----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:00:48]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.830101310002823 0.000000000000000 0.000000000000000 b 0.000000000000000 5.431235950000000 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): *1 O 0.74993205401044 0.31724990185320 0.50367532657802 15.999 2 O 0.25006794598956 0.81724990185320 0.99632467342198 15.999 3 O 0.25006794598956 0.68275009814680 0.49632467342198 15.999 4 O 0.74993205401044 0.18275009814681 0.00367532657802 15.999 *5 O 0.98111071414265 0.24359762702680 0.36690799028372 15.999 6 O 0.01888928585735 0.74359762702680 0.13309200971628 15.999 7 O 0.01888928585735 0.75640237297320 0.63309200971628 15.999 8 O 0.98111071414265 0.25640237297320 0.86690799028372 15.999 *9 O 0.38163742531520 0.18906153030923 0.42980952615932 15.999 10 O 0.61836257468480 0.68906153030923 0.07019047384068 15.999 11 O 0.61836257468480 0.81093846969077 0.57019047384068 15.999 12 O 0.38163742531520 0.31093846969077 0.92980952615932 15.999 *13 O 0.55115517499503 0.33130684695333 0.67341542086465 15.999 14 O 0.44884482500497 0.83130684695333 0.82658457913535 15.999 15 O 0.44884482500497 0.66869315304667 0.32658457913535 15.999 16 O 0.55115517499503 0.16869315304667 0.17341542086465 15.999 *17 O 0.12109287331140 0.27923422711868 0.64444294459395 15.999 18 O 0.87890712668860 0.77923422711868 0.85555705540605 15.999 19 O 0.87890712668860 0.72076577288132 0.35555705540605 15.999 20 O 0.12109287331140 0.22076577288132 0.14444294459395 15.999 *21 Ca 0.84798009837837 0.05880443807480 0.68209127371824 40.078 22 Ca 0.15201990162163 0.55880443807480 0.81790872628176 40.078 23 Ca 0.15201990162163 0.94119556192520 0.31790872628176 40.078 24 Ca 0.84798009837837 0.44119556192520 0.18209127371824 40.078 *25 Ca 0.65256284429810 0.50717669779352 0.86235890133051 40.078 26 Ca 0.34743715570190 0.00717669779352 0.63764109866949 40.078 27 Ca 0.34743715570190 0.49282330220648 0.13764109866949 40.078 28 Ca 0.65256284429810 0.99282330220648 0.36235890133051 40.078 *29 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 *31 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.830101310002823 0.000000000000000 0.000000000000000 b 0.000000000000000 5.431235950000000 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): *1 O 0.74993205401044 0.31724990185320 0.50367532657802 15.999 > 1 2 O 0.25006794598956 0.81724990185320 0.99632467342198 15.999 > 2 3 O 0.25006794598956 0.68275009814680 0.49632467342198 15.999 > 3 4 O 0.74993205401044 0.18275009814681 0.00367532657802 15.999 > 4 *5 O 0.98111071414265 0.24359762702680 0.36690799028372 15.999 > 5 6 O 0.01888928585735 0.74359762702680 0.13309200971628 15.999 > 6 7 O 0.01888928585735 0.75640237297320 0.63309200971628 15.999 > 7 8 O 0.98111071414265 0.25640237297320 0.86690799028372 15.999 > 8 *9 O 0.38163742531520 0.18906153030923 0.42980952615932 15.999 > 9 10 O 0.61836257468480 0.68906153030923 0.07019047384068 15.999 > 10 11 O 0.61836257468480 0.81093846969077 0.57019047384068 15.999 > 11 12 O 0.38163742531520 0.31093846969077 0.92980952615932 15.999 > 12 *13 O 0.55115517499503 0.33130684695333 0.67341542086465 15.999 > 13 14 O 0.44884482500497 0.83130684695333 0.82658457913535 15.999 > 14 15 O 0.44884482500497 0.66869315304667 0.32658457913535 15.999 > 15 16 O 0.55115517499503 0.16869315304667 0.17341542086465 15.999 > 16 *17 O 0.12109287331140 0.27923422711868 0.64444294459395 15.999 > 17 18 O 0.87890712668860 0.77923422711868 0.85555705540605 15.999 > 18 19 O 0.87890712668860 0.72076577288132 0.35555705540605 15.999 > 19 20 O 0.12109287331140 0.22076577288132 0.14444294459395 15.999 > 20 *21 Ca 0.84798009837837 0.05880443807480 0.68209127371824 40.078 > 21 22 Ca 0.15201990162163 0.55880443807480 0.81790872628176 40.078 > 22 23 Ca 0.15201990162163 0.94119556192520 0.31790872628176 40.078 > 23 24 Ca 0.84798009837837 0.44119556192520 0.18209127371824 40.078 > 24 *25 Ca 0.65256284429810 0.50717669779352 0.86235890133051 40.078 > 25 26 Ca 0.34743715570190 0.00717669779352 0.63764109866949 40.078 > 26 27 Ca 0.34743715570190 0.49282330220648 0.13764109866949 40.078 > 27 28 Ca 0.65256284429810 0.99282330220648 0.36235890133051 40.078 > 28 *29 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 29 30 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 30 *31 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 31 32 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.660202620005647 0.000000000000000 0.000000000000000 b 0.000000000000000 10.862471899999999 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): *1 O 0.37496602700522 0.15862495092660 0.50367532657802 15.999 > 1 2 O 0.87496602700522 0.15862495092660 0.50367532657802 15.999 > 1 3 O 0.37496602700522 0.65862495092660 0.50367532657802 15.999 > 1 4 O 0.87496602700522 0.65862495092660 0.50367532657802 15.999 > 1 5 O 0.12503397299478 0.40862495092660 0.99632467342198 15.999 > 2 6 O 0.62503397299478 0.40862495092660 0.99632467342198 15.999 > 2 7 O 0.12503397299478 0.90862495092660 0.99632467342198 15.999 > 2 8 O 0.62503397299478 0.90862495092660 0.99632467342198 15.999 > 2 9 O 0.12503397299478 0.34137504907340 0.49632467342198 15.999 > 3 10 O 0.62503397299478 0.34137504907340 0.49632467342198 15.999 > 3 11 O 0.12503397299478 0.84137504907340 0.49632467342198 15.999 > 3 12 O 0.62503397299478 0.84137504907340 0.49632467342198 15.999 > 3 13 O 0.37496602700522 0.09137504907340 0.00367532657802 15.999 > 4 14 O 0.87496602700522 0.09137504907340 0.00367532657802 15.999 > 4 15 O 0.37496602700522 0.59137504907340 0.00367532657802 15.999 > 4 16 O 0.87496602700522 0.59137504907340 0.00367532657802 15.999 > 4 *17 O 0.49055535707132 0.12179881351340 0.36690799028372 15.999 > 5 18 O 0.99055535707132 0.12179881351340 0.36690799028372 15.999 > 5 19 O 0.49055535707132 0.62179881351340 0.36690799028372 15.999 > 5 20 O 0.99055535707132 0.62179881351340 0.36690799028372 15.999 > 5 21 O 0.00944464292868 0.37179881351340 0.13309200971628 15.999 > 6 22 O 0.50944464292868 0.37179881351340 0.13309200971628 15.999 > 6 23 O 0.00944464292868 0.87179881351340 0.13309200971628 15.999 > 6 24 O 0.50944464292868 0.87179881351340 0.13309200971628 15.999 > 6 25 O 0.00944464292868 0.37820118648660 0.63309200971628 15.999 > 7 26 O 0.50944464292868 0.37820118648660 0.63309200971628 15.999 > 7 27 O 0.00944464292868 0.87820118648660 0.63309200971628 15.999 > 7 28 O 0.50944464292868 0.87820118648660 0.63309200971628 15.999 > 7 29 O 0.49055535707132 0.12820118648660 0.86690799028372 15.999 > 8 30 O 0.99055535707132 0.12820118648660 0.86690799028372 15.999 > 8 31 O 0.49055535707132 0.62820118648660 0.86690799028372 15.999 > 8 32 O 0.99055535707132 0.62820118648660 0.86690799028372 15.999 > 8 *33 O 0.19081871265760 0.09453076515462 0.42980952615932 15.999 > 9 34 O 0.69081871265760 0.09453076515462 0.42980952615932 15.999 > 9 35 O 0.19081871265760 0.59453076515462 0.42980952615932 15.999 > 9 36 O 0.69081871265760 0.59453076515462 0.42980952615932 15.999 > 9 37 O 0.30918128734240 0.34453076515462 0.07019047384068 15.999 > 10 38 O 0.80918128734240 0.34453076515462 0.07019047384068 15.999 > 10 39 O 0.30918128734240 0.84453076515462 0.07019047384068 15.999 > 10 40 O 0.80918128734240 0.84453076515462 0.07019047384068 15.999 > 10 41 O 0.30918128734240 0.40546923484538 0.57019047384068 15.999 > 11 42 O 0.80918128734240 0.40546923484538 0.57019047384068 15.999 > 11 43 O 0.30918128734240 0.90546923484538 0.57019047384068 15.999 > 11 44 O 0.80918128734240 0.90546923484538 0.57019047384068 15.999 > 11 45 O 0.19081871265760 0.15546923484538 0.92980952615932 15.999 > 12 46 O 0.69081871265760 0.15546923484538 0.92980952615932 15.999 > 12 47 O 0.19081871265760 0.65546923484538 0.92980952615932 15.999 > 12 48 O 0.69081871265760 0.65546923484538 0.92980952615932 15.999 > 12 *49 O 0.27557758749751 0.16565342347667 0.67341542086465 15.999 > 13 50 O 0.77557758749751 0.16565342347667 0.67341542086465 15.999 > 13 51 O 0.27557758749751 0.66565342347667 0.67341542086465 15.999 > 13 52 O 0.77557758749751 0.66565342347667 0.67341542086465 15.999 > 13 53 O 0.22442241250249 0.41565342347667 0.82658457913535 15.999 > 14 54 O 0.72442241250249 0.41565342347667 0.82658457913535 15.999 > 14 55 O 0.22442241250249 0.91565342347667 0.82658457913535 15.999 > 14 56 O 0.72442241250249 0.91565342347667 0.82658457913535 15.999 > 14 57 O 0.22442241250249 0.33434657652333 0.32658457913535 15.999 > 15 58 O 0.72442241250249 0.33434657652333 0.32658457913535 15.999 > 15 59 O 0.22442241250249 0.83434657652333 0.32658457913535 15.999 > 15 60 O 0.72442241250249 0.83434657652333 0.32658457913535 15.999 > 15 61 O 0.27557758749751 0.08434657652333 0.17341542086465 15.999 > 16 62 O 0.77557758749751 0.08434657652333 0.17341542086465 15.999 > 16 63 O 0.27557758749751 0.58434657652333 0.17341542086465 15.999 > 16 64 O 0.77557758749751 0.58434657652333 0.17341542086465 15.999 > 16 *65 O 0.06054643665570 0.13961711355934 0.64444294459395 15.999 > 17 66 O 0.56054643665570 0.13961711355934 0.64444294459395 15.999 > 17 67 O 0.06054643665570 0.63961711355934 0.64444294459395 15.999 > 17 68 O 0.56054643665570 0.63961711355934 0.64444294459395 15.999 > 17 69 O 0.43945356334430 0.38961711355934 0.85555705540605 15.999 > 18 70 O 0.93945356334430 0.38961711355934 0.85555705540605 15.999 > 18 71 O 0.43945356334430 0.88961711355934 0.85555705540605 15.999 > 18 72 O 0.93945356334430 0.88961711355934 0.85555705540605 15.999 > 18 73 O 0.43945356334430 0.36038288644066 0.35555705540605 15.999 > 19 74 O 0.93945356334430 0.36038288644066 0.35555705540605 15.999 > 19 75 O 0.43945356334430 0.86038288644066 0.35555705540605 15.999 > 19 76 O 0.93945356334430 0.86038288644066 0.35555705540605 15.999 > 19 77 O 0.06054643665570 0.11038288644066 0.14444294459395 15.999 > 20 78 O 0.56054643665570 0.11038288644066 0.14444294459395 15.999 > 20 79 O 0.06054643665570 0.61038288644066 0.14444294459395 15.999 > 20 80 O 0.56054643665570 0.61038288644066 0.14444294459395 15.999 > 20 *81 Ca 0.42399004918918 0.02940221903740 0.68209127371824 40.078 > 21 82 Ca 0.92399004918918 0.02940221903740 0.68209127371824 40.078 > 21 83 Ca 0.42399004918918 0.52940221903740 0.68209127371824 40.078 > 21 84 Ca 0.92399004918918 0.52940221903740 0.68209127371824 40.078 > 21 85 Ca 0.07600995081082 0.27940221903740 0.81790872628176 40.078 > 22 86 Ca 0.57600995081082 0.27940221903740 0.81790872628176 40.078 > 22 87 Ca 0.07600995081082 0.77940221903740 0.81790872628176 40.078 > 22 88 Ca 0.57600995081082 0.77940221903740 0.81790872628176 40.078 > 22 89 Ca 0.07600995081082 0.47059778096260 0.31790872628176 40.078 > 23 90 Ca 0.57600995081082 0.47059778096260 0.31790872628176 40.078 > 23 91 Ca 0.07600995081082 0.97059778096260 0.31790872628176 40.078 > 23 92 Ca 0.57600995081082 0.97059778096260 0.31790872628176 40.078 > 23 93 Ca 0.42399004918918 0.22059778096260 0.18209127371824 40.078 > 24 94 Ca 0.92399004918918 0.22059778096260 0.18209127371824 40.078 > 24 95 Ca 0.42399004918918 0.72059778096260 0.18209127371824 40.078 > 24 96 Ca 0.92399004918918 0.72059778096260 0.18209127371824 40.078 > 24 *97 Ca 0.32628142214905 0.25358834889676 0.86235890133051 40.078 > 25 98 Ca 0.82628142214905 0.25358834889676 0.86235890133051 40.078 > 25 99 Ca 0.32628142214905 0.75358834889676 0.86235890133051 40.078 > 25 100 Ca 0.82628142214905 0.75358834889676 0.86235890133051 40.078 > 25 101 Ca 0.17371857785095 0.00358834889676 0.63764109866949 40.078 > 26 102 Ca 0.67371857785095 0.00358834889676 0.63764109866949 40.078 > 26 103 Ca 0.17371857785095 0.50358834889676 0.63764109866949 40.078 > 26 104 Ca 0.67371857785095 0.50358834889676 0.63764109866949 40.078 > 26 105 Ca 0.17371857785095 0.24641165110324 0.13764109866949 40.078 > 27 106 Ca 0.67371857785095 0.24641165110324 0.13764109866949 40.078 > 27 107 Ca 0.17371857785095 0.74641165110324 0.13764109866949 40.078 > 27 108 Ca 0.67371857785095 0.74641165110324 0.13764109866949 40.078 > 27 109 Ca 0.32628142214905 0.49641165110324 0.36235890133051 40.078 > 28 110 Ca 0.82628142214905 0.49641165110324 0.36235890133051 40.078 > 28 111 Ca 0.32628142214905 0.99641165110324 0.36235890133051 40.078 > 28 112 Ca 0.82628142214905 0.99641165110324 0.36235890133051 40.078 > 28 *113 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 29 114 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 