.339 15.287 ( -7.946 5.992 0.000) 9.952 15.433 ( -1.546 -16.210 0.000) 16.283 15.726 ( -6.502 -9.992 0.000) 11.921 15.731 ( -10.872 -14.696 0.000) 18.281 16.107 ( -10.153 13.194 0.000) 16.648 16.301 ( -11.490 -2.537 0.000) 11.767 16.712 ( -1.473 -1.215 0.000) 1.910 16.846 ( -7.205 -10.631 0.000) 12.843 16.847 ( -3.016 10.898 0.000) 11.308 17.058 ( -4.289 -9.502 0.000) 10.425 20.456 ( -2.450 3.061 0.000) 3.920 20.463 ( -5.351 1.564 0.000) 5.575 20.955 ( -8.774 -0.960 0.000) 8.826 20.968 ( -4.792 -1.732 0.000) 5.095 21.831 ( 0.589 4.801 0.000) 4.837 21.902 ( 1.967 -2.477 0.000) 3.163 22.893 ( -1.864 2.706 0.000) 3.286 22.903 ( -4.745 1.538 0.000) 4.988 23.124 ( 1.229 4.183 0.000) 4.360 23.186 ( 4.783 -3.214 0.000) 5.762 23.674 ( 7.653 5.703 0.000) 9.545 23.832 ( 0.807 -8.672 0.000) 8.710 ======================= Grid point 46 (27/60) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -2.643 5.799 0.000) 6.373 2.499 ( -7.346 11.618 0.000) 13.746 2.551 ( 1.170 2.881 0.000) 3.109 2.610 ( 1.147 3.672 0.000) 3.847 3.096 ( -1.650 -4.370 0.000) 4.671 3.146 ( -0.452 -3.973 0.000) 3.998 3.194 ( 8.529 3.805 0.000) 9.339 3.329 ( 5.450 -3.708 0.000) 6.592 3.493 ( -6.684 13.404 0.000) 14.978 3.636 ( -9.508 2.117 0.000) 9.741 4.034 ( 7.984 14.463 0.000) 16.520 4.268 ( 2.437 -9.059 0.000) 9.381 4.978 ( -8.386 22.159 0.000) 23.693 5.333 ( -13.103 -6.253 0.000) 14.518 5.836 ( 0.821 16.487 0.000) 16.507 5.861 ( -3.998 9.994 0.000) 10.764 5.988 ( -3.571 -1.849 0.000) 4.021 6.006 ( -11.696 23.281 0.000) 26.054 6.181 ( -17.976 -7.143 0.000) 19.343 6.301 ( -25.663 1.849 0.000) 25.729 6.558 ( -15.977 18.962 0.000) 24.796 6.776 ( 0.482 6.524 0.000) 6.542 6.934 ( -4.722 -4.246 0.000) 6.350 6.955 ( 0.428 4.106 0.000) 4.128 7.022 ( 11.164 0.834 0.000) 11.195 7.077 ( -20.393 -1.866 0.000) 20.478 7.244 ( -10.794 -0.116 0.000) 10.795 7.300 ( -13.775 -8.530 0.000) 16.202 7.650 ( -5.680 10.203 0.000) 11.677 7.764 ( 2.257 11.713 0.000) 11.929 7.812 ( -2.312 13.817 0.000) 14.009 7.872 ( -18.134 -5.146 0.000) 18.850 8.223 ( -3.645 13.873 0.000) 14.344 8.335 ( 1.474 -4.552 0.000) 4.784 8.369 ( -4.154 -14.628 0.000) 15.206 8.388 ( -1.146 4.147 0.000) 4.303 8.466 ( -10.354 4.246 0.000) 11.191 8.480 ( -11.097 -3.593 0.000) 11.664 8.536 ( 1.786 -2.432 0.000) 3.017 8.844 ( -2.112 -16.556 0.000) 16.690 9.032 ( -10.999 12.397 0.000) 16.573 9.191 ( -7.254 -3.983 0.000) 8.276 9.208 ( -1.572 6.436 0.000) 6.625 9.298 ( 3.011 0.901 0.000) 3.143 9.444 ( 2.770 7.781 0.000) 8.260 9.591 ( 0.146 -5.020 0.000) 5.023 9.713 ( 9.561 9.825 0.000) 13.709 9.808 ( -1.817 4.853 0.000) 5.182 10.005 ( -9.008 -1.395 0.000) 9.115 10.201 ( -0.190 -16.183 0.000) 16.184 10.306 ( 3.608 8.716 0.000) 9.433 10.546 ( 0.511 -15.611 0.000) 15.620 10.608 ( -3.819 13.523 0.000) 14.052 10.752 ( 1.026 3.274 0.000) 3.431 10.885 ( -12.979 -6.259 0.000) 14.409 10.922 ( -4.548 -3.300 0.000) 5.619 10.948 ( -7.978 0.365 0.000) 7.986 11.091 ( -10.092 -11.551 0.000) 15.339 11.284 ( -4.926 1.858 0.000) 5.265 11.387 ( -1.013 -2.143 0.000) 2.370 11.536 ( -2.897 3.201 0.000) 4.317 11.556 ( -11.170 -6.995 0.000) 13.180 11.840 ( 10.915 -5.107 0.000) 12.050 11.855 ( 7.362 -3.030 0.000) 7.962 12.084 ( 0.671 -0.513 0.000) 0.845 12.114 ( 3.857 -5.156 0.000) 6.439 12.497 ( -7.083 0.720 0.000) 7.119 12.629 ( -6.984 -12.620 0.000) 14.424 12.795 ( -2.080 -2.127 0.000) 2.975 12.832 ( -0.536 -3.573 0.000) 3.613 13.189 ( -3.365 6.629 0.000) 7.434 13.229 ( 8.708 3.374 0.000) 9.339 13.342 ( -3.179 -1.309 0.000) 3.438 13.380 ( 11.845 -3.679 0.000) 12.403 13.418 ( 8.195 0.415 0.000) 8.206 13.427 ( -4.691 -2.461 0.000) 5.298 13.581 ( 11.855 12.809 0.000) 17.453 13.806 ( 10.788 -7.579 0.000) 13.184 13.954 ( -2.620 2.562 0.000) 3.664 13.973 ( 0.168 -0.122 0.000) 0.207 14.338 ( -3.031 3.581 0.000) 4.692 14.358 ( -6.484 1.752 0.000) 6.716 14.615 ( 11.974 7.181 0.000) 13.963 14.739 ( -1.796 -2.836 0.000) 3.357 14.864 ( -8.247 4.839 0.000) 9.562 15.001 ( -0.581 -8.126 0.000) 8.146 15.188 ( -6.853 -1.688 0.000) 7.058 15.276 ( -17.424 -9.053 0.000) 19.635 15.490 ( -7.204 -0.799 0.000) 7.249 15.524 ( -4.860 -2.159 0.000) 5.317 16.012 ( 2.228 13.630 0.000) 13.811 16.254 ( 4.263 -8.287 0.000) 9.319 16.531 ( -14.135 1.013 0.000) 14.171 16.619 ( -14.528 -6.689 0.000) 15.994 16.777 ( -5.283 6.299 0.000) 8.221 16.943 ( -7.462 -8.604 0.000) 11.389 20.298 ( -10.622 4.977 0.000) 11.730 20.374 ( -6.050 -0.494 0.000) 6.070 20.776 ( -7.873 0.606 0.000) 7.896 20.888 ( -2.747 -8.459 0.000) 8.894 21.783 ( -5.734 6.268 0.000) 8.495 21.884 ( -4.353 -3.631 0.000) 5.669 22.807 ( -5.170 -0.277 0.000) 5.177 22.827 ( -4.620 -2.604 0.000) 5.303 23.183 ( 3.686 6.714 0.000) 7.660 23.260 ( 2.322 -1.399 0.000) 2.711 23.799 ( 3.632 -0.646 0.000) 3.689 23.832 ( -1.334 -3.738 0.000) 3.969 ======================= Grid point 47 (28/60) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -9.843 12.868 0.000) 16.201 2.409 ( -4.196 2.578 0.000) 4.925 2.531 ( -4.780 6.169 0.000) 7.804 2.660 ( -0.105 -1.913 0.000) 1.916 2.952 ( -15.656 0.909 0.000) 15.683 2.988 ( -16.282 3.178 0.000) 16.589 3.225 ( -13.229 10.562 0.000) 16.928 3.281 ( -11.764 7.756 0.000) 14.091 3.406 ( 4.399 -1.687 0.000) 4.712 3.496 ( 0.366 -4.525 0.000) 4.540 4.057 ( -3.257 2.167 0.000) 3.912 4.178 ( -8.374 -11.815 0.000) 14.482 4.983 ( 5.306 13.924 0.000) 14.901 5.148 ( -6.158 -0.044 0.000) 6.158 5.466 ( -28.664 16.867 0.000) 33.259 5.558 ( -27.167 -3.150 0.000) 27.349 5.740 ( -15.191 -5.247 0.000) 16.072 5.842 ( -8.070 -4.274 0.000) 9.132 6.083 ( -14.371 4.079 0.000) 14.939 6.133 ( 6.274 4.021 0.000) 7.452 6.150 ( -4.102 4.735 0.000) 6.264 6.374 ( -31.040 -21.062 0.000) 37.511 6.663 ( -17.417 -1.945 0.000) 17.525 6.805 ( -15.114 -12.303 0.000) 19.488 7.025 ( 0.522 2.351 0.000) 2.408 7.053 ( -0.751 -0.736 0.000) 1.052 7.153 ( 3.472 11.651 0.000) 12.158 7.314 ( 9.964 4.733 0.000) 11.031 7.563 ( -2.014 3.430 0.000) 3.977 7.571 ( -8.832 -2.426 0.000) 9.159 7.839 ( 1.793 10.996 0.000) 11.141 7.891 ( 4.452 4.209 0.000) 6.127 8.151 ( -12.577 1.283 0.000) 12.642 8.179 ( -11.842 1.493 0.000) 11.936 8.199 ( 0.653 13.446 0.000) 13.461 8.350 ( -3.654 3.526 0.000) 5.078 8.407 ( 4.120 -8.557 0.000) 9.497 8.413 ( 4.887 -3.779 0.000) 6.178 8.611 ( 4.526 -6.316 0.000) 7.771 8.706 ( -10.293 -9.572 0.000) 14.056 8.890 ( -3.591 14.801 0.000) 15.230 9.073 ( -5.291 -3.691 0.000) 6.451 9.174 ( -0.925 10.574 0.000) 10.614 9.357 ( 2.970 -1.205 0.000) 3.206 9.509 ( 2.971 9.377 0.000) 9.836 9.608 ( 1.068 -1.595 0.000) 1.919 9.704 ( -10.459 18.146 0.000) 20.944 9.788 ( -10.415 -3.516 0.000) 10.992 9.793 ( -3.734 -5.484 0.000) 6.635 10.171 ( -3.237 -23.019 0.000) 23.245 10.371 ( -3.176 8.152 0.000) 8.749 10.486 ( -3.583 9.987 0.000) 10.610 10.533 ( -4.354 -5.506 0.000) 7.019 10.613 ( -5.273 3.736 0.000) 6.462 10.767 ( -15.320 -13.362 0.000) 20.328 10.811 ( -4.898 -2.945 0.000) 5.715 10.864 ( 0.176 -5.573 0.000) 5.576 10.869 ( 0.379 -4.383 0.000) 4.399 11.227 ( -1.059 3.871 0.000) 4.014 11.292 ( -9.217 4.788 0.000) 10.386 11.406 ( -2.059 -11.060 0.000) 11.250 11.420 ( -7.791 -5.575 0.000) 9.581 11.976 ( 3.856 1.173 0.000) 4.031 12.021 ( 1.335 -2.493 0.000) 2.828 12.120 ( 7.906 3.483 0.000) 8.639 12.151 ( -0.400 -3.281 0.000) 3.306 12.369 ( -5.387 -1.401 0.000) 5.566 12.541 ( -1.073 -15.451 0.000) 15.489 12.727 ( -7.938 0.933 0.000) 7.993 12.793 ( -7.773 -2.868 0.000) 8.285 13.062 ( -4.498 2.564 0.000) 5.177 13.136 ( -8.120 -4.485 0.000) 9.276 13.325 ( -3.109 3.335 0.000) 4.560 13.367 ( 3.790 1.878 0.000) 4.230 13.607 ( 6.014 4.233 0.000) 7.355 13.610 ( 8.437 4.132 0.000) 9.394 13.830 ( 13.032 11.974 0.000) 17.698 13.927 ( 0.301 3.643 0.000) 3.655 13.988 ( 3.322 -0.411 0.000) 3.347 14.023 ( 8.014 -5.235 0.000) 9.572 14.339 ( 4.149 1.751 0.000) 4.503 14.362 ( 5.809 -0.560 0.000) 5.836 14.609 ( -5.807 -0.715 0.000) 5.851 14.663 ( -0.775 -4.140 0.000) 4.212 14.895 ( -6.945 2.195 0.000) 7.284 14.931 ( -12.279 -3.828 0.000) 12.862 14.982 ( 2.054 0.435 0.000) 2.100 15.062 ( 2.040 -5.511 0.000) 5.876 15.537 ( 4.805 3.260 0.000) 5.806 15.586 ( 10.971 -1.625 0.000) 11.090 16.120 ( 5.307 14.054 0.000) 15.023 16.211 ( -14.707 5.734 0.000) 15.785 16.330 ( -11.654 -4.413 0.000) 12.462 16.381 ( 5.248 -9.739 0.000) 11.063 16.625 ( -9.206 4.876 0.000) 10.417 16.755 ( -11.022 -7.258 0.000) 13.197 20.071 ( -11.191 5.190 0.000) 12.336 20.211 ( -9.827 -6.895 0.000) 12.005 20.674 ( -2.035 4.380 0.000) 4.829 20.859 ( -0.111 -11.953 0.000) 11.954 21.610 ( -11.001 5.641 0.000) 12.363 21.732 ( -10.339 -5.923 0.000) 11.916 22.687 ( -6.726 -0.126 0.000) 6.727 22.711 ( -6.722 -2.380 0.000) 7.131 23.238 ( 1.412 2.511 0.000) 2.881 23.278 ( -0.419 -0.936 0.000) 1.025 23.771 ( -4.592 -0.684 0.000) 4.643 23.804 ( -2.871 -3.539 0.000) 4.557 ======================= Grid point 48 (29/60) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -15.653 17.808 0.000) 23.710 2.290 ( -12.416 7.360 0.000) 14.433 2.376 ( -9.826 8.761 0.000) 13.164 2.464 ( -14.932 -2.168 0.000) 15.089 2.559 ( -17.539 -8.242 0.000) 19.380 2.666 ( -14.108 -5.768 0.000) 15.242 2.857 ( -18.829 -8.007 0.000) 20.461 3.015 ( -16.270 -4.451 0.000) 16.868 3.471 ( 0.861 -1.606 0.000) 1.822 3.498 ( -1.130 -3.660 0.000) 3.831 4.033 ( -4.696 -13.762 0.000) 14.541 4.049 ( 3.305 -12.511 0.000) 12.941 4.878 ( -19.086 6.641 0.000) 20.208 4.947 ( -19.925 10.666 0.000) 22.600 5.067 ( 0.200 2.754 0.000) 2.761 5.122 ( -20.118 -2.332 0.000) 20.252 5.362 ( -22.517 -1.161 0.000) 22.547 5.664 ( -14.845 -7.736 0.000) 16.740 5.700 ( -10.002 -5.738 0.000) 11.531 5.742 ( -14.976 -24.052 0.000) 28.334 6.274 ( 5.275 4.735 0.000) 7.088 6.346 ( 9.173 3.843 0.000) 9.945 6.451 ( -4.949 -7.925 0.000) 9.344 6.574 ( -5.723 -12.238 0.000) 13.510 6.998 ( -1.750 3.936 0.000) 4.307 7.044 ( -0.145 -1.281 0.000) 1.289 7.241 ( 3.647 10.075 0.000) 10.715 7.424 ( -1.460 -6.459 0.000) 6.622 7.540 ( 4.442 7.296 0.000) 8.542 7.563 ( 0.342 4.040 0.000) 4.055 7.713 ( -11.293 5.169 0.000) 12.420 7.768 ( -7.496 1.699 0.000) 7.686 8.062 ( 2.097 2.733 0.000) 3.445 8.141 ( 2.418 -7.250 0.000) 7.642 8.283 ( -1.870 4.161 0.000) 4.562 8.288 ( 6.091 8.364 0.000) 10.347 8.494 ( -8.272 1.272 0.000) 8.369 8.554 ( 6.008 -2.256 0.000) 6.418 8.558 ( 8.564 -0.205 0.000) 8.566 8.690 ( 3.453 -8.108 0.000) 8.812 8.849 ( -0.211 10.884 0.000) 10.886 8.931 ( -9.558 -0.485 0.000) 9.571 9.186 ( 2.742 11.067 0.000) 11.401 9.372 ( -18.004 4.886 0.000) 18.655 9.399 ( -0.557 0.408 0.000) 0.690 9.578 ( -9.935 -18.719 0.000) 21.192 9.584 ( 3.885 4.110 0.000) 5.656 9.635 ( -1.344 -1.949 0.000) 2.368 9.657 ( -4.140 15.460 0.000) 16.005 10.068 ( -7.318 -20.392 0.000) 21.666 10.132 ( -13.044 3.301 0.000) 13.455 10.241 ( -22.666 -9.793 0.000) 24.691 10.546 ( 0.074 3.779 0.000) 3.779 10.556 ( 4.569 3.633 0.000) 5.838 10.636 ( 3.466 5.035 0.000) 6.112 10.761 ( -0.416 -5.722 0.000) 5.737 10.937 ( 6.361 -4.933 0.000) 8.049 10.973 ( 5.102 -7.556 0.000) 9.117 11.130 ( -5.964 1.587 0.000) 6.171 11.173 ( -6.121 2.268 0.000) 6.528 11.290 ( -2.662 -4.034 0.000) 4.833 11.382 ( 0.210 -8.923 0.000) 8.925 11.977 ( -2.784 1.391 0.000) 3.112 12.008 ( -0.247 0.782 0.000) 0.820 12.079 ( -8.219 0.950 0.000) 8.273 12.221 ( -12.822 -2.179 0.000) 13.006 12.312 ( 6.940 0.515 0.000) 6.959 12.470 ( -14.433 -3.930 0.000) 14.958 12.486 ( -7.643 0.584 0.000) 7.666 12.583 ( 0.860 -12.225 0.000) 12.255 13.122 ( 3.822 0.208 0.000) 3.828 13.125 ( 6.813 1.721 0.000) 7.027 13.297 ( -0.039 6.233 0.000) 6.233 13.418 ( 1.239 -2.025 0.000) 2.374 13.685 ( 3.194 4.931 0.000) 5.875 13.726 ( 3.925 2.061 0.000) 4.433 13.945 ( 2.090 3.623 0.000) 4.182 14.029 ( 1.605 -2.729 0.000) 3.166 14.073 ( 9.126 7.880 0.000) 12.057 14.155 ( 3.254 1.028 0.000) 3.413 14.456 ( 2.340 0.617 0.000) 2.420 14.467 ( 5.674 -1.134 0.000) 5.786 14.550 ( 1.321 6.220 0.000) 6.359 14.710 ( 0.227 -7.445 0.000) 7.449 14.751 ( 0.514 -0.199 0.000) 0.551 14.780 ( -2.948 -3.107 0.000) 4.283 15.088 ( 4.625 0.971 0.000) 4.726 15.101 ( 2.326 -0.048 0.000) 2.327 15.675 ( 7.050 9.663 0.000) 11.961 15.754 ( 3.061 1.477 0.000) 3.399 15.955 ( -9.775 5.572 0.000) 11.251 16.061 ( -5.137 -3.238 0.000) 6.072 16.323 ( 5.638 9.034 0.000) 10.649 16.424 ( -5.352 -0.293 0.000) 5.360 16.487 ( 0.371 0.552 0.000) 0.665 16.528 ( -10.472 -4.064 0.000) 11.233 19.879 ( -7.343 1.582 0.000) 7.512 20.007 ( -9.796 -10.147 0.000) 14.104 20.695 ( 4.036 5.649 0.000) 6.943 20.888 ( 3.129 -12.090 0.000) 12.489 21.362 ( -13.179 3.994 0.000) 13.770 21.493 ( -12.916 -8.179 0.000) 15.288 22.553 ( -6.065 -0.293 0.000) 6.072 22.574 ( -6.450 -2.250 0.000) 6.831 23.241 ( -0.725 -0.274 0.000) 0.775 23.254 ( -1.621 -0.990 0.000) 1.899 23.667 ( -5.085 -0.479 0.000) 5.108 23.710 ( -5.654 -4.226 0.000) 7.059 ======================= Grid point 49 (30/60) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 2.877 4.857 0.000) 5.645 1.992 ( -7.599 11.356 0.000) 13.664 2.105 ( -13.438 6.423 0.000) 14.894 2.206 ( -21.125 -12.467 0.000) 24.530 2.413 ( 1.007 -7.628 0.000) 7.695 2.418 ( 1.853 -18.083 0.000) 18.177 2.589 ( -10.017 -26.235 0.000) 28.082 2.651 ( -17.024 -17.631 0.000) 24.508 3.463 ( -0.669 -1.690 0.000) 1.818 3.468 ( -1.216 -2.521 0.000) 2.799 4.029 ( 4.427 -9.160 0.000) 10.173 4.120 ( 0.084 -17.336 0.000) 17.336 4.604 ( -4.869 4.091 0.000) 6.360 4.692 ( -5.661 8.430 0.000) 10.154 4.734 ( -11.673 4.733 0.000) 12.596 4.787 ( -19.715 -8.779 0.000) 21.582 5.214 ( 4.168 -6.354 0.000) 7.599 5.362 ( -10.515 -17.206 0.000) 20.165 5.647 ( 1.399 -4.654 0.000) 4.860 5.677 ( -1.003 -7.585 0.000) 7.651 6.359 ( 4.324 0.018 0.000) 4.324 6.417 ( 0.159 -5.460 0.000) 5.462 6.447 ( 0.953 0.557 0.000) 1.104 6.499 ( -3.595 -4.135 0.000) 5.479 7.001 ( 2.760 4.778 0.000) 5.518 7.057 ( -0.197 -1.290 0.000) 1.305 7.267 ( -1.857 3.140 0.000) 3.648 7.280 ( -6.722 3.160 0.000) 7.427 7.555 ( 1.942 3.880 0.000) 4.339 7.606 ( -0.604 4.801 0.000) 4.839 7.673 ( 3.956 -6.768 0.000) 7.840 7.710 ( 0.086 -3.122 0.000) 3.124 8.150 ( 5.260 3.080 0.000) 6.096 8.169 ( 3.065 0.877 0.000) 3.188 8.247 ( -3.372 2.689 0.000) 4.313 8.289 ( -6.835 -1.238 0.000) 6.946 8.473 ( 6.396 6.691 0.000) 9.256 8.559 ( -2.322 -4.466 0.000) 5.034 8.670 ( -4.543 7.083 0.000) 8.415 8.682 ( -4.808 7.626 0.000) 9.015 8.795 ( 6.581 -3.203 0.000) 7.319 8.969 ( 2.757 -13.208 0.000) 13.493 9.061 ( -4.380 7.501 0.000) 8.687 9.250 ( -11.244 -8.307 0.000) 13.980 9.317 ( 8.409 4.298 0.000) 9.444 9.457 ( -4.568 -8.096 0.000) 9.296 9.625 ( 1.369 11.314 0.000) 11.397 9.643 ( 0.643 4.161 0.000) 4.210 9.661 ( 3.559 4.852 0.000) 6.017 9.822 ( -14.040 -0.044 0.000) 14.041 9.945 ( -4.883 -4.876 0.000) 6.901 9.954 ( -5.654 -12.322 0.000) 13.557 10.584 ( 2.551 2.952 0.000) 3.902 10.611 ( 0.585 0.882 0.000) 1.059 10.727 ( 4.242 -0.431 0.000) 4.264 10.768 ( 0.094 -4.589 0.000) 4.590 10.991 ( -1.275 0.471 0.000) 1.359 11.010 ( -2.322 -1.142 0.000) 2.588 11.071 ( -0.836 -4.718 0.000) 4.791 11.076 ( -0.937 -5.740 0.000) 5.816 11.370 ( 11.662 1.205 0.000) 11.724 11.478 ( 8.654 -8.983 0.000) 12.473 11.777 ( -17.171 1.323 0.000) 17.222 11.843 ( -16.386 -4.714 0.000) 17.051 11.971 ( -1.630 -3.315 0.000) 3.694 11.986 ( -1.733 -4.232 0.000) 4.574 12.327 ( -0.781 8.324 0.000) 8.361 12.340 ( -1.042 11.361 0.000) 11.409 12.529 ( 5.263 -9.876 0.000) 11.191 12.596 ( -1.133 -12.382 0.000) 12.434 13.193 ( 2.520 6.493 0.000) 6.964 13.215 ( 0.890 8.127 0.000) 8.175 13.338 ( 4.211 -1.440 0.000) 4.451 13.410 ( -2.168 -4.262 0.000) 4.782 13.756 ( 3.258 3.325 0.000) 4.655 13.780 ( 1.139 1.337 0.000) 1.756 13.999 ( 3.100 1.814 0.000) 3.591 14.045 ( -0.595 -2.490 0.000) 2.560 14.166 ( -0.449 4.334 0.000) 4.357 14.167 ( 0.769 3.848 0.000) 3.924 14.493 ( 1.597 1.467 0.000) 2.169 14.506 ( 0.379 0.589 0.000) 0.701 14.631 ( 2.682 1.483 0.000) 3.065 14.663 ( -1.659 -1.346 0.000) 2.137 14.790 ( 2.872 -0.736 0.000) 2.965 14.816 ( 1.260 -2.683 0.000) 2.964 15.154 ( 2.494 3.930 0.000) 4.655 15.166 ( 2.127 2.774 0.000) 3.495 15.730 ( -2.040 9.834 0.000) 10.043 15.735 ( -1.532 14.844 0.000) 14.922 15.880 ( 3.370 -4.232 0.000) 5.409 15.987 ( -4.944 -8.847 0.000) 10.135 16.342 ( -1.341 2.192 0.000) 2.570 16.360 ( -2.885 0.607 0.000) 2.948 16.443 ( 3.128 8.401 0.000) 8.964 16.493 ( -1.166 4.012 0.000) 4.178 19.795 ( -0.832 -4.243 0.000) 4.324 19.846 ( -5.718 -8.999 0.000) 10.662 20.828 ( 8.843 5.013 0.000) 10.165 20.964 ( 1.168 -4.847 0.000) 4.986 21.131 ( -6.040 -2.603 0.000) 6.577 21.242 ( -11.308 -10.144 0.000) 15.191 22.466 ( -2.145 -1.116 0.000) 2.418 22.475 ( -2.972 -1.943 0.000) 3.551 23.224 ( -0.608 -1.307 0.000) 1.441 23.226 ( -0.853 -1.294 0.000) 1.550 23.595 ( -1.623 -1.941 0.000) 2.531 23.613 ( -3.319 -3.515 0.000) 4.834 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 37.515) 37.515 1.180 ( 0.000 0.000 47.550) 47.550 1.569 ( 0.000 0.000 -12.823) 12.823 1.775 ( 0.000 0.000 8.383) 8.383 1.804 ( 0.000 0.000 0.319) 0.319 2.050 ( 0.000 0.000 -28.406) 28.406 2.193 ( 0.000 0.000 78.016) 78.016 2.423 ( 0.000 0.000 14.276) 14.276 2.735 ( 0.000 0.000 4.411) 4.411 2.869 ( 0.000 0.000 -6.874) 6.874 3.133 ( 0.000 0.000 -20.750) 20.750 3.238 ( 0.000 0.000 7.957) 7.957 3.355 ( 0.000 0.000 -8.721) 8.721 3.734 ( 0.000 0.000 -13.005) 13.005 3.769 ( 0.000 0.000 -22.973) 22.973 4.049 ( 0.000 0.000 34.415) 34.415 4.337 ( 0.000 0.000 -77.541) 77.541 4.739 ( 0.000 0.000 -14.823) 14.823 5.327 ( 0.000 0.000 1.206) 1.206 5.360 ( 0.000 0.000 -5.075) 5.075 5.403 ( 0.000 0.000 25.861) 25.861 5.613 ( 0.000 0.000 49.334) 49.334 5.802 ( 0.000 0.000 -3.831) 3.831 5.852 ( 0.000 0.000 -16.545) 16.545 5.877 ( 0.000 0.000 -8.251) 8.251 6.280 ( 0.000 0.000 -2.945) 2.945 6.333 ( 0.000 0.000 -12.590) 12.590 6.463 ( 0.000 0.000 -12.548) 12.548 6.960 ( 0.000 0.000 1.109) 1.109 7.038 ( 0.000 0.000 -5.319) 5.319 7.210 ( 0.000 0.000 3.051) 3.051 7.410 ( 0.000 0.000 9.438) 9.438 7.618 ( 0.000 0.000 11.493) 11.493 7.691 ( 0.000 0.000 7.665) 7.665 7.844 ( 0.000 0.000 6.923) 6.923 7.851 ( 0.000 0.000 -1.040) 1.040 8.134 ( 0.000 0.000 -25.120) 25.120 8.296 ( 0.000 0.000 -20.007) 20.007 8.456 ( 0.000 0.000 38.279) 38.279 8.675 ( 0.000 0.000 2.628) 2.628 9.197 ( 0.000 0.000 19.806) 19.806 9.280 ( 0.000 0.000 9.783) 9.783 9.470 ( 0.000 0.000 18.152) 18.152 9.546 ( 0.000 0.000 -13.050) 13.050 9.958 ( 0.000 0.000 -16.369) 16.369 10.123 ( 0.000 0.000 -37.286) 37.286 10.331 ( 0.000 0.000 17.570) 17.570 10.532 ( 0.000 0.000 14.678) 14.678 10.619 ( 0.000 0.000 -3.376) 3.376 10.743 ( 0.000 0.000 2.824) 2.824 10.803 ( 0.000 0.000 -1.310) 1.310 10.823 ( 0.000 0.000 -8.528) 8.528 11.025 ( 0.000 0.000 -5.288) 5.288 11.032 ( 0.000 0.000 1.377) 1.377 11.069 ( 0.000 0.000 -6.934) 6.934 11.074 ( 0.000 0.000 -1.410) 1.410 11.380 ( 0.000 0.000 3.812) 3.812 11.434 ( 0.000 0.000 -1.579) 1.579 11.696 ( 0.000 0.000 15.586) 15.586 11.974 ( 0.000 0.000 -6.101) 6.101 12.084 ( 0.000 0.000 9.602) 9.602 12.307 ( 0.000 0.000 -6.998) 6.998 12.353 ( 0.000 0.000 -10.001) 10.001 12.372 ( 0.000 0.000 4.028) 4.028 12.389 ( 0.000 0.000 -7.438) 7.438 12.445 ( 0.000 0.000 -9.459) 9.459 12.860 ( 0.000 0.000 3.547) 3.547 12.907 ( 0.000 0.000 -1.576) 1.576 12.951 ( 0.000 0.000 17.030) 17.030 13.117 ( 0.000 0.000 6.358) 6.358 13.248 ( 0.000 0.000 -5.167) 5.167 13.329 ( 0.000 0.000 -5.902) 5.902 13.432 ( 0.000 0.000 2.489) 2.489 13.477 ( 0.000 0.000 -0.742) 0.742 13.613 ( 0.000 0.000 -4.125) 4.125 13.613 ( 0.000 0.000 -12.907) 12.907 14.047 ( 0.000 0.000 -0.963) 0.963 14.049 ( 0.000 0.000 -0.712) 0.712 14.066 ( 0.000 0.000 5.698) 5.698 14.193 ( 0.000 0.000 -3.062) 3.062 14.355 ( 0.000 0.000 8.696) 8.696 14.454 ( 0.000 0.000 22.807) 22.807 14.503 ( 0.000 0.000 -0.553) 0.553 14.900 ( 0.000 0.000 -13.545) 13.545 14.933 ( 0.000 0.000 8.524) 8.524 15.215 ( 0.000 0.000 -3.330) 3.330 15.223 ( 0.000 0.000 1.106) 1.106 15.246 ( 0.000 0.000 -11.473) 11.473 15.911 ( 0.000 0.000 12.442) 12.442 16.131 ( 0.000 0.000 -6.763) 6.763 16.344 ( 0.000 0.000 4.653) 4.653 16.457 ( 0.000 0.000 -4.176) 4.176 16.898 ( 0.000 0.000 -0.136) 0.136 16.907 ( 0.000 0.000 -0.865) 0.865 17.397 ( 0.000 0.000 2.110) 2.110 17.477 ( 0.000 0.000 -4.728) 4.728 19.924 ( 0.000 0.000 17.192) 17.192 20.456 ( 0.000 0.000 -28.872) 28.872 20.564 ( 0.000 0.000 14.957) 14.957 20.965 ( 0.000 0.000 -18.857) 18.857 21.866 ( 0.000 0.000 12.692) 12.692 22.008 ( 0.000 0.000 32.958) 32.958 22.100 ( 0.000 0.000 -7.514) 7.514 22.704 ( 0.000 0.000 -28.101) 28.101 23.335 ( 0.000 0.000 1.525) 1.525 23.371 ( 0.000 0.000 -1.384) 1.384 23.752 ( 0.000 0.000 14.627) 14.627 24.006 ( 0.000 0.000 -7.714) 7.714 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 17.761 0.000 30.881) 35.624 1.483 ( 34.537 0.000 22.081) 40.992 1.811 ( 17.143 0.000 -6.118) 18.202 1.829 ( 1.577 0.000 -15.242) 15.323 2.092 ( 28.081 0.000 5.863) 28.686 2.131 ( 16.977 0.000 3.843) 17.406 2.574 ( 15.801 0.000 2.199) 15.953 2.727 ( 37.578 0.000 66.429) 76.321 2.898 ( 10.514 0.000 -18.031) 20.873 3.120 ( 26.573 0.000 -4.341) 26.925 3.284 ( 14.000 0.000 -6.524) 15.445 3.345 ( -0.088 0.000 -10.157) 10.158 3.406 ( 8.066 0.000 -11.436) 13.994 3.684 ( 0.820 0.000 3.717) 3.807 3.866 ( 10.550 0.000 -19.433) 22.112 4.464 ( 33.131 0.000 21.555) 39.526 4.526 ( 17.476 0.000 -66.055) 68.328 4.925 ( 12.533 0.000 3.620) 13.046 5.328 ( 4.718 0.000 12.545) 13.403 5.435 ( 5.122 0.000 2.027) 5.508 5.448 ( 10.799 0.000 7.734) 13.283 5.528 ( 1.737 0.000 22.488) 22.555 5.814 ( -0.657 0.000 -4.744) 4.790 5.885 ( 4.750 0.000 -18.009) 18.624 6.159 ( -5.247 0.000 5.343) 7.488 6.206 ( 23.359 0.000 1.735) 23.423 6.330 ( 4.866 0.000 -0.287) 4.874 6.759 ( 17.580 0.000 -15.264) 23.282 6.858 ( -9.782 0.000 9.153) 13.396 7.016 ( -1.844 0.000 -1.565) 2.419 7.205 ( 3.309 0.000 -9.748) 10.294 7.293 ( -9.039 0.000 1.068) 9.102 7.541 ( -5.899 0.000 5.303) 7.932 7.583 ( -7.127 0.000 1.809) 7.353 7.942 ( 7.150 0.000 11.204) 13.291 7.983 ( 9.011 0.000 1.779) 9.185 8.068 ( -3.489 0.000 -9.123) 9.767 8.290 ( -0.203 0.000 -15.696) 15.698 8.635 ( 13.421 0.000 27.261) 30.385 8.698 ( 1.933 0.000 6.336) 6.624 9.118 ( -12.496 0.000 15.421) 19.849 9.195 ( -2.262 0.000 10.483) 10.724 9.340 ( -10.631 0.000 -2.719) 10.974 9.586 ( 2.299 0.000 1.885) 2.973 9.937 ( -2.373 0.000 -15.897) 16.073 9.995 ( -13.094 0.000 -7.181) 14.934 10.155 ( -6.521 0.000 -11.209) 12.967 10.381 ( -16.965 0.000 -9.862) 19.624 10.486 ( -2.308 0.000 4.117) 4.720 10.568 ( -13.059 0.000 -0.587) 13.072 10.856 ( -1.898 0.000 13.596) 13.728 10.886 ( -0.322 0.000 11.069) 11.073 10.984 ( 4.419 0.000 6.331) 7.721 11.050 ( -1.825 0.000 1.519) 2.374 11.177 ( 11.841 0.000 -11.965) 16.833 11.255 ( 8.290 0.000 -16.708) 18.652 11.369 ( 0.723 0.000 8.268) 8.300 11.488 ( 2.191 0.000 2.774) 3.535 11.650 ( -2.429 0.000 11.122) 11.384 11.949 ( -1.831 0.000 -7.336) 7.561 11.960 ( -12.222 0.000 8.758) 15.036 12.171 ( -12.095 0.000 -3.543) 12.603 12.261 ( -4.503 0.000 0.413) 4.522 12.294 ( -13.183 0.000 -0.231) 13.185 12.385 ( -1.798 0.000 -10.167) 10.324 12.411 ( -1.374 0.000 -8.062) 8.178 12.611 ( -20.509 0.000 15.645) 25.795 12.820 ( -1.467 0.000 0.826) 1.684 13.088 ( 1.492 0.000 0.656) 1.630 13.151 ( 1.141 0.000 -0.200) 1.158 13.206 ( 2.222 0.000 7.145) 7.482 13.393 ( 2.690 0.000 -3.297) 4.255 13.404 ( -2.808 0.000 3.705) 4.649 13.435 ( 0.443 0.000 -6.495) 6.510 13.586 ( 0.496 0.000 -5.618) 5.640 13.644 ( 2.794 0.000 -4.339) 5.161 13.827 ( -7.807 0.000 5.612) 9.615 13.924 ( -5.946 0.000 -4.075) 7.208 14.130 ( -7.960 0.000 13.211) 15.424 14.176 ( 6.096 0.000 7.606) 9.747 14.273 ( 3.440 0.000 2.868) 4.479 14.399 ( -8.113 0.000 -2.704) 8.552 14.513 ( -2.563 0.000 11.506) 11.788 14.787 ( -12.799 0.000 5.774) 14.041 14.829 ( -9.001 0.000 -11.879) 14.904 15.078 ( -12.475 0.000 -15.044) 19.544 15.125 ( -4.990 0.000 4.168) 6.501 15.203 ( 0.578 0.000 -3.672) 3.717 15.766 ( -9.456 0.000 11.769) 15.097 15.944 ( -13.166 0.000 -3.751) 13.690 16.455 ( 4.569 0.000 4.612) 6.492 16.587 ( 4.859 0.000 -6.113) 7.809 16.892 ( -7.348 0.000 -0.946) 7.408 16.897 ( -3.288 0.000 -0.769) 3.377 17.340 ( -5.934 0.000 2.187) 6.324 17.406 ( -6.771 0.000 -3.659) 7.696 19.972 ( 4.840 0.000 15.091) 15.848 20.432 ( -2.397 0.000 -24.055) 24.174 20.615 ( 4.332 0.000 14.353) 14.992 20.991 ( 0.994 0.000 -15.944) 15.975 21.746 ( 1.476 0.000 14.224) 14.300 22.052 ( -1.803 0.000 -10.569) 10.721 22.302 ( 8.472 0.000 22.261) 23.819 22.840 ( 6.789 0.000 -24.142) 25.079 23.309 ( -0.011 0.000 6.653) 6.653 23.553 ( 11.949 0.000 -16.770) 20.592 23.777 ( 2.176 0.000 14.814) 14.973 24.033 ( 2.030 0.000 -7.618) 7.884 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 34.866 0.000 2.867) 34.984 1.896 ( 18.075 0.000 -1.986) 18.183 2.139 ( 14.089 0.000 2.283) 14.273 2.222 ( 21.798 0.000 -5.810) 22.559 2.592 ( 15.100 0.000 13.260) 20.096 2.683 ( 35.312 0.000 26.344) 44.056 2.903 ( 14.416 0.000 -4.602) 15.133 3.058 ( 7.395 0.000 -0.274) 7.400 3.310 ( 0.816 0.000 -24.165) 24.179 3.417 ( 22.764 0.000 -20.527) 30.652 3.601 ( 14.287 0.000 -8.192) 16.469 3.602 ( 14.628 0.000 -10.876) 18.228 3.792 ( 34.427 0.000 26.488) 43.438 3.843 ( 16.060 0.000 8.968) 18.394 4.159 ( 19.586 0.000 -5.504) 20.345 4.942 ( 22.224 0.000 -39.292) 45.142 5.145 ( 12.943 0.000 33.999) 36.379 5.196 ( 36.137 0.000 19.907) 41.257 5.573 ( 17.165 0.000 3.015) 17.428 5.593 ( 15.981 0.000 14.475) 21.562 5.772 ( 18.267 0.000 -7.939) 19.918 5.818 ( 11.487 0.000 -12.489) 16.968 5.900 ( 21.299 0.000 11.181) 24.055 6.020 ( 7.737 0.000 -19.035) 20.548 6.186 ( 8.623 0.000 11.286) 14.203 6.411 ( 3.939 0.000 -3.269) 5.119 6.667 ( -7.092 0.000 7.611) 10.403 6.730 ( 25.144 0.000 -4.256) 25.501 6.999 ( 5.816 0.000 -8.549) 10.340 7.003 ( 1.860 0.000 11.949) 12.093 7.159 ( -1.443 0.000 -12.208) 12.293 7.403 ( 12.019 0.000 -18.687) 22.219 7.452 ( -1.066 0.000 2.161) 2.410 7.519 ( 6.228 0.000 -7.044) 9.402 8.024 ( -0.333 0.000 4.755) 4.767 8.087 ( 6.159 0.000 7.321) 9.567 8.143 ( 6.932 0.000 -2.541) 7.383 8.296 ( 0.640 0.000 -9.033) 9.056 8.716 ( -14.960 0.000 5.817) 16.051 8.723 ( -0.873 0.000 9.762) 9.801 8.980 ( 9.891 0.000 34.247) 35.647 9.093 ( -12.562 0.000 -11.496) 17.028 9.165 ( -1.300 0.000 2.808) 3.094 9.621 ( 0.617 0.000 -2.087) 2.176 9.760 ( -10.211 0.000 4.948) 11.347 9.854 ( -6.405 0.000 -15.086) 16.389 10.025 ( -17.779 0.000 -8.529) 19.719 10.053 ( -4.381 0.000 -19.415) 19.904 10.319 ( -10.241 0.000 6.037) 11.888 10.461 ( -0.552 0.000 -11.373) 11.387 10.794 ( -3.855 0.000 21.115) 21.464 10.835 ( -3.628 0.000 12.259) 12.785 11.020 ( -0.788 0.000 5.899) 5.951 11.088 ( 3.701 0.000 10.563) 11.192 11.266 ( -1.515 0.000 0.657) 1.651 11.319 ( -14.529 0.000 12.582) 19.220 11.380 ( 6.061 0.000 -9.341) 11.135 11.498 ( 6.181 0.000 -6.491) 8.963 11.648 ( -16.669 0.000 6.528) 17.901 11.761 ( 9.963 0.000 -6.469) 11.879 11.786 ( -15.625 0.000 -5.750) 16.649 11.897 ( -17.161 0.000 -13.972) 22.129 12.098 ( -8.175 0.000 16.352) 18.282 12.203 ( -6.283 0.000 4.921) 7.980 12.233 ( -1.281 0.000 -1.581) 2.035 12.269 ( -8.099 0.000 -5.349) 9.705 12.342 ( -5.752 0.000 3.960) 6.983 12.819 ( -0.506 0.000 -13.591) 13.600 13.113 ( 1.460 0.000 -5.668) 5.853 13.117 ( -2.446 0.000 -8.331) 8.683 13.255 ( -1.425 0.000 15.375) 15.440 13.379 ( -1.726 0.000 0.758) 1.885 13.397 ( 2.230 0.000 -0.338) 2.255 13.470 ( 1.617 0.000 -8.027) 8.188 13.660 ( 2.924 0.000 1.382) 3.234 13.674 ( -1.218 0.000 0.730) 1.420 13.763 ( -0.704 0.000 4.495) 4.550 13.868 ( 0.071 0.000 -5.960) 5.961 13.989 ( -6.521 0.000 10.164) 12.076 14.183 ( -8.212 0.000 2.766) 8.666 14.304 ( 2.071 0.000 5.557) 5.930 14.337 ( 4.757 0.000 3.817) 6.099 14.501 ( 1.482 0.000 0.297) 1.511 14.513 ( -12.594 0.000 0.730) 12.615 14.612 ( -9.811 0.000 -7.555) 12.383 14.777 ( -15.514 0.000 -13.861) 20.804 15.044 ( -3.989 0.000 8.136) 9.062 15.228 ( 0.077 0.000 -7.261) 7.262 15.588 ( -7.998 0.000 8.169) 11.433 15.657 ( -15.217 0.000 2.003) 15.349 16.408 ( -10.384 0.000 2.748) 10.741 16.538 ( -9.928 0.000 -7.511) 12.449 16.621 ( -17.400 0.000 4.173) 17.894 16.717 ( -14.473 0.000 -3.362) 14.859 17.156 ( -12.298 0.000 2.755) 12.603 17.213 ( -12.751 0.000 -2.145) 12.930 20.113 ( 9.109 0.000 9.730) 13.329 20.388 ( -0.644 0.000 -12.781) 12.797 20.715 ( 5.375 0.000 11.933) 13.088 21.028 ( 2.653 0.000 -13.291) 13.554 21.825 ( 4.449 0.000 6.841) 8.161 22.069 ( 2.951 0.000 -11.655) 12.023 22.362 ( -0.153 0.000 21.738) 21.739 22.827 ( -6.006 0.000 -17.693) 18.684 23.385 ( 5.406 0.000 10.891) 12.159 23.734 ( 6.355 0.000 -17.288) 18.419 23.826 ( 2.250 0.000 13.753) 13.936 24.065 ( 0.906 0.000 -6.674) 6.735 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 22.595 0.000 3.783) 22.909 2.347 ( 6.871 0.000 7.958) 10.514 2.454 ( 25.123 0.000 0.454) 25.127 2.518 ( 11.109 0.000 -6.976) 13.118 2.719 ( 0.232 0.000 14.496) 14.498 3.083 ( 3.915 0.000 6.749) 7.802 3.106 ( 2.267 0.000 -6.178) 6.581 3.190 ( 9.431 0.000 -10.697) 14.260 3.432 ( 10.393 0.000 -3.857) 11.086 3.726 ( 1.826 0.000 4.712) 5.054 3.785 ( 0.304 0.000 -17.948) 17.950 3.804 ( 6.141 0.000 -5.945) 8.547 4.268 ( 28.526 0.000 4.214) 28.835 4.461 ( 36.097 0.000 -12.369) 38.157 4.740 ( 34.677 0.000 22.391) 41.278 5.349 ( 17.356 0.000 -23.437) 29.164 5.504 ( 21.705 0.000 27.088) 34.711 5.832 ( 28.065 0.000 13.302) 31.058 5.989 ( 23.139 0.000 3.561) 23.412 6.052 ( 21.107 0.000 7.604) 22.434 6.108 ( 14.288 0.000 -1.667) 14.385 6.143 ( 10.723 0.000 -25.080) 27.276 6.211 ( 21.749 0.000 -6.781) 22.782 6.238 ( 16.445 0.000 0.054) 16.445 6.458 ( 1.650 0.000 4.221) 4.532 6.493 ( 8.604 0.000 3.452) 9.271 6.643 ( 11.787 0.000 18.678) 22.087 7.052 ( 7.196 0.000 8.012) 10.769 7.174 ( 16.201 0.000 -6.918) 17.616 7.186 ( 13.416 0.000 -19.911) 24.009 7.293 ( 14.947 0.000 8.240) 17.068 7.569 ( 10.967 0.000 -15.569) 19.044 7.629 ( 20.989 0.000 1.901) 21.075 7.862 ( 19.417 0.000 -13.226) 23.494 8.012 ( -1.633 0.000 9.094) 9.239 8.191 ( 3.281 0.000 6.030) 6.865 8.251 ( 1.935 0.000 -9.236) 9.437 8.337 ( 5.679 0.000 -0.457) 5.698 8.410 ( -11.113 0.000 5.857) 12.562 8.603 ( -10.209 0.000 -8.188) 13.086 8.901 ( -7.455 0.000 1.572) 7.619 9.106 ( -5.929 0.000 -12.958) 14.250 9.231 ( 12.987 0.000 38.184) 40.332 9.544 ( -10.183 0.000 6.144) 11.893 9.597 ( -4.422 0.000 -11.453) 12.278 9.609 ( -15.440 0.000 -2.416) 15.627 9.752 ( -10.077 0.000 -13.295) 16.682 9.964 ( -6.259 0.000 -13.870) 15.217 10.194 ( -2.915 0.000 4.953) 5.747 10.419 ( -5.314 0.000 -14.700) 15.630 10.664 ( -11.504 0.000 21.046) 23.984 10.726 ( -7.884 0.000 2.609) 8.305 10.947 ( -14.752 0.000 8.706) 17.129 11.049 ( -0.791 0.000 17.637) 17.655 11.107 ( -0.704 0.000 17.179) 17.193 11.269 ( -2.689 0.000 2.117) 3.422 11.348 ( -9.506 0.000 1.216) 9.584 11.431 ( -10.082 0.000 -9.108) 13.586 11.499 ( -11.172 0.000 -4.755) 12.141 11.511 ( 4.777 0.000 -12.240) 13.139 11.617 ( -7.570 0.000 -8.001) 11.014 11.844 ( -7.867 0.000 -10.591) 13.194 11.900 ( -2.205 0.000 16.706) 16.851 12.098 ( 2.064 0.000 -5.106) 5.508 12.194 ( -8.261 0.000 5.861) 10.129 12.332 ( 5.522 0.000 1.594) 5.748 12.367 ( 12.576 0.000 4.705) 13.427 12.765 ( -5.091 0.000 -28.097) 28.555 13.087 ( -0.995 0.000 -4.735) 4.838 13.113 ( -3.279 0.000 -5.921) 6.768 13.147 ( -6.567 0.000 16.260) 17.536 13.337 ( -2.976 0.000 -1.234) 3.221 13.465 ( 3.302 0.000 0.300) 3.316 13.470 ( -1.487 0.000 1.195) 1.907 13.609 ( -4.133 0.000 3.083) 5.156 13.657 ( -1.957 0.000 4.529) 4.934 13.738 ( -2.547 0.000 3.624) 4.430 13.832 ( -4.934 0.000 -7.179) 8.711 13.866 ( -5.563 0.000 8.803) 10.414 14.028 ( -6.958 0.000 -1.205) 7.062 14.298 ( -8.158 0.000 0.599) 8.180 14.415 ( 6.514 0.000 -2.348) 6.924 14.427 ( 4.572 0.000 -1.607) 4.846 14.502 ( -5.403 0.000 -7.190) 8.994 14.542 ( 2.017 0.000 -1.058) 2.278 14.543 ( -1.272 0.000 -4.035) 4.231 14.975 ( -2.667 0.000 11.121) 11.436 15.178 ( -5.379 0.000 -4.136) 6.786 15.368 ( -11.927 0.000 7.199) 13.932 15.468 ( -3.118 0.000 -1.594) 3.502 16.074 ( -20.673 0.000 3.260) 20.928 16.224 ( -19.982 0.000 -7.869) 21.476 16.235 ( -21.109 0.000 5.697) 21.865 16.348 ( -21.546 0.000 -3.730) 21.867 16.858 ( -17.212 0.000 1.644) 17.290 16.891 ( -19.152 0.000 -1.107) 19.184 20.323 ( 11.433 0.000 4.299) 12.215 20.437 ( 5.504 0.000 -4.900) 7.369 20.818 ( 4.443 0.000 9.136) 10.159 21.070 ( 0.841 0.000 -11.516) 11.547 21.904 ( 3.655 0.000 6.882) 7.792 22.145 ( 4.289 0.000 -12.730) 13.433 22.339 ( -1.884 0.000 16.404) 16.512 22.692 ( -6.524 0.000 -12.760) 14.331 23.469 ( 3.087 0.000 13.962) 14.300 23.828 ( 3.496 0.000 -15.087) 15.487 23.846 ( -0.640 0.000 11.849) 11.866 24.066 ( -0.746 0.000 -6.432) 6.475 ======================= Grid point 103 (35/60) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 3.323 0.000 9.836) 10.382 2.593 ( 6.117 0.000 -0.896) 6.183 2.672 ( -1.620 0.000 15.397) 15.482 2.853 ( 13.057 0.000 13.560) 18.824 2.853 ( 18.814 0.000 -1.464) 18.870 3.069 ( -4.462 0.000 5.955) 7.441 3.174 ( 3.495 0.000 -4.797) 5.936 3.300 ( 3.629 0.000 -16.977) 17.361 3.544 ( 1.924 0.000 -10.605) 10.778 3.557 ( -13.820 0.000 7.258) 15.610 3.711 ( -5.457 0.000 -11.853) 13.048 3.785 ( -6.642 0.000 -6.330) 9.175 4.949 ( 34.627 0.000 7.848) 35.505 5.169 ( 30.680 0.000 -10.243) 32.345 5.354 ( 23.739 0.000 8.081) 25.076 5.631 ( 10.591 0.000 -14.758) 18.165 5.903 ( 16.722 0.000 14.347) 22.033 6.176 ( 4.817 0.000 -3.367) 5.877 6.289 ( 6.768 0.000 -0.833) 6.820 6.290 ( 7.282 0.000 2.360) 7.655 6.366 ( 6.178 0.000 -4.896) 7.883 6.393 ( 10.530 0.000 -10.104) 14.593 6.451 ( 3.037 0.000 0.953) 3.183 6.486 ( 8.820 0.000 -1.917) 9.026 6.764 ( 29.852 0.000 8.469) 31.030 6.821 ( 28.020 0.000 3.966) 28.300 7.119 ( 29.413 0.000 11.993) 31.764 7.234 ( 9.905 0.000 1.333) 9.995 7.387 ( 14.673 0.000 16.184) 21.845 7.645 ( 28.446 0.000 -6.009) 29.073 7.676 ( 14.267 0.000 20.322) 24.830 7.844 ( 14.770 0.000 -10.044) 17.862 7.973 ( -0.539 0.000 3.346) 3.389 8.122 ( 17.884 0.000 -7.771) 19.500 8.145 ( 4.126 0.000 -6.337) 7.562 8.206 ( 2.679 0.000 0.315) 2.698 8.264 ( 0.179 0.000 -12.965) 12.966 8.314 ( 2.304 0.000 10.774) 11.017 8.455 ( 0.770 0.000 -17.498) 17.515 8.497 ( 7.141 0.000 2.764) 7.657 8.698 ( -12.023 0.000 3.225) 12.448 8.916 ( -8.504 0.000 -15.054) 17.290 9.354 ( -7.995 0.000 1.342) 8.107 9.400 ( -6.915 0.000 -5.634) 8.919 9.455 ( 4.959 0.000 15.459) 16.235 9.481 ( -7.382 0.000 -13.081) 15.020 9.553 ( -8.344 0.000 -5.506) 9.997 9.700 ( -21.497 0.000 -1.975) 21.588 10.124 ( -6.145 0.000 -1.412) 6.306 10.212 ( -12.977 0.000 -0.511) 12.987 10.325 ( -16.633 0.000 14.824) 22.280 10.532 ( -12.589 0.000 -9.168) 15.573 10.733 ( -5.665 0.000 15.962) 16.938 10.983 ( -6.976 0.000 12.509) 14.323 11.018 ( -7.146 0.000 1.835) 7.378 11.140 ( -2.631 0.000 -5.697) 6.275 11.320 ( -4.907 0.000 14.660) 15.459 11.343 ( 6.737 0.000 1.617) 6.928 11.376 ( -2.066 0.000 -0.040) 2.066 11.582 ( 2.086 0.000 -5.931) 6.287 11.603 ( 5.415 0.000 -3.335) 6.360 11.626 ( -9.026 0.000 -7.209) 11.552 11.976 ( -0.603 0.000 0.075) 0.608 12.034 ( 1.625 0.000 11.606) 11.719 12.165 ( -0.429 0.000 -14.619) 14.626 12.432 ( 2.573 0.000 -3.936) 4.702 12.623 ( 10.441 0.000 4.432) 11.343 12.639 ( -3.786 0.000 -10.911) 11.549 12.925 ( -9.586 0.000 16.256) 18.872 13.099 ( 3.007 0.000 -8.457) 8.975 13.106 ( -0.858 0.000 -5.813) 5.876 13.236 ( -7.401 0.000 -5.756) 9.376 13.403 ( -4.870 0.000 6.098) 7.804 13.482 ( -2.517 0.000 5.175) 5.755 13.544 ( -2.104 0.000 -1.962) 2.877 13.641 ( 0.514 0.000 5.286) 5.311 13.649 ( -5.576 0.000 3.804) 6.750 13.732 ( -3.310 0.000 -7.068) 7.805 13.768 ( -4.686 0.000 4.398) 6.426 13.876 ( -8.634 0.000 -8.857) 12.369 14.219 ( 0.657 0.000 5.099) 5.141 14.380 ( 0.269 0.000 -7.687) 7.692 14.541 ( 6.805 0.000 0.276) 6.810 14.557 ( 3.687 0.000 -1.061) 3.836 14.619 ( 4.804 0.000 1.037) 4.914 14.656 ( 10.350 0.000 -2.718) 10.701 14.871 ( -8.441 0.000 8.920) 12.281 15.013 ( -10.463 0.000 -1.426) 10.560 15.291 ( 4.998 0.000 8.459) 9.825 15.475 ( 1.148 0.000 -7.081) 7.173 15.658 ( -17.207 0.000 4.287) 17.733 15.797 ( -20.885 0.000 -6.506) 21.875 15.810 ( -19.795 0.000 4.327) 20.263 15.895 ( -22.426 0.000 -2.641) 22.581 16.466 ( -22.658 0.000 0.733) 