29 115 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 29 116 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 29 117 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 30 118 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 30 119 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 30 120 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 30 *121 U 0.25000000000000 0.00000000000000 0.00000000000000 238.029 > 31 122 U 0.75000000000000 0.00000000000000 0.00000000000000 238.029 > 31 123 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 31 124 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 31 125 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 32 126 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 32 127 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 32 128 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2513156 0.0000000 0.0338638 0.0000000 4.2248587 0.0000000 0.0338176 0.0000000 4.2144063 -------------------------- Born effective charges -------------------------- 1 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 2 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 3 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 4 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 5 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 6 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 7 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 8 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 9 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 10 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 11 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 12 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 13 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 14 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 15 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 16 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 17 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 18 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 19 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 20 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 21 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 22 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 23 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 24 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 25 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 26 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 27 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 28 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 29 U 5.5320494 -0.7951231 0.0997865 -0.0469681 5.1221008 0.1354337 0.1652442 -0.2972612 5.8548650 30 U 5.5320494 0.7951231 0.0997865 0.0469681 5.1221008 -0.1354337 0.1652442 0.2972612 5.8548650 31 U 5.6335587 0.3854533 0.3063919 -0.2626318 5.8543503 0.1887781 0.1850654 0.3115212 5.1566771 32 U 5.6335587 -0.3854533 0.3063919 0.2626318 5.8543503 -0.1887781 0.1850654 -0.3115212 5.1566771 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.593 Solver_block: 200 / 960 - Time: 1.388 Solver_block: 300 / 960 - Time: 1.341 Solver_block: 400 / 960 - Time: 1.872 Solver_block: 500 / 960 - Time: 1.432 Solver_block: 600 / 960 - Time: 1.328 Solver_block: 700 / 960 - Time: 1.384 Solver_block: 800 / 960 - Time: 1.438 Solver_block: 900 / 960 - Time: 1.419 Solver_block: 960 / 960 - Time: 0.877 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.719 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:02:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:03]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.830101310002823 0.000000000000000 0.000000000000000 b 0.000000000000000 5.431235950000000 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): 1 O 0.74993205401044 0.31724990185320 0.50367532657802 15.999 2 O 0.25006794598956 0.81724990185320 0.99632467342198 15.999 3 O 0.25006794598956 0.68275009814680 0.49632467342198 15.999 4 O 0.74993205401044 0.18275009814681 0.00367532657802 15.999 5 O 0.98111071414265 0.24359762702680 0.36690799028372 15.999 6 O 0.01888928585735 0.74359762702680 0.13309200971628 15.999 7 O 0.01888928585735 0.75640237297320 0.63309200971628 15.999 8 O 0.98111071414265 0.25640237297320 0.86690799028372 15.999 9 O 0.38163742531520 0.18906153030923 0.42980952615932 15.999 10 O 0.61836257468480 0.68906153030923 0.07019047384068 15.999 11 O 0.61836257468480 0.81093846969077 0.57019047384068 15.999 12 O 0.38163742531520 0.31093846969077 0.92980952615932 15.999 13 O 0.55115517499503 0.33130684695333 0.67341542086465 15.999 14 O 0.44884482500497 0.83130684695333 0.82658457913535 15.999 15 O 0.44884482500497 0.66869315304667 0.32658457913535 15.999 16 O 0.55115517499503 0.16869315304667 0.17341542086465 15.999 17 O 0.12109287331140 0.27923422711868 0.64444294459395 15.999 18 O 0.87890712668860 0.77923422711868 0.85555705540605 15.999 19 O 0.87890712668860 0.72076577288132 0.35555705540605 15.999 20 O 0.12109287331140 0.22076577288132 0.14444294459395 15.999 21 Ca 0.84798009837837 0.05880443807480 0.68209127371824 40.078 22 Ca 0.15201990162163 0.55880443807480 0.81790872628176 40.078 23 Ca 0.15201990162163 0.94119556192520 0.31790872628176 40.078 24 Ca 0.84798009837837 0.44119556192520 0.18209127371824 40.078 25 Ca 0.65256284429810 0.50717669779352 0.86235890133051 40.078 26 Ca 0.34743715570190 0.00717669779352 0.63764109866949 40.078 27 Ca 0.34743715570190 0.49282330220648 0.13764109866949 40.078 28 Ca 0.65256284429810 0.99282330220648 0.36235890133051 40.078 29 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 31 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.660202620005647 0.000000000000000 0.000000000000000 b 0.000000000000000 10.862471899999999 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): 1 O 0.37496602700522 0.15862495092660 0.50367532657802 15.999 > 1 2 O 0.87496602700522 0.15862495092660 0.50367532657802 15.999 > 1 3 O 0.37496602700522 0.65862495092660 0.50367532657802 15.999 > 1 4 O 0.87496602700522 0.65862495092660 0.50367532657802 15.999 > 1 5 O 0.12503397299478 0.40862495092660 0.99632467342198 15.999 > 5 6 O 0.62503397299478 0.40862495092660 0.99632467342198 15.999 > 5 7 O 0.12503397299478 0.90862495092660 0.99632467342198 15.999 > 5 8 O 0.62503397299478 0.90862495092660 0.99632467342198 15.999 > 5 9 O 0.12503397299478 0.34137504907340 0.49632467342198 15.999 > 9 10 O 0.62503397299478 0.34137504907340 0.49632467342198 15.999 > 9 11 O 0.12503397299478 0.84137504907340 0.49632467342198 15.999 > 9 12 O 0.62503397299478 0.84137504907340 0.49632467342198 15.999 > 9 13 O 0.37496602700522 0.09137504907340 0.00367532657802 15.999 > 13 14 O 0.87496602700522 0.09137504907340 0.00367532657802 15.999 > 13 15 O 0.37496602700522 0.59137504907340 0.00367532657802 15.999 > 13 16 O 0.87496602700522 0.59137504907340 0.00367532657802 15.999 > 13 17 O 0.49055535707132 0.12179881351340 0.36690799028372 15.999 > 17 18 O 0.99055535707132 0.12179881351340 0.36690799028372 15.999 > 17 19 O 0.49055535707132 0.62179881351340 0.36690799028372 15.999 > 17 20 O 0.99055535707132 0.62179881351340 0.36690799028372 15.999 > 17 21 O 0.00944464292868 0.37179881351340 0.13309200971628 15.999 > 21 22 O 0.50944464292868 0.37179881351340 0.13309200971628 15.999 > 21 23 O 0.00944464292868 0.87179881351340 0.13309200971628 15.999 > 21 24 O 0.50944464292868 0.87179881351340 0.13309200971628 15.999 > 21 25 O 0.00944464292868 0.37820118648660 0.63309200971628 15.999 > 25 26 O 0.50944464292868 0.37820118648660 0.63309200971628 15.999 > 25 27 O 0.00944464292868 0.87820118648660 0.63309200971628 15.999 > 25 28 O 0.50944464292868 0.87820118648660 0.63309200971628 15.999 > 25 29 O 0.49055535707132 0.12820118648660 0.86690799028372 15.999 > 29 30 O 0.99055535707132 0.12820118648660 0.86690799028372 15.999 > 29 31 O 0.49055535707132 0.62820118648660 0.86690799028372 15.999 > 29 32 O 0.99055535707132 0.62820118648660 0.86690799028372 15.999 > 29 33 O 0.19081871265760 0.09453076515462 0.42980952615932 15.999 > 33 34 O 0.69081871265760 0.09453076515462 0.42980952615932 15.999 > 33 35 O 0.19081871265760 0.59453076515462 0.42980952615932 15.999 > 33 36 O 0.69081871265760 0.59453076515462 0.42980952615932 15.999 > 33 37 O 0.30918128734240 0.34453076515462 0.07019047384068 15.999 > 37 38 O 0.80918128734240 0.34453076515462 0.07019047384068 15.999 > 37 39 O 0.30918128734240 0.84453076515462 0.07019047384068 15.999 > 37 40 O 0.80918128734240 0.84453076515462 0.07019047384068 15.999 > 37 41 O 0.30918128734240 0.40546923484538 0.57019047384068 15.999 > 41 42 O 0.80918128734240 0.40546923484538 0.57019047384068 15.999 > 41 43 O 0.30918128734240 0.90546923484538 0.57019047384068 15.999 > 41 44 O 0.80918128734240 0.90546923484538 0.57019047384068 15.999 > 41 45 O 0.19081871265760 0.15546923484538 0.92980952615932 15.999 > 45 46 O 0.69081871265760 0.15546923484538 0.92980952615932 15.999 > 45 47 O 0.19081871265760 0.65546923484538 0.92980952615932 15.999 > 45 48 O 0.69081871265760 0.65546923484538 0.92980952615932 15.999 > 45 49 O 0.27557758749751 0.16565342347667 0.67341542086465 15.999 > 49 50 O 0.77557758749751 0.16565342347667 0.67341542086465 15.999 > 49 51 O 0.27557758749751 0.66565342347667 0.67341542086465 15.999 > 49 52 O 0.77557758749751 0.66565342347667 0.67341542086465 15.999 > 49 53 O 0.22442241250249 0.41565342347667 0.82658457913535 15.999 > 53 54 O 0.72442241250249 0.41565342347667 0.82658457913535 15.999 > 53 55 O 0.22442241250249 0.91565342347667 0.82658457913535 15.999 > 53 56 O 0.72442241250249 0.91565342347667 0.82658457913535 15.999 > 53 57 O 0.22442241250249 0.33434657652333 0.32658457913535 15.999 > 57 58 O 0.72442241250249 0.33434657652333 0.32658457913535 15.999 > 57 59 O 0.22442241250249 0.83434657652333 0.32658457913535 15.999 > 57 60 O 0.72442241250249 0.83434657652333 0.32658457913535 15.999 > 57 61 O 0.27557758749751 0.08434657652333 0.17341542086465 15.999 > 61 62 O 0.77557758749751 0.08434657652333 0.17341542086465 15.999 > 61 63 O 0.27557758749751 0.58434657652333 0.17341542086465 15.999 > 61 64 O 0.77557758749751 0.58434657652333 0.17341542086465 15.999 > 61 65 O 0.06054643665570 0.13961711355934 0.64444294459395 15.999 > 65 66 O 0.56054643665570 0.13961711355934 0.64444294459395 15.999 > 65 67 O 0.06054643665570 0.63961711355934 0.64444294459395 15.999 > 65 68 O 0.56054643665570 0.63961711355934 0.64444294459395 15.999 > 65 69 O 0.43945356334430 0.38961711355934 0.85555705540605 15.999 > 69 70 O 0.93945356334430 0.38961711355934 0.85555705540605 15.999 > 69 71 O 0.43945356334430 0.88961711355934 0.85555705540605 15.999 > 69 72 O 0.93945356334430 0.88961711355934 0.85555705540605 15.999 > 69 73 O 0.43945356334430 0.36038288644066 0.35555705540605 15.999 > 73 74 O 0.93945356334430 0.36038288644066 0.35555705540605 15.999 > 73 75 O 0.43945356334430 0.86038288644066 0.35555705540605 15.999 > 73 76 O 0.93945356334430 0.86038288644066 0.35555705540605 15.999 > 73 77 O 0.06054643665570 0.11038288644066 0.14444294459395 15.999 > 77 78 O 0.56054643665570 0.11038288644066 0.14444294459395 15.999 > 77 79 O 0.06054643665570 0.61038288644066 0.14444294459395 15.999 > 77 80 O 0.56054643665570 0.61038288644066 0.14444294459395 15.999 > 77 81 Ca 0.42399004918918 0.02940221903740 0.68209127371824 40.078 > 81 82 Ca 0.92399004918918 0.02940221903740 0.68209127371824 40.078 > 81 83 Ca 0.42399004918918 0.52940221903740 0.68209127371824 40.078 > 81 84 Ca 0.92399004918918 0.52940221903740 0.68209127371824 40.078 > 81 85 Ca 0.07600995081082 0.27940221903740 0.81790872628176 40.078 > 85 86 Ca 0.57600995081082 0.27940221903740 0.81790872628176 40.078 > 85 87 Ca 0.07600995081082 0.77940221903740 0.81790872628176 40.078 > 85 88 Ca 0.57600995081082 0.77940221903740 0.81790872628176 40.078 > 85 89 Ca 0.07600995081082 0.47059778096260 0.31790872628176 40.078 > 89 90 Ca 0.57600995081082 0.47059778096260 0.31790872628176 40.078 > 89 91 Ca 0.07600995081082 0.97059778096260 0.31790872628176 40.078 > 89 92 Ca 0.57600995081082 0.97059778096260 0.31790872628176 40.078 > 89 93 Ca 0.42399004918918 0.22059778096260 0.18209127371824 40.078 > 93 94 Ca 0.92399004918918 0.22059778096260 0.18209127371824 40.078 > 93 95 Ca 0.42399004918918 0.72059778096260 0.18209127371824 40.078 > 93 96 Ca 0.92399004918918 0.72059778096260 0.18209127371824 40.078 > 93 97 Ca 0.32628142214905 0.25358834889676 0.86235890133051 40.078 > 97 98 Ca 0.82628142214905 0.25358834889676 0.86235890133051 40.078 > 97 99 Ca 0.32628142214905 0.75358834889676 0.86235890133051 40.078 > 97 100 Ca 0.82628142214905 0.75358834889676 0.86235890133051 40.078 > 97 101 Ca 0.17371857785095 0.00358834889676 0.63764109866949 40.078 > 101 102 Ca 0.67371857785095 0.00358834889676 0.63764109866949 40.078 > 101 103 Ca 0.17371857785095 0.50358834889676 0.63764109866949 40.078 > 101 104 Ca 0.67371857785095 0.50358834889676 0.63764109866949 40.078 > 101 105 Ca 0.17371857785095 0.24641165110324 0.13764109866949 40.078 > 105 106 Ca 0.67371857785095 0.24641165110324 0.13764109866949 40.078 > 105 107 Ca 0.17371857785095 0.74641165110324 0.13764109866949 40.078 > 105 108 Ca 0.67371857785095 0.74641165110324 0.13764109866949 40.078 > 105 109 Ca 0.32628142214905 0.49641165110324 0.36235890133051 40.078 > 109 110 Ca 0.82628142214905 0.49641165110324 0.36235890133051 40.078 > 109 111 Ca 0.32628142214905 0.99641165110324 0.36235890133051 40.078 > 109 112 Ca 0.82628142214905 0.99641165110324 0.36235890133051 40.078 > 109 113 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 113 114 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 113 115 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 113 116 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 113 117 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 117 118 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 117 119 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 117 120 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 117 121 U 0.25000000000000 0.00000000000000 0.00000000000000 238.029 > 121 122 U 0.75000000000000 0.00000000000000 0.00000000000000 238.029 > 121 123 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 121 124 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 121 125 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 125 126 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 125 127 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 125 128 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2513156 0.0000000 0.0338638 0.0000000 4.2248587 0.0000000 0.0338176 0.0000000 4.2144063 -------------------------- Born effective charges -------------------------- 1 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 2 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 3 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 4 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 5 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 6 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 7 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 8 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 9 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 10 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 11 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 12 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 13 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 14 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 15 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 16 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 17 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 18 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 19 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 20 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 21 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 22 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 23 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 24 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 25 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 26 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 27 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 28 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 29 U 5.5320494 -0.7951231 0.0997865 -0.0469681 5.1221008 0.1354337 0.1652442 -0.2972612 5.8548650 30 U 5.5320494 0.7951231 0.0997865 0.0469681 5.1221008 -0.1354337 0.1652442 0.2972612 5.8548650 31 U 5.6335587 0.3854533 0.3063919 -0.2626318 5.8543503 0.1887781 0.1850654 0.3115212 5.1566771 32 U 5.6335587 -0.3854533 0.3063919 0.2626318 5.8543503 -0.1887781 0.1850654 -0.3115212 5.1566771 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 121, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yz) 0.00000005 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:02:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:55]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.830101310002823 0.000000000000000 0.000000000000000 b 0.000000000000000 5.431235950000000 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): 1 O 0.74993205401044 0.31724990185320 0.50367532657802 15.999 2 O 0.25006794598956 0.81724990185320 0.99632467342198 15.999 3 O 0.25006794598956 0.68275009814680 0.49632467342198 15.999 4 O 0.74993205401044 0.18275009814681 0.00367532657802 15.999 5 O 0.98111071414265 0.24359762702680 0.36690799028372 15.999 6 O 0.01888928585735 0.74359762702680 0.13309200971628 15.999 7 O 0.01888928585735 0.75640237297320 0.63309200971628 15.999 8 O 0.98111071414265 0.25640237297320 0.86690799028372 15.999 9 O 0.38163742531520 0.18906153030923 0.42980952615932 15.999 10 O 0.61836257468480 0.68906153030923 0.07019047384068 15.999 11 O 0.61836257468480 0.81093846969077 0.57019047384068 15.999 12 O 0.38163742531520 0.31093846969077 0.92980952615932 15.999 13 O 0.55115517499503 0.33130684695333 0.67341542086465 15.999 14 O 0.44884482500497 0.83130684695333 0.82658457913535 15.999 15 O 0.44884482500497 0.66869315304667 0.32658457913535 15.999 16 O 0.55115517499503 0.16869315304667 0.17341542086465 15.999 17 O 0.12109287331140 0.27923422711868 0.64444294459395 15.999 18 O 0.87890712668860 0.77923422711868 0.85555705540605 15.999 19 O 0.87890712668860 0.72076577288132 0.35555705540605 15.999 20 O 0.12109287331140 0.22076577288132 0.14444294459395 15.999 21 Ca 0.84798009837837 0.05880443807480 0.68209127371824 40.078 22 Ca 0.15201990162163 0.55880443807480 0.81790872628176 40.078 23 Ca 0.15201990162163 0.94119556192520 0.31790872628176 40.078 24 Ca 0.84798009837837 0.44119556192520 0.18209127371824 40.078 25 Ca 0.65256284429810 0.50717669779352 0.86235890133051 40.078 26 Ca 0.34743715570190 0.00717669779352 0.63764109866949 40.078 27 Ca 0.34743715570190 0.49282330220648 0.13764109866949 40.078 28 Ca 0.65256284429810 0.99282330220648 0.36235890133051 40.078 29 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 31 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.660202620005647 0.000000000000000 0.000000000000000 b 0.000000000000000 10.862471899999999 0.000000000000000 c -3.490966099976004 0.000000000000000 10.773778154834561 Atomic positions (fractional): 1 O 0.37496602700522 0.15862495092660 0.50367532657802 15.999 > 1 2 O 0.87496602700522 0.15862495092660 0.50367532657802 15.999 > 1 3 O 0.37496602700522 0.65862495092660 0.50367532657802 15.999 > 1 4 O 0.87496602700522 0.65862495092660 0.50367532657802 15.999 > 1 5 O 0.12503397299478 0.40862495092660 0.99632467342198 15.999 > 5 6 O 0.62503397299478 0.40862495092660 0.99632467342198 15.999 > 5 7 O 0.12503397299478 0.90862495092660 0.99632467342198 15.999 > 5 8 O 0.62503397299478 0.90862495092660 0.99632467342198 15.999 > 5 9 O 0.12503397299478 0.34137504907340 0.49632467342198 15.999 > 9 10 O 0.62503397299478 0.34137504907340 0.49632467342198 15.999 > 9 11 O 0.12503397299478 0.84137504907340 0.49632467342198 15.999 > 9 12 O 0.62503397299478 0.84137504907340 0.49632467342198 15.999 > 9 13 O 0.37496602700522 0.09137504907340 0.00367532657802 15.999 > 13 14 O 0.87496602700522 0.09137504907340 0.00367532657802 15.999 > 13 15 O 0.37496602700522 0.59137504907340 0.00367532657802 15.999 > 13 16 O 0.87496602700522 0.59137504907340 0.00367532657802 15.999 > 13 17 O 0.49055535707132 0.12179881351340 0.36690799028372 15.999 > 17 18 O 0.99055535707132 0.12179881351340 0.36690799028372 15.999 > 17 19 O 0.49055535707132 0.62179881351340 0.36690799028372 15.999 > 17 20 O 0.99055535707132 0.62179881351340 0.36690799028372 15.999 > 17 21 O 0.00944464292868 0.37179881351340 0.13309200971628 15.999 > 21 22 O 0.50944464292868 0.37179881351340 0.13309200971628 15.999 > 21 23 O 0.00944464292868 0.87179881351340 0.13309200971628 15.999 > 21 24 O 0.50944464292868 0.87179881351340 0.13309200971628 15.999 > 21 25 O 0.00944464292868 0.37820118648660 0.63309200971628 15.999 > 25 26 O 0.50944464292868 0.37820118648660 0.63309200971628 15.999 > 25 27 O 0.00944464292868 0.87820118648660 0.63309200971628 15.999 > 25 28 O 0.50944464292868 0.87820118648660 0.63309200971628 15.999 > 25 29 O 0.49055535707132 0.12820118648660 0.86690799028372 15.999 > 29 30 O 0.99055535707132 0.12820118648660 0.86690799028372 15.999 > 29 31 O 0.49055535707132 0.62820118648660 0.86690799028372 15.999 > 29 32 O 0.99055535707132 0.62820118648660 0.86690799028372 15.999 > 29 33 O 0.19081871265760 0.09453076515462 0.42980952615932 15.999 > 33 34 O 0.69081871265760 0.09453076515462 0.42980952615932 15.999 > 33 35 O 0.19081871265760 0.59453076515462 0.42980952615932 15.999 > 33 36 O 0.69081871265760 0.59453076515462 0.42980952615932 15.999 > 33 37 O 0.30918128734240 0.34453076515462 0.07019047384068 15.999 > 37 38 O 0.80918128734240 0.34453076515462 0.07019047384068 15.999 > 37 39 O 0.30918128734240 0.84453076515462 0.07019047384068 15.999 > 37 40 O 0.80918128734240 0.84453076515462 0.07019047384068 15.999 > 37 41 O 0.30918128734240 0.40546923484538 0.57019047384068 15.999 > 41 42 O 0.80918128734240 0.40546923484538 0.57019047384068 15.999 > 41 43 O 0.30918128734240 0.90546923484538 0.57019047384068 15.999 > 41 44 O 0.80918128734240 0.90546923484538 0.57019047384068 15.999 > 41 45 O 0.19081871265760 0.15546923484538 0.92980952615932 15.999 > 45 46 O 0.69081871265760 0.15546923484538 0.92980952615932 15.999 > 45 47 O 0.19081871265760 0.65546923484538 0.92980952615932 15.999 > 45 48 O 0.69081871265760 0.65546923484538 0.92980952615932 15.999 > 45 49 O 0.27557758749751 0.16565342347667 0.67341542086465 15.999 > 49 50 O 0.77557758749751 0.16565342347667 0.67341542086465 15.999 > 49 51 O 0.27557758749751 0.66565342347667 0.67341542086465 15.999 > 49 52 O 0.77557758749751 0.66565342347667 0.67341542086465 15.999 > 49 53 O 0.22442241250249 0.41565342347667 0.82658457913535 15.999 > 53 54 O 0.72442241250249 0.41565342347667 0.82658457913535 15.999 > 53 55 O 0.22442241250249 0.91565342347667 0.82658457913535 15.999 > 53 56 O 0.72442241250249 0.91565342347667 0.82658457913535 15.999 > 53 57 O 0.22442241250249 0.33434657652333 0.32658457913535 15.999 > 57 58 O 0.72442241250249 0.33434657652333 0.32658457913535 15.999 > 57 59 O 0.22442241250249 0.83434657652333 0.32658457913535 15.999 > 57 60 O 0.72442241250249 0.83434657652333 0.32658457913535 15.999 > 57 61 O 0.27557758749751 0.08434657652333 0.17341542086465 15.999 > 61 62 O 0.77557758749751 0.08434657652333 0.17341542086465 15.999 > 61 63 O 0.27557758749751 0.58434657652333 0.17341542086465 15.999 > 61 64 O 0.77557758749751 0.58434657652333 0.17341542086465 15.999 > 61 65 O 0.06054643665570 0.13961711355934 0.64444294459395 15.999 > 65 66 O 0.56054643665570 0.13961711355934 0.64444294459395 15.999 > 65 67 O 0.06054643665570 0.63961711355934 0.64444294459395 15.999 > 65 68 O 0.56054643665570 0.63961711355934 0.64444294459395 15.999 > 65 69 O 0.43945356334430 0.38961711355934 0.85555705540605 15.999 > 69 70 O 0.93945356334430 0.38961711355934 0.85555705540605 15.999 > 69 71 O 0.43945356334430 0.88961711355934 0.85555705540605 15.999 > 69 72 O 0.93945356334430 0.88961711355934 0.85555705540605 15.999 > 69 73 O 0.43945356334430 0.36038288644066 0.35555705540605 15.999 > 73 74 O 0.93945356334430 0.36038288644066 0.35555705540605 15.999 > 73 75 O 0.43945356334430 0.86038288644066 0.35555705540605 15.999 > 73 76 O 0.93945356334430 0.86038288644066 0.35555705540605 15.999 > 73 77 O 0.06054643665570 0.11038288644066 0.14444294459395 15.999 > 77 78 O 0.56054643665570 0.11038288644066 0.14444294459395 15.999 > 77 79 O 0.06054643665570 0.61038288644066 0.14444294459395 15.999 > 77 80 O 0.56054643665570 0.61038288644066 0.14444294459395 15.999 > 77 81 Ca 0.42399004918918 0.02940221903740 0.68209127371824 