22.670 16.480 ( -19.988 0.000 -0.474) 19.993 20.551 ( 10.832 0.000 1.472) 10.932 20.590 ( 9.094 0.000 -1.641) 9.241 20.877 ( 1.108 0.000 6.085) 6.185 21.047 ( -3.258 0.000 -7.865) 8.513 21.985 ( 4.641 0.000 7.960) 9.214 22.237 ( 5.019 0.000 -13.386) 14.296 22.286 ( -3.515 0.000 12.002) 12.506 22.573 ( -5.592 0.000 -11.510) 12.797 23.527 ( 3.129 0.000 16.010) 16.313 23.798 ( -3.921 0.000 12.051) 12.673 23.886 ( 2.544 0.000 -13.642) 13.877 24.037 ( -2.065 0.000 -7.667) 7.940 ======================= Grid point 104 (36/60) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 5.173 0.000 13.321) 14.290 2.622 ( -3.914 0.000 17.986) 18.407 2.731 ( 8.472 0.000 0.149) 8.473 2.920 ( -9.351 0.000 4.685) 10.459 3.028 ( 5.679 0.000 18.226) 19.091 3.151 ( -6.783 0.000 14.089) 15.637 3.170 ( 12.105 0.000 -4.676) 12.977 3.323 ( -2.577 0.000 -8.491) 8.873 3.432 ( 4.114 0.000 -9.562) 10.409 3.565 ( 1.101 0.000 -17.681) 17.715 3.573 ( -7.828 0.000 -12.173) 14.473 3.631 ( -6.417 0.000 -14.471) 15.830 5.520 ( 20.476 0.000 3.616) 20.793 5.597 ( 11.582 0.000 -4.042) 12.267 5.649 ( 5.970 0.000 0.250) 5.975 5.738 ( -1.495 0.000 -6.641) 6.807 6.163 ( 9.633 0.000 3.272) 10.174 6.235 ( 1.738 0.000 -2.616) 3.141 6.274 ( -2.688 0.000 -0.512) 2.737 6.312 ( -5.684 0.000 -1.386) 5.851 6.436 ( 6.803 0.000 6.631) 9.500 6.517 ( -0.277 0.000 5.214) 5.221 6.579 ( 6.941 0.000 -5.901) 9.110 6.636 ( 2.519 0.000 -5.280) 5.850 7.225 ( 14.696 0.000 10.540) 18.085 7.404 ( 29.545 0.000 -2.287) 29.633 7.414 ( 1.964 0.000 14.429) 14.562 7.658 ( 16.233 0.000 -4.042) 16.729 7.761 ( 15.597 0.000 24.161) 28.758 7.810 ( 3.817 0.000 17.905) 18.307 7.926 ( -4.404 0.000 12.255) 13.022 7.982 ( -10.959 0.000 7.620) 13.348 8.032 ( 3.439 0.000 -8.707) 9.361 8.114 ( -2.687 0.000 -6.347) 6.892 8.183 ( 9.636 0.000 2.275) 9.900 8.237 ( -5.247 0.000 -9.380) 10.748 8.361 ( 8.660 0.000 -13.690) 16.199 8.438 ( 17.793 0.000 -10.976) 20.906 8.590 ( 0.860 0.000 5.940) 6.002 8.688 ( 8.674 0.000 -8.325) 12.023 8.727 ( 8.915 0.000 -5.646) 10.552 8.869 ( 8.769 0.000 -16.264) 18.477 9.120 ( -25.319 0.000 -0.918) 25.335 9.228 ( -11.822 0.000 -8.365) 14.482 9.269 ( -6.127 0.000 0.884) 6.191 9.319 ( -8.730 0.000 -3.723) 9.491 9.321 ( -7.392 0.000 -9.449) 11.996 9.382 ( -13.073 0.000 -7.932) 15.291 10.046 ( 3.872 0.000 8.296) 9.155 10.054 ( -0.148 0.000 7.806) 7.807 10.162 ( -4.805 0.000 5.767) 7.506 10.223 ( -15.074 0.000 4.176) 15.642 10.707 ( 3.095 0.000 15.059) 15.373 10.829 ( -7.719 0.000 11.762) 14.069 10.993 ( 3.255 0.000 -8.666) 9.257 11.077 ( -4.049 0.000 -9.530) 10.355 11.284 ( 1.071 0.000 9.688) 9.747 11.333 ( -2.918 0.000 4.783) 5.603 11.433 ( 2.273 0.000 -1.791) 2.894 11.505 ( -4.384 0.000 -6.059) 7.479 11.707 ( 11.629 0.000 -1.988) 11.797 11.724 ( 5.678 0.000 0.864) 5.743 11.835 ( -6.285 0.000 0.458) 6.301 11.989 ( -14.635 0.000 -12.317) 19.129 12.279 ( 14.663 0.000 7.215) 16.342 12.498 ( 6.774 0.000 -8.677) 11.008 12.564 ( -12.921 0.000 9.648) 16.126 12.630 ( -2.973 0.000 2.917) 4.165 12.960 ( 9.233 0.000 7.498) 11.894 13.087 ( -2.389 0.000 -2.039) 3.140 13.110 ( -1.668 0.000 -3.310) 3.706 13.150 ( -1.562 0.000 -5.415) 5.636 13.377 ( 5.891 0.000 -0.077) 5.892 13.414 ( -1.979 0.000 5.692) 6.027 13.460 ( -5.561 0.000 -3.503) 6.572 13.574 ( -9.519 0.000 -2.263) 9.785 13.601 ( 1.262 0.000 2.553) 2.848 13.668 ( -4.895 0.000 0.518) 4.922 13.717 ( 0.514 0.000 -5.575) 5.599 13.735 ( -2.716 0.000 -12.512) 12.803 14.325 ( 9.367 0.000 10.961) 14.418 14.492 ( 9.708 0.000 -3.420) 10.293 14.545 ( -10.513 0.000 13.132) 16.822 14.647 ( 1.410 0.000 1.587) 2.123 14.734 ( 8.962 0.000 -1.941) 9.170 14.806 ( -6.068 0.000 -4.282) 7.427 14.815 ( 2.288 0.000 -0.609) 2.368 14.820 ( 2.761 0.000 -2.875) 3.986 15.293 ( -5.884 0.000 2.427) 6.365 15.348 ( -4.257 0.000 -1.451) 4.497 15.421 ( -14.542 0.000 1.246) 14.595 15.456 ( -15.005 0.000 -1.754) 15.107 15.662 ( 9.819 0.000 3.262) 10.346 15.748 ( 13.136 0.000 -3.499) 13.594 16.015 ( -21.442 0.000 2.916) 21.639 16.082 ( -19.102 0.000 -2.482) 19.263 20.741 ( 7.783 0.000 1.364) 7.902 20.778 ( 9.198 0.000 -1.630) 9.341 20.854 ( -3.416 0.000 3.204) 4.684 20.943 ( -6.961 0.000 -3.997) 8.027 22.089 ( 5.577 0.000 8.594) 10.245 22.198 ( -5.108 0.000 9.645) 10.914 22.346 ( 5.708 0.000 -13.063) 14.255 22.461 ( -5.694 0.000 -12.133) 13.402 23.603 ( 4.499 0.000 15.783) 16.412 23.703 ( -5.201 0.000 13.935) 14.874 23.936 ( 2.546 0.000 -11.938) 12.206 23.989 ( -2.619 0.000 -9.779) 10.124 ======================= Grid point 110 (37/60) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 14.183 3.479) 14.603 1.257 ( 0.000 -3.792 -6.846) 7.826 1.470 ( 0.000 23.159 30.370) 38.193 1.970 ( 0.000 25.385 10.288) 27.391 2.088 ( 0.000 5.655 -22.750) 23.442 2.304 ( 0.000 28.846 -12.030) 31.254 2.777 ( 0.000 52.443 65.782) 84.128 2.860 ( 0.000 12.625 15.272) 19.815 3.131 ( 0.000 11.841 9.015) 14.883 3.270 ( 0.000 9.667 -13.196) 16.358 3.305 ( 0.000 49.943 -8.702) 50.695 3.487 ( 0.000 11.649 -8.423) 14.375 3.546 ( 0.000 29.333 -5.555) 29.854 3.785 ( 0.000 9.838 -11.419) 15.073 3.936 ( 0.000 12.581 -21.397) 24.822 4.146 ( 0.000 13.271 35.083) 37.509 4.610 ( 0.000 26.799 -64.999) 70.307 4.934 ( 0.000 13.856 -28.689) 31.860 5.356 ( 0.000 1.513 4.867) 5.097 5.418 ( 0.000 7.407 -3.572) 8.223 5.511 ( 0.000 11.535 25.886) 28.340 5.772 ( 0.000 14.777 35.742) 38.677 5.811 ( 0.000 1.463 10.043) 10.149 5.962 ( 0.000 15.934 -1.517) 16.006 5.999 ( 0.000 14.891 -14.338) 20.672 6.381 ( 0.000 8.553 -5.945) 10.416 6.460 ( 0.000 12.643 -11.662) 17.200 6.508 ( 0.000 5.363 -13.649) 14.665 7.165 ( 0.000 18.514 3.201) 18.789 7.254 ( 0.000 20.623 -3.858) 20.981 7.295 ( 0.000 9.663 16.185) 18.850 7.563 ( 0.000 10.930 13.094) 17.056 7.628 ( 0.000 4.283 11.169) 11.962 7.753 ( 0.000 7.398 3.467) 8.170 7.854 ( 0.000 0.863 -1.012) 1.330 7.892 ( 0.000 4.598 2.576) 5.271 8.192 ( 0.000 4.247 -20.467) 20.903 8.365 ( 0.000 7.822 -29.385) 30.408 8.505 ( 0.000 4.932 32.653) 33.024 8.707 ( 0.000 3.660 0.920) 3.774 9.175 ( 0.000 0.222 27.607) 27.608 9.248 ( 0.000 -3.102 8.981) 9.501 9.510 ( 0.000 -3.565 -13.491) 13.954 9.589 ( 0.000 7.905 16.460) 18.260 9.857 ( 0.000 0.494 -3.446) 3.482 10.156 ( 0.000 2.885 -36.142) 36.256 10.239 ( 0.000 -8.966 14.347) 16.918 10.303 ( 0.000 -18.974 14.720) 24.015 10.512 ( 0.000 -12.129 -4.051) 12.788 10.643 ( 0.000 -15.740 -8.354) 17.819 10.687 ( 0.000 -4.539 2.625) 5.244 10.811 ( 0.000 -0.424 -6.157) 6.172 10.890 ( 0.000 -9.453 3.919) 10.233 11.078 ( 0.000 -4.436 -7.583) 8.785 11.131 ( 0.000 6.199 0.238) 6.204 11.213 ( 0.000 9.622 -5.502) 11.084 11.298 ( 0.000 -4.155 7.050) 8.183 11.521 ( 0.000 3.248 -10.071) 10.581 11.652 ( 0.000 -4.558 10.839) 11.758 11.835 ( 0.000 -11.264 -3.482) 11.790 12.017 ( 0.000 -6.701 11.477) 13.290 12.150 ( 0.000 -11.754 6.938) 13.649 12.188 ( 0.000 -7.586 0.680) 7.617 12.340 ( 0.000 -6.680 -0.180) 6.682 12.347 ( 0.000 -2.846 -10.919) 11.284 12.591 ( 0.000 3.552 -19.440) 19.762 12.712 ( 0.000 -8.693 9.955) 13.216 12.821 ( 0.000 -5.183 -0.566) 5.214 12.944 ( 0.000 -10.700 11.694) 15.850 12.944 ( 0.000 1.464 20.513) 20.565 13.234 ( 0.000 -2.153 -9.460) 9.702 13.271 ( 0.000 -4.642 -2.137) 5.111 13.431 ( 0.000 1.532 -0.707) 1.688 13.485 ( 0.000 -2.807 -7.737) 8.230 13.576 ( 0.000 -2.432 -2.684) 3.622 13.704 ( 0.000 5.642 -13.061) 14.228 13.982 ( 0.000 -6.881 6.849) 9.709 13.984 ( 0.000 -4.157 2.600) 4.903 14.066 ( 0.000 -0.742 -4.104) 4.170 14.127 ( 0.000 -5.380 -4.229) 6.843 14.370 ( 0.000 -8.940 19.377) 21.340 14.385 ( 0.000 3.347 7.027) 7.783 14.512 ( 0.000 1.157 -1.593) 1.968 14.777 ( 0.000 -11.431 -13.446) 17.648 14.947 ( 0.000 -0.900 8.085) 8.135 15.081 ( 0.000 -8.572 -2.290) 8.873 15.172 ( 0.000 -2.009 3.925) 4.410 15.361 ( 0.000 7.501 -12.341) 14.442 15.985 ( 0.000 6.856 11.235) 13.161 16.189 ( 0.000 5.538 -6.375) 8.445 16.288 ( 0.000 -5.448 5.666) 7.860 16.425 ( 0.000 -3.511 -5.328) 6.380 16.922 ( 0.000 -0.721 2.870) 2.959 17.008 ( 0.000 4.697 -4.265) 6.344 17.353 ( 0.000 -3.973 2.594) 4.744 17.443 ( 0.000 -2.441 -5.042) 5.602 20.022 ( 0.000 9.055 15.951) 18.342 20.503 ( 0.000 -1.462 18.434) 18.492 20.518 ( 0.000 5.696 -26.988) 27.582 20.927 ( 0.000 -3.420 -18.416) 18.731 22.008 ( 0.000 9.512 7.271) 11.973 22.030 ( 0.000 1.931 31.993) 32.051 22.147 ( 0.000 3.448 -2.067) 4.020 22.713 ( 0.000 0.796 -28.012) 28.024 23.192 ( 0.000 -9.715 2.043) 9.927 23.262 ( 0.000 -7.831 -2.693) 8.281 23.749 ( 0.000 -0.360 14.984) 14.988 24.009 ( 0.000 0.065 -7.860) 7.861 ======================= Grid point 111 (38/60) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 21.673 4.847 15.001) 26.800 1.533 ( 27.765 9.809 0.464) 29.451 1.592 ( 15.625 7.238 9.309) 19.575 2.076 ( 10.049 12.574 -1.617) 16.178 2.164 ( 7.204 11.944 -5.611) 15.035 2.416 ( 9.857 16.705 -6.749) 20.537 2.857 ( -2.434 23.433 11.124) 26.053 3.028 ( 2.228 13.651 5.658) 14.944 3.161 ( 26.574 27.882 28.635) 47.995 3.275 ( 10.407 10.853 9.017) 17.533 3.409 ( 1.965 14.044 -17.120) 22.231 3.596 ( 7.714 13.964 0.244) 15.955 3.604 ( 7.127 18.834 -11.869) 23.375 3.859 ( 6.453 24.321 0.870) 25.177 4.046 ( 9.709 16.854 -18.812) 27.060 4.502 ( 29.010 5.255 22.310) 36.971 4.762 ( 13.235 22.736 -55.460) 61.383 5.006 ( 10.986 7.916 -4.708) 14.336 5.375 ( -0.148 5.600 20.281) 21.041 5.454 ( 8.848 4.016 3.218) 10.236 5.572 ( 8.280 11.266 -0.200) 13.983 5.719 ( 7.017 16.891 18.655) 26.126 5.951 ( -0.272 13.297 -1.611) 13.397 6.043 ( 5.508 14.835 -17.536) 23.620 6.255 ( 14.745 9.912 14.131) 22.702 6.291 ( 7.151 8.705 -2.641) 11.571 6.473 ( 4.405 13.350 -3.109) 14.398 6.798 ( 16.857 3.841 -17.557) 24.641 6.993 ( -11.238 12.509 14.131) 21.964 7.213 ( -3.699 17.683 1.327) 18.115 7.322 ( -0.418 15.316 -0.763) 15.341 7.474 ( -3.985 13.110 -2.967) 14.020 7.622 ( -3.183 4.332 4.727) 7.159 7.651 ( -5.106 10.972 1.485) 12.193 7.937 ( 6.990 0.184 2.952) 7.591 7.987 ( 5.356 1.927 10.532) 11.972 8.158 ( -0.557 7.685 -11.557) 13.890 8.345 ( 0.786 5.147 -17.466) 18.226 8.657 ( 5.639 1.802 12.441) 13.777 8.727 ( 5.289 4.427 8.607) 11.030 9.105 ( -12.739 -1.777 11.064) 16.966 9.163 ( -1.050 -0.616 24.116) 24.146 9.368 ( -11.260 0.489 -11.804) 16.321 9.633 ( 1.188 2.314 7.920) 8.336 9.797 ( -5.276 -0.532 -0.847) 5.370 10.078 ( -6.601 0.646 -23.702) 24.613 10.165 ( -7.691 -2.578 1.752) 8.298 10.261 ( -9.438 -16.241 3.179) 19.051 10.324 ( -13.226 -6.623 -8.817) 17.220 10.386 ( -6.196 -13.876 1.649) 15.285 10.705 ( -4.272 -9.569 8.082) 13.233 10.911 ( 2.839 -12.671 -9.596) 16.146 10.970 ( 8.105 -0.198 8.221) 11.546 11.150 ( -0.604 6.822 -0.478) 6.866 11.170 ( -0.248 3.412 -2.160) 4.046 11.221 ( 4.490 -3.325 -5.651) 7.946 11.317 ( 2.896 -4.730 8.679) 10.300 11.575 ( 5.562 0.938 -8.214) 9.964 11.645 ( -1.403 1.854 7.862) 8.198 11.824 ( -1.246 -8.990 2.526) 9.421 11.954 ( -6.044 -3.113 3.951) 7.863 12.024 ( -11.430 -8.990 0.913) 14.571 12.038 ( -9.536 -13.469 8.344) 18.492 12.285 ( -5.962 -4.809 1.240) 7.759 12.359 ( -2.455 -4.316 -8.979) 10.260 12.501 ( -8.391 2.304 -15.443) 17.726 12.568 ( -10.095 2.739 11.215) 15.336 12.754 ( -1.425 -4.736 1.294) 5.112 12.959 ( 2.890 -9.329 -1.383) 9.864 13.082 ( 0.527 -8.155 3.420) 8.859 13.203 ( 1.280 1.596 -2.026) 2.879 13.348 ( 4.770 -5.334 -4.931) 8.691 13.419 ( 0.061 -0.473 1.899) 1.958 13.470 ( -1.105 2.264 -1.650) 3.012 13.586 ( 1.086 -1.480 -1.914) 2.653 13.686 ( -0.466 3.136 -7.520) 8.161 13.861 ( -6.997 0.932 3.202) 7.751 13.898 ( -5.012 -2.811 0.045) 5.746 14.034 ( -3.586 -6.586 3.130) 8.126 14.160 ( -1.821 -8.271 -3.202) 9.054 14.247 ( -2.632 5.684 10.605) 12.317 14.348 ( -5.975 -8.751 16.956) 19.995 14.452 ( -4.154 0.096 -4.666) 6.248 14.696 ( -7.234 -9.900 -12.052) 17.193 14.898 ( -6.521 7.725 8.366) 13.122 15.056 ( -0.489 -3.925 1.910) 4.393 15.177 ( 4.138 -2.701 -2.852) 5.706 15.218 ( -11.799 8.757 -11.280) 18.524 15.799 ( -11.902 3.168 11.263) 16.690 15.979 ( -14.644 3.010 -4.225) 15.536 16.421 ( 5.281 -3.264 4.023) 7.398 16.540 ( 3.362 -4.452 -5.892) 8.114 16.849 ( -8.769 -4.201 4.344) 10.650 16.952 ( -7.107 2.220 -4.240) 8.568 17.297 ( -5.598 -3.757 2.770) 7.289 17.378 ( -6.224 -2.319 -4.155) 7.835 20.048 ( 2.932 7.108 13.697) 15.708 20.413 ( -4.925 -1.349 -8.947) 10.302 20.658 ( 7.854 5.077 0.572) 9.369 20.961 ( 1.956 -2.714 -15.673) 16.026 21.821 ( -1.812 6.358 17.196) 18.424 22.101 ( -1.477 2.578 -2.340) 3.782 22.318 ( 6.509 2.710 12.179) 14.072 22.759 ( 3.612 -6.985 -22.101) 23.458 23.226 ( 3.748 -6.511 7.876) 10.885 23.478 ( 15.409 -4.968 -13.226) 20.906 23.768 ( 1.681 -0.912 14.254) 14.382 24.022 ( 1.083 -1.014 -7.412) 7.559 ======================= Grid point 112 (39/60) ======================= q-point: ( 0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 23.006 4.597 11.588) 26.166 2.032 ( 20.547 -6.818 3.219) 21.887 2.113 ( 22.807 13.192 -4.523) 26.733 2.288 ( 17.056 8.227 -14.138) 23.633 2.498 ( 23.320 -10.662 22.324) 33.998 2.643 ( 12.465 3.404 3.396) 13.361 2.912 ( 7.445 8.686 9.400) 14.807 3.086 ( 1.083 1.362 -1.891) 2.570 3.340 ( 1.544 1.579 -13.678) 13.856 3.495 ( 7.747 3.735 -26.296) 27.667 3.644 ( 10.393 6.225 -6.319) 13.664 3.706 ( 8.531 6.191 -9.163) 13.966 3.904 ( 15.200 14.053 8.414) 22.345 4.178 ( 10.780 16.939 -6.416) 21.079 4.312 ( 34.866 25.818 20.678) 48.060 5.008 ( 15.806 0.371 7.744) 17.605 5.202 ( 29.999 11.456 -4.934) 32.488 5.343 ( 20.532 13.068 6.925) 25.304 5.557 ( 18.779 0.177 7.764) 20.321 5.693 ( 15.877 6.853 6.303) 18.406 5.810 ( 13.204 9.293 -6.151) 17.278 5.971 ( 11.441 11.039 -9.986) 18.774 6.065 ( 14.478 16.107 15.078) 26.389 6.142 ( 8.071 9.112 -7.894) 14.508 6.320 ( 7.454 13.488 0.973) 15.442 6.509 ( 4.532 8.628 -11.599) 15.150 6.752 ( 1.214 8.941 14.828) 17.357 6.866 ( 15.998 11.416 -0.808) 19.670 7.069 ( 6.300 7.324 -1.538) 9.783 7.134 ( -2.784 10.546 4.168) 11.676 7.243 ( -2.843 11.418 -13.124) 17.626 7.495 ( -0.466 10.290 -12.268) 16.019 7.628 ( 6.590 10.210 -2.093) 12.331 7.644 ( 9.543 13.858 -1.702) 16.912 8.030 ( 2.167 -0.065 7.554) 7.859 8.112 ( 7.030 2.891 8.333) 11.279 8.205 ( 3.789 5.647 -6.081) 9.123 8.391 ( 3.527 9.051 -11.052) 14.714 8.631 ( -5.614 -5.549 8.115) 11.320 8.768 ( -11.740 2.929 3.127) 12.497 8.951 ( 5.098 -1.281 15.191) 16.074 9.108 ( -11.639 1.183 -12.364) 17.022 9.156 ( 0.346 -1.397 16.552) 16.614 9.590 ( -6.525 -4.503 7.435) 10.869 9.674 ( -6.481 -3.825 -1.623) 7.699 9.882 ( -17.265 -6.955 -3.985) 19.035 9.943 ( -12.666 -8.962 -13.292) 20.431 9.969 ( -10.749 -3.892 -16.617) 20.170 10.139 ( -4.211 -6.531 13.098) 15.230 10.408 ( 3.134 -6.538 -8.841) 11.434 10.639 ( -2.718 -10.084 8.991) 13.781 10.882 ( -5.385 -8.328 -4.782) 11.010 11.040 ( -7.607 -7.259 7.523) 12.929 11.095 ( -4.550 1.289 3.774) 6.051 11.132 ( 1.598 0.781 3.586) 4.003 11.259 ( 2.536 -1.861 1.356) 3.425 11.404 ( 1.895 0.806 10.918) 11.111 11.538 ( -7.835 -3.956 1.261) 8.867 11.591 ( -9.285 -8.512 4.121) 13.254 11.771 ( -6.436 -7.030 0.452) 9.542 11.812 ( -3.642 8.836 -8.127) 12.545 11.835 ( -7.120 -5.048 -3.382) 9.360 11.972 ( 2.056 -6.553 12.333) 14.117 12.166 ( -3.432 -1.267 1.791) 4.073 12.238 ( -3.547 2.765 -5.582) 7.168 12.301 ( -9.086 2.681 -10.508) 14.148 12.412 ( -6.704 3.133 1.771) 7.609 12.761 ( 0.162 -4.636 -10.519) 11.496 12.946 ( -5.247 -11.118 -5.903) 13.638 13.026 ( -0.335 -8.504 -9.602) 12.830 13.272 ( 1.985 -0.122 9.575) 9.779 13.381 ( 1.236 -2.750 -1.367) 3.311 13.447 ( -1.331 3.770 1.110) 4.149 13.476 ( 0.981 -0.323 0.014) 1.033 13.631 ( 2.248 -2.932 0.137) 3.697 13.665 ( -1.844 -1.814 -0.877) 2.731 13.749 ( -5.184 -0.856 7.873) 9.465 13.851 ( -0.119 -2.325 1.657) 2.858 13.932 ( -7.662 -6.964 1.633) 10.481 14.073 ( -2.527 -6.311 -4.898) 8.379 14.233 ( -1.229 -6.644 14.326) 15.839 14.289 ( 3.160 0.648 3.658) 4.877 14.400 ( -1.834 -1.723 -4.597) 5.241 14.537 ( -6.588 -2.451 -12.343) 14.204 14.758 ( -6.681 12.238 3.901) 14.478 14.950 ( -11.559 11.572 -10.576) 19.478 15.082 ( 0.200 2.725 9.906) 10.276 15.274 ( 3.625 2.822 -6.578) 8.023 15.575 ( -10.288 -0.690 7.769) 12.910 15.662 ( -16.221 0.681 0.521) 16.244 16.384 ( -11.494 -2.772 1.513) 11.920 16.433 ( -12.502 -8.724 -1.123) 15.286 16.609 ( -13.332 -2.690 2.521) 13.832 16.714 ( -15.977 -0.190 -5.657) 16.950 17.130 ( -11.062 -2.432 3.284) 11.792 17.201 ( -11.491 -1.191 -2.759) 11.877 20.142 ( 6.418 2.697 8.178) 10.740 20.330 ( -2.394 -4.332 -4.759) 6.866 20.791 ( 5.429 6.170 2.287) 8.531 20.999 ( 1.959 -2.755 -11.864) 12.336 21.864 ( 3.953 3.701 11.004) 12.265 22.097 ( 0.746 0.925 -1.242) 1.719 22.356 ( -0.331 0.918 7.779) 7.840 22.744 ( -4.594 -7.680 -19.018) 21.018 23.358 ( 7.098 -2.001 13.052) 14.991 23.700 ( 6.407 -3.278 -8.473) 11.117 23.811 ( 2.321 -1.317 7.070) 7.556 24.039 ( 0.348 -2.533 -6.679) 7.151 ======================= Grid point 113 (40/60) ======================= q-point: ( 0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 8.747 -7.298 5.713) 12.744 2.335 ( 14.595 -8.415 -1.758) 16.939 2.501 ( 13.533 6.504 7.813) 16.926 2.578 ( 12.300 5.993 2.351) 13.882 2.789 ( 0.375 6.527 11.638) 13.348 2.994 ( 16.812 -12.334 7.503) 22.160 3.108 ( 6.444 0.089 0.501) 6.464 3.147 ( 12.363 -3.939 -6.837) 14.666 3.367 ( 3.403 0.150 -14.377) 14.775 3.616 ( 1.534 -12.018 -11.591) 16.767 3.771 ( 2.800 2.501 -2.937) 4.767 3.856 ( 3.394 5.864 -10.288) 12.319 4.203 ( 19.175 -0.289 7.595) 20.626 4.489 ( 22.544 4.242 -15.203) 27.520 5.056 ( 33.611 18.712 14.233) 41.017 5.335 ( 18.949 -2.705 10.668) 21.913 5.614 ( 13.849 13.130 -1.186) 19.120 5.850 ( 23.774 -0.261 5.522) 24.408 5.936 ( 15.495 -6.304 2.333) 16.890 6.076 ( 14.660 4.071 6.446) 16.524 6.090 ( 15.900 6.813 -2.169) 17.434 6.179 ( 13.704 5.790 -16.776) 22.422 6.371 ( 20.408 10.592 2.177) 23.096 6.425 ( 15.584 12.129 -0.385) 19.752 6.533 ( 4.504 9.904 1.021) 10.927 6.629 ( 7.923 9.580 -2.539) 12.689 6.787 ( 12.874 12.957 19.552) 26.756 7.122 ( 4.087 5.616 9.114) 11.459 7.156 ( 11.622 0.486 -4.267) 12.390 7.223 ( 7.202 0.136 2.388) 7.589 7.337 ( 11.667 8.431 -14.372) 20.341 7.519 ( 6.810 6.719 -12.245) 15.539 7.833 ( 5.816 1.542 6.896) 9.152 7.902 ( 15.346 13.507 -4.809) 21.002 8.086 ( 4.923 1.315 2.753) 5.791 8.190 ( 0.122 1.013 1.951) 2.202 8.256 ( 0.981 2.108 -1.231) 2.632 8.477 ( -1.719 2.532 5.154) 5.994 8.516 ( 4.390 8.825 -7.943) 12.659 8.567 ( -7.957 3.397 -4.705) 9.848 8.823 ( -10.625 -4.457 -2.384) 11.767 9.097 ( -3.075 -1.731 -17.749) 18.097 9.192 ( 3.320 -4.593 31.205) 31.715 9.407 ( -7.055 -11.220 1.826) 13.379 9.495 ( -13.280 -10.727 1.843) 17.171 9.568 ( -7.555 -4.054 -8.295) 11.930 9.688 ( -10.502 -5.371 -7.938) 14.218 9.865 ( -2.758 -6.373 -13.440) 15.128 10.076 ( -4.064 -3.883 13.325) 14.462 10.399 ( -8.227 -7.927 -6.113) 12.957 10.571 ( -3.096 -5.239 -4.543) 7.594 10.686 ( -12.092 -10.639 -5.335) 16.967 10.837 ( -9.641 0.158 18.417) 20.788 10.996 ( -4.667 -10.412 12.553) 16.964 11.165 ( -1.246 5.451 2.126) 5.982 11.251 ( -13.543 -8.463 3.532) 16.356 11.305 ( 0.764 -5.276 7.814) 9.460 11.406 ( -4.924 -3.044 -1.186) 5.909 11.480 ( 0.653 -0.620 5.572) 5.644 11.588 ( -13.724 6.826 -0.466) 15.335 11.615 ( -9.448 0.196 -2.671) 9.820 11.770 ( 1.109 -1.779 -8.220) 8.483 12.019 ( -6.298 6.068 -2.553) 9.110 12.102 ( 4.484 0.849 -5.524) 7.165 12.214 ( -4.709 0.944 3.096) 5.714 12.294 ( 3.838 -0.188 4.125) 5.637 12.391 ( 9.756 0.587 0.327) 9.779 12.700 ( -6.033 -5.683 -24.799) 26.147 12.883 ( -0.831 -11.143 0.887) 11.210 12.993 ( -2.995 -8.074 -9.444) 12.781 13.233 ( -6.350 -0.531 14.356) 15.706 13.387 ( -2.974 0.498 3.141) 4.354 13.434 ( 0.902 -1.117 -1.568) 2.126 13.463 ( 0.249 -1.512 0.513) 1.616 13.589 ( -3.986 -2.369 0.765) 4.700 13.648 ( -2.134 -4.188 -1.603) 4.966 13.681 ( -1.451 -2.102 6.062) 6.578 13.757 ( -7.199 -5.691 0.126) 9.178 13.827 ( -3.614 -2.897 8.030) 9.270 14.018 ( -3.855 1.447 -3.173) 5.198 14.278 ( 0.936 -3.100 1.178) 3.446 14.379 ( 3.588 1.525 -1.309) 4.113 14.406 ( 4.829 0.068 -3.681) 6.072 14.489 ( 4.416 3.864 -7.268) 9.341 14.649 ( -3.541 8.988 1.272) 9.744 14.752 ( -7.491 9.995 -7.026) 14.331 15.079 ( -1.558 8.077 10.685) 13.484 15.246 ( -7.302 4.514 -1.641) 8.740 15.366 ( -11.455 1.069 4.917) 12.511 15.445 ( -1.996 -1.602 -2.833) 3.818 16.025 ( -19.377 -6.548 5.442) 21.165 16.119 ( -19.221 -4.973 1.135) 19.887 16.293 ( -18.336 2.388 -1.904) 18.589 16.346 ( -20.099 0.810 -5.222) 20.782 16.858 ( -15.916 -0.412 2.529) 16.121 16.914 ( -17.119 1.451 -2.088) 17.307 20.299 ( 8.973 -2.262 2.800) 9.668 20.345 ( 4.130 -7.346 -0.026) 8.427 20.878 ( 3.162 4.477 1.982) 5.828 21.023 ( -0.073 -4.526 -9.217) 10.268 21.937 ( 3.113 3.007 9.186) 10.154 22.116 ( 0.994 -4.109 4.058) 5.860 22.344 ( -0.602 1.878 -0.945) 2.187 22.632 ( -5.789 -5.804 -15.201) 17.270 23.460 ( 3.326 -0.722 14.604) 14.995 23.767 ( 0.911 -4.965 5.023) 7.121 23.844 ( 0.897 -1.168 -6.321) 6.491 24.028 ( -1.451 -3.615 -6.538) 7.611 ======================= Grid point 114 (41/60) ======================= q-point: ( 0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 5.352 -7.647 7.798) 12.163 2.488 ( 4.031 -10.256 -1.012) 11.067 2.697 ( 2.292 -6.215 7.947) 10.346 2.754 ( 2.530 3.319 15.927) 16.464 2.861 ( 13.063 -1.263 8.002) 15.371 3.082 ( -3.908 0.873 3.016) 5.013 3.150 ( -1.057 -4.172 -0.604) 4.346 3.369 ( 5.324 5.618 -17.636) 19.260 3.484 ( 3.895 -7.403 -5.361) 9.936 3.572 ( -0.824 -1.691 -12.696) 12.835 3.733 ( -6.949 6.720 2.723) 10.043 3.853 ( -1.583 4.795 -6.854) 8.513 4.746 ( 33.126 -11.116 8.828) 36.039 5.056 ( 30.505 -9.051 -15.518) 35.401 5.567 ( 17.072 7.921 2.895) 19.041 5.717 ( 14.218 2.144 -6.337) 15.713 5.850 ( 12.577 0.199 10.286) 16.249 6.123 ( 3.834 -6.179 1.733) 7.476 6.144 ( 7.038 -2.924 -1.115) 7.702 6.269 ( 5.441 -5.161 -15.160) 16.914 6.367 ( 10.358 1.408 0.669) 10.474 6.450 ( 10.548 4.329 -6.616) 13.183 6.570 ( 2.808 8.010 3.676) 9.250 6.640 ( 0.774 12.217 -1.005) 12.282 6.842 ( 21.820 5.618 9.710) 24.535 6.868 ( 20.041 5.765 6.565) 21.862 7.187 ( 21.320 5.340 10.091) 24.184 7.266 ( 10.042 -1.376 6.914) 12.270 7.336 ( 5.989 -4.942 13.761) 15.800 7.523 ( 12.438 -4.302 9.561) 16.267 7.569 ( 21.598 -9.126 -0.191) 23.448 7.773 ( 12.172 -7.056 -10.523) 17.569 7.884 ( 2.662 0.431 6.197) 6.758 8.018 ( -3.627 -8.247 4.587) 10.110 8.212 ( 0.261 -4.396 -2.877) 5.261 8.218 ( 4.230 4.393 -1.525) 6.286 8.280 ( 7.590 7.595 -10.439) 14.976 8.315 ( -9.619 0.174 -9.758) 13.703 8.589 ( 3.151 3.681 4.912) 6.899 8.623 ( -2.563 4.199 -2.826) 5.673 8.721 ( 10.960 7.188 -10.666) 16.898 8.871 ( -13.616 -4.451 -10.319) 17.655 9.106 ( -10.284 -16.527 3.941) 19.860 9.327 ( -2.561 -1.580 -14.796) 15.099 9.421 ( -4.425 -7.396 1.079) 8.686 9.451 ( -3.157 -0.483 -8.186) 8.787 9.640 ( 7.641 9.261 8.095) 14.481 9.757 ( -10.029 -3.419 -1.537) 10.706 9.960 ( -6.522 -8.180 12.625) 16.396 10.120 ( -13.546 -6.566 -1.088) 15.093 10.401 ( -16.796 -0.438 -2.123) 16.936 10.515 ( -4.529 0.869 -6.378) 7.870 10.683 ( -5.782 -3.967 14.089) 15.737 10.869 ( -7.479 -11.494 10.217) 17.100 10.988 ( -10.299 -6.243 2.264) 12.255 11.143 ( -0.499 -12.083 -7.854) 14.420 11.287 ( -8.493 7.248 7.647) 13.533 11.319 ( 0.450 -0.581 12.865) 12.886 11.362 ( -3.827 0.640 -1.202) 4.062 11.525 ( 1.545 -1.955 -4.684) 5.305 11.561 ( 2.793 -3.567 -2.513) 5.180 11.742 ( -3.691 6.919 -10.880) 13.411 11.984 ( -1.905 -2.474 -1.540) 3.481 12.053 ( -6.009 -0.559 -3.709) 7.084 12.157 ( 1.587 1.657 6.431) 6.828 12.440 ( 6.340 0.289 2.951) 6.999 12.572 ( 2.773 -2.505 0.440) 3.763 12.629 ( 5.835 -2.015 -6.333) 8.844 12.865 ( -1.726 -7.205 -4.778) 8.816 12.963 ( 1.196 -7.225 -9.931) 12.339 13.077 ( -6.788 -1.425 13.395) 15.084 13.302 ( -4.328 -1.693 -2.004) 5.061 13.404 ( -4.379 0.927 7.011) 8.318 13.443 ( -4.643 -3.749 5.637) 8.209 13.535 ( -0.947 -1.349 -5.553) 5.792 13.602 ( -0.985 -6.447 -0.740) 6.563 13.609 ( -6.357 -8.904 0.245) 10.944 13.709 ( 1.676 5.086 -0.065) 5.355 13.744 ( -4.252 2.792 3.709) 6.295 13.893 ( -8.523 4.594 -13.049) 16.249 14.297 ( 3.968 5.398 4.837) 8.263 14.399 ( 1.473 2.726 -2.988) 4.305 14.578 ( 5.930 1.573 -0.169) 6.138 14.597 ( 3.211 4.350 -1.943) 5.745 14.664 ( 4.813 3.176 0.813) 5.824 14.703 ( 4.849 3.446 -2.736) 6.547 14.964 ( -7.856 8.625 7.378) 13.804 15.070 ( -9.808 5.661 -0.794) 11.352 15.254 ( -1.271 -3.916 5.574) 6.930 15.417 ( -3.528 -4.020 -7.361) 9.100 15.709 ( -9.289 3.482 7.674) 12.542 15.748 ( -15.064 -0.660 5.796) 16.154 15.906 ( -19.472 6.848 -3.811) 20.990 15.950 ( -16.907 6.194 -6.744) 19.228 16.506 ( -18.772 1.926 1.045) 18.899 16.530 ( -20.641 4.724 -0.939) 21.195 20.468 ( 8.465 -9.489 2.546) 12.969 20.502 ( 9.826 -5.442 0.031) 11.232 20.908 ( -0.415 1.569 -0.125) 1.627 20.983 ( -3.979 -6.208 -6.104) 9.573 21.994 ( 2.898 0.831 9.791) 10.245 22.129 ( 0.074 -8.364 9.307) 12.514 22.338 ( 0.255 2.964 -9.537) 9.990 22.523 ( -5.012 -4.746 -13.607) 15.257 23.514 ( 2.551 -1.345 15.520) 15.785 23.742 ( -3.166 -5.078 11.756) 13.191 23.860 ( 1.035 -2.840 -12.207) 12.576 23.986 ( -2.595 -4.756 -7.448) 9.211 ======================= Grid point 115 (42/60) ======================= q-point: ( 0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 6.116 -5.460 10.149) 13.046 2.567 ( -0.055 -5.017 11.536) 12.580 2.680 ( 3.879 -10.102 -0.340) 10.826 2.851 ( -0.988 -7.004 5.858) 9.184 2.886 ( -4.789 -10.102 9.153) 14.448 2.969 ( -5.185 -1.841 16.932) 17.804 3.222 ( 9.005 0.442 -0.793) 9.050 3.376 ( -4.976 -2.852 -11.790) 13.111 3.501 ( 2.341 2.555 -11.388) 11.903 3.584 ( -6.114 8.358 -2.100) 10.566 3.668 ( 6.340 8.792 -14.841) 18.378 3.785 ( -5.001 8.853 -11.956) 15.695 5.390 ( 27.567 -10.104 7.064) 30.198 5.559 ( 16.524 -5.571 -6.830) 18.728 5.750 ( 1.296 3.304 -3.560) 5.027 5.783 ( -6.231 2.154 -6.907) 9.548 6.107 ( 8.553 -5.664 5.278) 11.537 6.177 ( 2.445 -8.569 3.491) 9.570 6.232 ( 1.943 -1.304 -3.869) 4.521 6.283 ( -1.822 -3.283 -4.147) 5.594 6.461 ( 1.846 -0.322 4.931) 5.275 6.529 ( -4.220 0.064 9.627) 10.512 6.625 ( 7.147 2.699 -7.099) 10.429 6.714 ( 0.642 6.282 -5.649) 8.473 7.111 ( 9.265 -6.278 9.151) 14.457 7.197 ( 10.445 -7.592 11.567) 17.336 7.422 ( 0.711 -17.362 1.861) 17.476 7.451 ( 4.705 -12.794 17.276) 22.006 7.554 ( 3.049 -15.068 3.966) 15.877 7.599 ( 5.624 -14.595 11.398) 19.353 7.807 ( 1.059 -7.665 -1.446) 7.871 7.863 ( -4.375 -3.480 -0.634) 5.626 8.029 ( 10.807 -9.706 0.842) 14.550 8.099 ( -0.384 -1.666 -6.192) 6.424 8.164 ( 6.920 -0.115 -4.245) 8.119 8.281 ( 2.798 2.473 -8.589) 9.366 8.349 ( 13.188 -2.520 -4.476) 14.153 8.498 ( 5.580 9.093 -11.204) 15.471 8.566 ( 3.723 1.437 4.072) 5.701 8.644 ( 4.695 0.263 5.372) 7.139 8.711 ( -3.081 -5.126 -10.685) 12.245 8.848 ( -8.916 -6.950 -2.413) 11.559 8.941 ( -0.865 -0.759 -8.732) 8.808 9.113 ( -17.806 -0.406 -9.672) 20.268 9.358 ( 2.248 3.319 3.248) 5.159 9.441 ( -2.463 6.530 -0.318) 6.987 9.584 ( -2.333 11.266 -6.838) 13.383 9.649 ( -6.211 16.321 -5.306) 18.251 9.917 ( 0.642 -9.880 10.482) 14.419 9.971 ( -5.095 -5.446 17.627) 19.139 10.172 ( 1.588 3.632 -1.426) 4.213 10.355 ( -10.924 5.752 -4.838) 13.260 10.608 ( 1.133 -8.224 11.426) 14.123 10.733 ( -8.819 -8.627 7.465) 14.420 10.896 ( 3.699 -7.520 -10.828) 13.693 11.038 ( -8.522 -4.632 -14.628) 17.551 11.259 ( 3.262 -6.037 8.707) 11.086 11.304 ( -1.002 -2.980 3.527) 4.724 11.421 ( 6.546 -3.211 14.016) 15.799 11.500 ( -2.243 -0.425 -2.194) 3.166 11.603 ( -1.219 -2.408 -8.703) 9.112 11.683 ( -3.474 -2.706 0.944) 4.503 11.860 ( -2.572 -4.617 -6.289) 8.215 11.937 ( -5.862 0.306 -13.089) 14.345 12.308 ( 10.352 1.991 17.397) 20.342 12.468 ( -3.859 -1.548 9.471) 10.343 12.650 ( 4.739 2.517 1.464) 5.562 12.721 ( -0.368 4.478 -3.679) 5.807 12.874 ( 3.235 -7.655 0.104) 8.311 12.939 ( -2.941 -7.266 10.365) 12.996 13.100 ( 7.326 -4.696 -11.532) 14.447 13.245 ( -5.363 3.972 -8.784) 11.032 13.295 ( 1.169 -4.362 6.704) 8.083 13.387 ( -1.209 -1.920 1.559) 2.753 13.427 ( -7.151 -9.295 -0.978) 11.768 13.482 ( -7.831 2.956 -5.110) 9.807 13.612 ( 1.546 -1.264 0.555) 2.072 13.660 ( -2.694 1.916 2.765) 4.310 13.745 ( 0.281 3.994 -6.136) 7.327 13.761 ( -2.697 3.673 -14.271) 14.981 14.426 ( 7.214 8.018 8.591) 13.789 14.480 ( 6.005 -0.298 4.678) 7.618 14.605 ( -2.622 2.402 5.262) 6.351 14.660 ( 0.015 1.612 -0.332) 1.646 14.741 ( 4.563 1.394 1.486) 4.998 14.779 ( 0.061 -1.017 -2.762) 2.944 14.862 ( -3.685 3.717 0.954) 5.320 14.927 ( -4.736 7.145 -1.807) 8.760 15.219 ( 3.579 -3.498 4.131) 6.489 15.342 ( 1.529 2.886 -5.526) 6.419 15.456 ( -15.822 0.565 3.042) 16.121 15.530 ( -15.081 10.265 -2.336) 18.392 15.772 ( 12.206 8.900 3.502) 15.507 15.865 ( 8.059 9.539 -3.795) 13.051 16.114 ( -20.003 7.479 0.886) 21.374 16.137 ( -17.274 4.860 -0.939) 17.969 20.645 ( 8.227 -10.228 3.802) 13.666 20.679 ( 6.538 -6.546 1.783) 9.422 20.860 ( -3.881 -2.458 -3.940) 6.052 20.877 ( -5.537 -5.493 -4.834) 9.176 22.056 ( 3.129 -3.166 10.999) 11.866 22.110 ( -2.013 -7.466 11.933) 14.219 22.364 ( 2.428 0.702 -13.948) 14.175 22.431 ( -4.117 -2.864 -13.782) 14.666 23.575 ( 3.712 -2.696 14.930) 15.619 23.660 ( -4.525 -4.023 13.401) 14.705 23.888 ( 1.803 -4.635 -11.142) 12.201 23.933 ( -2.548 -5.278 -9.207) 10.914 ======================= Grid point 121 (43/60) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 23.101 -2.478) 23.233 1.628 ( 0.000 28.068 -15.725) 32.173 1.923 ( 0.000 20.018 14.832) 24.914 2.315 ( 0.000 16.468 -18.819) 25.007 2.497 ( 0.000 24.327 12.655) 27.422 2.853 ( 0.000 23.906 -14.234) 27.822 3.082 ( 0.000 5.045 12.470) 13.452 3.268 ( 0.000 8.201 10.032) 12.958 3.436 ( 0.000 -0.253 5.498) 5.503 3.671 ( 0.000 3.447 17.498) 17.834 3.681 ( 0.000 5.778 -1.698) 6.022 3.991 ( 0.000 32.587 3.448) 32.769 4.172 ( 0.000 44.002 25.421) 50.818 4.260 ( 0.000 26.142 -18.809) 32.206 4.331 ( 0.000 36.274 -20.632) 41.731 4.759 ( 0.000 41.869 18.630) 45.827 5.168 ( 0.000 15.387 -2.597) 15.604 5.306 ( 0.000 35.980 -39.051) 53.099 5.518 ( 0.000 14.447 -5.433) 15.435 5.702 ( 0.000 23.653 -17.388) 29.356 5.868 ( 0.000 22.104 21.056) 30.528 6.021 ( 0.000 16.778 15.547) 22.874 6.169 ( 0.000 23.261 12.042) 26.193 6.419 ( 0.000 26.630 -4.218) 26.962 6.420 ( 0.000 24.452 -7.566) 25.595 6.587 ( 0.000 11.434 -5.177) 12.551 6.708 ( 0.000 14.485 -9.972) 17.585 6.819 ( 0.000 22.332 -18.906) 29.260 7.534 ( 0.000 10.303 25.295) 27.313 7.573 ( 0.000 19.112 14.723) 24.126 7.765 ( 0.000 9.556 22.263) 24.227 7.771 ( 0.000 27.002 4.199) 27.326 7.882 ( 0.000 2.355 4.507) 5.085 7.897 ( 0.000 22.146 1.293) 22.183 8.024 ( 0.000 19.573 -11.244) 22.573 8.040 ( 0.000 9.551 -7.018) 11.852 8.269 ( 0.000 3.307 -13.203) 13.610 8.574 ( 0.000 9.214 -37.841) 38.947 8.652 ( 0.000 9.330 23.621) 25.397 8.827 ( 0.000 8.053 -0.194) 8.055 9.169 ( 0.000 -4.315 3.700) 5.684 9.244 ( 0.000 6.916 36.907) 37.549 9.403 ( 0.000 -7.155 -15.029) 16.645 9.752 ( 0.000 6.217 14.425) 15.708 9.815 ( 0.000 -25.828 19.739) 32.508 9.976 ( 0.000 8.370 -6.937) 10.871 10.031 ( 0.000 -12.753 8.545) 15.351 10.185 ( 0.000 -18.909 -5.811) 19.782 10.254 ( 0.000 -20.433 -11.445) 23.420 10.271 ( 0.000 8.615 -28.243) 29.528 10.563 ( 0.000 -7.099 -0.832) 7.148 10.650 ( 0.000 -13.594 13.826) 19.390 10.745 ( 0.000 -6.261 -17.166) 18.272 10.883 ( 0.000 -13.536 -5.755) 14.708 11.199 ( 0.000 -6.505 10.137) 12.044 11.222 ( 0.000 3.034 4.846) 5.717 11.356 ( 0.000 2.704 -5.551) 6.174 11.468 ( 0.000 -11.739 5.787) 13.088 11.498 ( 0.000 -7.274 -12.561) 14.515 11.670 ( 0.000 -4.274 -6.339) 7.645 11.863 ( 0.000 -7.289 12.647) 14.597 11.950 ( 0.000 -7.289 16.103) 17.676 12.045 ( 0.000 -7.246 1.367) 7.373 12.168 ( 0.000 -9.485 1.446) 9.595 12.230 ( 0.000 -8.136 -9.469) 12.484 12.526 ( 0.000 -7.751 -18.420) 19.984 12.585 ( 0.000 -6.572 13.788) 15.274 12.741 ( 0.000 -3.181 -1.267) 3.424 12.788 ( 0.000 -1.684 2.678) 3.163 13.010 ( 0.000 2.474 10.683) 10.966 13.111 ( 0.000 -9.870 -17.727) 20.290 13.179 ( 0.000 -4.265 -0.946) 4.369 13.412 ( 0.000 -1.860 -0.128) 1.864 13.473 ( 0.000 0.488 -5.012) 5.036 13.494 ( 0.000 -5.134 7.782) 9.323 13.773 ( 0.000 -1.039 -11.823) 11.869 13.806 ( 0.000 -10.797 9.358) 14.288 13.875 ( 0.000 -6.547 4.639) 8.024 13.983 ( 0.000 -9.293 -5.353) 10.725 14.019 ( 0.000 -2.826 -7.037) 7.584 14.206 ( 0.000 -3.739 14.627) 15.097 14.490 ( 0.000 6.398 4.510) 7.828 14.497 ( 0.000 -14.047 -9.993) 17.239 14.571 ( 0.000 4.781 -1.402) 4.982 14.847 ( 0.000 -6.297 3.582) 7.244 14.929 ( 0.000 -4.582 -3.640) 5.852 15.245 ( 0.000 7.692 11.911) 14.179 15.539 ( 0.000 9.961 -12.748) 16.178 16.119 ( 0.000 -11.452 6.563) 13.199 16.166 ( 0.000 10.709 9.199) 14.117 16.282 ( 0.000 -11.125 -6.930) 13.107 16.345 ( 0.000 9.746 -6.044) 11.468 16.790 ( 0.000 -11.787 8.384) 14.464 16.994 ( 0.000 -7.239 -8.753) 11.358 17.275 ( 0.000 -3.105 4.935) 5.830 17.383 ( 0.000 -4.159 -4.399) 6.054 20.245 ( 0.000 11.881 13.103) 17.687 20.538 ( 0.000 3.612 12.515) 13.026 20.655 ( 0.000 7.056 -22.291) 23.381 20.857 ( 0.000 -2.847 -14.209) 14.491 22.076 ( 0.000 2.356 29.329) 29.424 22.118 ( 0.000 1.001 10.444) 10.491 22.276 ( 0.000 9.379 -2.661) 9.749 22.725 ( 0.000 0.065 -27.412) 27.412 23.020 ( 0.000 -5.535 4.223) 6.962 23.178 ( 0.000 0.456 -8.200) 8.213 23.728 ( 0.000 -2.061 15.439) 15.576 23.994 ( 0.000 -1.970 -8.038) 8.275 ======================= Grid point 122 (44/60) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 12.936 16.538 -2.940) 21.201 1.712 ( 12.534 18.280 -6.667) 23.146 2.075 ( 12.715 23.024 9.418) 27.937 2.370 ( 6.143 16.203 -14.262) 22.443 2.495 ( -2.073 20.678 15.331) 25.825 2.816 ( -3.076 19.682 -8.876) 21.809 3.090 ( 0.547 5.104 9.189) 10.526 3.297 ( 1.423 9.402 6.858) 11.724 3.451 ( 1.476 -5.149 7.266) 9.027 3.463 ( -10.247 12.578 0.007) 16.223 3.750 ( 0.700 11.643 -4.706) 12.577 3.846 ( -4.141 11.786 -16.848) 20.974 4.183 ( 1.730 31.313 13.205) 34.028 4.492 ( 7.999 25.941 -17.858) 32.493 4.578 ( 22.463 41.618 14.337) 49.418 4.857 ( 11.545 34.323 14.302) 38.934 5.188 ( 3.497 18.100 -6.743) 19.629 5.417 ( 8.847 26.294 -24.874) 37.261 5.547 ( 5.998 16.076 5.293) 17.956 5.686 ( 2.086 20.513 2.587) 20.781 5.906 ( 5.936 21.690 0.507) 22.494 6.106 ( 8.797 19.259 16.455) 26.815 6.301 ( -1.992 19.305 -12.747) 23.219 6.400 ( 1.399 17.891 3.855) 18.355 6.517 ( 9.805 13.825 -3.785) 17.367 6.594 ( 8.508 22.342 -0.790) 23.920 6.841 ( 4.310 22.257 -9.020) 24.399 6.943 ( 14.964 10.782 -9.977) 20.970 7.313 ( -11.183 17.933 18.359) 27.995 7.564 ( -8.176 14.238 13.681) 21.372 7.696 ( -8.657 11.956 1.260) 14.815 7.779 ( 3.785 18.804 7.226) 20.497 7.847 ( -1.410 19.705 -1.564) 19.817 7.925 ( -3.623 9.143 -10.768) 14.583 7.991 ( 3.201 10.830 10.812) 15.634 8.110 ( 5.122 11.608 -0.268) 12.691 8.343 ( 4.889 9.432 -11.310) 15.517 8.467 ( -2.120 6.222 -18.623) 19.749 8.713 ( -3.238 3.559 7.828) 9.189 8.872 ( 5.203 8.099 -2.866) 10.044 9.061 ( -8.971 -0.968 4.447) 10.059 9.192 ( -5.249 0.113 28.180) 28.665 9.335 ( -7.167 -1.630 -10.948) 13.186 9.627 ( -9.480 -10.009 7.300) 15.599 9.785 ( -7.709 -2.053 12.471) 14.804 9.910 ( -1.892 -9.985 2.173) 10.392 10.006 ( -14.019 -14.830 -4.886) 20.984 10.028 ( -6.190 -7.245 7.268) 11.985 10.159 ( -5.240 -8.577 -8.477) 13.148 10.252 ( -0.205 3.580 -17.295) 17.662 10.534 ( -2.982 -5.841 -0.669) 6.592 10.604 ( -1.095 -15.369 -10.839) 18.839 10.857 ( 3.648 -11.312 1.637) 11.998 10.952 ( 2.798 -14.489 -3.013) 15.061 11.197 ( 1.484 -4.023 8.877) 9.858 11.227 ( 0.461 -3.201 3.501) 4.766 11.315 ( 0.019 3.252 -0.836) 3.358 11.494 ( -2.464 -7.838 -5.706) 10.003 11.542 ( 5.350 -9.851 8.397) 14.006 11.659 ( -5.140 -6.692 2.756) 8.877 11.802 ( -8.597 -9.982 4.333) 13.868 11.875 ( -7.524 -7.203 -5.078) 11.588 11.960 ( 2.416 2.182 7.178) 7.882 12.168 ( -0.901 -6.528 5.532) 8.605 12.246 ( -0.394 -6.733 -11.442) 13.282 12.430 ( -5.636 -5.672 -0.468) 8.010 12.645 ( 0.255 -1.062 -5.959) 6.058 12.708 ( -4.785 1.098 -0.322) 4.920 12.771 ( 2.540 -6.575 -1.355) 7.177 12.960 ( -5.946 -4.325 -9.248) 11.815 13.152 ( 3.890 -6.428 -0.624) 7.540 13.220 ( 2.824 -6.118 -0.533) 6.760 13.400 ( -0.147 -1.007 4.272) 4.392 13.469 ( 1.003 -5.335 -1.744) 5.701 13.532 ( 1.143 -0.269 3.551) 3.740 13.680 ( -4.511 -6.644 1.390) 8.150 13.810 ( -2.939 -3.097 4.583) 6.263 13.829 ( -2.279 -3.419 1.203) 4.282 