40.078 > 81 82 Ca 0.92399004918918 0.02940221903740 0.68209127371824 40.078 > 81 83 Ca 0.42399004918918 0.52940221903740 0.68209127371824 40.078 > 81 84 Ca 0.92399004918918 0.52940221903740 0.68209127371824 40.078 > 81 85 Ca 0.07600995081082 0.27940221903740 0.81790872628176 40.078 > 85 86 Ca 0.57600995081082 0.27940221903740 0.81790872628176 40.078 > 85 87 Ca 0.07600995081082 0.77940221903740 0.81790872628176 40.078 > 85 88 Ca 0.57600995081082 0.77940221903740 0.81790872628176 40.078 > 85 89 Ca 0.07600995081082 0.47059778096260 0.31790872628176 40.078 > 89 90 Ca 0.57600995081082 0.47059778096260 0.31790872628176 40.078 > 89 91 Ca 0.07600995081082 0.97059778096260 0.31790872628176 40.078 > 89 92 Ca 0.57600995081082 0.97059778096260 0.31790872628176 40.078 > 89 93 Ca 0.42399004918918 0.22059778096260 0.18209127371824 40.078 > 93 94 Ca 0.92399004918918 0.22059778096260 0.18209127371824 40.078 > 93 95 Ca 0.42399004918918 0.72059778096260 0.18209127371824 40.078 > 93 96 Ca 0.92399004918918 0.72059778096260 0.18209127371824 40.078 > 93 97 Ca 0.32628142214905 0.25358834889676 0.86235890133051 40.078 > 97 98 Ca 0.82628142214905 0.25358834889676 0.86235890133051 40.078 > 97 99 Ca 0.32628142214905 0.75358834889676 0.86235890133051 40.078 > 97 100 Ca 0.82628142214905 0.75358834889676 0.86235890133051 40.078 > 97 101 Ca 0.17371857785095 0.00358834889676 0.63764109866949 40.078 > 101 102 Ca 0.67371857785095 0.00358834889676 0.63764109866949 40.078 > 101 103 Ca 0.17371857785095 0.50358834889676 0.63764109866949 40.078 > 101 104 Ca 0.67371857785095 0.50358834889676 0.63764109866949 40.078 > 101 105 Ca 0.17371857785095 0.24641165110324 0.13764109866949 40.078 > 105 106 Ca 0.67371857785095 0.24641165110324 0.13764109866949 40.078 > 105 107 Ca 0.17371857785095 0.74641165110324 0.13764109866949 40.078 > 105 108 Ca 0.67371857785095 0.74641165110324 0.13764109866949 40.078 > 105 109 Ca 0.32628142214905 0.49641165110324 0.36235890133051 40.078 > 109 110 Ca 0.82628142214905 0.49641165110324 0.36235890133051 40.078 > 109 111 Ca 0.32628142214905 0.99641165110324 0.36235890133051 40.078 > 109 112 Ca 0.82628142214905 0.99641165110324 0.36235890133051 40.078 > 109 113 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 113 114 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 113 115 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 113 116 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 113 117 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 117 118 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 117 119 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 117 120 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 117 121 U 0.25000000000000 0.00000000000000 0.00000000000000 238.029 > 121 122 U 0.75000000000000 0.00000000000000 0.00000000000000 238.029 > 121 123 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 121 124 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 121 125 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 125 126 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 125 127 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 125 128 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2513156 0.0000000 0.0338638 0.0000000 4.2248587 0.0000000 0.0338176 0.0000000 4.2144063 -------------------------- Born effective charges -------------------------- 1 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 2 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 3 O -4.1979070 0.0114514 -0.0718067 -0.0158227 -1.8048756 0.0318530 -0.0486013 0.0161021 -1.0970148 4 O -4.1979070 -0.0114514 -0.0718067 0.0158227 -1.8048756 -0.0318530 -0.0486013 -0.0161021 -1.0970148 5 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 6 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 7 O -1.3957338 0.4306052 0.2669075 0.3550446 -2.3210055 -1.0405608 0.2614829 -0.9261353 -2.5901555 8 O -1.3957338 -0.4306052 0.2669075 -0.3550446 -2.3210055 1.0405608 0.2614829 0.9261353 -2.5901555 9 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 10 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 11 O -1.6269097 -0.8007334 -0.3193752 -0.6676431 -2.9088371 -0.8883371 -0.2696225 -0.7801580 -1.4738422 12 O -1.6269097 0.8007334 -0.3193752 0.6676431 -2.9088371 0.8883371 -0.2696225 0.7801580 -1.4738422 13 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 14 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 15 O -1.3480928 -0.1895044 0.1617749 -0.1129599 -1.8573026 0.6442725 0.1157341 0.5666248 -3.3150411 16 O -1.3480928 0.1895044 0.1617749 0.1129599 -1.8573026 -0.6442725 0.1157341 -0.5666248 -3.3150411 17 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 18 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 19 O -1.5398520 0.3879070 -0.3034131 0.3256681 -2.0732707 1.0601894 -0.2730608 0.7507736 -2.4012623 20 O -1.5398520 -0.3879070 -0.3034131 -0.3256681 -2.0732707 -1.0601894 -0.2730608 -0.7507736 -2.4012623 21 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 22 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 23 Ca 2.2331456 -0.0786533 0.1660794 -0.0498940 2.6381667 0.0423698 0.0146337 0.0268417 2.9306836 24 Ca 2.2331456 0.0786533 0.1660794 0.0498940 2.6381667 -0.0423698 0.0146337 -0.0268417 2.9306836 25 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 26 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 27 Ca 2.2925456 -0.0844288 -0.1032560 -0.0366724 2.8388993 -0.0472237 0.0242789 0.3321900 2.4408612 28 Ca 2.2925456 0.0844288 -0.1032560 0.0366724 2.8388993 0.0472237 0.0242789 -0.3321900 2.4408612 29 U 5.5320494 -0.7951231 0.0997865 -0.0469681 5.1221008 0.1354337 0.1652442 -0.2972612 5.8548650 30 U 5.5320494 0.7951231 0.0997865 0.0469681 5.1221008 -0.1354337 0.1652442 0.2972612 5.8548650 31 U 5.6335587 0.3854533 0.3063919 -0.2626318 5.8543503 0.1887781 0.1850654 0.3115212 5.1566771 32 U 5.6335587 -0.3854533 0.3063919 0.2626318 5.8543503 -0.1887781 0.1850654 -0.3115212 5.1566771 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 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 1.328 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.024 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.346 ( 0.000 0.000 0.000) 0.000 12.367 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 13.541 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 0.000) 0.000 15.362 ( 0.000 0.000 0.000) 0.000 15.372 ( 0.000 0.000 0.000) 0.000 16.301 ( 0.000 0.000 0.000) 0.000 16.786 ( 0.000 0.000 0.000) 0.000 17.066 ( 0.000 0.000 0.000) 0.000 17.239 ( 0.000 0.000 0.000) 0.000 18.330 ( 0.000 0.000 0.000) 0.000 18.995 ( 0.000 0.000 0.000) 0.000 20.000 ( 0.000 0.000 0.000) 0.000 21.444 ( 0.000 0.000 0.000) 0.000 21.519 ( 0.000 0.000 0.000) 0.000 21.742 ( 0.000 0.000 0.000) 0.000 22.085 ( 0.000 0.000 0.000) 0.000 22.087 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 9.472 0.000 19.442) 21.627 0.514 ( 22.043 0.000 18.357) 28.686 0.979 ( 48.264 0.000 10.471) 49.387 1.399 ( 4.210 0.000 -1.538) 4.483 1.810 ( 1.560 0.000 -5.280) 5.505 1.813 ( 16.797 0.000 -5.025) 17.532 2.103 ( -3.968 0.000 -13.834) 14.391 2.521 ( -0.826 0.000 -3.337) 3.437 2.670 ( -5.555 0.000 2.888) 6.261 2.753 ( -10.958 0.000 -5.686) 12.345 2.912 ( -11.189 0.000 4.944) 12.232 3.127 ( -2.675 0.000 8.705) 9.107 3.241 ( -0.156 0.000 -3.220) 3.224 3.502 ( 0.607 0.000 -1.929) 2.023 3.559 ( 5.792 0.000 -2.660) 6.373 3.604 ( 4.168 0.000 3.418) 5.390 3.759 ( 10.199 0.000 7.797) 12.838 3.799 ( 6.524 0.000 -1.028) 6.604 4.258 ( -3.231 0.000 -9.098) 9.655 4.428 ( -9.202 0.000 -3.565) 9.869 4.465 ( 1.609 0.000 -2.102) 2.647 4.636 ( -6.632 0.000 -4.720) 8.141 4.815 ( -6.220 0.000 -7.036) 9.391 5.129 ( -5.833 0.000 -12.716) 13.990 5.214 ( -10.504 0.000 1.696) 10.640 5.494 ( -4.198 0.000 7.218) 8.350 5.551 ( 1.404 0.000 1.651) 2.168 5.660 ( -4.206 0.000 11.219) 11.982 5.843 ( 2.056 0.000 -1.000) 2.287 5.894 ( -14.150 0.000 10.172) 17.427 6.266 ( -3.500 0.000 -3.952) 5.279 6.348 ( 8.136 0.000 -3.767) 8.966 6.438 ( -7.274 0.000 -1.134) 7.361 6.560 ( -7.983 0.000 -12.496) 14.828 6.685 ( 1.321 0.000 0.096) 1.324 6.738 ( 1.686 0.000 7.530) 7.716 6.834 ( -5.955 0.000 -0.687) 5.994 6.848 ( -1.088 0.000 -9.458) 9.521 6.949 ( -0.246 0.000 5.653) 5.658 7.059 ( 4.723 0.000 3.450) 5.848 7.229 ( 2.595 0.000 0.773) 2.708 7.353 ( 2.029 0.000 -10.946) 11.133 7.477 ( 6.243 0.000 -0.027) 6.243 7.637 ( 9.717 0.000 1.092) 9.778 7.667 ( 13.571 0.000 1.522) 13.656 7.843 ( 7.716 0.000 1.802) 7.923 7.858 ( 3.572 0.000 -13.593) 14.054 7.932 ( 2.359 0.000 -1.900) 3.029 8.052 ( 2.328 0.000 -1.567) 2.806 8.165 ( 4.249 0.000 3.390) 5.436 8.269 ( 3.772 0.000 -6.299) 7.342 8.306 ( 6.663 0.000 10.048) 12.056 8.497 ( 4.869 0.000 0.742) 4.925 8.685 ( 10.425 0.000 -28.641) 30.479 8.858 ( -1.138 0.000 4.757) 4.891 8.938 ( 1.522 0.000 -5.713) 5.912 9.115 ( 0.766 0.000 0.736) 1.063 9.551 ( 1.118 0.000 -0.445) 1.203 9.787 ( 2.329 0.000 -0.673) 2.424 9.941 ( -2.462 0.000 4.077) 4.762 10.111 ( -1.375 0.000 -1.803) 2.267 10.247 ( 0.612 0.000 0.109) 0.622 10.407 ( -1.873 0.000 2.922) 3.471 10.469 ( -2.658 0.000 -0.233) 2.668 10.901 ( -0.791 0.000 0.067) 0.794 11.027 ( -1.825 0.000 1.121) 2.142 11.313 ( 1.003 0.000 -0.666) 1.204 11.405 ( -0.903 0.000 7.133) 7.190 11.610 ( -4.089 0.000 -4.266) 5.909 11.934 ( 0.526 0.000 2.890) 2.938 12.015 ( 1.160 0.000 -0.880) 1.455 12.158 ( -5.527 0.000 7.034) 8.945 12.160 ( -4.944 0.000 -0.971) 5.038 12.298 ( -4.559 0.000 -2.723) 5.311 12.379 ( -7.372 0.000 15.036) 16.746 12.436 ( -0.550 0.000 7.701) 7.721 13.612 ( 4.564 0.000 8.691) 9.816 14.349 ( -11.022 0.000 0.235) 11.025 14.558 ( -1.830 0.000 0.415) 1.876 14.810 ( -11.309 0.000 8.988) 14.446 15.022 ( 8.756 0.000 -42.585) 43.476 15.272 ( -3.870 0.000 -12.872) 13.441 15.518 ( 15.121 0.000 -4.005) 15.642 16.444 ( 8.574 0.000 14.313) 16.684 16.669 ( -8.669 0.000 3.470) 9.337 16.945 ( -5.225 0.000 5.167) 7.348 17.218 ( 15.015 0.000 -11.953) 19.192 17.574 ( 20.239 0.000 -67.972) 70.921 19.103 ( 8.409 0.000 10.913) 13.777 19.179 ( -10.453 0.000 35.027) 36.553 21.049 ( -25.167 0.000 61.642) 66.582 21.309 ( -13.016 0.000 -3.305) 13.429 21.580 ( 4.262 0.000 4.667) 6.320 21.768 ( 2.895 0.000 -1.447) 3.236 22.073 ( -1.439 0.000 -0.445) 1.506 22.087 ( -0.053 0.000 0.282) 0.287 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 15.894 0.000 12.399) 20.158 1.018 ( 20.621 0.000 20.299) 28.935 1.393 ( -2.799 0.000 -2.968) 4.079 1.741 ( 18.784 0.000 -1.117) 18.817 1.843 ( 4.665 0.000 -2.218) 5.166 2.090 ( 22.229 0.000 -2.999) 22.431 2.182 ( 21.305 0.000 -6.016) 22.138 2.440 ( -17.475 0.000 -9.481) 19.881 2.487 ( 0.195 0.000 -2.304) 2.312 2.585 ( -2.098 0.000 1.110) 2.373 2.687 ( -16.105 0.000 6.451) 17.349 3.195 ( 1.464 0.000 16.739) 16.803 3.196 ( -1.846 0.000 -4.860) 5.199 3.417 ( -6.527 0.000 -4.492) 7.924 3.655 ( 4.149 0.000 -4.926) 6.441 3.722 ( 3.661 0.000 2.593) 4.487 3.929 ( 6.497 0.000 -0.941) 6.565 4.002 ( 9.619 0.000 10.220) 14.034 4.133 ( -3.781 0.000 -4.691) 6.026 4.187 ( -11.997 0.000 -3.589) 12.522 4.440 ( -8.712 0.000 -4.797) 9.946 4.487 ( -0.707 0.000 -1.527) 1.683 4.592 ( -10.130 0.000 -9.310) 13.759 4.917 ( -11.806 0.000 -10.304) 15.670 5.051 ( -10.709 0.000 2.052) 10.904 5.252 ( -16.521 0.000 2.574) 16.721 5.551 ( -0.987 0.000 0.934) 1.359 5.698 ( 0.596 0.000 13.634) 13.647 5.833 ( -0.678 0.000 -0.512) 0.850 5.891 ( 0.592 0.000 14.144) 14.156 6.240 ( 1.132 0.000 -2.069) 2.358 6.336 ( -4.657 0.000 5.199) 6.980 6.353 ( -0.518 0.000 -17.036) 17.043 6.463 ( 0.786 0.000 3.615) 3.700 6.698 ( -5.205 0.000 2.194) 5.648 6.711 ( -5.098 0.000 -4.278) 6.655 6.718 ( 3.670 0.000 -14.305) 14.769 6.834 ( 2.385 0.000 0.984) 2.581 6.985 ( 0.038 0.000 4.790) 4.790 7.091 ( -0.300 0.000 -6.498) 6.505 7.345 ( 2.031 0.000 -1.944) 2.811 7.382 ( 6.247 0.000 6.190) 8.795 7.565 ( 2.638 0.000 -1.408) 2.990 7.760 ( 3.529 0.000 -0.227) 3.536 7.807 ( 7.958 0.000 7.972) 11.264 7.817 ( 1.032 0.000 -6.682) 6.761 8.021 ( 8.804 0.000 0.527) 8.820 8.099 ( 5.077 0.000 3.096) 5.947 8.172 ( 7.666 0.000 4.161) 8.722 8.239 ( 7.194 0.000 -3.550) 8.023 8.342 ( 6.294 0.000 -3.309) 7.111 8.402 ( 0.271 0.000 -1.719) 1.740 8.591 ( 3.538 0.000 1.657) 3.907 8.804 ( 13.006 0.000 -6.342) 14.470 8.891 ( -0.545 0.000 -9.517) 9.533 8.904 ( 1.849 0.000 3.749) 4.181 9.137 ( 2.274 0.000 -1.257) 2.598 9.572 ( 0.574 0.000 1.555) 1.657 9.847 ( 4.450 0.000 -0.953) 4.551 9.902 ( -4.596 0.000 4.776) 