13.952 ( -6.403 -8.042 -5.460) 11.639 13.991 ( 0.257 -1.585 -9.718) 9.850 14.198 ( -2.231 -3.635 13.961) 14.598 14.390 ( -5.620 7.036 6.383) 11.037 14.411 ( -4.612 -6.181 -3.973) 8.675 14.568 ( -1.598 0.738 -7.441) 7.646 14.961 ( 6.425 -2.432 2.771) 7.407 15.000 ( 7.894 -2.716 0.561) 8.367 15.159 ( -4.199 4.790 8.103) 10.307 15.412 ( -10.966 9.780 -12.228) 19.116 15.866 ( -14.244 1.542 8.258) 16.536 16.014 ( -16.471 -1.771 -3.773) 16.990 16.343 ( 4.309 -3.920 2.896) 6.505 16.445 ( -0.040 -2.109 -4.517) 4.985 16.688 ( -9.011 -11.276 9.557) 17.311 16.915 ( -8.365 -6.796 -9.676) 14.484 17.222 ( -5.306 -3.403 4.710) 7.869 17.316 ( -6.070 -4.166 -3.501) 8.152 20.225 ( -1.398 9.373 9.839) 13.661 20.410 ( -8.226 1.229 -0.079) 8.317 20.789 ( 7.789 6.112 -8.387) 12.975 20.903 ( 3.075 -2.120 -11.534) 12.124 21.950 ( -4.900 4.227 23.125) 24.013 22.111 ( -0.726 0.748 10.008) 10.062 22.425 ( 5.502 5.804 -6.375) 10.227 22.621 ( -5.077 -4.769 -23.298) 24.317 23.124 ( 9.804 -2.188 11.642) 15.377 23.407 ( 15.174 -1.851 -10.326) 18.447 23.737 ( 1.041 -2.282 13.065) 13.303 23.986 ( -0.796 -2.815 -7.582) 8.127 ======================= Grid point 123 (45/60) ======================= q-point: ( 0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 13.068 3.916 4.965) 14.518 2.035 ( 13.531 6.557 -3.211) 15.375 2.386 ( 13.729 13.036 4.431) 19.443 2.476 ( 5.802 9.115 18.740) 21.632 2.537 ( 9.446 14.084 -11.379) 20.422 2.776 ( 2.455 8.772 -6.400) 11.133 3.071 ( -3.364 6.082 11.012) 13.022 3.209 ( -5.493 9.076 1.431) 10.705 3.401 ( 1.806 3.606 -10.641) 11.379 3.456 ( -3.008 -4.061 -6.479) 8.217 3.811 ( 6.813 5.109 -14.710) 16.997 3.851 ( 2.112 9.973 -2.854) 10.586 4.283 ( 6.613 21.107 6.790) 23.138 4.543 ( 1.287 23.291 -14.299) 27.360 5.015 ( 16.572 33.556 16.120) 40.749 5.078 ( 8.295 10.499 9.247) 16.264 5.425 ( 20.232 11.518 2.941) 23.466 5.601 ( 14.395 6.385 3.966) 16.239 5.769 ( 7.277 20.340 -1.161) 21.634 5.910 ( 22.750 17.087 3.628) 28.682 6.082 ( 9.824 16.964 -2.947) 19.823 6.196 ( -0.514 10.619 -14.793) 18.217 6.358 ( 3.853 12.662 9.173) 16.103 6.454 ( 14.065 18.804 3.267) 23.708 6.671 ( 6.492 18.185 -4.737) 19.881 6.753 ( 2.451 16.371 -11.170) 19.970 7.028 ( 7.522 18.173 19.253) 27.523 7.131 ( 5.506 14.201 3.579) 15.646 7.277 ( 7.549 11.634 -5.091) 14.774 7.371 ( -9.625 11.286 11.236) 18.608 7.535 ( -4.553 14.191 -10.767) 18.386 7.743 ( -5.820 11.560 -9.697) 16.172 7.852 ( 2.543 11.279 5.209) 12.681 7.924 ( 2.991 6.012 -3.569) 7.604 8.056 ( 3.345 8.255 10.714) 13.933 8.229 ( 5.126 8.305 1.597) 9.890 8.370 ( -1.514 9.706 -5.406) 11.212 8.529 ( -0.952 1.018 -14.470) 14.537 8.593 ( -1.321 5.472 9.543) 11.079 8.848 ( -6.306 4.670 -2.454) 8.222 8.959 ( -1.097 1.043 -6.579) 6.751 9.053 ( -8.566 -7.265 2.318) 11.469 9.163 ( -6.550 2.537 5.747) 9.076 9.402 ( -12.755 -16.507 0.313) 20.863 9.544 ( -14.969 -1.215 8.473) 17.243 9.699 ( -14.538 -7.722 -1.171) 16.503 9.799 ( -7.938 -4.070 0.514) 8.935 9.927 ( -11.143 -2.872 -8.609) 14.371 10.030 ( 1.506 -6.952 14.498) 16.149 10.278 ( -0.910 -6.169 4.472) 7.673 10.503 ( -0.692 -4.042 -17.015) 17.502 10.544 ( -5.201 -15.272 -9.624) 18.786 10.856 ( -1.747 -10.790 5.596) 12.280 10.954 ( -2.857 -12.269 -5.213) 13.633 11.180 ( -5.023 1.401 7.278) 8.954 11.245 ( -0.055 -5.660 10.979) 12.352 11.323 ( -3.538 -8.124 2.303) 9.155 11.375 ( -7.991 -10.246 -3.723) 13.516 11.450 ( -9.755 -6.697 6.721) 13.608 11.570 ( -4.548 -7.512 3.890) 9.605 11.709 ( 6.286 -7.603 5.390) 11.241 11.811 ( -3.220 -2.228 -2.680) 4.745 12.047 ( 2.760 2.596 1.442) 4.054 12.116 ( -2.996 -4.080 -5.157) 7.226 12.248 ( 2.554 -0.553 -0.423) 2.647 12.331 ( -3.905 -1.883 -1.421) 4.562 12.538 ( -6.490 7.930 -9.681) 14.097 12.670 ( -3.636 -3.478 -4.751) 6.920 12.753 ( -5.153 -5.632 -6.433) 9.983 12.877 ( 0.724 -5.216 -11.825) 12.945 13.197 ( -0.334 -6.631 3.876) 7.688 13.266 ( 1.937 -7.848 -1.719) 8.264 13.423 ( -0.608 -4.001 3.345) 5.250 13.481 ( -2.357 -3.167 -3.135) 5.041 13.524 ( 0.431 -5.217 8.631) 10.094 13.607 ( -3.940 -4.603 1.826) 6.328 13.750 ( -1.450 1.918 4.176) 4.818 13.766 ( -3.794 -4.542 3.570) 6.912 13.817 ( -3.411 -0.579 1.559) 3.795 14.039 ( 2.909 1.521 -5.858) 6.715 14.159 ( 1.528 0.532 9.755) 9.888 14.350 ( -0.888 -2.899 -2.207) 3.750 14.377 ( 3.598 5.665 0.900) 6.771 14.527 ( -1.497 1.031 -10.365) 10.523 14.985 ( -6.164 9.523 5.742) 12.714 15.091 ( 5.547 -1.876 8.455) 10.285 15.161 ( -12.977 7.810 -8.269) 17.256 15.278 ( 9.124 -3.123 -5.948) 11.330 15.598 ( -11.850 3.316 5.686) 13.556 15.679 ( -14.702 0.531 -0.615) 14.725 16.188 ( -18.330 -13.324 6.355) 23.535 16.333 ( -10.924 -2.883 -5.068) 12.383 16.527 ( -7.099 -4.425 5.228) 9.865 16.685 ( -13.385 -2.927 -8.100) 15.916 17.062 ( -10.330 -4.338 5.023) 12.278 17.158 ( -9.793 -3.352 -3.224) 10.842 20.210 ( 0.350 3.448 3.825) 5.162 20.257 ( -6.187 -2.092 0.923) 6.596 20.899 ( 2.665 -0.403 -5.158) 5.820 20.945 ( 1.237 1.737 -7.511) 7.807 21.917 ( 0.477 -1.971 20.456) 20.557 22.088 ( -1.594 2.004 10.508) 10.815 22.450 ( -0.815 7.738 -13.128) 15.260 22.554 ( -3.136 -10.082 -21.368) 23.834 23.334 ( 8.965 0.082 15.600) 17.993 23.612 ( 4.515 -5.047 3.137) 7.463 23.779 ( 2.672 -1.736 -1.173) 3.395 23.964 ( -1.292 -4.780 -6.757) 8.377 ======================= Grid point 124 (46/60) ======================= q-point: ( 0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.363 -6.095 4.980) 8.559 2.190 ( 2.713 -3.323 -4.443) 6.176 2.571 ( 3.935 -0.236 18.879) 19.286 2.607 ( 10.472 -5.530 8.307) 14.466 2.816 ( 13.208 2.366 2.646) 13.676 2.960 ( -0.087 6.515 10.154) 12.065 3.027 ( 11.838 -5.235 -6.340) 14.413 3.140 ( -1.918 1.594 -6.489) 6.951 3.398 ( -2.635 -2.562 -13.155) 13.658 3.442 ( 3.085 1.248 -13.820) 14.215 3.905 ( 3.124 10.358 -2.550) 11.115 3.955 ( 4.916 2.819 -10.373) 11.820 4.356 ( 3.920 15.332 9.411) 18.412 4.653 ( 8.742 10.948 -15.769) 21.094 5.154 ( 8.437 -0.617 20.113) 21.820 5.396 ( 15.364 1.145 -1.654) 15.495 5.796 ( 11.107 -0.209 1.048) 11.158 5.875 ( 7.872 7.062 4.150) 11.361 5.953 ( 16.935 6.712 -1.973) 18.323 6.128 ( -0.790 -2.509 -15.875) 16.091 6.285 ( 11.218 14.847 10.159) 21.201 6.460 ( 18.315 19.015 -5.319) 26.932 6.544 ( 14.756 5.835 3.877) 16.335 6.653 ( 3.831 9.609 -2.841) 10.727 6.778 ( 4.965 12.780 1.354) 13.778 6.866 ( 9.867 14.332 -1.649) 17.478 7.132 ( 9.420 17.365 19.735) 27.924 7.185 ( -4.242 4.614 2.800) 6.865 7.249 ( -4.544 5.947 3.593) 8.302 7.358 ( 5.320 8.337 8.548) 13.072 7.541 ( 0.205 9.633 -3.988) 10.428 7.680 ( -1.163 3.750 -6.898) 7.937 7.873 ( -0.889 0.253 8.739) 8.788 7.972 ( 2.527 0.252 -0.624) 2.615 8.171 ( 0.953 1.040 0.704) 1.576 8.241 ( -0.455 1.991 -3.305) 3.885 8.314 ( 0.928 9.647 -0.692) 9.716 8.408 ( -2.786 0.147 -3.755) 4.678 8.663 ( 0.280 6.908 2.737) 7.435 8.782 ( -8.852 1.136 -2.898) 9.384 8.816 ( -1.702 10.950 -8.352) 13.877 8.963 ( -5.704 -12.159 -6.508) 14.924 9.062 ( -8.103 -4.935 1.919) 9.680 9.213 ( -0.552 -5.855 -3.238) 6.713 9.307 ( -5.283 -6.839 -1.666) 8.801 9.449 ( -6.620 -1.860 -9.662) 11.859 9.683 ( -3.522 1.571 9.459) 10.215 9.757 ( -5.621 -4.427 -1.665) 7.347 10.044 ( -1.358 -0.795 13.647) 13.737 10.143 ( -11.427 -13.701 2.706) 18.045 10.421 ( -5.789 -11.890 -6.879) 14.906 10.502 ( -0.250 -3.020 -19.870) 20.100 10.796 ( -8.800 -7.484 -1.472) 11.646 10.813 ( -6.012 -4.550 8.437) 11.315 10.999 ( -15.025 -13.547 5.131) 20.871 11.143 ( -8.032 -9.643 -2.065) 12.719 11.216 ( 0.047 -2.578 8.930) 9.294 11.272 ( -0.421 -8.242 6.352) 10.414 11.386 ( -2.203 -8.242 2.111) 8.789 11.531 ( -3.406 -6.296 0.589) 7.182 11.727 ( -1.697 -2.057 -3.004) 4.017 11.769 ( -3.060 3.623 9.332) 10.468 12.016 ( -5.610 -5.697 -8.300) 11.525 12.115 ( 2.086 -2.226 -5.816) 6.568 12.280 ( -2.800 -0.830 8.517) 9.003 12.289 ( 0.488 5.484 2.566) 6.074 12.476 ( 3.233 7.660 -6.533) 10.574 12.603 ( -0.942 -3.178 -14.963) 15.326 12.668 ( -4.330 -10.001 2.761) 11.243 12.877 ( -1.321 -2.536 -12.950) 13.262 13.135 ( -4.976 -6.709 5.615) 10.065 13.279 ( -3.481 -11.865 -5.620) 13.582 13.361 ( -0.708 -1.052 7.188) 7.299 13.435 ( -0.378 -0.184 0.680) 0.799 13.508 ( -4.163 -6.659 0.422) 7.864 13.527 ( -1.710 -4.321 -1.835) 4.997 13.683 ( -4.876 2.696 12.124) 13.343 13.785 ( 2.571 6.551 -1.685) 7.236 13.811 ( 1.802 0.849 7.905) 8.152 14.071 ( 0.374 2.779 -1.982) 3.434 14.244 ( 4.786 0.670 3.638) 6.049 14.417 ( 8.552 0.942 1.526) 8.737 14.485 ( 3.456 5.801 -7.151) 9.835 14.568 ( 8.027 3.657 -7.455) 11.549 14.824 ( -9.378 6.634 0.397) 11.493 14.897 ( -12.361 3.740 -6.541) 14.477 15.142 ( -0.507 -3.994 9.035) 9.892 15.314 ( -5.938 1.474 -3.441) 7.020 15.406 ( -9.733 3.481 5.459) 11.690 15.512 ( -2.501 8.621 -3.012) 9.468 15.860 ( -10.650 -6.645 9.019) 15.457 16.032 ( -14.940 -4.039 -4.191) 16.034 16.345 ( -12.027 2.604 -0.113) 12.307 16.389 ( -15.740 3.182 -3.268) 16.387 16.823 ( -13.358 -3.221 4.411) 14.432 16.918 ( -14.099 -1.453 -3.449) 14.587 20.187 ( -0.326 -7.165 3.942) 8.185 20.254 ( 4.017 -2.281 -1.265) 4.790 20.892 ( -2.761 -8.165 -2.635) 9.013 20.957 ( -0.560 2.811 -7.129) 7.684 21.927 ( -0.035 -9.024 19.027) 21.058 22.050 ( -2.012 3.068 11.908) 12.460 22.429 ( -1.336 5.746 -14.584) 15.732 22.475 ( -4.437 -9.031 -19.725) 22.143 23.447 ( 2.701 -0.333 14.439) 14.693 23.644 ( -0.192 -6.836 11.686) 13.540 23.798 ( -0.885 -3.125 -8.896) 9.470 23.930 ( -2.392 -5.777 -6.983) 9.374 ======================= Grid point 125 (47/60) ======================= q-point: ( 0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 5.063 -12.914 4.045) 14.449 2.210 ( 1.650 -14.432 -1.419) 14.595 2.603 ( -1.762 -3.568 14.750) 15.277 2.728 ( -2.333 -10.976 4.672) 12.155 2.833 ( -1.414 3.012 13.176) 13.590 3.064 ( 1.444 -5.135 3.418) 6.335 3.154 ( 3.191 3.550 -3.932) 6.184 3.233 ( 7.226 -13.225 6.116) 16.264 3.356 ( 0.572 -6.408 -15.364) 16.657 3.570 ( 9.110 0.950 -16.802) 19.137 3.882 ( -6.386 5.224 -2.464) 8.611 3.990 ( 0.429 8.630 -10.466) 13.572 4.606 ( 20.312 -3.224 8.544) 22.270 4.904 ( 17.534 -3.912 -15.916) 24.001 5.385 ( 12.262 -15.935 13.568) 24.256 5.627 ( 6.718 -14.237 -6.827) 17.159 5.902 ( 4.527 -4.459 -0.348) 6.364 6.051 ( 1.798 -6.142 -10.365) 12.182 6.105 ( 4.536 0.611 1.047) 4.695 6.213 ( 4.532 3.581 -7.008) 9.081 6.433 ( 1.430 4.528 8.978) 10.156 6.541 ( -1.020 0.092 0.534) 1.155 6.672 ( -0.746 -0.019 7.500) 7.537 6.805 ( 4.134 6.104 -3.118) 8.005 6.960 ( 1.022 -0.885 15.049) 15.110 7.005 ( 4.337 4.311 4.685) 7.703 7.147 ( 4.439 1.404 -2.274) 5.181 7.230 ( 12.372 1.606 -7.610) 14.613 7.295 ( -5.371 -2.676 20.255) 21.125 7.434 ( 1.919 -5.008 14.264) 15.239 7.526 ( 2.313 6.644 6.757) 9.754 7.726 ( 6.072 -1.676 -4.434) 7.703 7.870 ( 2.435 4.610 -3.863) 6.489 8.041 ( -1.878 -9.132 -10.741) 14.223 8.095 ( 7.059 9.241 2.138) 11.824 8.212 ( -3.701 -0.316 -3.848) 5.348 8.385 ( -2.677 6.641 -3.506) 7.973 8.470 ( 7.821 7.891 -7.516) 13.414 8.581 ( -2.291 -3.902 12.521) 13.314 8.708 ( -0.079 5.239 -4.566) 6.950 8.777 ( -5.014 -0.623 -9.139) 10.443 8.813 ( -1.419 4.443 -7.156) 8.542 8.956 ( -1.871 0.666 10.424) 10.612 9.231 ( 2.540 -7.429 0.154) 7.853 9.317 ( 2.433 -5.407 -9.155) 10.907 9.500 ( 5.234 2.763 -18.770) 19.681 9.548 ( -9.116 -8.737 12.884) 18.039 9.771 ( 4.904 2.648 8.278) 9.979 9.873 ( -11.107 -12.109 -10.016) 19.244 10.043 ( 0.523 6.662 9.135) 11.318 10.283 ( -7.958 -7.460 -10.199) 14.933 10.498 ( -0.582 -5.016 -18.304) 18.988 10.579 ( -11.092 -9.870 18.717) 23.891 10.656 ( -8.696 -7.135 8.661) 14.197 10.782 ( -7.668 -9.325 0.060) 12.073 10.923 ( -9.008 -8.525 -7.580) 14.536 11.273 ( -3.370 -5.216 9.945) 11.725 11.283 ( -2.233 -5.031 -1.268) 5.648 11.329 ( 1.648 -3.703 6.605) 7.750 11.448 ( -0.219 -8.481 -1.835) 8.681 11.653 ( -6.799 3.851 8.585) 11.608 11.700 ( -3.585 -8.468 -10.873) 14.241 11.871 ( -6.543 0.359 -8.100) 10.418 12.058 ( -6.376 -2.387 -10.242) 12.299 12.248 ( 0.323 1.716 16.708) 16.799 12.396 ( 8.270 -2.941 15.749) 18.030 12.497 ( -7.459 -7.378 3.957) 11.213 12.585 ( 5.052 -1.568 -6.725) 8.556 12.667 ( 1.733 -10.078 -8.653) 13.396 12.865 ( 1.929 -1.473 -17.433) 17.601 13.040 ( -5.108 -3.171 6.705) 9.006 13.222 ( -1.076 -5.658 -7.144) 9.176 13.321 ( -3.340 -1.971 8.512) 9.354 13.391 ( -4.800 -5.103 1.545) 7.174 13.451 ( -0.308 4.633 7.521) 8.839 13.569 ( 4.692 1.688 -4.611) 6.791 13.608 ( -0.123 4.334 8.011) 9.109 13.809 ( -1.741 4.750 1.115) 5.180 13.849 ( 1.845 5.925 -3.735) 7.243 14.023 ( -5.804 6.636 -11.776) 14.711 14.351 ( 6.293 1.456 7.058) 9.567 14.540 ( 2.244 8.346 -1.108) 8.713 14.611 ( 5.651 0.975 -2.041) 6.087 14.678 ( -2.221 1.850 -0.449) 2.925 14.696 ( -1.030 0.639 -2.039) 2.372 14.749 ( 2.808 2.018 -4.741) 5.868 15.113 ( -0.984 -0.802 7.009) 7.123 15.166 ( -12.104 -1.817 4.920) 13.191 15.219 ( -4.040 10.197 1.511) 11.072 15.418 ( -3.625 6.039 -10.267) 12.451 15.758 ( -5.315 5.587 9.135) 11.954 15.843 ( -2.224 6.029 3.797) 7.464 16.084 ( -14.576 10.284 -3.583) 18.195 16.099 ( -8.837 7.356 -4.019) 12.180 16.534 ( -15.173 0.679 3.017) 15.485 16.602 ( -17.045 1.865 -2.571) 17.338 20.244 ( 5.694 -11.683 6.079) 14.348 20.370 ( 7.238 -7.115 -3.096) 10.612 20.801 ( -6.070 -11.445 -1.740) 13.072 20.908 ( -4.401 -1.750 -9.055) 10.218 21.919 ( -0.296 -11.767 18.269) 21.733 22.011 ( -1.981 0.342 14.068) 14.211 22.385 ( -3.065 -2.659 -16.213) 16.713 22.402 ( -2.434 -2.610 -17.073) 17.442 23.475 ( 0.829 -2.330 13.516) 13.741 23.616 ( -2.485 -6.839 12.312) 14.302 23.769 ( -1.322 -5.850 -9.695) 11.400 23.866 ( -3.746 -6.595 -7.423) 10.612 ======================= Grid point 126 (48/60) ======================= q-point: ( 0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 8.521 -14.601 4.299) 17.443 2.322 ( 9.499 -16.723 1.938) 19.330 2.477 ( -9.533 -8.577 7.888) 15.055 2.552 ( -12.085 -15.406 3.788) 19.943 2.881 ( 4.639 2.636 15.279) 16.184 2.986 ( -5.718 0.792 9.343) 10.982 3.220 ( 2.344 -0.937 -8.752) 9.109 3.263 ( -2.089 -6.553 -9.394) 11.643 3.493 ( 10.386 -8.698 0.037) 13.547 3.679 ( -5.904 -0.085 4.388) 7.357 3.809 ( 6.307 2.169 -20.911) 21.949 3.947 ( -5.043 6.240 -16.353) 18.215 5.088 ( 25.239 -19.734 9.127) 33.313 5.280 ( 14.844 -21.192 -5.590) 26.471 5.542 ( 0.696 -23.439 -3.690) 23.738 5.602 ( -9.315 -23.101 -10.492) 27.028 5.945 ( 1.474 -10.855 7.809) 13.453 6.060 ( -7.907 -1.717 8.766) 11.929 6.140 ( 6.549 -6.984 -2.116) 9.805 6.242 ( -2.051 -2.134 -5.025) 5.832 6.384 ( 0.018 -7.707 14.364) 16.301 6.459 ( -4.966 -3.104 8.028) 9.937 6.678 ( 1.990 3.327 -5.984) 7.130 6.761 ( -6.299 -1.274 -5.712) 8.598 7.029 ( 5.719 -13.786 17.866) 23.280 7.092 ( 4.974 -3.745 11.141) 12.763 7.164 ( -3.195 -1.375 9.538) 10.152 7.264 ( -0.470 -0.137 3.785) 3.816 7.322 ( -0.302 -1.567 6.040) 6.247 7.441 ( 0.150 -0.912 -11.741) 11.778 7.619 ( 5.013 -7.767 -12.836) 15.818 7.737 ( -6.705 -9.266 -19.028) 22.201 7.972 ( 5.933 2.967 4.357) 7.937 8.011 ( 3.350 -2.497 0.682) 4.233 8.173 ( -1.036 1.816 -1.315) 2.470 8.264 ( -7.138 -1.444 -9.181) 11.719 8.387 ( 15.940 5.168 11.141) 20.122 8.623 ( 8.880 2.418 4.087) 10.070 8.664 ( -6.759 4.302 1.685) 8.188 8.680 ( 4.606 4.404 5.661) 8.524 8.741 ( 7.239 8.113 -14.469) 18.099 8.816 ( -4.298 2.415 8.620) 9.931 8.937 ( 2.737 2.125 -6.775) 7.610 9.197 ( -14.682 6.425 -11.564) 19.763 9.332 ( 4.853 -4.506 8.464) 10.747 9.429 ( -5.533 -4.633 7.059) 10.095 9.556 ( 7.084 -12.939 1.064) 14.790 9.718 ( -6.702 -11.777 -14.912) 20.149 9.870 ( 6.246 6.776 8.156) 12.306 10.035 ( -6.852 6.183 5.787) 10.893 10.229 ( 6.950 2.443 -8.758) 11.444 10.401 ( -6.052 -3.023 11.504) 13.345 10.431 ( -5.308 -8.475 -8.865) 13.363 10.498 ( -7.158 -12.124 5.654) 15.172 10.717 ( 3.918 -10.897 -14.277) 18.382 10.839 ( -3.917 -13.398 -19.957) 24.355 11.119 ( -1.460 -4.808 11.159) 12.239 11.239 ( -6.094 -2.689 7.133) 9.760 11.370 ( -4.068 -10.084 9.205) 14.246 11.383 ( -0.932 -1.909 17.893) 18.018 11.607 ( 2.631 6.150 -14.628) 16.085 11.712 ( 4.740 -6.146 -6.461) 10.099 11.760 ( -3.381 2.226 -10.348) 11.111 11.915 ( -8.104 -4.571 -10.209) 13.813 12.267 ( 2.363 -7.165 19.961) 21.340 12.354 ( -6.013 -11.225 13.211) 18.349 12.578 ( 8.395 -9.486 13.727) 18.679 12.662 ( 0.518 -11.963 -9.144) 15.067 12.703 ( 4.499 1.073 -5.114) 6.895 12.874 ( -9.614 -3.957 7.982) 13.107 12.967 ( 5.836 -5.641 -8.712) 11.907 13.113 ( -7.782 -10.224 -2.081) 13.017 13.344 ( 2.369 3.267 1.876) 4.450 13.411 ( -2.669 7.721 5.028) 9.592 13.440 ( 10.247 11.295 -2.649) 15.479 13.634 ( -0.792 6.771 1.889) 7.074 13.663 ( 1.711 7.239 -6.431) 9.833 13.730 ( -3.819 5.175 1.080) 6.521 13.847 ( -1.689 5.996 -7.563) 9.798 13.879 ( -5.316 7.232 -15.823) 18.192 14.476 ( 5.387 -0.025 8.408) 9.986 14.546 ( -1.087 1.917 7.417) 7.737 14.660 ( 2.512 3.626 -3.763) 5.798 14.680 ( 1.097 0.663 -0.918) 1.576 14.754 ( 1.791 -0.303 1.290) 2.228 14.792 ( 3.909 2.503 -0.537) 4.672 14.925 ( -8.890 3.014 1.929) 9.583 15.022 ( -10.477 -0.239 -4.225) 11.299 15.265 ( 11.287 10.435 11.741) 19.343 15.479 ( -0.855 7.477 2.791) 8.027 15.583 ( -1.892 12.353 -2.793) 12.805 15.772 ( -11.985 11.782 -8.961) 19.046 15.977 ( 9.221 11.547 5.065) 15.621 16.061 ( 4.048 9.255 -2.156) 10.329 16.244 ( -12.986 5.797 0.713) 14.239 16.262 ( -15.734 6.349 -0.515) 16.975 20.392 ( 8.291 -14.100 7.620) 18.045 20.496 ( 1.927 -11.295 4.432) 12.286 20.691 ( -1.673 -10.813 -9.154) 14.266 20.786 ( -7.250 -6.089 -11.596) 14.970 21.929 ( 1.368 -9.952 17.705) 20.356 21.968 ( -2.252 -5.322 16.444) 17.430 22.345 ( -0.579 -4.256 -16.771) 17.313 22.359 ( -1.702 -2.353 -16.401) 16.656 23.501 ( 2.008 -4.376 12.595) 13.484 23.555 ( -3.202 -5.915 12.075) 13.823 23.761 ( 0.630 -7.542 -9.005) 11.764 23.796 ( -2.851 -7.625 -8.006) 11.418 ======================= Grid point 132 (49/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 25.059 1.231) 25.089 2.181 ( 0.000 25.591 -15.366) 29.850 2.288 ( 0.000 16.713 14.023) 21.817 2.685 ( 0.000 17.663 -19.504) 26.313 2.913 ( 0.000 16.348 13.472) 21.184 3.132 ( 0.000 1.708 7.989) 8.170 3.229 ( 0.000 13.090 -12.285) 17.952 3.264 ( 0.000 -8.511 1.823) 8.704 3.426 ( 0.000 0.417 11.160) 11.168 3.535 ( 