6.628 10.067 ( -1.757 0.000 -2.321) 2.911 10.272 ( 2.737 0.000 -2.082) 3.439 10.385 ( -1.399 0.000 -0.119) 1.404 10.407 ( -3.617 0.000 -0.033) 3.618 10.885 ( -0.808 0.000 -0.119) 0.816 11.004 ( -1.121 0.000 1.220) 1.657 11.311 ( -1.358 0.000 -1.621) 2.114 11.445 ( 1.710 0.000 4.085) 4.428 11.499 ( -3.667 0.000 -4.036) 5.453 11.957 ( -2.150 0.000 5.139) 5.571 12.021 ( 0.508 0.000 -4.450) 4.479 12.061 ( -6.783 0.000 1.827) 7.025 12.102 ( -2.197 0.000 6.998) 7.334 12.196 ( -0.884 0.000 -10.169) 10.208 12.332 ( -5.824 0.000 9.697) 11.311 12.429 ( -4.405 0.000 4.452) 6.263 13.784 ( 6.878 0.000 11.470) 13.374 14.057 ( -17.684 0.000 -0.216) 17.686 14.553 ( 0.239 0.000 -1.881) 1.896 14.660 ( -11.748 0.000 12.985) 17.511 14.898 ( 1.917 0.000 -29.668) 29.730 15.145 ( -1.506 0.000 -9.053) 9.177 15.807 ( 17.424 0.000 -2.843) 17.655 16.490 ( -5.760 0.000 -1.518) 5.957 16.790 ( 10.322 0.000 22.176) 24.461 16.849 ( -8.167 0.000 4.027) 9.106 17.370 ( 10.204 0.000 -17.863) 20.572 17.526 ( 6.623 0.000 -30.121) 30.841 19.204 ( -2.863 0.000 13.909) 14.201 19.423 ( 16.556 0.000 18.111) 24.538 20.950 ( -12.217 0.000 22.333) 25.456 20.960 ( -20.388 0.000 -9.041) 22.302 21.698 ( 5.406 0.000 3.317) 6.343 21.823 ( 3.915 0.000 -1.248) 4.109 22.031 ( -2.662 0.000 -0.705) 2.754 22.079 ( -1.196 0.000 0.372) 1.253 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 14.042 0.000 5.394) 15.042 1.278 ( -7.598 0.000 -1.765) 7.800 1.499 ( 17.497 0.000 22.416) 28.436 1.808 ( 4.246 0.000 -16.421) 16.961 1.934 ( 4.161 0.000 -0.774) 4.232 2.038 ( -18.092 0.000 -6.531) 19.235 2.290 ( -0.901 0.000 -2.068) 2.256 2.420 ( -8.144 0.000 2.736) 8.592 2.488 ( 0.626 0.000 -4.688) 4.729 2.695 ( 20.594 0.000 3.150) 20.834 2.808 ( 18.967 0.000 5.235) 19.676 3.181 ( 5.726 0.000 1.519) 5.924 3.213 ( -12.776 0.000 -4.377) 13.505 3.365 ( 6.710 0.000 14.318) 15.813 3.524 ( -15.291 0.000 -5.656) 16.304 3.641 ( -10.618 0.000 -7.915) 13.243 3.962 ( 0.901 0.000 -0.269) 0.941 4.109 ( 5.201 0.000 -5.553) 7.609 4.133 ( 3.100 0.000 3.048) 4.347 4.215 ( 3.232 0.000 8.084) 8.707 4.313 ( -1.359 0.000 3.771) 4.009 4.392 ( -5.753 0.000 -6.087) 8.375 4.439 ( -2.494 0.000 -1.778) 3.063 4.597 ( -12.992 0.000 -8.417) 15.481 4.887 ( -5.846 0.000 0.607) 5.877 5.092 ( -3.455 0.000 0.845) 3.557 5.547 ( -0.094 0.000 0.454) 0.463 5.791 ( 2.717 0.000 2.951) 4.011 5.828 ( -1.035 0.000 2.468) 2.677 5.966 ( 0.010 0.000 7.003) 7.003 6.255 ( 0.685 0.000 0.478) 0.836 6.281 ( 1.119 0.000 -8.539) 8.612 6.327 ( -1.778 0.000 9.519) 9.684 6.487 ( -0.599 0.000 3.299) 3.353 6.570 ( -1.125 0.000 -14.211) 14.255 6.622 ( -1.711 0.000 -3.233) 3.658 6.755 ( 1.344 0.000 2.295) 2.659 6.860 ( 0.506 0.000 -1.343) 1.435 7.000 ( -0.192 0.000 1.330) 1.343 7.024 ( -1.875 0.000 -3.893) 4.321 7.398 ( 2.399 0.000 3.031) 3.865 7.467 ( 1.493 0.000 2.076) 2.557 7.547 ( -1.328 0.000 -4.329) 4.528 7.783 ( 1.065 0.000 -2.260) 2.499 7.834 ( 1.025 0.000 0.762) 1.277 8.072 ( 9.631 0.000 9.161) 13.292 8.114 ( -0.622 0.000 0.078) 0.627 8.172 ( 7.229 0.000 0.479) 7.245 8.268 ( -2.001 0.000 2.502) 3.203 8.348 ( 2.904 0.000 3.505) 4.551 8.382 ( 1.383 0.000 -2.592) 2.938 8.422 ( 4.023 0.000 -7.095) 8.156 8.630 ( -0.331 0.000 2.663) 2.683 8.769 ( -3.894 0.000 -7.449) 8.406 8.945 ( 2.975 0.000 -0.028) 2.975 8.986 ( 2.897 0.000 0.653) 2.970 9.207 ( 5.242 0.000 -1.981) 5.604 9.578 ( -0.897 0.000 1.621) 1.852 9.848 ( -2.709 0.000 1.893) 3.305 9.915 ( 2.647 0.000 -0.463) 2.687 10.033 ( -0.691 0.000 -1.063) 1.267 10.314 ( 2.606 0.000 -1.266) 2.897 10.354 ( -1.761 0.000 0.102) 1.764 10.357 ( -1.560 0.000 -0.014) 1.560 10.874 ( -0.270 0.000 -0.120) 0.295 11.006 ( 0.512 0.000 0.543) 0.746 11.247 ( -2.933 0.000 -1.356) 3.232 11.459 ( -0.095 0.000 -0.784) 0.790 11.509 ( 2.587 0.000 1.723) 3.109 11.856 ( -6.362 0.000 0.524) 6.383 11.995 ( -0.662 0.000 -1.360) 1.512 12.033 ( -0.550 0.000 3.693) 3.734 12.153 ( 1.736 0.000 -7.798) 7.989 12.155 ( 2.875 0.000 4.607) 5.430 12.288 ( -3.250 0.000 4.838) 5.829 12.339 ( -5.511 0.000 -0.502) 5.534 13.801 ( -8.017 0.000 -0.364) 8.025 13.954 ( 4.362 0.000 6.015) 7.430 14.534 ( -0.572 0.000 -1.457) 1.566 14.548 ( -6.221 0.000 6.644) 9.102 14.782 ( 0.458 0.000 -13.426) 13.434 15.112 ( 0.672 0.000 -2.420) 2.512 16.066 ( 10.000 0.000 -1.245) 10.077 16.399 ( -2.608 0.000 -0.833) 2.738 16.718 ( -6.413 0.000 1.979) 6.712 17.078 ( 6.000 0.000 16.848) 17.884 17.374 ( 2.134 0.000 -15.476) 15.622 17.477 ( 1.436 0.000 -9.578) 9.685 19.230 ( -0.399 0.000 4.022) 4.042 19.876 ( 19.053 0.000 17.009) 25.541 20.500 ( -20.386 0.000 -13.119) 24.242 20.884 ( -4.026 0.000 6.314) 7.488 21.799 ( 3.438 0.000 1.326) 3.685 21.884 ( 2.619 0.000 -0.507) 2.668 21.976 ( -2.377 0.000 -0.574) 2.445 22.052 ( -1.482 0.000 0.221) 1.498 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 17.357 0.000) 17.357 0.571 ( 0.000 27.168 0.000) 27.168 1.099 ( 0.000 49.628 0.000) 49.628 1.477 ( 0.000 12.186 0.000) 12.186 1.652 ( 0.000 13.434 0.000) 13.434 1.681 ( 0.000 -1.453 0.000) 1.453 2.175 ( 0.000 12.746 0.000) 12.746 2.564 ( 0.000 -3.179 0.000) 3.179 2.777 ( 0.000 -6.387 0.000) 6.387 2.806 ( 0.000 6.461 0.000) 6.461 3.077 ( 0.000 5.319 0.000) 5.319 3.215 ( 0.000 6.004 0.000) 6.004 3.331 ( 0.000 -7.379 0.000) 7.379 3.378 ( 0.000 8.606 0.000) 8.606 3.504 ( 0.000 1.456 0.000) 1.456 3.581 ( 0.000 -3.971 0.000) 3.971 3.670 ( 0.000 -4.829 0.000) 4.829 3.739 ( 0.000 10.429 0.000) 10.429 4.302 ( 0.000 -4.281 0.000) 4.281 4.313 ( 0.000 -4.111 0.000) 4.111 4.436 ( 0.000 -4.493 0.000) 4.493 4.575 ( 0.000 -6.342 0.000) 6.342 4.897 ( 0.000 1.240 0.000) 1.240 5.276 ( 0.000 -8.812 0.000) 8.812 5.326 ( 0.000 1.828 0.000) 1.828 5.492 ( 0.000 -3.883 0.000) 3.883 5.626 ( 0.000 4.207 0.000) 4.207 5.705 ( 0.000 5.720 0.000) 5.720 5.727 ( 0.000 -7.954 0.000) 7.954 6.078 ( 0.000 -7.979 0.000) 7.979 6.246 ( 0.000 2.124 0.000) 2.124 6.291 ( 0.000 -17.574 0.000) 17.574 6.470 ( 0.000 -9.447 0.000) 9.447 6.520 ( 0.000 -3.794 0.000) 3.794 6.635 ( 0.000 1.804 0.000) 1.804 6.711 ( 0.000 -2.694 0.000) 2.694 6.776 ( 0.000 0.762 0.000) 0.762 6.951 ( 0.000 -8.625 0.000) 8.625 6.963 ( 0.000 -13.646 0.000) 13.646 6.987 ( 0.000 -2.874 0.000) 2.874 7.131 ( 0.000 5.940 0.000) 5.940 7.309 ( 0.000 0.222 0.000) 0.222 7.408 ( 0.000 -5.314 0.000) 5.314 7.539 ( 0.000 3.782 0.000) 3.782 7.612 ( 0.000 1.943 0.000) 1.943 7.690 ( 0.000 -4.943 0.000) 4.943 7.918 ( 0.000 6.098 0.000) 6.098 7.931 ( 0.000 -2.492 0.000) 2.492 7.988 ( 0.000 -6.416 0.000) 6.416 8.044 ( 0.000 4.420 0.000) 4.420 8.242 ( 0.000 5.694 0.000) 5.694 8.277 ( 0.000 11.310 0.000) 11.310 8.586 ( 0.000 16.278 0.000) 16.278 8.637 ( 0.000 15.820 0.000) 15.820 8.839 ( 0.000 -5.374 0.000) 5.374 8.914 ( 0.000 5.621 0.000) 5.621 9.247 ( 0.000 10.195 0.000) 10.195 9.520 ( 0.000 -1.682 0.000) 1.682 9.774 ( 0.000 -1.223 0.000) 1.223 9.975 ( 0.000 -0.594 0.000) 0.594 10.013 ( 0.000 4.008 0.000) 4.008 10.213 ( 0.000 5.786 0.000) 5.786 10.265 ( 0.000 1.516 0.000) 1.516 10.477 ( 0.000 -1.674 0.000) 1.674 10.968 ( 0.000 5.318 0.000) 5.318 11.043 ( 0.000 0.273 0.000) 0.273 11.333 ( 0.000 -3.745 0.000) 3.745 11.446 ( 0.000 0.660 0.000) 0.660 11.868 ( 0.000 -4.284 0.000) 4.284 11.910 ( 0.000 -4.598 0.000) 4.598 11.968 ( 0.000 0.434 0.000) 0.434 12.089 ( 0.000 1.279 0.000) 1.279 12.330 ( 0.000 -0.365 0.000) 0.365 12.332 ( 0.000 -1.504 0.000) 1.504 12.509 ( 0.000 6.369 0.000) 6.369 13.241 ( 0.000 -4.719 0.000) 4.719 13.634 ( 0.000 8.509 0.000) 8.509 14.325 ( 0.000 -6.025 0.000) 6.025 14.581 ( 0.000 -4.525 0.000) 4.525 14.625 ( 0.000 7.797 0.000) 7.797 14.924 ( 0.000 0.606 0.000) 0.606 15.162 ( 0.000 -9.092 0.000) 9.092 15.308 ( 0.000 -3.907 0.000) 3.907 15.484 ( 0.000 6.950 0.000) 6.950 16.399 ( 0.000 1.375 0.000) 1.375 16.654 ( 0.000 -11.347 0.000) 11.347 17.381 ( 0.000 12.099 0.000) 12.099 18.033 ( 0.000 7.939 0.000) 7.939 18.270 ( 0.000 -5.388 0.000) 5.388 20.097 ( 0.000 9.240 0.000) 9.240 20.329 ( 0.000 -12.183 0.000) 12.183 21.527 ( 0.000 0.600 0.000) 0.600 21.757 ( 0.000 0.956 0.000) 0.956 22.068 ( 0.000 -1.848 0.000) 1.848 22.106 ( 0.000 2.168 0.000) 2.168 22.770 ( 0.000 -7.362 0.000) 7.362 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 15.212 17.597 10.123) 25.368 0.857 ( 19.337 20.690 5.809) 28.909 1.228 ( 18.292 30.002 8.656) 36.189 1.525 ( 3.675 11.994 -0.978) 12.583 1.737 ( 12.082 0.308 -3.679) 12.634 1.916 ( 15.176 5.939 -1.081) 16.333 2.150 ( 0.308 10.990 -9.124) 14.287 2.508 ( -2.954 -3.216 -3.564) 5.636 2.674 ( -8.593 -1.327 -6.816) 11.048 2.726 ( -8.888 0.843 0.574) 8.946 2.980 ( -10.955 5.862 4.265) 13.136 3.145 ( -4.334 1.794 8.984) 10.135 3.280 ( -3.468 -1.448 -3.854) 5.383 3.462 ( 0.278 -3.701 -2.543) 4.499 3.528 ( 7.317 5.371 1.515) 9.202 3.676 ( 4.309 -1.799 -1.548) 4.920 3.765 ( 10.253 0.731 8.035) 13.047 3.817 ( 6.239 6.609 1.708) 9.248 4.242 ( -5.369 -8.048 -5.802) 11.281 4.293 ( -2.476 -4.184 -7.132) 8.631 4.469 ( 1.066 -0.560 0.692) 1.388 4.508 ( -4.201 -7.999 -3.955) 9.863 4.881 ( -4.005 4.629 -1.520) 6.307 5.073 ( -8.882 -5.289 -5.718) 11.814 5.258 ( -14.671 1.412 -0.075) 14.739 5.455 ( -3.939 -4.194 4.079) 7.053 5.522 ( -4.222 -5.893 2.330) 7.614 5.610 ( -4.923 -0.091 5.487) 7.372 5.830 ( -0.416 -2.984 -3.220) 4.410 5.960 ( -13.279 1.544 8.670) 15.934 6.116 ( 0.816 -6.339 1.256) 6.514 6.347 ( -0.234 -2.926 -10.258) 10.670 6.400 ( -0.454 -6.074 -4.278) 7.443 6.468 ( -3.406 -6.204 -1.946) 7.340 6.591 ( -3.498 -4.657 3.539) 6.815 6.666 ( -1.026 -3.776 2.650) 4.726 6.810 ( 6.497 -6.747 -1.860) 9.550 6.907 ( -7.299 4.762 -2.759) 9.142 7.040 ( -1.737 3.591 3.937) 5.605 7.107 ( 5.886 -1.783 0.241) 6.154 7.172 ( 4.049 7.398 -2.051) 8.679 7.386 ( 6.123 -5.672 5.056) 9.759 7.489 ( 21.352 -11.947 -9.302) 26.176 7.602 ( 2.215 2.565 -1.341) 3.645 7.659 ( 1.653 0.202 -1.546) 2.272 7.750 ( 5.943 -4.850 -5.902) 9.679 7.924 ( 0.946 0.668 -1.209) 1.674 7.966 ( 3.970 -2.333 -6.052) 7.604 8.000 ( 2.519 3.357 4.128) 5.886 8.117 ( 1.801 -3.539 5.210) 6.551 8.164 ( 3.800 5.517 -1.886) 6.960 8.407 ( 6.749 6.551 5.029) 10.666 8.594 ( 1.308 12.333 2.792) 12.712 8.769 ( 5.496 1.411 -10.692) 12.104 8.897 ( 2.639 5.226 -0.339) 5.864 8.952 ( 7.402 5.300 -1.193) 9.181 9.250 ( 0.834 10.047 0.561) 10.097 9.533 ( 1.428 -1.158 0.424) 1.887 9.770 ( 1.040 -0.254 0.135) 1.079 9.980 ( -2.768 0.288 2.984) 4.080 10.095 ( 4.036 -2.836 2.220) 5.410 10.215 ( 1.302 2.570 0.620) 2.947 10.269 ( 1.122 1.886 -1.633) 2.735 10.491 ( -0.962 -1.156 4.675) 4.911 10.951 ( -1.107 4.877 -1.219) 5.148 11.028 ( -1.665 0.259 0.599) 1.788 11.333 ( 0.269 -2.614 -2.286) 3.482 11.421 ( -1.755 1.430 2.270) 3.205 11.786 ( -6.062 2.920 -4.805) 8.268 11.902 ( -1.844 -3.862 4.587) 6.273 11.985 ( -1.601 -3.321 6.590) 7.551 12.113 ( 2.918 2.740 -4.632) 6.122 12.228 ( -6.054 1.056 -11.146) 12.728 12.300 ( -4.153 -0.418 0.716) 4.235 12.444 ( -6.395 4.581 0.689) 7.896 12.697 ( -24.254 16.105 12.524) 31.693 13.711 ( 4.965 8.942 8.740) 13.453 14.368 ( -11.200 1.274 0.016) 11.272 14.513 ( 5.148 -5.273 -2.931) 7.930 14.813 ( -9.884 -0.364 6.660) 11.924 14.962 ( 11.683 -6.114 -32.393) 34.974 15.218 ( -1.665 -4.587 -2.774) 5.613 15.447 ( 11.019 -3.479 -12.201) 16.805 15.721 ( 21.600 -33.936 22.492) 46.088 16.525 ( 1.434 -6.499 15.018) 16.427 16.629 ( 6.086 -3.288 -5.814) 9.036 17.413 ( 3.641 11.963 0.138) 12.505 18.083 ( 11.987 18.050 -28.719) 35.976 18.486 ( 10.085 -17.506 30.246) 36.373 19.746 ( -13.740 12.004 -15.147) 23.713 20.619 ( 6.021 -13.833 25.768) 29.859 21.462 ( -9.824 0.752 -1.668) 9.993 21.745 ( -1.358 2.223 -0.563) 2.665 21.991 ( -10.206 1.493 -0.002) 10.315 22.100 ( -1.009 2.707 0.036) 2.889 22.297 ( -21.726 16.973 0.246) 27.571 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 6.623 31.773 4.059) 32.709 1.111 ( 15.729 9.360 17.910) 25.608 1.537 ( 1.302 12.386 -2.126) 12.634 1.730 ( 16.999 -0.492 4.898) 17.697 1.939 ( 8.280 10.061 -4.522) 13.793 2.180 ( 16.289 6.546 -6.810) 18.830 2.255 ( 19.590 7.531 -3.678) 21.308 2.416 ( -10.898 -4.255 -5.198) 12.802 2.467 ( -3.075 -1.645 -0.306) 3.501 2.526 ( -7.709 1.155 -4.137) 8.824 2.778 ( -12.284 6.082 5.210) 14.664 3.160 ( -5.310 -5.056 -2.504) 7.748 3.193 ( 0.150 0.692 13.325) 13.344 3.420 ( -4.633 -1.624 -5.077) 7.062 3.598 ( 2.861 -1.866 -1.933) 3.925 3.792 ( 2.561 4.309 -1.270) 5.171 3.935 ( 1.143 -3.396 4.904) 6.073 3.970 ( 7.907 -0.399 4.355) 9.036 4.093 ( -3.798 -2.288 -3.507) 5.653 4.155 ( -6.043 -3.176 -2.927) 7.428 4.367 ( -5.882 -3.886 -1.660) 7.242 4.488 ( 0.950 1.519 -7.517) 7.728 4.712 ( -10.482 6.456 -2.655) 12.594 4.886 ( -9.985 -2.139 -7.922) 12.924 5.033 ( -11.340 -2.543 1.262) 11.690 5.256 ( -12.520 -0.766 4.580) 13.353 5.494 ( -1.612 -4.466 0.415) 4.766 5.615 ( -1.729 -3.799 6.852) 8.023 5.732 ( -4.721 -6.329 5.029) 9.361 5.931 ( 3.890 -5.125 4.608) 7.914 6.159 ( 1.253 1.258 -0.353) 1.811 6.264 ( -1.585 -3.361 -3.249) 4.936 6.348 ( -1.514 -9.887 -7.974) 12.792 6.426 ( -1.736 -3.225 -2.777) 4.596 6.608 ( 1.270 -3.422 6.265) 7.251 6.678 ( -1.437 0.147 1.423) 2.028 6.765 ( -1.941 6.173 -7.966) 10.264 6.914 ( 5.203 0.079 -0.904) 5.281 7.029 ( -1.274 -0.514 2.322) 2.697 7.118 ( -1.367 5.260 -0.817) 5.496 7.296 ( 5.223 2.055 -4.132) 6.970 7.492 ( 2.894 4.295 2.186) 5.621 7.652 ( 4.518 -9.112 -7.726) 12.772 7.697 ( 5.897 -6.353 5.103) 10.059 7.725 ( 7.009 1.764 1.825) 7.454 7.842 ( 1.958 6.135 1.423) 6.595 7.959 ( 3.797 -4.637 0.273) 5.999 7.980 ( 4.408 -10.869 -3.541) 12.252 8.079 ( 1.231 -3.783 2.053) 4.476 8.215 ( 7.495 -5.218 0.803) 9.168 8.296 ( 7.680 3.881 1.522) 8.739 8.586 ( 7.080 4.305 5.712) 10.064 8.606 ( 0.800 11.668 -3.482) 12.203 8.763 ( 0.019 -3.294 -7.242) 7.956 8.933 ( 3.146 3.901 -1.324) 5.184 9.067 ( 5.914 12.430 -2.468) 13.984 9.273 ( 1.970 9.696 -2.315) 10.161 9.579 ( 2.736 0.995 1.093) 3.110 9.818 ( 3.415 -0.687 1.096) 3.652 9.938 ( -3.193 0.386 2.306) 3.958 10.096 ( -1.996 2.015 -0.873) 2.968 10.246 ( 0.463 -2.097 -0.303) 2.168 10.314 ( 4.354 2.503 -1.011) 5.123 10.470 ( -3.585 0.474 2.820) 4.586 10.926 ( -0.932 3.733 -0.660) 3.904 11.004 ( -1.189 0.257 1.470) 1.908 11.306 ( -1.322 -0.686 -2.836) 3.203 11.444 ( 2.038 0.398 3.119) 3.747 11.626 ( -6.762 7.168 -5.456) 11.264 11.894 ( -3.299 -5.336 6.152) 8.787 11.973 ( -2.579 -3.367 3.007) 5.199 12.073 ( -2.872 2.312 -3.858) 5.337 12.126 ( -0.983 -0.066 -2.124) 2.342 12.211 ( -1.435 1.884 -7.230) 7.608 12.369 ( -5.177 2.261 8.943) 10.578 12.486 ( -9.904 4.963 5.151) 12.217 13.859 ( 1.197 5.826 9.148) 10.912 14.115 ( -10.628 6.208 1.200) 12.366 14.600 ( 4.761 1.957 -1.015) 5.247 14.666 ( -10.351 0.559 7.572) 12.837 14.901 ( 1.235 -1.352 -20.007) 20.091 15.122 ( -2.724 1.278 -10.141) 10.578 15.599 ( 12.287 -14.940 -5.109) 20.006 16.022 ( 2.208 -35.871 7.236) 36.660 16.469 ( -4.137 -10.569 -4.709) 12.288 16.943 ( 16.538 3.739 18.228) 24.895 17.497 ( 5.237 10.441 -1.614) 11.791 18.079 ( 5.521 29.254 -29.690) 42.045 18.810 ( 4.577 -20.063 21.895) 30.048 19.602 ( 5.079 2.098 1.633) 5.733 20.779 ( -0.779 -8.388 12.198) 14.824 21.067 ( -26.774 4.191 -2.820) 27.246 21.740 ( 1.964 2.862 0.096) 3.472 21.876 ( -1.246 1.644 0.396) 2.101 22.067 ( -2.178 3.760 -0.446) 4.368 22.160 ( -1.884 7.033 0.303) 7.287 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 5.436 20.008 0.990) 20.757 1.420 ( 3.655 12.464 8.341) 15.437 1.629 ( 11.304 12.305 12.126) 20.646 1.915 ( 4.472 7.699 -5.518) 10.475 1.984 ( 3.047 6.302 -9.843) 12.079 2.046 ( -14.247 1.455 -5.943) 15.505 2.318 ( -1.767 -3.151 -4.056) 5.431 2.347 ( -5.486 -0.614 4.619) 7.198 2.457 ( -2.824 -1.962 -2.666) 4.351 2.739 ( 17.329 4.504 2.203) 18.040 2.855 ( 16.746 3.582 3.720) 17.524 3.088 ( 2.314 -5.448 2.371) 6.377 3.252 ( -7.926 0.584 -4.546) 9.155 3.333 ( 5.045 -2.331 12.708) 13.870 3.490 ( -14.219 -2.763 -6.278) 15.787 3.606 ( -13.182 -4.849 -6.749) 15.583 3.940 ( 0.423 -0.623 -0.686) 1.019 4.098 ( 3.868 -1.730 0.837) 4.320 4.129 ( 7.959 -2.028 -2.142) 8.488 4.177 ( 2.815 -3.583 7.576) 8.841 4.297 ( -3.540 1.281 3.114) 4.886 4.405 ( -4.239 1.123 -8.900) 9.922 4.492 ( -10.705 1.291 0.301) 10.787 4.685 ( -4.265 8.434 -4.619) 10.520 4.903 ( -2.957 2.658 -0.198) 3.981 5.125 ( -3.909 1.335 1.699) 4.466 5.480 ( -0.413 -5.771 0.380) 5.798 5.616 ( -0.657 -9.154 1.589) 9.314 5.741 ( 0.007 -6.432 5.132) 8.229 6.036 ( 3.541 -8.540 2.256) 9.516 6.163 ( 0.727 7.112 -2.133) 7.460 6.249 ( -0.267 -3.224 1.608) 3.613 6.294 ( -0.962 -12.662 -0.107) 12.699 6.352 ( -2.519 -4.063 -6.348) 7.947 6.618 ( -2.185 7.222 -1.315) 7.659 6.679 ( 0.799 -2.230 8.213) 8.548 6.744 ( 2.138 3.245 -8.374) 9.232 6.982 ( 0.297 7.770 4.006) 8.747 7.010 ( 1.180 0.042 -3.592) 3.781 7.085 ( -2.165 3.735 0.557) 4.352 7.304 ( 0.414 -0.963 -3.190) 3.358 7.547 ( 1.755 3.754 1.651) 4.461 7.659 ( 1.135 -3.522 -5.826) 6.902 7.771 ( 1.803 -0.516 3.636) 4.092 7.819 ( -1.219 6.984 -0.730) 7.127 7.981 ( 5.411 -9.373 4.664) 11.785 8.014 ( 5.091 -11.766 5.263) 13.859 8.043 ( 2.653 -7.997 -0.501) 8.441 8.122 ( 2.703 -4.199 2.041) 5.395 8.251 ( -2.896 -5.742 -6.487) 9.134 8.463 ( 7.190 2.294 3.328) 8.249 8.568 ( -0.797 7.678 -2.306) 8.056 8.668 ( -3.113 -3.273 -3.285) 5.585 8.731 ( 2.072 6.830 0.157) 7.139 9.010 ( 4.622 4.710 2.404) 7.023 9.097 ( -1.620 9.565 -2.906) 10.127 9.317 ( 3.715 8.685 -2.457) 9.760 9.622 ( 0.850 3.785 1.057) 4.021 9.866 ( -0.496 1.021 2.140) 2.423 9.918 ( 1.093 0.112 -0.516) 1.214 10.060 ( -0.951 2.409 -0.527) 2.643 10.245 ( -0.004 -1.993 -0.430) 2.039 10.373 ( 2.220 1.532 -0.898) 2.843 10.419 ( -2.498 2.832 1.242) 3.975 10.912 ( -0.295 3.188 -0.259) 3.212 11.004 ( 0.129 -0.077 0.843) 0.857 11.259 ( -1.808 0.832 -1.320) 2.388 11.499 ( 1.108 1.911 -0.172) 2.215 11.525 ( -0.920 2.630 -0.876) 2.920 11.844 ( -3.701 -0.765 2.611) 4.594 11.945 ( -1.489 -3.016 0.695) 3.434 12.031 ( -0.514 -3.108 0.289) 3.164 12.147 ( 2.243 -0.259 2.748) 3.556 12.176 ( 3.045 2.450 -7.830) 8.751 12.290 ( -8.723 1.501 4.024) 9.723 12.387 ( -2.215 2.837 1.800) 4.024 13.751 ( -7.185 -1.299 0.076) 7.302 14.162 ( 5.235 15.914 5.140) 17.523 14.531 ( -6.843 -0.952 2.777) 7.446 14.663 ( 1.902 8.813 1.600) 9.157 14.808 ( -0.789 1.873 -10.345) 10.543 15.050 ( -0.322 -2.568 -3.795) 4.594 15.808 ( 11.846 -22.215 -2.169) 25.269 15.987 ( -7.379 -31.558 2.802) 32.530 16.378 ( -2.469 -9.125 -2.413) 9.756 17.330 ( 11.175 3.015 15.904) 19.671 17.562 ( 2.546 10.333 -1.465) 10.742 17.934 ( -3.109 38.258 -19.694) 43.141 18.901 ( -1.157 -22.429 6.632) 23.418 19.925 ( 21.378 -7.202 11.950) 25.528 20.485 ( -24.832 4.859 -12.131) 28.061 20.855 ( -1.949 -3.156 6.275) 7.290 21.790 ( 2.273 0.137 0.129) 2.281 21.877 ( 0.235 -1.219 0.060) 1.243 22.028 ( -1.399 4.832 -0.262) 5.037 22.141 ( -0.551 6.637 0.106) 6.661 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 10.530 0.000) 10.530 1.096 ( 0.000 23.750 0.000) 23.750 1.570 ( 0.000 -2.933 0.000) 2.933 1.646 ( 0.000 4.686 0.000) 4.686 1.971 ( 0.000 16.018 0.000) 16.018 2.119 ( 0.000 38.504 0.000) 38.504 2.454 ( 0.000 7.261 0.000) 7.261 2.564 ( 0.000 5.269 0.000) 5.269 2.686 ( 0.000 5.240 0.000) 5.240 2.944 ( 0.000 4.661 0.000) 4.661 3.090 ( 0.000 -9.944 0.000) 9.944 3.190 ( 0.000 1.389 0.000) 1.389 3.386 ( 0.000 -9.779 0.000) 9.779 3.388 ( 0.000 10.496 0.000) 10.496 3.611 ( 0.000 0.717 0.000) 0.717 3.626 ( 0.000 10.384 0.000) 10.384 3.714 ( 0.000 15.745 0.000) 15.745 3.945 ( 0.000 7.598 0.000) 7.598 4.094 ( 0.000 -11.064 0.000) 11.064 4.222 ( 0.000 -2.429 0.000) 2.429 4.406 ( 0.000 -9.639 0.000) 9.639 4.474 ( 0.000 5.574 0.000) 5.574 4.954 ( 0.000 4.056 0.000) 4.056 5.058 ( 0.000 -12.527 0.000) 12.527 5.253 ( 0.000 -8.104 0.000) 8.104 5.316 ( 0.000 -11.562 0.000) 11.562 5.573 ( 0.000 -3.534 0.000) 3.534 5.749 ( 0.000 -8.848 0.000) 8.848 5.786 ( 0.000 5.032 0.000) 5.032 5.940 ( 0.000 4.491 0.000) 4.491 6.050 ( 0.000 -7.463 0.000) 7.463 6.259 ( 0.000 1.549 0.000) 1.549 6.277 ( 0.000 -9.601 0.000) 9.601 6.302 ( 0.000 -16.697 0.000) 16.697 6.461 ( 0.000 -11.891 0.000) 11.891 6.572 ( 0.000 -14.627 0.000) 14.627 6.610 ( 0.000 -17.190 0.000) 17.190 6.831 ( 0.000 -0.297 0.000) 0.297 6.839 ( 0.000 1.419 0.000) 1.419 7.125 ( 0.000 14.603 0.000) 14.603 7.195 ( 0.000 -10.881 0.000) 10.881 7.254 ( 0.000 6.187 0.000) 6.187 7.365 ( 0.000 0.770 0.000) 0.770 7.607 ( 0.000 -2.846 0.000) 2.846 7.641 ( 0.000 2.496 0.000) 2.496 7.669 ( 0.000 5.378 0.000) 5.378 7.798 ( 0.000 -9.673 0.000) 9.673 7.876 ( 0.000 -2.300 0.000) 2.300 8.013 ( 0.000 2.745 0.000) 2.745 8.188 ( 0.000 8.468 0.000) 8.468 8.484 ( 0.000 13.732 0.000) 13.732 8.484 ( 0.000 7.567 0.000) 7.567 8.686 ( 0.000 -4.710 0.000) 4.710 8.906 ( 0.000 8.640 0.000) 8.640 8.944 ( 0.000 13.724 0.000) 13.724 9.153 ( 0.000 17.108 0.000) 17.108 9.464 ( 0.000 -3.727 0.000) 3.727 9.469 ( 0.000 11.244 0.000) 11.244 9.774 ( 0.000 1.050 0.000) 1.050 9.956 ( 0.000 -0.951 0.000) 0.951 10.085 ( 0.000 3.212 0.000) 3.212 10.309 ( 0.000 2.650 0.000) 2.650 10.352 ( 0.000 6.781 0.000) 6.781 10.446 ( 0.000 -0.878 0.000) 0.878 11.060 ( 0.000 1.314 0.000) 1.314 11.090 ( 0.000 5.494 0.000) 5.494 11.262 ( 0.000 -2.693 0.000) 2.693 11.486 ( 0.000 3.678 0.000) 3.678 11.762 ( 0.000 -5.690 0.000) 5.690 11.834 ( 0.000 -2.533 0.000) 2.533 11.960 ( 0.000 -1.338 0.000) 1.338 12.065 ( 0.000 -3.320 0.000) 3.320 12.281 ( 0.000 -3.397 0.000) 3.397 12.337 ( 0.000 0.033 0.000) 0.033 12.607 ( 0.000 3.165 0.000) 3.165 13.110 ( 0.000 -7.584 0.000) 7.584 13.825 ( 0.000 7.340 0.000) 7.340 14.182 ( 0.000 -8.328 0.000) 8.328 14.488 ( 0.000 -2.015 0.000) 2.015 14.723 ( 0.000 0.386 0.000) 0.386 14.916 ( 0.000 -1.419 0.000) 1.419 15.044 ( 0.000 -1.327 0.000) 1.327 15.302 ( 0.000 4.017 0.000) 4.017 15.655 ( 0.000 8.127 0.000) 8.127 16.390 ( 0.000 -2.269 0.000) 2.269 16.439 ( 0.000 -5.002 0.000) 5.002 17.615 ( 0.000 6.447 0.000) 6.447 18.172 ( 0.000 -0.722 0.000) 0.722 18.236 ( 0.000 10.617 0.000) 10.617 19.963 ( 0.000 -23.281 0.000) 23.281 20.361 ( 0.000 15.969 0.000) 15.969 21.534 ( 0.000 -0.162 0.000) 0.162 21.763 ( 0.000 -0.513 0.000) 0.513 22.009 ( 0.000 -4.045 0.000) 4.045 22.169 ( 0.000 3.557 0.000) 3.557 22.584 ( 0.000 -9.782 0.000) 9.782 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 27.494 7.785 1.385) 28.609 1.176 ( 6.168 17.450 9.414) 20.765 1.682 ( 6.081 4.215 -4.145) 8.481 1.687 ( 9.870 5.686 2.616) 11.687 2.073 ( 9.287 9.387 -2.020) 13.358 2.131 ( 0.716 33.078 4.620) 33.406 2.415 ( -0.594 3.331 -9.022) 9.636 2.530 ( -4.377 14.616 -1.088) 15.297 2.629 ( -1.640 2.107 -5.662) 6.260 2.809 ( -11.422 4.648 -1.266) 12.397 3.059 ( -6.412 -4.810 2.777) 8.483 3.141 ( -6.569 1.492 3.094) 7.413 3.258 ( -7.010 1.288 1.787) 7.348 3.385 ( -2.791 -2.396 0.885) 3.784 3.600 ( 0.853 0.946 -2.640) 2.932 3.751 ( 7.824 8.511 3.173) 11.988 3.792 ( 3.928 3.317 3.671) 6.317 3.998 ( 0.756 -4.557 1.107) 4.750 4.030 ( 0.722 5.637 -5.457) 7.879 4.238 ( -2.552 -3.612 0.162) 4.426 4.312 ( -5.121 -8.930 -0.489) 10.306 4.530 ( 4.811 5.176 -3.058) 7.700 4.897 ( -9.751 -10.895 2.043) 14.764 4.981 ( -3.698 4.025 0.853) 5.532 5.131 ( -13.401 -11.683 -3.232) 18.070 5.331 ( 2.992 -8.301 0.250) 8.827 5.453 ( -9.300 -2.106 -3.007) 9.998 5.635 ( -0.585 1.983 3.743) 4.276 5.736 ( -15.003 -1.469 0.377) 15.080 5.904 ( -3.175 -5.322 5.724) 8.436 6.070 ( 2.967 -5.305 -7.904) 9.971 6.207 ( -1.077 -5.329 -2.521) 5.993 6.308 ( 2.093 -1.441 -6.517) 6.995 6.353 ( 1.123 -7.290 4.224) 8.500 6.513 ( -3.815 -5.224 3.818) 7.512 6.552 ( 11.340 -11.865 -6.466) 17.640 6.619 ( -1.464 -3.264 3.387) 4.926 6.865 ( 11.145 -14.631 -4.252) 18.878 6.989 ( 4.145 -6.960 1.508) 8.240 7.165 ( 4.100 5.120 1.826) 6.809 7.200 ( -1.891 7.659 3.856) 8.781 7.336 ( 4.173 1.974 -2.203) 5.115 7.417 ( 10.772 -1.492 5.307) 12.101 7.584 ( -1.065 -2.277 0.543) 2.572 7.653 ( 0.546 1.190 1.151) 1.743 7.718 ( 3.826 0.027 -2.781) 4.730 7.793 ( 0.273 -8.610 -2.302) 8.917 7.954 ( 5.492 -1.065 3.022) 6.358 8.018 ( 0.475 1.060 -1.465) 1.870 8.187 ( 0.597 6.775 -0.288) 6.807 8.377 ( -3.069 9.920 -3.952) 11.110 8.575 ( 2.773 7.898 6.321) 10.489 8.718 ( 4.428 -2.979 -6.904) 8.726 8.864 ( -0.725 12.321 3.998) 12.974 9.087 ( 1.759 10.041 -3.025) 10.633 9.149 ( 8.514 13.034 -3.060) 15.867 9.436 ( -0.616 3.739 1.114) 3.950 9.541 ( 4.266 6.028 1.196) 7.481 9.787 ( 1.234 1.563 0.949) 2.206 9.942 ( -1.500 -1.790 0.010) 2.335 10.111 ( 2.373 2.348 -0.449) 3.368 10.305 ( -1.118 3.749 2.213) 4.495 10.347 ( 1.099 5.241 -2.443) 5.886 10.464 ( -0.585 -0.724 4.974) 5.061 11.042 ( -2.444 1.653 1.762) 3.437 11.068 ( -1.246 5.103 -2.162) 5.680 11.278 ( 1.128 -2.135 0.884) 2.572 11.470 ( -0.286 3.723 -2.636) 4.570 11.746 ( -1.433 -4.853 -0.988) 5.156 11.824 ( -2.972 -2.366 4.147) 5.624 11.936 ( -2.838 -2.590 3.704) 5.337 12.081 ( 2.372 -4.152 -6.916) 8.408 12.248 ( -4.394 -2.228 -1.385) 5.118 12.292 ( -2.658 0.852 0.815) 2.908 12.527 ( -6.368 3.321 -4.237) 8.338 12.874 ( -19.003 1.952 2.701) 19.293 13.899 ( 4.255 6.192 8.072) 11.027 14.299 ( 8.186 -12.537 -3.545) 15.387 14.419 ( -6.142 3.056 2.025) 7.153 14.768 ( -4.331 -3.402 -6.018) 8.158 14.828 ( 6.227 -5.027 -8.901) 11.970 15.192 ( 1.104 2.505 15.954) 16.188 15.319 ( 5.522 -3.152 1.480) 6.528 15.637 ( 0.990 10.526 -11.646) 15.729 16.308 ( -6.074 -9.307 4.594) 12.025 16.594 ( 11.214 -2.249 6.353) 13.084 17.634 ( 2.390 5.213 -1.230) 5.865 18.233 ( 5.865 -0.356 1.213) 6.000 18.407 ( 15.253 9.175 4.607) 18.387 19.740 ( -12.154 -13.233 -18.904) 26.081 20.510 ( 5.096 4.540 17.659) 18.932 21.467 ( -8.357 -0.290 -2.541) 8.739 21.764 ( 0.224 -0.139 -0.087) 0.277 21.952 ( -5.762 -3.667 -0.060) 6.830 22.173 ( 0.181 3.953 0.217) 3.963 22.421 ( -11.560 -1.159 -2.850) 11.962 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.258 11.638 9.155) 16.954 1.529 ( 17.906 8.035 2.793) 19.824 1.824 ( 10.285 12.788 2.560) 16.609 1.858 ( 5.353 15.098 2.721) 16.249 2.177 ( -0.181 7.574 -0.730) 7.611 2.211 ( 4.226 -0.605 -0.579) 4.308 2.357 ( -3.238 7.004 -9.970) 12.607 2.483 ( 9.767 9.779 -8.848) 16.410 2.567 ( -12.419 5.709 -2.851) 13.963 2.639 ( 6.339 14.415 0.938) 15.775 2.872 ( -11.831 0.821 2.820) 12.190 3.041 ( -5.599 -3.760 -0.484) 6.762 3.202 ( -2.267 -0.421 9.108) 9.395 3.332 ( -3.263 -5.758 -2.933) 7.239 3.574 ( -4.594 -2.877 1.749) 5.696 3.724 ( -7.267 -5.530 -2.879) 9.575 3.920 ( 4.292 -0.595 2.110) 4.819 4.006 ( 0.720 -3.533 -2.821) 4.579 4.038 ( -6.835 0.116 -3.409) 7.639 4.121 ( 4.080 5.030 3.057) 7.162 4.309 ( -0.814 -2.990 2.227) 3.816 4.554 ( -2.279 3.286 -5.574) 6.860 4.691 ( -12.141 -6.767 0.069) 13.900 4.856 ( -7.008 -8.505 5.318) 12.237 4.974 ( -2.862 3.444 -4.596) 6.417 5.235 ( -10.609 -0.280 -0.387) 10.620 5.388 ( 3.140 -6.243 -1.658) 7.182 5.558 ( -5.378 -0.105 4.058) 6.738 5.683 ( -1.190 2.105 1.331) 2.760 5.820 ( -2.914 -4.171 5.891) 7.784 6.035 ( -0.921 -11.098 -5.684) 12.503 6.193 ( 2.278 -3.098 -9.337) 10.098 6.297 ( 0.563 3.138 -2.914) 4.319 6.394 ( -0.860 -1.921 3.426) 4.021 6.510 ( 1.643 -5.472 4.487) 7.265 6.693 ( 4.535 1.056 2.178) 5.141 6.702 ( 8.045 -8.766 -7.299) 13.959 6.960 ( -0.913 -4.479 -1.683) 4.871 7.001 ( 3.648 1.676 3.509) 5.332 7.238 ( 0.179 3.921 0.423) 3.947 7.296 ( 5.050 -10.574 2.804) 12.049 7.370 ( 3.931 3.021 -3.728) 6.203 7.575 ( 3.219 -3.643 9.869) 11.001 7.661 ( 1.357 2.456 -1.058) 2.999 7.696 ( 5.955 -7.255 0.455) 9.397 7.773 ( 4.772 -7.244 -0.090) 8.675 7.777 ( 0.503 -1.455 -5.852) 6.051 8.000 ( -1.277 -1.728 6.133) 6.499 8.067 ( 5.369 1.853 -1.949) 6.005 8.192 ( 0.238 4.074 -3.775) 5.559 8.376 ( 2.880 3.510 2.314) 5.096 8.653 ( 2.874 3.546 1.464) 4.793 8.717 ( -2.158 -0.430 -2.214) 3.121 8.919 ( 4.264 15.711 -3.410) 16.633 9.044 ( 0.700 6.038 -1.091) 6.176 9.323 ( 6.571 12.071 0.084) 13.744 9.443 ( 1.711 6.187 -1.921) 6.701 9.626 ( 5.149 3.634 -1.878) 6.576 9.831 ( 2.549 1.554 1.794) 3.483 9.917 ( -1.202 -0.756 1.326) 1.943 10.132 ( -0.069 1.957 -0.692) 2.077 10.295 ( -1.334 3.959 1.605) 4.476 10.370 ( 1.470 1.726 -1.807) 2.899 10.476 ( -0.271 2.079 4.853) 5.287 11.001 ( -2.378 2.297 0.712) 3.381 11.036 ( -1.519 3.547 0.172) 3.862 11.292 ( 0.126 -0.433 -1.583) 1.646 11.476 ( 2.600 2.574 -1.402) 3.918 11.688 ( -3.930 -0.818 -3.099) 5.071 11.790 ( -2.811 -3.576 6.032) 7.555 11.910 ( -2.265 -3.459 2.542) 4.853 12.022 ( -4.085 -4.775 -5.910) 8.626 12.151 ( -3.448 -0.665 -0.949) 3.637 12.268 ( -0.172 2.586 -4.312) 5.031 12.407 ( -4.459 2.139 3.258) 5.922 12.588 ( -14.145 4.116 3.398) 15.118 13.948 ( -8.112 2.187 4.221) 9.402 14.264 ( 0.746 2.047 2.404) 3.244 14.500 ( 7.951 -7.385 0.224) 10.853 14.707 ( -1.164 1.318 -0.579) 1.851 14.825 ( 0.691 -3.082 -11.253) 11.688 15.223 ( -1.650 5.112 10.012) 11.363 15.467 ( 4.862 -8.368 -2.321) 9.952 15.552 ( -2.434 6.247 -8.126) 10.535 16.228 ( -4.581 -11.663 0.735) 12.552 16.917 ( 16.330 -6.272 13.817) 22.292 17.680 ( 3.398 2.590 -1.983) 4.710 18.371 ( 8.471 1.972 -1.434) 8.815 18.715 ( 10.067 11.433 2.678) 15.467 19.452 ( -4.367 -15.861 -10.736) 19.644 20.674 ( 2.544 -0.617 12.455) 12.727 21.140 ( -23.248 2.690 -4.862) 23.902 21.775 ( 1.081 0.512 0.196) 1.212 21.866 ( -2.552 -1.826 0.152) 3.142 22.165 ( -1.062 4.992 -0.624) 5.141 22.278 ( -2.853 3.449 -0.821) 4.551 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 6.260 10.671 3.946) 12.986 1.762 ( 5.824 17.901 8.602) 20.697 1.931 ( 3.334 11.113 -4.684) 12.513 2.021 ( 5.140 7.423 7.597) 11.800 2.123 ( -6.005 8.685 -8.354) 13.464 2.178 ( 1.556 -1.504 -1.020) 2.393 2.250 ( -4.366 9.308 -3.460) 10.848 2.373 ( -2.511 1.186 -2.291) 3.600 2.488 ( -7.320 5.338 -2.793) 9.480 2.866 ( 6.879 6.305 -0.031) 9.331 2.915 ( 9.862 1.864 -0.890) 10.076 2.997 ( 9.642 -2.725 5.570) 11.464 3.227 ( -3.871 -2.376 0.735) 4.601 3.276 ( 3.790 -3.422 4.343) 6.704 3.430 ( -9.439 -7.652 -1.326) 12.223 3.462 ( -18.444 -2.388 -5.852) 19.497 3.930 ( 2.297 -1.961 -3.239) 4.429 3.993 ( 0.661 -7.647 1.659) 7.853 4.060 ( 3.149 -1.230 1.761) 3.812 4.199 ( 1.035 1.139 2.121) 2.621 4.270 ( -6.758 -1.641 2.323) 7.332 4.381 ( -5.245 -2.667 -5.618) 8.136 4.548 ( -3.046 3.652 0.227) 4.760 4.811 ( -2.586 -3.089 1.544) 4.314 4.972 ( 3.807 -0.982 -1.417) 4.179 5.095 ( -4.607 5.124 -0.095) 6.891 5.419 ( 0.942 1.150 -0.518) 1.574 5.547 ( -0.222 -3.043 5.455) 6.250 5.601 ( -3.868 -0.667 -2.243) 4.520 5.897 ( 4.264 -6.598 3.587) 8.636 5.979 ( -2.310 -9.397 -3.664) 10.347 6.186 ( 1.966 -4.707 -5.407) 7.433 6.298 ( 0.952 3.047 -0.250) 3.202 6.364 ( -3.300 4.524 1.479) 5.792 6.577 ( 1.835 -6.622 2.331) 7.256 6.736 ( 0.845 1.993 -0.945) 2.362 6.765 ( 2.317 -1.541 -2.415) 3.685 6.981 ( 1.672 -1.630 0.458) 2.379 7.076 ( 1.719 3.484 4.295) 5.791 7.216 ( -1.389 4.760 -0.999) 5.059 7.299 ( -0.174 -0.852 -3.493) 3.600 7.473 ( 3.593 -8.955 2.324) 9.925 7.619 ( -1.492 -10.937 1.751) 11.176 7.678 ( 1.448 -0.133 -2.991) 3.325 7.729 ( -0.176 -4.905 -4.857) 6.905 7.821 ( 2.210 -6.604 3.158) 7.646 7.872 ( 5.823 -6.404 7.192) 11.253 8.035 ( -0.675 3.088 5.003) 5.918 8.124 ( 2.217 4.950 -4.757) 7.214 8.150 ( -1.303 -2.560 -4.802) 5.596 8.473 ( 5.405 -0.690 4.001) 6.760 8.605 ( -5.538 -1.509 -3.850) 6.911 8.712 ( 0.564 6.947 1.877) 7.219 8.916 ( 0.277 8.785 -4.446) 9.849 9.155 ( 6.377 8.782 7.111) 12.975 9.312 ( -4.146 10.679 -5.663) 12.779 9.503 ( 3.732 9.017 -1.331) 9.849 9.699 ( 2.922 2.753 -0.775) 4.089 9.883 ( 0.722 1.303 2.513) 2.921 9.917 ( 0.814 0.185 -0.325) 0.896 10.116 ( -0.793 2.773 -0.173) 2.890 10.274 ( -1.230 0.939 0.344) 1.585 10.354 ( -1.093 1.273 -0.680) 1.810 10.523 ( 1.729 5.892 1.767) 6.390 10.979 ( 0.038 2.700 -0.669) 2.782 11.012 ( -1.538 1.170 1.336) 2.349 11.275 ( -0.414 0.940 -1.289) 1.648 11.521 ( 2.144 0.765 -1.153) 2.552 11.597 ( -2.928 3.346 -1.741) 4.775 11.815 ( 1.664 -2.575 5.007) 5.871 11.884 ( -2.073 -3.585 1.930) 4.569 11.916 ( -3.306 -6.132 -3.903) 7.985 12.131 ( 0.176 -2.207 2.827) 3.591 12.246 ( 3.304 3.097 -9.146) 10.205 12.330 ( -9.139 2.346 5.296) 10.820 12.444 ( -2.001 3.067 1.937) 4.143 13.769 ( -7.077 2.591 -0.491) 7.552 14.371 ( 4.639 -4.590 2.501) 6.989 14.604 ( 0.800 6.800 5.007) 8.482 14.687 ( 0.842 -3.079 -4.540) 5.550 14.770 ( -0.759 -1.656 -3.627) 4.059 15.271 ( -0.154 18.311 7.764) 19.889 15.434 ( 1.935 -1.581 -14.435) 14.650 15.518 ( -2.584 -15.827 5.089) 16.824 16.161 ( -2.255 -11.568 -0.244) 11.788 17.253 ( 9.466 -10.152 8.589) 16.323 17.724 ( 2.032 0.191 -1.079) 2.309 18.504 ( 8.020 5.690 -3.913) 10.583 18.663 ( -10.010 13.456 -2.428) 16.946 19.562 ( 11.220 -23.428 2.611) 26.107 20.668 ( -11.805 8.895 -5.352) 15.720 20.789 ( -3.982 -1.626 5.796) 7.217 21.801 ( 1.257 0.496 0.101) 1.355 21.842 ( -0.731 -1.824 0.018) 1.965 22.142 ( -0.703 5.440 -0.475) 5.506 22.257 ( -0.198 4.113 0.043) 4.118 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 4.932 0.000) 4.932 1.380 ( 0.000 -12.059 0.000) 12.059 1.527 ( 0.000 18.104 0.000) 18.104 1.772 ( 0.000 6.527 0.000) 6.527 2.242 ( 0.000 7.474 0.000) 7.474 2.441 ( 0.000 0.164 0.000) 0.164 2.463 ( 0.000 -5.839 0.000) 5.839 2.861 ( 0.000 13.384 0.000) 13.384 2.968 ( 0.000 10.906 0.000) 10.906 2.987 ( 0.000 7.413 0.000) 7.413 3.031 ( 0.000 8.263 0.000) 8.263 3.119 ( 0.000 -7.007 0.000) 7.007 3.300 ( 0.000 1.872 0.000) 1.872 3.617 ( 0.000 10.910 0.000) 10.910 3.698 ( 0.000 7.043 0.000) 7.043 3.805 ( 0.000 0.517 0.000) 0.517 3.854 ( 0.000 -1.330 0.000) 1.330 3.981 ( 0.000 0.759 0.000) 0.759 4.084 ( 0.000 8.838 0.000) 8.838 4.232 ( 0.000 -3.161 0.000) 3.161 4.345 ( 0.000 11.942 0.000) 11.942 4.602 ( 0.000 5.152 0.000) 5.152 4.750 ( 0.000 -17.592 0.000) 17.592 5.036 ( 0.000 -2.040 0.000) 2.040 5.079 ( 0.000 -1.783 0.000) 1.783 5.124 ( 0.000 -4.375 0.000) 4.375 5.528 ( 0.000 -1.533 0.000) 1.533 5.590 ( 0.000 -4.527 0.000) 4.527 5.798 ( 0.000 -2.248 0.000) 2.248 5.918 ( 0.000 -5.751 0.000) 5.751 5.942 ( 0.000 -15.090 0.000) 15.090 6.022 ( 0.000 -14.465 0.000) 14.465 6.073 ( 0.000 2.705 0.000) 2.705 6.145 ( 0.000 -17.762 0.000) 17.762 6.328 ( 0.000 -7.860 0.000) 7.860 6.367 ( 0.000 7.282 0.000) 7.282 6.383 ( 0.000 -3.550 0.000) 3.550 6.806 ( 0.000 -0.834 0.000) 0.834 6.851 ( 0.000 -1.675 0.000) 1.675 6.955 ( 0.000 -10.165 0.000) 10.165 7.364 ( 0.000 -1.763 0.000) 1.763 7.384 ( 0.000 6.335 0.000) 6.335 7.462 ( 0.000 14.965 0.000) 14.965 7.515 ( 0.000 -6.025 0.000) 6.025 7.619 ( 0.000 -4.940 0.000) 4.940 7.741 ( 0.000 1.112 0.000) 1.112 7.772 ( 0.000 9.090 0.000) 9.090 7.853 ( 0.000 0.383 0.000) 0.383 8.024 ( 0.000 -1.985 0.000) 1.985 8.347 ( 0.000 5.960 0.000) 5.960 8.538 ( 0.000 -2.268 0.000) 2.268 8.599 ( 0.000 -3.039 0.000) 3.039 8.730 ( 0.000 9.689 0.000) 9.689 9.030 ( 0.000 2.708 0.000) 2.708 9.198 ( 0.000 10.555 0.000) 10.555 9.392 ( 0.000 -1.696 0.000) 1.696 9.482 ( 0.000 12.947 0.000) 12.947 9.687 ( 0.000 8.694 0.000) 8.694 9.809 ( 0.000 2.965 0.000) 2.965 9.959 ( 0.000 1.639 0.000) 1.639 10.146 ( 0.000 2.669 0.000) 2.669 10.347 ( 0.000 -0.615 0.000) 0.615 10.449 ( 0.000 1.739 0.000) 1.739 10.464 ( 0.000 3.919 0.000) 3.919 11.103 ( 0.000 3.181 0.000) 3.181 11.168 ( 0.000 2.157 0.000) 2.157 11.237 ( 0.000 0.489 0.000) 0.489 11.587 ( 0.000 5.001 0.000) 5.001 11.641 ( 0.000 -6.219 0.000) 6.219 11.812 ( 0.000 0.147 0.000) 0.147 11.926 ( 0.000 -1.268 0.000) 1.268 11.966 ( 0.000 -5.954 0.000) 5.954 12.204 ( 0.000 -3.672 0.000) 3.672 12.303 ( 0.000 -3.394 0.000) 3.394 12.664 ( 0.000 2.880 0.000) 2.880 12.951 ( 0.000 -7.496 0.000) 7.496 13.848 ( 0.000 -3.732 0.000) 3.732 13.988 ( 0.000 -9.913 0.000) 9.913 14.573 ( 0.000 8.714 0.000) 8.714 14.707 ( 0.000 -0.118 0.000) 0.118 14.878 ( 0.000 -2.066 0.000) 2.066 15.034 ( 0.000 -1.809 0.000) 1.809 15.453 ( 0.000 9.533 0.000) 9.533 15.691 ( 0.000 -3.325 0.000) 3.325 16.340 ( 0.000 -1.087 0.000) 1.087 16.596 ( 0.000 15.967 0.000) 15.967 17.573 ( 0.000 -4.691 0.000) 4.691 18.327 ( 0.000 12.834 0.000) 12.834 18.408 ( 0.000 4.532 0.000) 4.532 19.404 ( 0.000 -30.063 0.000) 30.063 20.720 ( 0.000 18.375 0.000) 18.375 21.505 ( 0.000 -3.252 0.000) 3.252 21.744 ( 0.000 -0.985 0.000) 0.985 21.899 ( 0.000 -6.491 0.000) 6.491 22.235 ( 0.000 2.721 0.000) 2.721 22.410 ( 0.000 -6.486 0.000) 6.486 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 25.119 2.767 2.822) 25.428 1.482 ( 2.496 7.513 0.285) 7.922 1.597 ( 14.726 -3.219 2.421) 15.267 1.865 ( 7.881 9.530 2.591) 12.635 2.241 ( -0.614 -0.265 0.017) 0.669 2.379 ( -1.038 3.527 -8.007) 8.810 2.524 ( 3.274 0.278 0.866) 3.398 2.823 ( -5.217 11.961 -6.043) 14.381 2.911 ( -2.062 12.720 -0.839) 12.914 2.935 ( -3.021 11.909 -3.333) 12.731 2.988 ( -6.108 4.105 7.312) 10.374 3.078 ( -4.970 -7.528 -2.005) 9.241 3.245 ( -5.028 1.573 1.130) 5.388 3.493 ( -13.004 9.366 2.664) 16.246 3.674 ( -5.604 2.914 -0.072) 6.317 3.817 ( -3.168 6.325 0.676) 7.107 3.838 ( -0.785 -5.104 1.188) 5.299 3.933 ( -0.373 -2.300 -0.203) 2.338 4.128 ( 0.392 -2.216 1.934) 2.967 4.184 ( -2.487 3.080 -3.169) 5.071 4.311 ( -2.845 9.653 3.187) 10.556 4.633 ( -6.695 -8.232 7.492) 12.989 4.642 ( -0.014 -2.312 -3.613) 4.289 4.878 ( -11.655 -7.924 -8.772) 16.600 5.073 ( -2.497 -0.343 -0.784) 2.639 5.199 ( 7.171 -0.285 -0.847) 7.226 5.430 ( -6.673 0.030 1.854) 6.925 5.618 ( -1.423 -1.679 0.275) 2.218 5.771 ( -9.245 -1.890 5.266) 10.806 5.813 ( -0.030 -1.563 0.983) 1.847 5.924 ( -2.967 -6.614 -3.374) 7.996 6.046 ( 4.962 -6.790 -6.737) 10.776 6.160 ( 8.608 -8.636 -6.417) 13.779 6.202 ( 7.703 -15.254 -2.039) 17.209 6.413 ( 5.013 -3.801 2.459) 6.755 6.431 ( 7.162 -10.037 4.636) 13.174 6.512 ( 7.015 7.257 2.719) 10.453 6.685 ( -0.930 -1.662 -4.942) 5.297 6.938 ( 5.011 -1.322 -0.490) 5.206 7.109 ( 7.970 -9.121 5.793) 13.427 7.298 ( -3.433 1.989 0.564) 4.008 7.410 ( 0.557 3.365 1.117) 3.589 7.451 ( -0.840 