0.000 -10.867 22.998) 25.436 3.716 ( 0.000 -1.160 -6.293) 6.399 4.063 ( 0.000 -9.888 -21.336) 23.516 4.876 ( 0.000 33.808 -0.101) 33.809 5.127 ( 0.000 37.142 -18.054) 41.298 5.268 ( 0.000 41.982 21.495) 47.164 5.555 ( 0.000 34.556 12.653) 36.800 5.744 ( 0.000 35.736 -4.586) 36.029 5.836 ( 0.000 22.158 3.572) 22.444 5.902 ( 0.000 26.325 0.334) 26.327 6.263 ( 0.000 13.237 15.243) 20.188 6.360 ( 0.000 26.146 9.926) 27.967 6.461 ( 0.000 33.789 -18.541) 38.541 6.585 ( 0.000 12.989 -8.804) 15.692 6.840 ( 0.000 17.023 -16.244) 23.530 6.872 ( 0.000 20.749 6.645) 21.787 6.972 ( 0.000 26.462 0.720) 26.472 7.106 ( 0.000 23.480 -9.081) 25.175 7.323 ( 0.000 26.129 -24.934) 36.117 7.596 ( 0.000 -4.633 20.401) 20.921 7.857 ( 0.000 0.140 3.962) 3.965 7.956 ( 0.000 18.757 16.011) 24.662 8.047 ( 0.000 8.820 13.934) 16.491 8.222 ( 0.000 5.750 -2.644) 6.329 8.225 ( 0.000 16.416 9.801) 19.119 8.282 ( 0.000 -2.275 -8.941) 9.226 8.315 ( 0.000 16.837 -6.718) 18.128 8.497 ( 0.000 22.713 -13.165) 26.252 8.642 ( 0.000 -1.621 -15.588) 15.672 8.847 ( 0.000 8.939 17.114) 19.308 9.001 ( 0.000 -15.465 2.281) 15.633 9.041 ( 0.000 12.847 -0.860) 12.876 9.155 ( 0.000 -17.663 -8.943) 19.798 9.410 ( 0.000 7.396 31.654) 32.507 9.412 ( 0.000 -12.160 3.615) 12.686 9.734 ( 0.000 -23.640 -14.941) 27.965 9.761 ( 0.000 -4.166 0.578) 4.206 9.779 ( 0.000 -8.849 8.959) 12.593 9.962 ( 0.000 -9.449 -4.044) 10.278 10.142 ( 0.000 7.108 3.022) 7.724 10.389 ( 0.000 -1.160 -1.085) 1.589 10.427 ( 0.000 -6.792 11.663) 13.497 10.496 ( 0.000 1.185 -10.770) 10.835 10.585 ( 0.000 -14.328 -3.846) 14.835 10.654 ( 0.000 2.767 -29.504) 29.633 11.047 ( 0.000 -8.137 5.550) 9.850 11.217 ( 0.000 -14.363 -4.109) 14.940 11.278 ( 0.000 3.366 3.872) 5.131 11.303 ( 0.000 -7.512 9.549) 12.149 11.324 ( 0.000 -3.758 -0.807) 3.844 11.603 ( 0.000 -3.453 -11.179) 11.700 11.723 ( 0.000 -6.829 8.178) 10.654 11.804 ( 0.000 -8.121 15.033) 17.087 11.899 ( 0.000 -7.218 -2.466) 7.628 12.005 ( 0.000 -5.216 6.462) 8.304 12.035 ( 0.000 -11.165 -5.694) 12.533 12.355 ( 0.000 -7.718 -15.597) 17.402 12.406 ( 0.000 -10.420 15.921) 19.027 12.754 ( 0.000 3.011 2.474) 3.897 12.835 ( 0.000 4.419 -5.907) 7.377 12.866 ( 0.000 -13.082 -17.941) 22.204 13.014 ( 0.000 -1.549 1.354) 2.057 13.074 ( 0.000 -5.658 -3.457) 6.631 13.364 ( 0.000 -3.786 2.837) 4.731 13.404 ( 0.000 -3.672 13.246) 13.745 13.449 ( 0.000 -4.330 -4.870) 6.516 13.591 ( 0.000 -6.953 9.859) 12.064 13.619 ( 0.000 -12.177 -4.621) 13.025 13.745 ( 0.000 -6.115 7.757) 9.878 13.805 ( 0.000 -6.582 -8.368) 10.646 13.980 ( 0.000 -2.210 -12.028) 12.230 14.223 ( 0.000 4.001 7.670) 8.651 14.336 ( 0.000 0.286 -2.578) 2.594 14.591 ( 0.000 1.524 2.503) 2.931 14.619 ( 0.000 -2.197 1.119) 2.466 14.844 ( 0.000 8.865 2.793) 9.295 14.956 ( 0.000 7.728 -6.578) 10.148 15.439 ( 0.000 11.583 14.718) 18.729 15.765 ( 0.000 12.718 -13.086) 18.248 15.832 ( 0.000 -16.642 5.377) 17.489 15.981 ( 0.000 -18.143 -7.315) 19.562 16.411 ( 0.000 13.483 7.779) 15.566 16.483 ( 0.000 -17.941 11.725) 21.433 16.572 ( 0.000 12.410 -5.728) 13.668 16.752 ( 0.000 -15.362 -10.915) 18.844 17.186 ( 0.000 -6.924 3.802) 7.899 17.260 ( 0.000 -7.955 -2.523) 8.346 20.460 ( 0.000 8.649 10.185) 13.362 20.598 ( 0.000 1.701 8.392) 8.563 20.777 ( 0.000 4.714 -17.052) 17.692 20.832 ( 0.000 0.393 -11.041) 11.048 22.114 ( 0.000 1.225 25.700) 25.729 22.119 ( 0.000 -0.246 14.455) 14.457 22.439 ( 0.000 6.217 -12.585) 14.037 22.706 ( 0.000 -2.031 -25.767) 25.847 23.041 ( 0.000 7.603 10.379) 12.866 23.269 ( 0.000 8.226 -8.661) 11.945 23.653 ( 0.000 -5.715 15.119) 16.163 23.913 ( 0.000 -6.330 -7.905) 10.127 ======================= Grid point 133 (50/60) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.859 20.085 -1.604) 20.727 2.132 ( 1.137 21.548 -6.622) 22.572 2.458 ( 10.696 15.528 7.394) 20.253 2.720 ( 3.141 15.095 -11.938) 19.500 2.868 ( -6.591 14.345 16.409) 22.770 3.099 ( -4.346 8.492 1.935) 9.734 3.220 ( 1.132 6.137 -3.311) 7.064 3.287 ( 3.846 -5.086 2.356) 6.798 3.430 ( -0.573 -1.957 -1.518) 2.542 3.539 ( -0.294 1.990 2.695) 3.363 3.806 ( 6.780 -3.183 7.396) 10.526 4.031 ( -3.631 1.446 -16.896) 17.342 4.752 ( -7.029 30.353 7.368) 32.016 5.077 ( -2.658 30.698 -16.963) 35.173 5.377 ( 6.972 32.693 8.907) 34.594 5.595 ( 1.899 23.138 4.883) 23.723 5.697 ( -4.292 34.883 -1.997) 35.203 5.788 ( -4.238 17.958 2.713) 18.649 6.047 ( 15.090 33.492 5.404) 37.130 6.182 ( -6.316 19.679 11.144) 23.481 6.422 ( 3.145 19.121 -0.610) 19.388 6.469 ( 0.441 21.214 5.934) 22.033 6.635 ( 0.441 11.073 -17.676) 20.863 6.734 ( -7.708 18.766 0.400) 20.291 6.845 ( 5.278 18.415 -2.015) 19.262 7.048 ( 3.978 20.659 -3.932) 21.403 7.229 ( 9.034 16.672 -6.566) 20.067 7.306 ( 0.520 22.162 -13.366) 25.886 7.621 ( -0.133 7.076 20.722) 21.898 7.819 ( -9.575 10.265 3.864) 14.560 7.889 ( -4.766 1.580 6.013) 7.834 7.902 ( -7.874 8.575 9.017) 14.726 8.116 ( -7.767 2.686 -4.674) 9.455 8.200 ( -4.796 12.498 4.754) 14.205 8.279 ( -1.187 3.259 -5.248) 6.290 8.318 ( -0.631 10.821 -1.030) 10.889 8.541 ( 5.287 13.862 -14.360) 20.648 8.621 ( 0.198 7.911 -6.647) 10.334 8.779 ( -6.351 2.597 9.823) 11.982 8.971 ( -8.055 -8.606 -1.825) 11.928 9.029 ( 1.998 -0.302 -1.772) 2.688 9.090 ( -4.196 1.067 -5.567) 7.053 9.352 ( -7.008 -1.636 4.705) 8.598 9.398 ( -7.132 -7.305 5.643) 11.665 9.625 ( 0.653 -9.541 10.330) 14.077 9.750 ( -5.302 -9.484 1.015) 10.913 9.753 ( -5.046 -7.704 7.496) 11.874 9.896 ( -4.372 -7.142 -0.449) 8.386 10.106 ( -4.792 4.112 -1.395) 6.467 10.303 ( -4.392 1.167 3.729) 5.878 10.354 ( -7.840 -8.079 -7.655) 13.614 10.517 ( 1.293 0.507 -12.539) 12.615 10.614 ( 3.202 -9.290 -0.512) 9.839 10.699 ( 3.285 -8.554 -10.506) 13.940 11.075 ( 0.292 -6.720 4.500) 8.093 11.135 ( -3.856 -6.844 0.419) 7.867 11.290 ( -1.125 -4.521 2.655) 5.362 11.327 ( 1.346 -6.636 -1.569) 6.951 11.384 ( 4.138 -4.630 10.941) 12.581 11.539 ( -12.722 -7.394 7.786) 16.648 11.638 ( -1.587 -3.945 -4.983) 6.551 11.719 ( -5.550 -7.137 -7.594) 11.807 11.908 ( 3.197 -7.615 4.160) 9.248 12.059 ( 3.637 -3.780 11.608) 12.738 12.085 ( 2.358 -8.960 -8.239) 12.398 12.333 ( -1.957 -3.140 1.787) 4.109 12.478 ( 4.556 -11.269 -1.828) 12.291 12.742 ( -2.145 3.562 0.599) 4.201 12.813 ( 1.094 4.788 -2.649) 5.580 12.825 ( -4.796 -10.607 -18.581) 21.926 13.054 ( 2.294 -0.972 -0.895) 2.647 13.090 ( 1.996 -6.950 -3.028) 7.840 13.360 ( -0.880 -3.174 8.503) 9.119 13.369 ( 0.387 -2.875 2.388) 3.758 13.462 ( -2.381 -6.744 2.105) 7.455 13.519 ( -0.435 -9.214 0.048) 9.224 13.722 ( 2.616 -5.027 2.136) 6.055 13.742 ( 1.692 -3.561 9.436) 10.227 13.822 ( 0.832 -3.779 -6.114) 7.236 14.021 ( 4.454 2.001 -12.294) 13.228 14.207 ( -1.129 3.193 7.329) 8.074 14.313 ( -1.395 0.447 -1.732) 2.269 14.526 ( -5.693 4.830 4.937) 8.951 14.637 ( -1.194 2.787 -4.265) 5.233 14.933 ( 9.496 0.543 1.133) 9.579 14.969 ( 2.333 3.686 -1.996) 4.798 15.312 ( -9.467 8.728 12.827) 18.175 15.602 ( -14.226 8.133 -11.970) 20.293 15.757 ( -7.765 -12.111 2.337) 14.575 15.862 ( -10.290 -11.919 -5.930) 16.826 16.306 ( -13.180 -3.523 11.879) 18.090 16.435 ( -0.152 -4.151 9.650) 10.506 16.549 ( -4.596 6.431 -5.766) 9.784 16.714 ( -3.837 -10.885 -11.528) 16.313 17.125 ( -6.200 -7.018 4.379) 10.337 17.201 ( -5.343 -7.268 -2.299) 9.309 20.376 ( -6.769 4.447 4.734) 9.381 20.470 ( -9.430 5.200 0.431) 10.778 20.802 ( 2.363 -3.005 -2.840) 4.762 20.952 ( 6.458 4.791 -10.521) 13.242 21.934 ( -8.822 -3.449 19.654) 21.817 22.204 ( 1.357 6.174 15.963) 17.169 22.435 ( -1.844 -3.012 -17.935) 18.279 22.658 ( -2.280 5.925 -20.079) 21.059 23.161 ( 10.275 5.562 13.725) 18.024 23.410 ( 9.514 2.357 -5.204) 11.098 23.670 ( 2.114 -4.445 10.206) 11.331 23.899 ( -1.494 -5.989 -7.591) 9.783 ======================= Grid point 134 (51/60) ======================= q-point: ( 0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 3.007 14.529 1.511) 14.914 2.259 ( 7.884 13.654 -8.286) 17.812 2.595 ( -2.087 5.999 9.099) 11.097 2.722 ( -2.254 13.841 17.078) 22.098 2.787 ( 1.188 7.909 -6.713) 10.441 2.986 ( -4.639 11.969 -5.221) 13.858 3.234 ( -0.687 6.775 3.686) 7.743 3.302 ( -9.017 -3.697 0.791) 9.778 3.345 ( -2.524 5.159 -1.663) 5.979 3.578 ( 1.636 8.546 -18.434) 20.384 3.860 ( 1.711 0.215 9.740) 9.892 4.043 ( 5.361 8.259 -8.850) 13.239 4.689 ( 0.656 19.986 11.012) 22.829 5.058 ( -1.057 22.973 -18.573) 29.560 5.379 ( -8.210 18.266 4.491) 20.524 5.548 ( -10.069 23.335 -2.873) 25.577 5.703 ( 9.022 14.381 8.614) 19.037 5.800 ( 8.659 9.413 -0.727) 12.810 6.034 ( -8.588 10.274 6.373) 14.830 6.271 ( -13.058 5.902 -2.334) 14.519 6.414 ( 16.802 24.783 2.070) 30.013 6.543 ( 5.860 8.751 5.365) 11.820 6.612 ( -1.535 21.292 -0.631) 21.357 6.733 ( 6.444 7.389 -6.455) 11.738 6.973 ( 3.111 10.936 2.703) 11.687 7.103 ( 1.656 15.178 -2.837) 15.529 7.363 ( 5.156 14.600 -2.451) 15.676 7.449 ( 11.877 7.410 -6.163) 15.296 7.499 ( -17.292 4.364 6.302) 18.915 7.547 ( -9.158 11.591 16.054) 21.816 7.619 ( -13.639 -4.616 1.231) 14.452 7.882 ( -7.153 -1.827 6.074) 9.561 7.951 ( -2.193 9.986 4.620) 11.219 8.103 ( -4.157 12.157 -2.295) 13.052 8.283 ( 0.013 9.530 -6.299) 11.423 8.289 ( -0.944 -2.504 -5.113) 5.771 8.570 ( -3.932 11.791 4.519) 13.226 8.666 ( -11.699 -1.099 3.981) 12.407 8.675 ( 5.653 5.406 -12.410) 14.670 8.809 ( -0.184 -0.519 -2.430) 2.491 8.955 ( -6.199 3.443 0.053) 7.091 9.088 ( 1.609 6.618 -11.084) 13.010 9.153 ( -10.989 -2.991 4.544) 12.262 9.236 ( -7.065 -0.728 -2.915) 7.677 9.473 ( -15.765 -6.870 5.626) 18.094 9.642 ( -5.165 0.452 -0.862) 5.256 9.681 ( -3.230 -7.185 10.785) 13.356 9.809 ( -5.097 -8.044 2.664) 9.888 9.980 ( -5.532 2.773 -2.173) 6.558 10.186 ( -6.851 -3.997 2.691) 8.376 10.265 ( -0.093 -1.604 -2.473) 2.949 10.574 ( 2.679 -0.098 -15.093) 15.330 10.661 ( 1.069 -5.844 1.411) 6.106 10.715 ( -2.687 -10.023 -8.574) 13.461 11.018 ( -5.613 -14.741 6.711) 17.142 11.093 ( -1.679 -8.599 4.672) 9.930 11.160 ( -13.421 -6.022 8.356) 16.918 11.241 ( -12.478 -4.478 -7.121) 15.049 11.277 ( -3.759 -8.195 0.281) 9.021 11.426 ( -3.969 -7.685 -3.363) 9.280 11.619 ( 7.900 -1.575 12.136) 14.566 11.781 ( 1.336 -0.690 0.584) 1.613 11.941 ( 1.633 -10.246 -3.123) 10.835 12.022 ( -3.743 -4.778 -4.038) 7.290 12.213 ( 7.406 -5.784 6.669) 11.523 12.280 ( -2.762 1.052 9.929) 10.359 12.498 ( -2.527 -6.723 -6.922) 9.975 12.672 ( -8.406 -5.550 -19.442) 21.896 12.740 ( -0.061 2.058 0.831) 2.221 12.860 ( 2.499 4.554 -3.229) 6.117 13.060 ( -0.881 -3.957 0.251) 4.061 13.149 ( 2.159 -2.684 -8.046) 8.753 13.359 ( -1.561 -2.223 3.423) 4.370 13.399 ( 3.126 -3.601 1.131) 4.901 13.427 ( -0.688 -4.316 4.340) 6.159 13.494 ( -1.063 -3.646 -0.726) 3.866 13.736 ( 1.514 -1.233 4.467) 4.875 13.797 ( 0.723 0.300 8.997) 9.031 13.855 ( 3.366 3.913 -0.491) 5.185 14.094 ( 1.380 4.395 -0.352) 4.620 14.234 ( 3.793 5.108 -0.903) 6.426 14.307 ( 1.888 0.520 -0.223) 1.971 14.479 ( 3.823 2.890 1.306) 4.967 14.568 ( -3.569 3.692 -6.962) 8.651 15.012 ( 0.772 -4.030 7.463) 8.516 15.118 ( -10.630 0.262 2.169) 10.852 15.152 ( 6.528 -5.922 -7.057) 11.291 15.243 ( -17.175 -1.541 -6.119) 18.297 15.633 ( -1.684 -1.252 3.931) 4.456 15.717 ( -2.551 4.175 -2.759) 5.617 15.943 ( -19.144 -9.137 15.511) 26.278 16.296 ( -17.409 -1.263 -13.683) 22.179 16.467 ( -0.029 -0.953 7.582) 7.642 16.630 ( -5.621 -0.559 -6.169) 8.365 16.946 ( -10.929 -7.316 6.472) 14.658 17.058 ( -8.884 -6.582 -3.404) 11.569 20.218 ( -8.593 -0.404 1.973) 8.826 20.304 ( -6.238 4.130 -3.233) 8.150 20.806 ( -2.508 -5.576 4.440) 7.556 21.029 ( 0.967 3.493 -10.226) 10.849 21.791 ( -5.545 -7.595 19.252) 21.426 22.195 ( -1.928 5.763 11.349) 12.874 22.372 ( -3.691 -7.116 -19.841) 21.400 22.622 ( -2.305 8.312 -16.547) 18.660 23.364 ( 8.221 2.476 15.133) 17.399 23.517 ( 1.182 -3.622 9.377) 10.121 23.742 ( 3.414 -1.906 -4.992) 6.341 23.854 ( -2.683 -5.874 -6.879) 9.435 ======================= Grid point 135 (52/60) ======================= q-point: ( 0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -6.785 10.388 6.382) 13.953 2.289 ( -8.049 12.841 -8.767) 17.508 2.498 ( -0.340 0.168 8.859) 8.868 2.638 ( -8.596 2.930 5.673) 10.708 2.767 ( 0.373 -3.699 -0.126) 3.720 3.008 ( 0.689 0.387 -4.790) 4.855 3.073 ( -7.880 2.772 10.674) 13.554 3.193 ( -2.551 2.576 -0.974) 3.754 3.325 ( -0.189 1.852 -0.564) 1.945 3.594 ( 0.652 8.174 -22.257) 23.719 3.904 ( -0.215 -8.133 6.392) 10.346 4.153 ( 4.049 11.673 -10.502) 16.216 4.734 ( 0.899 16.591 6.230) 17.745 4.911 ( -10.386 19.135 -7.781) 23.121 5.272 ( -2.947 -0.999 -3.016) 4.334 5.296 ( -11.371 3.800 3.378) 12.456 5.851 ( -4.530 5.419 6.856) 9.843 5.930 ( 8.319 -0.935 2.563) 8.755 5.975 ( -3.523 -10.887 -3.814) 12.062 6.113 ( 7.439 6.285 -5.044) 10.968 6.522 ( -0.659 0.505 12.750) 12.777 6.581 ( -4.895 0.281 0.828) 4.972 6.723 ( -5.124 -1.559 -4.949) 7.292 6.797 ( 4.816 5.329 -12.932) 14.793 6.995 ( 3.376 10.051 8.454) 13.561 7.127 ( -0.701 9.505 5.596) 11.053 7.208 ( -3.878 1.489 9.458) 10.330 7.294 ( -11.250 -1.602 -7.926) 13.855 7.378 ( -9.941 0.285 18.700) 21.180 7.509 ( 2.954 9.211 5.447) 11.102 7.653 ( 3.991 5.131 -5.112) 8.270 7.760 ( -0.322 7.136 -0.091) 7.143 7.952 ( -0.225 8.240 -0.575) 8.263 8.047 ( -3.671 6.114 -5.830) 9.211 8.176 ( -4.344 3.978 13.250) 14.501 8.291 ( -2.742 -1.055 -4.937) 5.745 8.462 ( -1.970 6.524 8.328) 10.761 8.589 ( 3.406 12.681 0.501) 13.140 8.711 ( -1.053 -3.504 -8.082) 8.871 8.797 ( -6.180 1.484 -8.953) 10.979 8.846 ( -2.726 5.125 4.564) 7.384 8.996 ( -3.087 -0.957 12.253) 12.672 9.085 ( -2.108 7.059 -9.152) 11.749 9.153 ( -2.572 1.191 0.691) 2.918 9.216 ( -6.964 3.307 -9.563) 12.283 9.567 ( -1.171 7.591 -11.015) 13.428 9.571 ( -5.171 -5.001 0.690) 7.227 9.705 ( -4.223 -6.162 -2.104) 7.761 9.867 ( -7.582 -6.924 6.931) 12.388 10.095 ( -2.443 -1.358 1.035) 2.981 10.289 ( 1.918 3.077 -0.793) 3.712 10.502 ( -9.244 -0.139 -13.092) 16.028 10.625 ( -4.901 -11.044 -9.423) 15.322 10.677 ( -1.932 -9.607 2.192) 10.041 10.734 ( -19.911 -10.188 2.887) 22.552 10.927 ( -6.053 -9.655 -6.276) 13.010 11.096 ( 1.925 -8.605 10.044) 13.366 11.140 ( -0.046 -5.826 3.186) 6.641 11.201 ( -3.939 -7.271 1.337) 8.377 11.340 ( -5.207 -10.326 -6.400) 13.217 11.691 ( -3.198 -3.219 14.453) 15.148 11.732 ( -3.930 -3.436 11.050) 12.221 11.951 ( -0.112 -8.388 -5.106) 9.820 11.995 ( 0.307 -1.534 -9.660) 9.786 12.208 ( -4.275 0.020 9.043) 10.003 12.358 ( 2.301 -11.459 1.312) 11.761 12.425 ( -3.048 -7.076 -5.782) 9.633 12.517 ( -4.768 1.712 -11.100) 12.202 12.677 ( -5.403 0.575 5.012) 7.392 12.898 ( 1.269 5.374 -5.115) 7.527 13.034 ( -2.245 -1.179 2.151) 3.325 13.164 ( -0.904 -1.580 -11.109) 11.257 13.319 ( -1.263 -2.702 6.155) 6.840 13.411 ( 0.722 1.069 3.302) 3.545 13.473 ( 4.130 2.568 0.141) 4.865 13.529 ( 4.329 4.733 -4.028) 7.574 13.765 ( -1.739 3.622 10.437) 11.183 13.813 ( 3.340 -0.650 6.870) 7.666 13.914 ( 2.417 4.809 -3.431) 6.382 14.123 ( 1.494 2.660 0.435) 3.081 14.299 ( 3.478 4.421 3.312) 6.528 14.435 ( 10.247 0.920 3.596) 10.898 14.536 ( 1.561 -0.405 -4.615) 4.889 14.653 ( 8.326 3.274 -8.749) 12.513 14.841 ( -12.368 -3.186 -0.115) 12.772 14.941 ( -10.377 0.720 -9.324) 13.969 15.008 ( -0.418 -7.920 9.657) 12.496 15.232 ( -1.868 -8.000 -7.688) 11.252 15.515 ( -11.524 4.521 13.371) 18.221 15.690 ( -0.067 7.978 1.247) 8.075 15.853 ( 6.344 6.022 1.673) 8.906 15.976 ( -9.461 -1.110 -9.725) 13.613 16.382 ( -9.361 1.465 3.333) 10.044 16.472 ( -9.172 4.557 -2.580) 10.561 16.730 ( -9.958 -5.894 6.507) 13.275 16.851 ( -11.544 -5.038 -3.665) 13.117 20.071 ( -5.235 -4.054 4.343) 7.918 20.226 ( -1.537 -0.301 -7.004) 7.177 20.706 ( -7.072 -9.662 6.775) 13.757 20.991 ( -4.640 0.703 -13.836) 14.610 21.705 ( -2.994 -10.982 21.581) 24.399 22.129 ( -4.726 3.364 14.028) 15.181 22.296 ( -3.740 -7.885 -21.458) 23.165 22.548 ( -5.038 5.389 -15.793) 17.431 23.454 ( 0.635 1.092 12.333) 12.398 23.512 ( -0.658 -5.766 13.675) 14.855 23.733 ( -3.684 -2.940 -7.319) 8.706 23.810 ( -2.369 -5.797 -7.658) 9.893 ======================= Grid point 136 (53/60) ======================= q-point: ( 0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -4.803 -2.870 3.174) 6.433 2.037 ( -11.544 0.985 -4.729) 12.514 2.485 ( -8.039 -8.269 7.371) 13.687 2.557 ( -0.968 -4.172 6.931) 8.147 2.738 ( 0.197 -12.591 2.876) 12.917 2.912 ( -3.005 -10.289 1.437) 10.815 3.023 ( -2.251 -5.339 12.435) 13.719 3.169 ( -1.835 -2.665 -9.244) 9.794 3.286 ( -3.821 0.343 1.214) 4.024 3.627 ( 2.329 3.813 -20.044) 20.536 3.777 ( -12.175 -17.873 -3.589) 21.922 4.149 ( -5.437 3.589 -22.221) 23.156 4.642 ( -2.890 7.953 8.206) 11.787 4.861 ( 1.414 -4.905 -12.905) 13.878 5.130 ( -3.302 -6.892 9.658) 12.316 5.251 ( -2.184 -13.905 -2.712) 14.334 5.731 ( -5.412 -9.652 7.831) 13.556 5.884 ( -0.808 -10.177 7.115) 12.444 6.137 ( 8.874 -0.175 3.793) 9.652 6.215 ( -4.544 -8.205 -3.827) 10.130 6.299 ( -18.082 -12.228 12.335) 25.073 6.452 ( -0.483 -4.619 8.305) 9.515 6.687 ( -0.005 -2.245 -3.892) 4.493 6.810 ( -2.540 -2.022 7.157) 7.859 6.924 ( -3.613 3.158 -4.800) 6.787 7.132 ( -2.429 4.391 -6.073) 7.879 7.151 ( -8.187 -6.677 13.421) 17.080 7.267 ( 5.962 1.718 0.505) 6.225 7.354 ( 6.436 7.538 -5.608) 11.388 7.422 ( -4.339 4.090 5.840) 8.346 7.625 ( -10.547 1.298 -3.244) 11.111 7.738 ( -1.650 2.694 -13.840) 14.196 7.954 ( 2.818 7.511 5.272) 9.599 8.022 ( 4.301 8.209 -2.325) 9.554 8.187 ( 2.674 -0.598 7.952) 8.411 8.321 ( 5.868 3.763 5.119) 8.648 8.486 ( -7.718 3.428 2.820) 8.904 8.535 ( 2.889 3.594 9.475) 10.538 8.685 ( 1.666 9.959 1.517) 10.211 8.782 ( -0.778 -0.151 -7.338) 7.380 8.858 ( 2.590 6.855 -1.613) 7.504 8.969 ( -2.213 -2.265 0.573) 3.219 8.990 ( 0.372 10.702 7.608) 13.136 9.124 ( 1.369 -0.016 -2.277) 2.657 9.243 ( 4.422 3.650 -6.337) 8.546 9.432 ( -6.469 -1.036 6.057) 8.922 9.578 ( -6.128 -5.816 -13.101) 15.589 9.586 ( -6.671 -2.704 -15.312) 16.920 9.803 ( 4.740 -0.745 5.221) 7.091 10.048 ( -2.839 -4.187 -4.419) 6.717 10.290 ( -3.926 2.756 -3.839) 6.144 10.344 ( -12.182 -11.028 6.273) 17.589 10.374 ( -2.979 -5.840 -11.841) 13.535 10.487 ( -8.745 -10.686 -4.620) 14.560 10.598 ( -8.382 -11.565 1.196) 14.333 10.783 ( -8.269 -5.080 -13.360) 16.513 11.073 ( -5.247 -11.193 5.586) 13.565 11.200 ( 4.207 -5.500 10.056) 12.210 11.218 ( 5.700 -4.471 5.492) 9.091 11.279 ( 2.891 -5.692 -4.651) 7.899 11.534 ( -9.743 -2.915 14.734) 17.902 11.668 ( -2.639 -4.248 7.669) 9.156 11.917 ( -4.027 -8.041 -10.417) 13.762 11.975 ( -5.269 5.358 -17.899) 19.412 12.119 ( -2.050 -9.395 9.032) 13.192 12.250 ( -7.006 -10.509 7.795) 14.842 12.371 ( -3.583 -7.894 -0.743) 8.701 12.478 ( -1.045 -3.161 -11.152) 11.639 12.665 ( 3.379 3.583 12.122) 13.085 12.904 ( -1.007 1.805 -4.177) 4.661 12.949 ( -6.442 -2.080 0.366) 6.779 13.086 ( -5.568 -4.769 -3.409) 8.085 13.339 ( 3.615 2.123 7.735) 8.798 13.501 ( 7.119 10.864 2.404) 13.210 13.582 ( 6.764 7.913 -2.385) 10.680 13.650 ( 6.939 5.819 -4.953) 10.322 13.724 ( -1.121 6.576 14.516) 15.975 13.861 ( 0.784 0.326 -0.090) 0.854 13.956 ( 1.255 3.789 -7.574) 8.561 14.131 ( -1.176 3.934 -8.006) 8.998 14.390 ( 5.041 2.523 8.052) 9.830 14.596 ( -1.615 -1.868 4.447) 5.087 14.618 ( 5.566 -1.638 1.175) 5.920 14.636 ( 2.261 -1.058 -6.753) 7.200 14.774 ( -2.708 4.504 -4.351) 6.823 14.820 ( 0.545 4.113 -5.514) 6.900 15.018 ( 0.350 -5.669 6.161) 8.380 15.128 ( -6.564 -2.980 -0.731) 7.245 15.449 ( 3.133 10.388 3.318) 11.346 15.583 ( -3.317 8.809 -6.503) 11.441 15.914 ( -4.706 7.233 5.646) 10.312 15.987 ( 5.168 8.676 0.605) 10.117 16.207 ( -3.949 3.923 0.914) 5.641 16.277 ( -8.958 6.741 -4.736) 12.170 16.544 ( -9.071 0.807 4.035) 9.961 16.608 ( -12.339 -0.737 -1.290) 12.428 20.028 ( 1.070 -9.050 7.421) 11.752 20.241 ( 2.687 -4.981 -6.488) 8.610 20.544 ( -8.352 -13.241 3.273) 15.994 20.849 ( -9.272 -3.678 -17.726) 20.340 21.679 ( 0.588 -11.134 23.741) 26.229 22.007 ( -7.260 -0.753 19.268) 20.605 22.238 ( -1.643 -7.099 -22.456) 23.609 22.430 ( -6.322 1.214 -15.846) 17.104 23.431 ( -1.629 -1.807 10.560) 10.837 23.487 ( -2.074 -5.392 12.382) 13.663 23.653 ( -3.476 -4.879 -6.917) 9.151 23.735 ( -4.708 -6.116 -7.470) 10.741 ======================= Grid point 137 (54/60) ======================= q-point: ( 0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.999 -11.388 2.235) 13.064 2.016 ( 11.057 -13.557 -0.772) 17.512 2.219 ( -15.646 -12.200 5.710) 20.646 2.345 ( -17.157 -7.873 -1.387) 18.928 2.846 ( 7.016 -13.735 8.475) 17.598 2.955 ( -2.644 -3.525 10.738) 11.607 3.044 ( 12.631 -29.952 11.075) 34.341 3.124 ( -0.065 -7.166 -14.546) 16.216 3.181 ( -5.293 -5.250 1.504) 7.606 3.427 ( -18.921 -28.941 2.111) 34.641 3.742 ( 7.622 -5.008 -35.261) 36.422 3.953 ( -12.198 -7.113 -33.413) 36.274 4.735 ( 11.115 -11.006 12.513) 20.031 4.910 ( 0.844 -14.501 -1.153) 14.571 5.074 ( -3.733 -16.176 2.563) 16.797 5.113 ( -9.420 -15.316 -4.471) 18.529 5.727 ( 5.483 -12.117 20.471) 24.412 5.869 ( -4.947 -13.278 26.629) 30.164 6.030 ( -4.511 -4.133 7.002) 9.298 6.066 ( -5.235 -12.502 6.190) 14.900 6.307 ( 7.516 0.273 1.657) 7.701 6.441 ( -4.367 -1.339 -0.511) 4.596 6.698 ( 4.073 -1.321 -9.441) 10.366 6.803 ( -2.178 -0.886 9.463) 9.750 6.831 ( -0.863 -0.351 -5.242) 5.324 6.958 ( -10.001 -7.263 6.692) 14.055 7.191 ( 1.781 2.731 -1.617) 3.639 7.201 ( -1.620 -7.791 -6.145) 10.054 7.378 ( -1.292 4.089 2.996) 5.231 7.453 ( -4.043 0.864 -10.976) 11.729 7.570 ( 7.541 -0.076 -12.105) 14.262 7.672 ( -3.186 2.916 -15.620) 16.207 8.061 ( 6.404 7.112 4.911) 10.757 8.111 ( 3.498 8.992 4.211) 10.527 8.225 ( -0.794 3.376 4.172) 5.426 8.288 ( -7.859 3.185 -1.447) 8.603 8.501 ( 10.510 4.561 14.369) 18.377 8.636 ( 2.279 -2.104 13.576) 13.926 8.708 ( 0.551 1.263 10.680) 10.769 8.771 ( -2.319 2.895 2.319) 4.374 8.822 ( 0.926 4.083 2.905) 5.096 8.952 ( -6.689 4.803 1.775) 8.423 9.069 ( 9.453 8.684 -15.020) 19.758 9.195 ( 3.189 -9.811 -2.633) 10.647 9.300 ( -2.217 2.038 -1.428) 3.333 9.346 ( -2.539 -2.886 -6.027) 7.148 9.382 ( -3.005 -2.996 -3.337) 5.398 9.488 ( -6.496 -1.160 -6.783) 9.463 9.917 ( 5.007 -3.671 7.671) 9.869 9.988 ( -2.517 -5.397 -4.597) 7.523 10.199 ( -1.969 -8.516 7.456) 11.489 10.249 ( 1.515 -4.773 -3.332) 6.015 10.311 ( -7.657 -3.411 -2.343) 8.703 10.372 ( -4.592 -5.467 -12.664) 14.538 10.428 ( 0.885 -15.193 -13.382) 20.266 10.601 ( -10.557 -10.385 -21.824) 26.374 11.041 ( 4.441 -2.642 13.452) 14.410 11.207 ( -9.150 -1.060 18.712) 20.856 11.302 ( 6.482 1.250 10.634) 12.516 11.377 ( 2.006 1.228 9.341) 9.633 11.524 ( 10.132 -8.272 -0.637) 13.095 11.626 ( 0.337 -6.659 -8.029) 10.436 11.776 ( -9.243 -5.079 -11.694) 15.747 11.796 ( -10.237 -4.295 -19.615) 22.538 12.115 ( 1.061 -4.658 11.156) 12.136 12.160 ( -2.975 -2.685 13.432) 14.017 12.363 ( 4.082 -10.733 5.351) 12.669 12.459 ( -3.045 -8.389 -6.640) 11.123 12.717 ( 2.223 -1.387 7.081) 7.550 12.794 ( -6.127 -4.569 3.650) 8.470 12.907 ( 1.272 0.943 -9.380) 9.512 12.976 ( -5.082 -2.998 -4.621) 7.495 13.456 ( 6.847 7.115 10.831) 14.657 13.561 ( -2.308 7.672 12.418) 14.778 13.729 ( 3.366 6.494 7.237) 10.289 13.739 ( 4.855 7.255 1.343) 8.833 13.797 ( 6.508 8.650 -13.064) 16.966 13.856 ( -0.607 5.113 -4.501) 6.839 13.956 ( 0.031 4.563 -8.751) 9.869 14.050 ( -6.863 8.436 -14.825) 18.386 14.484 ( 4.341 0.966 8.886) 9.937 14.547 ( -1.646 -0.536 8.231) 8.411 14.667 ( 0.259 -0.190 -2.125) 2.149 14.690 ( -0.389 -0.349 -1.522) 1.610 14.812 ( 6.030 1.024 0.109) 6.117 14.844 ( 2.446 4.593 -1.507) 5.418 14.976 ( -3.738 -0.380 -1.648) 4.102 15.004 ( -6.122 2.213 -4.399) 7.857 15.527 ( 5.969 13.025 8.743) 16.785 15.641 ( -0.025 7.827 7.088) 10.559 15.797 ( 0.946 7.013 -4.914) 8.615 15.952 ( -8.427 5.145 -9.278) 13.548 16.221 ( 4.972 11.308 2.086) 12.528 16.238 ( 3.607 8.354 0.481) 9.112 16.367 ( -8.011 6.020 1.692) 10.163 16.382 ( -9.535 6.449 0.913) 11.547 20.108 ( 6.454 -13.128 10.347) 17.918 20.247 ( -5.287 -12.377 10.532) 17.090 20.470 ( 4.351 -10.196 -16.970) 20.270 20.642 ( -10.604 -7.440 -19.422) 23.345 21.732 ( 4.644 -8.908 23.533) 25.587 21.856 ( -7.320 -5.373 21.897) 23.704 22.240 ( 1.910 -5.164 -19.899) 20.647 22.312 ( -5.077 -2.539 -17.241) 18.152 23.414 ( 0.195 -3.851 9.911) 10.635 23.440 ( -2.194 -5.075 10.555) 11.916 23.613 ( -0.198 -6.279 -6.702) 9.186 23.647 ( -3.427 -6.645 -6.795) 10.103 ======================= Grid point 143 (55/60) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 17.166 5.604) 18.057 2.559 ( 0.000 6.641 13.205) 14.781 2.629 ( 0.000 18.147 -11.523) 21.496 2.865 ( 0.000 -2.882 -10.492) 10.881 3.063 ( 0.000 -5.483 8.396) 10.028 3.102 ( 0.000 -0.920 12.451) 12.485 3.272 ( 0.000 9.450 1.739) 9.608 3.303 ( 0.000 -1.835 18.181) 18.273 3.394 ( 0.000 -1.567 -1.486) 2.160 3.438 ( 0.000 1.609 -10.364) 10.488 3.689 ( 0.000 -0.410 -10.838) 10.846 3.802 ( 0.000 -12.747 -18.909) 22.805 5.491 ( 0.000 24.195 7.264) 25.262 5.715 ( 0.000 19.276 -10.352) 21.880 5.728 ( 0.000 4.742 6.832) 8.317 5.871 ( 0.000 2.880 -4.113) 5.022 6.123 ( 0.000 11.584 12.317) 16.909 6.329 ( 0.000 -5.881 13.126) 14.383 6.403 ( 0.000 20.444 -9.826) 22.683 6.645 ( 0.000 -5.095 -12.282) 13.297 6.781 ( 0.000 46.030 15.571) 48.592 6.883 ( 0.000 29.626 12.714) 32.239 7.007 ( 0.000 22.761 2.391) 22.886 7.186 ( 0.000 2.463 12.638) 12.876 7.349 ( 0.000 -13.107 4.869) 13.982 7.371 ( 0.000 24.851 -17.370) 30.320 7.482 ( 0.000 24.089 -6.687) 25.000 7.502 ( 0.000 3.129 -4.762) 5.698 7.687 ( 0.000 -19.491 -7.930) 21.043 7.814 ( 0.000 21.880 -24.125) 32.569 7.872 ( 0.000 -21.835 5.748) 22.579 8.172 ( 0.000 -8.480 -12.659) 15.237 8.254 ( 0.000 9.228 8.266) 12.389 8.342 ( 0.000 1.425 13.268) 13.345 8.435 ( 0.000 5.590 0.334) 5.599 8.534 ( 0.000 -6.394 0.584) 6.420 8.535 ( 0.000 5.987 6.195) 8.616 8.723 ( 0.000 -16.381 -4.225) 16.917 8.807 ( 0.000 6.218 -7.277) 9.572 8.820 ( 0.000 -3.020 -4.553) 5.464 9.015 ( 0.000 9.512 6.840) 11.716 9.203 ( 0.000 0.731 -6.204) 6.246 9.245 ( 0.000 -7.810 -0.852) 7.856 9.304 ( 0.000 -15.717 -4.352) 16.309 9.550 ( 0.000 9.098 15.606) 18.064 9.683 ( 0.000 -3.403 6.873) 7.669 9.730 ( 0.000 3.310 2.792) 4.330 9.827 ( 0.000 -5.076 -0.828) 5.143 10.269 ( 0.000 4.897 9.853) 11.003 10.338 ( 0.000 -3.249 7.298) 7.989 10.352 ( 0.000 -2.146 5.142) 5.572 10.376 ( 0.000 -5.842 1.776) 6.106 10.536 ( 0.000 7.768 -8.259) 11.338 10.806 ( 0.000 -15.933 -3.166) 16.244 10.811 ( 0.000 7.925 -27.177) 28.309 10.969 ( 0.000 -8.796 -14.890) 17.294 11.259 ( 0.000 1.500 13.442) 13.525 11.281 ( 0.000 -0.369 6.399) 6.410 11.379 ( 0.000 6.482 -0.553) 6.506 11.511 ( 0.000 -5.668 -6.002) 8.255 11.630 ( 0.000 -1.696 7.220) 7.416 11.659 ( 0.000 -4.828 11.439) 12.416 11.774 ( 0.000 -3.533 -1.614) 3.885 11.818 ( 0.000 -8.169 -1.369) 8.283 11.999 ( 0.000 5.070 8.156) 9.604 12.179 ( 0.000 -11.249 11.249) 15.908 12.285 ( 0.000 2.912 -13.834) 14.137 12.512 ( 0.000 -17.463 -15.133) 23.108 12.846 ( 0.000 3.762 2.389) 4.456 12.925 ( 0.000 -4.799 2.392) 5.363 12.975 ( 0.000 7.144 -6.500) 9.659 13.044 ( 0.000 0.339 -7.434) 7.442 13.294 ( 0.000 -0.750 3.201) 3.288 13.329 ( 0.000 -5.003 -0.787) 5.064 13.330 ( 0.000 -3.658 5.439) 6.555 13.378 ( 0.000 -9.587 1.188) 9.661 13.551 ( 0.000 1.767 8.297) 8.483 13.628 ( 0.000 -5.247 9.291) 10.670 13.789 ( 0.000 4.071 -12.331) 12.985 13.899 ( 0.000 -5.573 -13.245) 14.370 14.344 ( 0.000 7.578 8.017) 11.031 14.449 ( 0.000 7.939 -1.836) 8.149 14.497 ( 0.000 -6.985 6.472) 9.523 14.582 ( 0.000 -4.262 -1.498) 4.518 15.115 ( 0.000 16.386 2.257) 16.541 15.212 ( 0.000 16.535 -6.419) 17.738 15.472 ( 0.000 -18.383 3.402) 18.695 15.587 ( 0.000 -19.918 -6.823) 21.054 15.723 ( 0.000 16.670 15.312) 22.635 16.059 ( 0.000 16.350 -13.290) 21.070 16.096 ( 0.000 -19.650 14.136) 24.207 16.410 ( 0.000 -17.887 -12.461) 21.799 16.699 ( 0.000 14.707 6.345) 16.017 16.830 ( 0.000 12.771 -4.645) 13.590 16.983 ( 0.000 -12.765 4.476) 13.527 17.071 ( 0.000 -10.794 -2.984) 11.198 20.579 ( 0.000 3.289 8.607) 9.214 20.610 ( 0.000 -0.267 8.202) 8.206 20.841 ( 0.000 1.714 -13.658) 13.765 20.850 ( 0.000 0.675 -11.963) 11.982 22.118 ( 0.000 0.252 18.161) 18.163 22.124 ( 0.000 -0.098 21.933) 21.933 22.548 ( 0.000 5.068 -18.780) 19.452 22.643 ( 0.000 -4.121 -22.885) 23.253 23.260 ( 0.000 12.333 12.378) 17.473 23.488 ( 0.000 12.586 -7.416) 14.608 23.493 ( 0.000 -10.067 13.909) 17.170 23.735 ( 0.000 -11.084 -7.489) 13.377 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.797 12.409 3.175) 12.833 2.543 ( -2.350 18.263 -5.226) 19.141 2.653 ( 0.743 1.711 5.915) 6.202 2.817 ( -2.705 -6.082 -7.232) 9.829 3.063 ( -2.222 6.455 14.226) 15.779 3.150 ( 1.240 -1.627 8.493) 8.736 3.221 ( 0.785 -4.124 11.866) 12.587 3.347 ( 5.943 7.939 -6.704) 11.970 3.439 ( -0.006 2.530 -4.187) 4.892 3.597 ( 11.846 4.126 -2.491) 12.789 3.727 ( 4.995 -2.933 -9.815) 11.397 3.908 ( 8.733 -9.672 -13.129) 18.498 5.371 ( -11.049 26.119 10.120) 30.111 5.596 ( -8.381 15.610 -2.650) 17.915 5.779 ( 0.959 4.583 -4.399) 6.425 5.836 ( -2.957 3.943 -3.264) 5.911 6.068 ( -5.366 11.885 11.070) 17.105 6.322 ( -4.185 9.805 4.530) 11.584 6.370 ( -2.832 9.475 -4.298) 10.783 6.636 ( -1.324 -2.653 -8.191) 8.711 6.743 ( -13.753 16.673 3.438) 21.885 6.751 ( -5.564 24.150 -0.022) 24.782 6.956 ( -0.089 27.292 11.800) 29.734 7.063 ( -9.105 6.435 15.068) 18.745 7.215 ( -6.793 8.306 -2.128) 10.938 7.303 ( -6.317 -3.704 -1.683) 7.514 7.487 ( -3.079 8.349 -3.287) 9.486 7.639 ( 1.104 3.739 -4.036) 5.611 7.659 ( 1.422 3.848 -6.123) 7.370 7.703 ( -7.300 -9.894 4.979) 13.266 7.848 ( -5.904 -0.456 -20.591) 21.426 8.017 ( -11.039 -9.266 -14.559) 20.486 8.145 ( -8.117 4.903 5.671) 11.049 8.329 ( -0.682 9.446 11.174) 14.648 8.395 ( -2.167 4.142 2.236) 5.182 8.447 ( -2.733 -0.031 3.368) 4.338 8.633 ( -0.580 -1.077 9.603) 9.681 8.691 ( 0.873 -3.210 1.385) 3.604 8.855 ( 4.776 3.304 -5.254) 7.832 8.923 ( -3.664 6.276 -1.628) 7.448 8.966 ( 6.849 -2.148 -5.340) 8.947 9.098 ( -3.786 -1.341 -9.975) 10.753 9.243 ( -5.763 -7.225 6.293) 11.180 9.335 ( -1.948 -7.935 -3.291) 8.808 9.530 ( -0.934 5.029 8.098) 9.578 9.639 ( -6.046 0.794 4.156) 7.380 9.679 ( -3.820 -1.664 4.365) 6.035 9.768 ( -2.933 -4.759 -1.675) 5.836 10.218 ( -4.190 5.996 0.974) 7.379 10.273 ( -7.393 -1.081 -0.351) 7.480 10.352 ( 1.779 -1.856 5.235) 5.832 10.389 ( -0.238 -6.197 7.150) 9.464 10.534 ( -1.423 2.034 -9.914) 10.220 10.679 ( -0.212 2.180 -4.904) 5.371 10.935 ( -0.068 -6.452 -14.322) 15.709 10.975 ( 1.524 -6.981 -11.925) 13.902 11.188 ( -2.101 -3.166 10.400) 11.073 11.237 ( -13.986 -4.655 9.776) 17.687 11.341 ( -0.478 1.823 0.438) 1.935 11.476 ( -0.396 0.214 2.332) 2.375 11.571 ( -10.434 -3.245 -2.463) 11.201 11.680 ( 7.142 3.870 -3.199) 8.730 11.757 ( 2.687 -5.216 6.510) 8.764 11.889 ( 1.747 -8.832 -0.525) 9.018 12.042 ( 3.421 2.173 12.237) 12.891 12.239 ( 5.077 -7.141 11.666) 14.590 12.369 ( 5.934 3.405 -13.490) 15.126 12.554 ( 1.470 -13.720 -14.461) 19.988 12.823 ( -3.438 3.175 4.176) 6.272 12.882 ( 0.066 1.063 1.340) 1.712 12.976 ( 1.995 -2.245 -3.359) 4.506 13.089 ( 1.428 1.966 -11.470) 11.725 13.278 ( -0.077 -5.758 4.898) 7.560 13.325 ( 0.288 -3.399 1.789) 3.852 13.345 ( 3.187 -0.436 3.340) 4.637 13.403 ( 1.432 -0.120 -2.017) 2.477 13.595 ( 2.493 -6.190 3.433) 7.504 13.724 ( 6.891 0.756 7.453) 10.179 13.759 ( 1.911 -2.386 -3.967) 5.009 14.050 ( 11.125 0.686 -12.899) 17.048 14.292 ( -2.400 4.108 7.202) 8.632 14.407 ( -3.247 5.861 -2.201) 7.053 14.556 ( -2.671 -1.528 3.217) 4.452 14.613 ( 7.250 -3.110 -0.014) 7.889 15.089 ( -5.843 13.019 0.310) 14.273 15.129 ( -5.013 11.037 -2.577) 12.393 15.419 ( -11.493 -10.018 2.815) 15.504 15.475 ( -15.244 -12.151 0.829) 19.512 15.539 ( -2.960 -1.393 5.152) 6.102 15.846 ( -13.077 7.010 -14.903) 21.029 16.087 ( -4.862 -10.085 16.579) 20.006 16.409 ( -2.510 -7.400 -7.036) 10.515 16.606 ( -7.749 7.451 4.197) 11.540 16.777 ( -3.806 10.459 -6.250) 12.765 16.948 ( -4.489 -8.844 4.640) 10.950 17.028 ( -4.292 -9.363 -2.517) 10.603 20.421 ( -9.478 0.883 3.175) 10.035 20.583 ( -10.541 4.516 -7.476) 13.689 20.734 ( 1.635 -3.152 8.321) 9.047 21.022 ( 5.923 1.815 -10.675) 12.342 21.876 ( -11.555 -1.670 17.231) 20.814 22.298 ( 4.408 2.699 19.301) 19.982 22.386 ( -8.493 -1.456 -22.909) 24.476 22.751 ( 3.716 2.568 -18.855) 19.388 23.305 ( 4.099 7.028 14.660) 16.767 23.476 ( 1.279 0.518 9.136) 9.240 23.597 ( 6.507 1.275 -4.001) 7.744 23.747 ( 0.792 -8.558 -7.391) 11.336 ======================= Grid point 145 (57/60) ======================= q-point: ( 0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 1.050 11.368 0.684) 11.437 2.512 ( -0.308 9.701 -3.500) 10.318 2.617 ( -3.190 -0.652 2.629) 4.185 2.783 ( -1.489 -8.166 -12.196) 14.752 2.968 ( -5.589 7.800 23.975) 25.824 3.180 ( 0.751 5.793 5.997) 8.372 3.244 ( -1.309 1.038 7.960) 8.134 3.385 ( -6.269 6.486 -4.211) 9.954 3.449 ( 1.695 0.235 -5.769) 6.017 3.702 ( -0.403 4.899 -24.339) 24.830 3.844 ( 1.417 -1.826 11.993) 12.214 4.140 ( 13.291 1.203 -11.511) 17.624 5.112 ( -12.756 17.988 13.340) 25.773 5.374 ( -13.187 13.972 -3.730) 19.571 5.741 ( -5.828 -13.327 -3.414) 14.940 5.776 ( -3.965 9.327 -4.698) 11.170 5.935 ( -10.897 14.968 4.335) 19.016 6.052 ( -13.225 14.427 -2.725) 19.760 6.251 ( -13.724 11.084 3.266) 17.941 6.400 ( -14.385 8.789 0.750) 16.874 6.569 ( -8.858 1.729 1.873) 9.217 6.709 ( -4.033 -6.815 -5.224) 9.487 6.762 ( -12.820 -1.959 2.128) 13.142 6.925 ( -8.917 4.263 0.154) 9.885 7.140 ( -4.273 6.715 6.348) 10.181 7.224 ( 1.152 -5.636 5.762) 8.142 7.323 ( -8.494 0.587 0.733) 8.546 7.440 ( -14.279 -7.609 -7.686) 17.912 7.590 ( -0.614 7.220 -4.896) 8.745 7.669 ( -2.148 6.168 0.171) 6.534 7.741 ( -5.491 8.458 9.965) 14.177 7.912 ( 0.308 2.701 -15.472) 15.709 8.082 ( 1.855 -11.549 -4.812) 12.649 8.275 ( -5.292 11.747 16.362) 20.826 8.312 ( -5.086 4.652 2.006) 7.179 8.439 ( -6.500 4.241 7.071) 10.499 8.569 ( 3.305 4.735 8.197) 10.026 8.761 ( 2.109 -7.365 14.522) 16.419 8.787 ( -6.512 8.108 -5.295) 11.670 8.898 ( -0.889 9.652 -5.977) 11.388 8.992 ( -11.053 -4.300 -2.197) 12.061 9.086 ( -1.912 0.061 -2.498) 3.147 9.185 ( 3.912 -1.431 3.553) 5.475 9.209 ( -3.655 -1.954 -4.479) 6.102 9.421 ( -7.210 3.256 -9.337) 12.238 9.555 ( -5.215 -1.960 3.033) 6.344 9.593 ( -0.771 -4.004 -2.778) 4.934 9.755 ( -0.073 -1.158 -7.350) 7.441 10.095 ( -7.913 8.012 0.385) 11.267 10.130 ( -5.459 3.294 -3.723) 7.384 10.369 ( -1.052 -8.433 0.505) 8.514 10.417 ( 3.365 -0.436 13.836) 14.246 10.472 ( -4.835 -6.422 -15.380) 17.354 10.746 ( 1.399 -3.205 5.138) 6.215 10.789 ( -12.762 3.607 -2.870) 13.569 10.956 ( -4.250 -4.235 -1.336) 6.147 11.010 ( -3.255 -11.071 -6.020) 13.016 11.129 ( -9.210 -1.237 9.823) 13.522 11.226 ( -10.201 0.236 -14.750) 17.936 11.306 ( -4.765 -3.650 -7.785) 9.830 11.615 ( 4.929 0.763 19.692) 20.314 11.739 ( -0.197 -6.483 0.129) 6.487 11.774 ( -4.255 -1.903 7.102) 8.495 11.948 ( 5.990 -0.436 -7.247) 9.412 12.114 ( 3.585 -4.125 11.399) 12.641 12.329 ( 2.310 2.558 8.253) 8.943 12.401 ( -3.060 -0.865 -8.297) 8.886 12.513 ( -5.875 -7.505 -10.851) 14.442 12.731 ( -3.523 -1.278 9.023) 9.771 12.934 ( 3.898 1.490 4.138) 5.877 13.069 ( 4.623 1.673 -5.840) 7.634 13.130 ( 1.706 0.001 -15.718) 15.810 13.292 ( 1.290 -2.809 4.035) 5.083 13.352 ( 3.723 1.339 -0.272) 3.966 13.432 ( 4.303 1.159 0.513) 4.486 13.472 ( 6.844 0.417 -1.142) 6.952 13.662 ( 4.401 -5.392 1.018) 7.035 13.754 ( 1.388 -1.463 -6.836) 7.128 13.948 ( 8.774 3.089 15.491) 18.070 14.182 ( 0.545 2.817 3.915) 4.854 14.322 ( 0.826 3.493 -1.375) 3.843 14.384 ( 4.963 4.964 -5.391) 8.851 14.484 ( -1.030 -1.735 3.780) 4.285 14.674 ( -2.588 5.325 -9.763) 11.418 14.934 ( -5.625 -4.434 2.177) 7.486 15.002 ( -13.104 -2.884 3.543) 13.878 15.092 ( -8.252 -3.810 -5.569) 10.659 15.142 ( -15.768 -5.734 -3.212) 17.083 15.613 ( 8.256 -0.344 6.522) 10.527 15.795 ( 6.279 3.260 -8.845) 11.327 15.845 ( -15.846 -2.035 17.754) 23.884 16.252 ( -14.136 -2.543 -15.897) 21.425 16.504 ( -0.431 4.134 12.226) 12.913 16.709 ( -4.517 7.179 -4.782) 9.737 16.785 ( -10.966 -7.082 5.733) 14.258 16.898 ( -8.309 -8.753 -3.820) 12.659 20.220 ( -10.412 0.300 0.947) 10.459 20.377 ( -8.957 2.463 -11.824) 15.036 20.708 ( -5.121 -3.290 15.747) 16.882 21.073 ( -0.620 1.015 -9.956) 10.027 21.673 ( -8.793 -3.331 16.326) 18.840 22.233 ( -5.085 -1.518 -24.961) 25.519 22.321 ( -3.349 1.323 17.924) 18.283 22.750 ( -3.556 3.634 -16.899) 17.647 23.394 ( 3.721 -0.038 16.329) 16.747 23.503 ( 0.580 1.917 10.985) 11.166 23.706 ( 3.316 -1.622 -7.760) 8.593 23.747 ( -1.214 -3.626 -7.156) 8.113 ======================= Grid point 146 (58/60) ======================= q-point: ( 0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -5.808 9.902 5.646) 12.793 2.504 ( -6.408 0.480 3.433) 7.286 2.528 ( -2.786 5.115 -7.154) 9.225 2.735 ( -4.820 -0.249 -15.691) 16.416 2.825 ( -10.540 10.112 14.909) 20.871 3.025 ( -19.054 9.231 -0.509) 21.178 3.122 ( -8.116 2.560 14.501) 16.814 3.230 ( -7.259 -1.210 4.665) 8.713 3.402 ( -5.175 1.079 -1.921) 5.624 3.658 ( -15.033 -10.064 4.559) 18.657 3.713 ( -1.545 1.492 -20.412) 20.524 4.271 ( -5.767 -1.036 -32.982) 33.499 4.918 ( -5.588 2.024 23.206) 23.955 5.160 ( -5.174 5.358 4.072) 8.489 5.419 ( -24.027 17.106 -0.284) 29.495 5.569 ( -20.175 7.972 -8.983) 23.479 5.657 ( -12.608 -3.108 9.855) 16.302 5.894 ( -11.429 1.074 -2.403) 11.728 6.055 ( 0.753 3.952 1.327) 4.236 6.150 ( -9.930 -5.561 -6.774) 13.244 6.310 ( -13.634 -16.711 5.767) 22.325 6.417 ( -9.836 -6.080 19.216) 22.427 6.679 ( 0.122 -2.886 -20.783) 20.983 6.785 ( -6.844 -2.929 -10.571) 12.929 7.111 ( -8.447 1.053 8.768) 12.220 7.156 ( -4.447 -2.802 17.196) 17.982 7.235 ( 4.293 0.956 0.446) 4.421 7.338 ( -3.586 4.771 -1.378) 6.125 7.448 ( -5.763 5.267 6.881) 10.407 7.653 ( 1.340 2.692 -2.384) 3.837 7.824 ( -0.236 8.528 -5.821) 10.328 7.837 ( -3.227 5.463 -17.330) 18.455 8.096 ( -7.484 0.258 25.124) 26.216 8.155 ( 1.578 -2.067 1.566) 3.036 8.219 ( -1.916 -2.904 -0.841) 3.580 8.287 ( -5.285 10.028 6.089) 12.868 8.628 ( -4.997 -1.633 2.142) 5.677 8.652 ( -5.723 3.280 6.574) 9.312 8.687 ( -6.036 -0.006 -6.471) 8.849 8.857 ( -6.526 -1.801 13.384) 14.999 8.903 ( 9.521 1.980 7.531) 12.300 9.042 ( 0.218 11.134 1.621) 11.253 9.131 ( -1.696 -0.746 -11.594) 11.741 9.204 ( -5.199 2.145 -2.324) 6.085 9.428 ( 5.285 8.871 -13.936) 17.345 9.502 ( -0.104 -1.440 -2.340) 2.749 9.590 ( -0.076 -6.161 -5.329) 8.146 9.714 ( -4.439 7.809 -6.985) 11.379 9.901 ( -10.844 8.426 2.777) 14.011 10.063 ( -2.388 -0.537 0.972) 2.633 10.296 ( -9.180 -12.201 -7.316) 16.931 10.344 ( -4.889 -12.412 -4.683) 14.138 10.412 ( -9.185 0.070 -2.958) 9.650 10.485 ( -6.182 -5.816 10.997) 13.892 10.676 ( -18.775 -0.107 -19.085) 26.772 10.840 ( -0.971 0.061 -9.976) 10.023 10.973 ( -3.275 -2.351 9.709) 10.513 11.011 ( 1.833 -4.576 6.794) 8.394 11.135 ( -0.361 -0.376 -5.347) 5.372 11.196 ( -5.348 -3.526 -5.531) 8.463 11.608 ( -4.553 -0.459 17.298) 17.893 11.688 ( -3.134 -4.722 14.817) 15.864 11.750 ( 1.643 -7.453 -6.025) 9.723 12.031 ( 1.807 4.350 -2.182) 5.191 12.170 ( 0.773 -5.304 4.850) 7.229 12.220 ( -13.046 -2.420 -6.790) 14.905 12.311 ( -3.466 -1.162 -8.151) 8.933 12.420 ( -2.772 -6.154 -10.701) 12.651 12.714 ( 0.978 1.786 18.698) 18.809 12.999 ( 0.085 2.258 5.655) 6.090 13.058 ( -4.203 2.075 -1.123) 4.820 13.108 ( -2.725 -2.750 -5.951) 7.099 13.332 ( 2.687 2.912 6.708) 7.791 13.503 ( 8.179 3.797 0.562) 9.035 13.534 ( 7.651 2.361 -3.731) 8.834 13.635 ( 7.378 5.601 -4.279) 10.204 13.770 ( 6.231 -5.063 -3.091) 8.602 13.792 ( 2.432 0.709 -4.745) 5.378 13.992 ( -2.398 3.054 10.465) 11.162 14.173 ( -0.546 1.683 3.176) 3.636 14.403 ( 2.332 4.682 4.430) 6.855 14.453 ( 10.926 0.552 5.274) 12.145 14.523 ( 0.536 0.348 -2.271) 2.359 14.620 ( -4.517 -4.664 -9.330) 11.367 14.836 ( 2.029 2.103 -3.347) 4.443 14.855 ( -1.884 -5.522 8.706) 10.480 14.937 ( -5.486 0.150 -11.271) 12.536 15.046 ( -0.416 -8.430 -6.792) 10.833 15.577 ( -7.196 1.677 15.333) 17.020 15.815 ( 9.025 3.822 8.017) 12.662 15.959 ( -8.036 1.100 -12.493) 14.895 16.007 ( 8.555 4.113 -8.964) 13.057 16.427 ( -11.409 3.209 7.007) 13.768 16.559 ( -9.958 3.613 -3.468) 11.146 16.601 ( -3.963 -5.880 8.269) 10.893 16.738 ( -7.077 -5.020 -2.742) 9.099 20.024 ( -8.571 -0.909 2.683) 9.027 20.239 ( -4.599 1.105 -14.949) 15.679 20.540 ( -10.856 -5.428 17.656) 21.426 20.995 ( -7.416 -0.066 -17.708) 19.198 21.535 ( -4.389 -4.857 23.382) 24.281 22.155 ( -3.347 -1.309 -20.363) 20.678 22.200 ( -7.955 -0.680 13.928) 16.054 22.628 ( -8.155 2.164 -15.665) 17.793 23.428 ( -0.380 -2.221 14.307) 14.483 23.486 ( -2.225 1.458 10.776) 11.100 23.690 ( -4.184 -1.144 -6.975) 8.214 23.714 ( -2.448 -3.062 -7.769) 8.702 ======================= Grid point 147 (59/60) ======================= q-point: ( 0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -17.284 17.481 5.441) 25.178 2.249 ( -16.989 12.014 -3.641) 21.124 2.448 ( -8.074 -7.657 1.061) 11.178 2.481 ( -14.536 11.926 0.237) 18.803 2.523 ( -15.414 -6.065 -0.258) 16.566 2.693 ( -17.038 -1.486 -10.811) 20.233 2.995 ( -8.289 -6.665 22.942) 25.288 3.038 ( -10.866 -13.813 7.460) 19.092 3.158 ( -21.134 -19.361 11.324) 30.818 3.294 ( -10.103 -8.756 -10.434) 16.959 3.748 ( -0.955 5.817 -34.510) 35.010 3.965 ( -14.937 -15.959 -45.724) 50.680 4.843 ( -9.274 11.897 21.534) 26.292 4.899 ( -21.356 10.362 1.230) 23.769 5.128 ( -7.933 0.693 0.974) 8.023 5.163 ( -7.194 -1.943 -0.492) 7.468 5.424 ( -8.845 -13.800 21.221) 26.815 5.755 ( -1.912 -4.139 18.213) 18.775 5.917 ( -6.612 -12.546 -0.710) 14.200 6.140 ( -10.397 -2.056 12.304) 16.239 6.189 ( 7.426 2.422 -1.074) 7.885 6.348 ( 3.400 -5.607 4.778) 8.114 6.634 ( -2.990 -1.786 -4.870) 5.987 6.816 ( 4.896 0.361 -15.965) 16.703 6.894 ( -7.904 -3.777 -0.262) 8.764 6.977 ( -9.957 -5.800 17.161) 20.671 7.185 ( -7.408 2.675 -6.496) 10.209 7.377 ( 0.820 5.184 -1.074) 5.357 7.476 ( 2.089 4.403 1.380) 5.065 7.522 ( -5.503 1.484 5.828) 8.152 7.619 ( -12.796 0.367 -14.452) 19.307 7.837 ( -3.441 3.864 -5.690) 7.691 8.108 ( 2.553 6.191 0.402) 6.708 8.174 ( 5.714 2.247 9.037) 10.926 8.246 ( 1.599 6.729 5.217) 8.663 8.285 ( 6.540 -2.033 3.506) 7.694 8.442 ( -5.969 -5.495 0.571) 8.133 8.621 ( 0.267 1.538 11.282) 11.390 8.697 ( 4.287 -4.980 -9.593) 11.627 8.796 ( 0.050 -3.713 11.613) 12.192 8.895 ( -11.411 1.118 -7.272) 13.577 9.031 ( -3.491 4.525 19.957) 20.759 9.101 ( 1.510 9.934 -6.537) 11.987 9.267 ( 6.629 3.300 -6.427) 9.805 9.409 ( -7.707 3.583 -6.333) 10.599 9.471 ( -4.398 -1.128 2.423) 5.147 9.563 ( -3.501 16.233 -3.556) 16.983 9.604 ( -6.184 -0.198 -12.142) 13.628 9.773 ( 2.569 -0.104 7.526) 7.954 10.013 ( -1.499 -5.351 5.648) 7.923 10.100 ( -9.680 -8.454 -7.106) 14.686 10.216 ( -5.699 -7.542 -8.907) 12.988 10.277 ( -7.637 -7.854 -10.668) 15.291 10.301 ( -7.591 -0.401 -5.192) 9.206 10.404 ( -8.575 -4.502 -11.554) 15.076 10.679 ( -12.708 -5.812 -19.791) 24.228 10.920 ( 0.135 -2.996 12.363) 12.722 11.136 ( 7.141 -1.575 9.527) 12.010 11.167 ( 4.128 -0.365 4.720) 6.281 11.197 ( 4.412 -3.019 -1.322) 5.507 11.518 ( -3.913 2.941 16.457) 17.170 11.620 ( -3.750 -2.344 11.270) 12.107 11.790 ( 0.747 -2.965 -9.955) 10.414 11.928 ( -14.090 -5.096 -5.905) 16.105 12.054 ( 0.944 -3.683 -0.142) 3.805 12.142 ( -1.638 4.510 -6.709) 8.248 12.258 ( -2.481 -4.636 -3.283) 6.199 12.371 ( -2.087 -5.585 -11.770) 13.194 12.722 ( -1.032 1.967 16.743) 16.890 12.835 ( -11.055 -2.670 16.029) 19.654 13.025 ( -2.315 2.728 -11.532) 12.074 13.043 ( -3.822 -0.410 -4.525) 5.937 13.429 ( 7.117 5.217 14.077) 16.614 13.624 ( 4.639 1.681 10.162) 11.296 13.689 ( 5.346 -0.144 2.438) 5.877 13.792 ( 8.981 7.704 -12.652) 17.323 13.832 ( 1.589 3.067 4.429) 5.617 13.878 ( 4.017 1.697 -4.804) 6.488 13.977 ( 1.333 -1.297 -6.143) 6.419 14.176 ( 0.538 0.580 -1.962) 2.115 14.459 ( 3.114 4.045 5.129) 7.236 14.534 ( -0.905 -2.786 2.487) 3.842 14.609 ( 5.049 -0.328 -4.503) 6.773 14.656 ( 6.551 3.179 0.285) 7.287 14.801 ( -1.799 -1.924 5.908) 6.469 14.880 ( -0.181 0.438 -1.168) 1.260 14.933 ( 3.065 -0.434 -2.823) 4.189 15.045 ( 0.486 -4.295 -6.438) 7.755 15.588 ( 6.470 3.281 2.606) 7.708 15.758 ( -4.220 6.911 -8.551) 11.777 15.996 ( -0.087 0.929 7.819) 7.875 16.123 ( -4.528 2.916 -0.450) 5.404 16.274 ( 4.397 2.893 -0.177) 5.267 16.344 ( -7.040 0.851 -4.997) 8.675 16.556 ( -3.700 -0.127 5.302) 6.467 16.607 ( -5.438 0.822 1.441) 5.686 19.901 ( -3.185 -3.224 6.750) 8.130 20.193 ( -0.926 0.606 -11.238) 11.292 20.311 ( -10.204 -8.595 9.653) 16.467 20.785 ( -12.742 -1.975 -23.857) 27.118 21.510 ( 1.807 -4.716 28.127) 28.576 21.990 ( -10.933 -0.584 23.164) 25.621 22.131 ( -0.376 -2.957 -25.320) 25.494 22.445 ( -9.485 0.326 -15.817) 18.446 23.394 ( -2.368 -1.707 10.952) 11.335 23.425 ( -3.431 -0.801 10.037) 10.637 23.596 ( -4.618 -0.515 -6.181) 7.732 23.632 ( -5.004 -3.786 -6.862) 9.298 ======================= Grid point 148 (60/60) ======================= q-point: ( 0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 1.205 7.372 1.761) 7.674 1.964 ( -4.933 11.318 -2.520) 12.601 2.122 ( -17.168 3.116 2.585) 17.638 2.213 ( -24.078 -8.376 -2.395) 25.605 2.400 ( 5.003 -20.262 0.252) 20.872 2.422 ( 1.634 -18.119 -1.764) 18.278 2.637 ( -17.568 -31.747 4.149) 36.520 2.673 ( -20.129 -28.416 0.785) 34.832 3.079 ( 3.301 -0.355 5.255) 6.216 3.160 ( -4.808 -0.220 -1.768) 5.128 3.681 ( -0.377 -1.468 -41.686) 41.714 3.776 ( -8.167 -5.227 -45.333) 46.359 4.618 ( 0.716 -2.493 18.963) 19.139 4.751 ( -6.831 -0.619 16.609) 17.969 4.934 ( -5.393 -4.838 -5.437) 9.059 4.997 ( -8.111 1.753 -2.885) 8.785 5.490 ( 9.978 -7.387 34.433) 36.602 5.683 ( -7.304 -5.898 34.375) 35.634 5.883 ( 2.007 -4.198 4.574) 6.525 5.961 ( -6.170 -2.092 9.231) 11.298 6.320 ( 5.288 0.638 0.685) 5.371 6.389 ( -1.027 -2.669 1.614) 3.284 6.654 ( 4.128 -1.664 3.014) 5.376 6.728 ( -4.002 -3.093 15.960) 16.743 6.845 ( -2.313 -1.091 -2.173) 3.356 6.894 ( -3.610 0.208 -27.398) 27.635 7.108 ( 2.021 -1.302 -13.134) 13.352 7.247 ( -9.584 1.688 -13.151) 16.361 7.408 ( 0.257 -0.006 5.650) 5.656 7.498 ( -4.759 2.046 -7.049) 8.748 7.564 ( 5.554 0.090 -5.067) 7.519 7.701 ( -7.974 -0.424 -10.965) 13.564 8.199 ( 6.798 4.607 7.416) 11.065 8.291 ( 1.367 6.415 9.075) 11.198 8.326 ( 4.753 5.367 7.417) 10.315 8.358 ( -0.349 3.754 2.244) 4.387 8.470 ( 7.353 -5.279 6.229) 10.988 8.618 ( -6.674 0.885 2.610) 7.221 8.711 ( 2.058 -0.550 16.487) 16.624 8.818 ( 6.877 -4.989 -8.170) 11.787 8.870 ( 1.940 -4.433 5.766) 7.527 8.888 ( -3.066 2.853 13.548) 14.181 9.008 ( -9.091 -6.033 -8.726) 13.971 9.134 ( -15.338 1.691 2.366) 15.612 9.383 ( 3.653 5.114 -6.248) 8.862 9.429 ( -1.444 2.784 -7.475) 8.107 9.499 ( -0.481 12.324 -2.775) 12.641 9.532 ( -2.307 1.747 -9.939) 10.352 9.868 ( 2.707 0.309 13.430) 13.704 9.919 ( -5.483 -0.799 6.639) 8.648 10.048 ( 4.966 -6.581 4.909) 9.596 10.145 ( -1.145 -9.654 -12.890) 16.145 10.190 ( -3.415 -5.707 -14.944) 16.358 10.215 ( -0.222 1.164 -15.679) 15.723 10.293 ( -1.620 -3.490 -21.404) 21.748 10.415 ( -12.205 -6.716 -21.057) 25.248 10.994 ( 7.030 -2.224 17.535) 19.022 11.151 ( -6.208 -3.261 21.668) 22.774 11.313 ( 8.677 -0.830 5.524) 10.320 11.337 ( 9.324 -2.895 5.743) 11.327 11.499 ( -3.106 2.202 9.279) 10.030 11.518 ( -3.613 -2.651 -1.764) 4.816 11.656 ( -6.663 -1.932 -7.191) 9.992 11.747 ( -7.772 -0.475 -7.965) 11.139 12.097 ( 4.795 -0.982 -0.633) 4.935 12.187 ( 1.129 4.404 -7.140) 8.465 12.205 ( 0.347 -4.112 5.657) 7.002 12.309 ( -4.833 -6.401 -7.802) 11.189 12.664 ( -1.635 -2.406 15.732) 15.999 12.701 ( -3.375 -3.030 9.438) 10.472 12.959 ( -2.341 2.144 -14.964) 15.297 12.970 ( -3.029 0.936 -9.667) 10.174 13.586 ( 7.229 4.567 17.074) 19.096 13.671 ( -0.705 2.643 15.163) 15.408 13.769 ( 3.314 -0.191 5.319) 6.269 13.823 ( -1.617 2.391 6.743) 7.335 13.919 ( 3.126 1.507 -6.776) 7.613 13.958 ( 0.008 2.809 -8.853) 9.288 14.044 ( 7.464 4.148 -15.589) 17.774 14.162 ( -3.055 2.288 -11.236) 11.866 14.518 ( 2.651 1.925 8.655) 9.254 14.541 ( 0.759 -0.210 9.068) 9.102 14.667 ( 0.584 -0.015 -0.570) 0.816 14.699 ( -1.924 0.845 -0.496) 2.159 14.812 ( 4.056 0.171 4.141) 5.799 14.880 ( -1.512 -0.859 3.397) 3.816 14.995 ( 3.323 1.917 -9.408) 10.160 15.045 ( -1.209 0.894 -9.974) 10.087 15.738 ( 5.611 5.480 1.099) 7.919 15.761 ( 4.452 5.065 0.449) 6.758 15.878 ( -5.355 1.523 2.221) 5.994 15.969 ( -9.355 -2.054 -3.281) 10.124 16.353 ( 4.534 2.907 2.504) 5.940 16.408 ( 6.322 5.720 -1.863) 8.727 16.452 ( -5.340 2.388 4.774) 7.551 16.517 ( -4.649 4.570 -0.295) 6.526 19.908 ( 3.952 -5.589 11.673) 13.532 20.049 ( -9.563 -5.829 15.898) 19.447 20.316 ( 7.463 -4.255 -23.222) 24.761 20.523 ( -12.504 -3.472 -24.780) 27.972 21.599 ( 6.831 -3.678 27.429) 28.505 21.773 ( -10.221 -2.333 25.335) 27.418 22.160 ( 3.445 -2.239 -21.404) 21.795 22.271 ( -7.434 -1.210 -17.798) 19.326 23.357 ( -0.911 -1.665 8.998) 9.196 23.367 ( -1.939 -1.850 8.999) 9.390 23.530 ( -1.482 -1.734 -5.643) 6.086 23.545 ( -2.945 -3.147 -5.886) 7.295 =================== 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 3/32076 10.0 117.059 180.744 83.194 0.000 0.000 0.000 3/32076 20.0 25.996 29.289 15.325 0.000 0.000 0.000 3/32076 30.0 12.207 14.879 7.929 0.000 0.000 0.000 3/32076 40.0 7.320 9.275 5.478 0.000 0.000 0.000 3/32076 50.0 5.086 6.604 4.189 0.000 0.000 0.000 3/32076 60.0 3.895 5.146 3.404 0.000 0.000 0.000 3/32076 70.0 3.178 4.252 2.881 0.000 0.000 0.000 3/32076 80.0 2.704 3.648 2.508 0.000 0.000 0.000 3/32076 90.0 2.365 3.208 2.228 0.000 0.000 0.000 3/32076 100.0 2.108 2.869 2.008 0.000 0.000 0.000 3/32076 110.0 1.907 2.599 1.831 0.000 0.000 0.000 3/32076 120.0 1.743 2.376 1.684 0.000 0.000 0.000 3/32076 130.0 1.606 2.189 1.560 0.000 0.000 0.000 3/32076 140.0 1.491 2.030 1.454 0.000 0.000 0.000 3/32076 150.0 1.392 1.892 1.362 0.000 0.000 0.000 3/32076 160.0 1.306 1.772 1.282 0.000 0.000 0.000 3/32076 170.0 1.230 1.666 1.211 0.000 0.000 0.000 3/32076 180.0 1.163 1.573 1.148 0.000 0.000 -0.000 3/32076 190.0 1.103 1.489 1.092 0.000 0.000 -0.000 3/32076 200.0 1.049 1.414 1.041 0.000 0.000 -0.000 3/32076 210.0 1.001 1.346 0.995 0.000 0.000 -0.000 3/32076 220.0 0.957 1.284 0.953 0.000 0.000 -0.000 3/32076 230.0 0.917 1.228 0.915 0.000 0.000 -0.000 3/32076 240.0 0.880 1.177 0.880 0.000 0.000 -0.000 3/32076 250.0 0.846 1.129 0.847 0.000 0.000 -0.000 3/32076 260.0 0.814 1.086 0.817 0.000 0.000 -0.000 3/32076 270.0 0.785 1.045 0.790 0.000 0.000 -0.000 3/32076 280.0 0.758 1.008 0.764 0.000 0.000 -0.000 3/32076 290.0 0.733 0.973 0.740 0.000 0.000 -0.000 3/32076 300.0 0.709 0.941 0.717 0.000 0.000 -0.000 3/32076 310.0 0.687 0.911 0.696 0.000 0.000 -0.000 3/32076 320.0 0.666 0.882 0.676 0.000 0.000 -0.000 3/32076 330.0 0.647 0.855 0.657 0.000 0.000 -0.000 3/32076 340.0 0.628 0.830 0.639 0.000 0.000 -0.000 3/32076 350.0 0.611 0.807 0.622 0.000 0.000 -0.000 3/32076 360.0 0.595 0.784 0.606 0.000 0.000 -0.000 3/32076 370.0 0.579 0.763 0.591 0.000 0.000 -0.000 3/32076 380.0 0.564 0.743 0.577 0.000 0.000 -0.000 3/32076 390.0 0.550 0.724 0.563 0.000 0.000 -0.000 3/32076 400.0 0.537 0.706 0.550 0.000 0.000 -0.000 3/32076 410.0 0.524 0.689 0.538 0.000 0.000 -0.000 3/32076 420.0 0.512 0.673 0.526 0.000 0.000 -0.000 3/32076 430.0 0.500 0.657 0.514 0.000 0.000 -0.000 3/32076 440.0 0.489 0.642 0.503 0.000 0.000 -0.000 3/32076 450.0 0.479 0.628 0.493 0.000 0.000 -0.000 3/32076 460.0 0.469 0.614 0.483 0.000 0.000 -0.000 3/32076 470.0 0.459 0.601 0.473 0.000 0.000 -0.000 3/32076 480.0 0.450 0.589 0.464 0.000 0.000 -0.000 3/32076 490.0 0.441 0.577 0.455 0.000 0.000 -0.000 3/32076 500.0 0.432 0.565 0.447 0.000 0.000 -0.000 3/32076 510.0 0.424 0.554 0.438 0.000 0.000 -0.000 3/32076 520.0 0.416 0.544 0.430 0.000 0.000 -0.000 3/32076 530.0 0.408 0.533 0.423 0.000 0.000 -0.000 3/32076 540.0 0.401 0.524 0.415 0.000 0.000 -0.000 3/32076 550.0 0.394 0.514 0.408 0.000 0.000 -0.000 3/32076 560.0 0.387 0.505 0.401 0.000 0.000 -0.000 3/32076 570.0 0.380 0.496 0.395 0.000 0.000 -0.000 3/32076 580.0 0.374 0.488 0.388 0.000 0.000 -0.000 3/32076 590.0 0.367 0.479 0.382 0.000 0.000 -0.000 3/32076 600.0 0.361 0.471 0.376 0.000 0.000 -0.000 3/32076 610.0 0.355 0.464 0.370 0.000 0.000 -0.000 3/32076 620.0 0.350 0.456 0.364 0.000 0.000 -0.000 3/32076 630.0 0.344 0.449 0.359 0.000 0.000 -0.000 3/32076 640.0 0.339 0.442 0.353 0.000 0.000 -0.000 3/32076 650.0 0.334 0.435 0.348 0.000 0.000 -0.000 3/32076 660.0 0.329 0.429 0.343 0.000 0.000 -0.000 3/32076 670.0 0.324 0.422 0.338 0.000 0.000 -0.000 3/32076 680.0 0.319 0.416 0.333 0.000 0.000 -0.000 3/32076 690.0 0.315 0.410 0.329 0.000 0.000 -0.000 3/32076 700.0 0.310 0.404 0.324 0.000 0.000 -0.000 3/32076 710.0 0.306 0.399 0.320 0.000 0.000 -0.000 3/32076 720.0 0.302 0.393 0.315 0.000 0.000 -0.000 3/32076 730.0 0.298 0.388 0.311 0.000 0.000 -0.000 3/32076 740.0 0.294 0.383 0.307 0.000 0.000 -0.000 3/32076 750.0 0.290 0.377 0.303 0.000 0.000 -0.000 3/32076 760.0 0.286 0.373 0.299 0.000 0.000 -0.000 3/32076 770.0 0.283 0.368 0.296 0.000 0.000 -0.000 3/32076 780.0 0.279 0.363 0.292 0.000 0.000 -0.000 3/32076 790.0 0.275 0.358 0.288 0.000 0.000 -0.000 3/32076 800.0 0.272 0.354 0.285 0.000 0.000 -0.000 3/32076 810.0 0.269 0.350 0.281 0.000 0.000 -0.000 3/32076 820.0 0.266 0.345 0.278 0.000 0.000 -0.000 3/32076 830.0 0.262 0.341 0.275 0.000 0.000 -0.000 3/32076 840.0 0.259 0.337 0.272 0.000 0.000 -0.000 3/32076 850.0 0.256 0.333 0.269 0.000 0.000 -0.000 3/32076 860.0 0.253 0.329 0.266 0.000 0.000 -0.000 3/32076 870.0 0.250 0.326 0.263 0.000 0.000 -0.000 3/32076 880.0 0.248 0.322 0.260 0.000 0.000 -0.000 3/32076 890.0 0.245 0.318 0.257 0.000 0.000 -0.000 3/32076 900.0 0.242 0.315 0.254 0.000 0.000 -0.000 3/32076 910.0 0.239 0.311 0.251 0.000 0.000 -0.000 3/32076 920.0 0.237 0.308 0.249 0.000 0.000 -0.000 3/32076 930.0 0.234 0.305 0.246 0.000 0.000 -0.000 3/32076 940.0 0.232 0.301 0.243 0.000 0.000 -0.000 3/32076 950.0 0.229 0.298 0.241 0.000 0.000 -0.000 3/32076 960.0 0.227 0.295 0.238 0.000 0.000 -0.000 3/32076 970.0 0.225 0.292 0.236 0.000 0.000 -0.000 3/32076 980.0 0.223 0.289 0.234 0.000 0.000 -0.000 3/32076 990.0 0.220 0.286 0.231 0.000 0.000 -0.000 3/32076 1000.0 0.218 0.283 0.229 0.000 0.000 -0.000 3/32076 Thermal conductivity related properties were written into "kappa-m1193.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:22:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|