2.122 1.211) 2.583 7.540 ( -0.341 -0.748 7.830) 7.873 7.608 ( 0.524 -4.587 -1.632) 4.896 7.728 ( -1.755 3.539 -3.064) 5.000 7.779 ( 2.223 3.877 2.520) 5.130 7.955 ( 7.340 2.621 1.018) 7.860 8.012 ( -0.413 -2.091 -2.636) 3.390 8.325 ( -0.783 5.841 -2.751) 6.504 8.473 ( -4.760 -0.137 0.767) 4.823 8.631 ( 3.199 -2.895 -4.189) 6.013 8.763 ( 1.899 7.477 2.348) 8.064 9.048 ( 1.151 4.094 5.434) 6.901 9.281 ( 4.126 8.371 -0.621) 9.354 9.393 ( 2.179 7.851 -5.956) 10.093 9.455 ( 3.182 4.310 -2.474) 5.901 9.736 ( 2.099 7.698 0.395) 7.989 9.821 ( 0.747 2.385 1.439) 2.884 9.932 ( -1.608 0.716 -0.980) 2.015 10.165 ( 2.192 2.994 -0.909) 3.820 10.344 ( -1.314 -0.660 -0.065) 1.471 10.437 ( 0.624 4.284 -0.167) 4.333 10.491 ( 0.596 2.668 4.303) 5.098 11.089 ( -2.261 3.136 2.076) 4.388 11.149 ( -1.583 2.725 -0.816) 3.255 11.256 ( 1.262 0.130 2.095) 2.449 11.565 ( 0.109 4.673 -6.595) 8.083 11.629 ( -0.948 -6.353 -0.553) 6.448 11.811 ( -2.538 0.884 3.849) 4.695 11.870 ( -3.171 -3.724 1.272) 5.054 11.983 ( 0.862 -4.560 -4.624) 6.551 12.172 ( -4.457 -4.108 2.412) 6.524 12.282 ( -1.511 -2.265 0.851) 2.853 12.591 ( -5.552 3.225 -4.236) 7.692 12.841 ( -10.263 -3.901 -0.291) 10.983 13.897 ( 3.459 -4.625 3.790) 6.908 14.032 ( 4.047 -12.004 -1.573) 12.765 14.519 ( -6.660 4.137 -0.439) 7.853 14.735 ( -7.531 -3.967 -0.841) 8.553 14.796 ( 9.692 6.816 -2.342) 12.078 15.205 ( 8.598 -1.445 6.910) 11.125 15.425 ( -4.222 10.294 5.249) 12.302 15.723 ( 5.066 -3.270 -4.932) 7.790 16.295 ( -5.085 4.013 0.617) 6.507 16.625 ( 1.982 8.702 5.128) 10.294 17.567 ( 0.135 -6.041 -1.629) 6.258 18.381 ( 4.647 11.379 4.836) 13.209 18.555 ( 14.746 3.452 -0.888) 15.171 19.296 ( -6.929 -26.315 -13.153) 30.224 20.734 ( -1.289 14.603 7.863) 16.636 21.432 ( -8.515 -3.742 -1.697) 9.454 21.752 ( 0.898 -0.717 -0.222) 1.170 21.860 ( -3.295 -4.823 0.338) 5.851 22.243 ( 0.639 2.663 0.162) 2.744 22.362 ( -3.467 -3.231 -1.858) 5.090 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 6.752 6.988 3.290) 10.259 1.615 ( 21.249 3.769 1.017) 21.605 1.940 ( 14.945 -5.975 4.764) 16.785 2.045 ( 7.834 9.400 4.973) 13.208 2.190 ( -3.364 -3.143 -1.774) 4.933 2.359 ( 3.781 11.018 -6.973) 13.577 2.532 ( -3.240 -0.498 -6.225) 7.036 2.707 ( -2.689 19.776 -3.178) 20.210 2.772 ( -8.661 8.458 -2.870) 12.441 2.858 ( -8.547 3.413 0.202) 9.205 2.916 ( -1.708 5.768 -1.405) 6.178 3.016 ( 1.441 1.814 1.989) 3.053 3.177 ( -2.491 -0.567 2.048) 3.274 3.266 ( -10.542 1.097 2.609) 10.915 3.495 ( -12.715 -0.996 2.954) 13.092 3.697 ( -11.027 -3.919 -1.157) 11.760 3.841 ( 1.471 -0.736 -0.096) 1.647 3.876 ( -4.182 -7.208 -2.466) 8.691 4.134 ( -2.322 -2.401 0.270) 3.351 4.152 ( -1.587 -0.270 3.229) 3.608 4.313 ( 2.875 7.228 1.476) 7.918 4.463 ( -11.595 -9.863 0.002) 15.223 4.609 ( -7.739 -3.086 4.185) 9.323 4.680 ( -4.171 -4.593 -5.351) 8.193 5.059 ( 3.229 2.649 -2.856) 5.060 5.232 ( -3.175 0.238 -3.611) 4.815 5.356 ( 0.559 3.603 2.968) 4.702 5.589 ( -2.548 1.639 1.202) 3.260 5.718 ( 1.467 -0.269 5.368) 5.571 5.787 ( -5.392 1.494 -1.402) 5.768 5.888 ( 1.848 -3.683 -3.421) 5.355 6.081 ( 2.649 -6.260 -7.896) 10.419 6.251 ( 6.724 -6.427 -3.800) 10.048 6.334 ( 4.885 -4.953 2.630) 7.437 6.529 ( -1.432 5.300 4.648) 7.193 6.565 ( 9.806 -3.257 -4.047) 11.097 6.614 ( 8.117 -10.599 0.355) 13.355 6.781 ( 7.720 -3.191 0.949) 8.407 7.031 ( 5.579 -0.722 1.071) 5.727 7.197 ( -1.239 -1.104 5.264) 5.519 7.256 ( -0.219 -3.098 -3.099) 4.387 7.420 ( -2.526 -8.876 -0.377) 9.236 7.444 ( 0.545 2.380 -2.409) 3.430 7.590 ( -1.680 -1.451 9.929) 10.174 7.656 ( 3.253 -3.129 4.993) 6.731 7.671 ( -0.691 -0.795 -1.097) 1.521 7.871 ( 5.733 4.340 1.954) 7.452 7.967 ( -1.587 -0.661 -1.267) 2.136 8.066 ( 4.717 1.682 -4.225) 6.552 8.303 ( -0.067 4.325 -4.529) 6.262 8.424 ( -0.907 1.314 3.073) 3.463 8.643 ( -0.179 -2.938 -3.280) 4.407 8.810 ( 1.054 7.199 5.614) 9.190 9.123 ( 0.492 0.965 4.956) 5.073 9.225 ( 1.219 13.523 -9.933) 16.823 9.529 ( 9.486 6.520 0.524) 11.522 9.547 ( 5.313 5.455 -0.489) 7.631 9.703 ( -1.410 2.834 -7.750) 8.372 9.859 ( 1.888 0.858 2.856) 3.529 9.930 ( 0.450 1.287 2.278) 2.655 10.190 ( 0.420 3.702 -0.935) 3.842 10.290 ( -3.680 -2.139 -1.609) 4.550 10.466 ( 1.536 6.535 1.128) 6.807 10.552 ( 3.277 4.047 4.589) 6.941 11.047 ( -3.206 2.671 1.787) 4.540 11.105 ( -2.901 2.529 -0.089) 3.850 11.298 ( 1.640 1.143 1.492) 2.494 11.533 ( 1.294 2.642 -6.990) 7.584 11.607 ( -0.540 -5.959 -1.172) 6.097 11.755 ( -3.937 -2.000 2.378) 5.016 11.854 ( -1.022 -1.112 1.913) 2.437 11.922 ( -4.103 -3.992 -4.676) 7.392 12.093 ( -5.186 -3.689 4.372) 7.721 12.271 ( -0.438 -2.389 -0.882) 2.584 12.470 ( -4.299 3.710 -1.911) 5.991 12.637 ( -10.933 0.531 0.938) 10.986 13.944 ( -3.553 -2.519 1.463) 4.594 14.089 ( 4.497 -11.973 -0.394) 12.796 14.419 ( -1.069 -2.971 -1.840) 3.655 14.590 ( -6.967 -8.007 -2.879) 10.997 15.002 ( 11.398 13.930 -0.564) 18.008 15.320 ( -0.478 -1.941 4.163) 4.618 15.402 ( -2.112 11.120 11.610) 16.215 15.804 ( 7.683 3.459 -10.197) 13.228 16.167 ( -9.213 9.715 1.486) 13.471 16.752 ( 7.007 -6.899 9.927) 13.973 17.567 ( 0.863 -8.269 -1.650) 8.476 18.527 ( 6.739 10.273 6.054) 13.696 18.879 ( 18.990 -4.348 0.383) 19.485 19.037 ( -9.402 -15.652 -18.646) 26.097 20.755 ( -1.936 7.513 8.656) 11.625 21.160 ( -18.219 -1.139 -2.912) 18.486 21.773 ( 1.411 -0.351 0.006) 1.454 21.823 ( -0.909 -2.025 0.452) 2.266 22.248 ( -0.389 2.869 -0.602) 2.958 22.309 ( -0.827 0.171 -0.814) 1.173 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 7.953 5.887 2.618) 10.235 1.957 ( 14.538 1.688 -0.558) 14.647 2.053 ( -3.115 2.347 -1.035) 4.035 2.107 ( 0.583 -2.224 4.604) 5.146 2.198 ( -5.707 5.686 2.854) 8.547 2.370 ( 0.452 7.781 -1.972) 8.040 2.385 ( -1.986 10.017 -5.145) 11.435 2.605 ( -3.732 8.412 -3.399) 9.810 2.629 ( -4.455 18.266 -0.338) 18.804 2.886 ( 8.674 -2.971 -6.749) 11.384 2.915 ( 0.107 -2.119 5.635) 6.021 3.031 ( -2.405 4.725 0.536) 5.328 3.200 ( 2.788 -3.233 -0.959) 4.375 3.211 ( 5.889 0.576 3.386) 6.818 3.305 ( -9.468 -1.501 3.583) 10.234 3.438 ( -13.991 -2.510 -3.639) 14.672 3.799 ( -2.101 -11.259 -1.325) 11.530 3.881 ( 1.903 -2.126 0.551) 2.906 4.073 ( -2.181 1.115 0.700) 2.548 4.115 ( -5.473 -5.473 2.552) 8.149 4.307 ( -0.451 -3.837 -4.155) 5.674 4.368 ( -1.751 5.339 1.621) 5.848 4.497 ( -3.532 -13.803 3.415) 14.652 4.631 ( -0.120 1.511 -1.907) 2.436 5.034 ( -2.503 4.206 -3.194) 5.845 5.259 ( 4.749 4.952 2.130) 7.184 5.399 ( 1.931 -0.991 0.743) 2.294 5.531 ( -4.708 2.165 -0.600) 5.216 5.698 ( -1.828 5.868 -0.396) 6.159 5.795 ( 2.607 -0.750 2.507) 3.694 5.897 ( 0.615 -1.644 -2.058) 2.705 6.065 ( 0.332 -6.540 -3.910) 7.627 6.335 ( 2.708 0.208 -1.183) 2.962 6.385 ( 0.818 -3.041 -0.005) 3.149 6.563 ( 0.874 7.139 6.350) 9.594 6.675 ( 3.434 -5.775 -2.947) 7.337 6.707 ( 2.730 -5.351 -2.469) 6.495 6.918 ( 5.754 -3.645 2.686) 7.322 7.107 ( -2.170 -1.787 0.348) 2.832 7.200 ( 5.737 -3.557 -1.933) 7.021 7.296 ( 1.937 -4.282 6.263) 7.830 7.365 ( -0.849 -7.577 -5.217) 9.239 7.387 ( -4.924 -1.044 2.094) 5.452 7.493 ( -6.202 -5.675 -3.680) 9.177 7.732 ( 1.896 -2.425 1.666) 3.500 7.760 ( 2.813 -3.630 3.900) 6.025 7.911 ( 1.620 7.936 3.128) 8.683 8.030 ( 0.139 -0.588 2.572) 2.642 8.087 ( 3.523 -0.764 -4.369) 5.664 8.256 ( -1.157 3.077 -5.104) 6.071 8.464 ( 1.954 0.493 3.056) 3.660 8.588 ( -3.158 -0.813 -1.153) 3.459 8.864 ( 0.900 7.763 4.033) 8.795 9.064 ( -2.049 5.136 -4.609) 7.199 9.328 ( 6.848 7.597 5.944) 11.829 9.496 ( -5.345 6.392 -8.711) 12.054 9.674 ( 5.172 7.162 -0.393) 8.843 9.731 ( 3.729 1.240 -0.118) 3.931 9.909 ( 1.523 0.331 2.010) 2.543 9.943 ( -0.358 1.946 1.020) 2.226 10.174 ( -0.762 2.965 -0.822) 3.170 10.213 ( -2.828 -3.056 -1.035) 4.290 10.495 ( 0.779 8.813 0.665) 8.872 10.634 ( 2.428 4.769 1.939) 5.692 11.015 ( -0.327 1.486 0.190) 1.534 11.047 ( -3.059 1.512 0.386) 3.434 11.317 ( 0.223 3.543 -0.127) 3.552 11.531 ( 1.112 -0.010 -2.675) 2.897 11.611 ( 1.406 -3.063 -0.681) 3.438 11.719 ( -1.339 -6.358 0.804) 6.547 11.817 ( -3.479 -2.596 -1.132) 4.486 11.841 ( -1.002 -0.367 0.079) 1.070 12.063 ( -1.305 -3.479 4.928) 6.171 12.236 ( -1.091 -3.475 -4.403) 5.714 12.411 ( -2.393 4.767 0.653) 5.373 12.507 ( -3.105 2.582 1.402) 4.275 13.835 ( -4.573 3.462 -1.026) 5.827 14.185 ( 3.638 -10.421 1.626) 11.157 14.430 ( 2.654 -11.169 -4.929) 12.493 14.466 ( -5.185 -12.741 1.929) 13.890 15.140 ( 3.469 19.572 -0.858) 19.895 15.311 ( -0.845 -3.904 1.234) 4.180 15.467 ( 1.233 11.501 8.552) 14.385 15.860 ( 5.602 19.127 -10.959) 22.745 16.006 ( -8.584 3.996 4.205) 10.360 16.937 ( 5.277 -19.215 6.040) 20.822 17.575 ( 0.549 -9.127 -0.572) 9.161 18.661 ( 2.410 5.532 9.644) 11.376 18.780 ( -4.624 -9.885 -16.731) 19.976 19.191 ( 10.754 -4.898 0.951) 11.855 20.765 ( -0.376 2.862 2.479) 3.805 20.843 ( -11.768 4.173 -0.498) 12.496 21.798 ( 1.150 -0.584 0.053) 1.291 21.817 ( -0.390 -0.619 0.140) 0.745 22.233 ( -0.423 3.352 -0.513) 3.417 22.307 ( 0.229 1.005 0.024) 1.031 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 6.886 0.000) 6.886 1.129 ( 0.000 -11.555 0.000) 11.555 1.843 ( 0.000 13.193 0.000) 13.193 1.929 ( 0.000 7.571 0.000) 7.571 2.191 ( 0.000 -7.741 0.000) 7.741 2.203 ( 0.000 -13.398 0.000) 13.398 2.604 ( 0.000 11.996 0.000) 11.996 2.856 ( 0.000 -11.530 0.000) 11.530 3.066 ( 0.000 5.279 0.000) 5.279 3.074 ( 0.000 3.377 0.000) 3.377 3.180 ( 0.000 3.992 0.000) 3.992 3.212 ( 0.000 3.315 0.000) 3.315 3.454 ( 0.000 10.952 0.000) 10.952 3.668 ( 0.000 -9.429 0.000) 9.429 3.756 ( 0.000 0.137 0.000) 0.137 3.761 ( 0.000 0.683 0.000) 0.683 3.992 ( 0.000 11.296 0.000) 11.296 4.007 ( 0.000 4.941 0.000) 4.941 4.171 ( 0.000 0.284 0.000) 0.284 4.362 ( 0.000 -2.137 0.000) 2.137 4.382 ( 0.000 -3.201 0.000) 3.201 4.586 ( 0.000 -7.332 0.000) 7.332 4.623 ( 0.000 13.268 0.000) 13.268 4.868 ( 0.000 -9.867 0.000) 9.867 5.157 ( 0.000 5.874 0.000) 5.874 5.193 ( 0.000 5.775 0.000) 5.775 5.479 ( 0.000 -1.776 0.000) 1.776 5.553 ( 0.000 -0.980 0.000) 0.980 5.689 ( 0.000 -12.137 0.000) 12.137 5.726 ( 0.000 -8.143 0.000) 8.143 5.763 ( 0.000 -1.457 0.000) 1.457 5.816 ( 0.000 -4.908 0.000) 4.908 5.926 ( 0.000 1.536 0.000) 1.536 6.039 ( 0.000 -5.729 0.000) 5.729 6.286 ( 0.000 1.314 0.000) 1.314 6.320 ( 0.000 -1.988 0.000) 1.988 6.551 ( 0.000 8.833 0.000) 8.833 6.719 ( 0.000 -7.980 0.000) 7.980 6.815 ( 0.000 1.607 0.000) 1.607 6.860 ( 0.000 -2.395 0.000) 2.395 7.315 ( 0.000 -0.992 0.000) 0.992 7.374 ( 0.000 -6.318 0.000) 6.318 7.500 ( 0.000 4.434 0.000) 4.434 7.559 ( 0.000 -1.699 0.000) 1.699 7.673 ( 0.000 5.469 0.000) 5.469 7.735 ( 0.000 -1.310 0.000) 1.310 7.884 ( 0.000 2.383 0.000) 2.383 7.952 ( 0.000 -4.117 0.000) 4.117 8.041 ( 0.000 15.486 0.000) 15.486 8.324 ( 0.000 -10.209 0.000) 10.209 8.507 ( 0.000 1.985 0.000) 1.985 8.552 ( 0.000 -2.007 0.000) 2.007 8.888 ( 0.000 6.100 0.000) 6.100 8.997 ( 0.000 -4.543 0.000) 4.543 9.362 ( 0.000 5.121 0.000) 5.121 9.400 ( 0.000 0.860 0.000) 0.860 9.671 ( 0.000 5.899 0.000) 5.899 9.744 ( 0.000 -1.470 0.000) 1.470 9.939 ( 0.000 6.993 0.000) 6.993 10.001 ( 0.000 0.964 0.000) 0.964 10.195 ( 0.000 2.421 0.000) 2.421 10.274 ( 0.000 -5.102 0.000) 5.102 10.499 ( 0.000 1.975 0.000) 1.975 10.512 ( 0.000 0.793 0.000) 0.793 11.171 ( 0.000 2.224 0.000) 2.224 11.189 ( 0.000 0.107 0.000) 0.107 11.307 ( 0.000 6.981 0.000) 6.981 11.483 ( 0.000 -8.816 0.000) 8.816 11.679 ( 0.000 4.092 0.000) 4.092 11.779 ( 0.000 -5.016 0.000) 5.016 11.893 ( 0.000 0.770 0.000) 0.770 11.919 ( 0.000 -0.394 0.000) 0.394 12.162 ( 0.000 0.390 0.000) 0.390 12.218 ( 0.000 -4.223 0.000) 4.223 12.731 ( 0.000 3.675 0.000) 3.675 12.819 ( 0.000 -5.245 0.000) 5.245 13.777 ( 0.000 -1.546 0.000) 1.546 13.818 ( 0.000 -5.696 0.000) 5.696 14.732 ( 0.000 2.105 0.000) 2.105 14.736 ( 0.000 4.687 0.000) 4.687 14.849 ( 0.000 0.899 0.000) 0.899 14.948 ( 0.000 -5.997 0.000) 5.997 15.611 ( 0.000 4.148 0.000) 4.148 15.642 ( 0.000 -0.792 0.000) 0.792 16.427 ( 0.000 10.632 0.000) 10.632 16.689 ( 0.000 -9.817 0.000) 9.817 17.771 ( 0.000 25.378 0.000) 25.378 18.307 ( 0.000 -18.364 0.000) 18.364 18.584 ( 0.000 11.435 0.000) 11.435 18.852 ( 0.000 -19.217 0.000) 19.217 21.085 ( 0.000 16.608 0.000) 16.608 21.370 ( 0.000 -10.505 0.000) 10.505 21.735 ( 0.000 0.464 0.000) 0.464 21.779 ( 0.000 -4.214 0.000) 4.214 22.280 ( 0.000 1.766 0.000) 1.766 22.321 ( 0.000 -2.700 0.000) 2.700 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 23.571 5.530 2.127) 24.304 1.358 ( 21.157 -9.314 1.866) 23.192 1.755 ( -3.866 11.110 -1.358) 11.841 1.999 ( -1.184 -9.004 0.480) 9.094 2.142 ( 5.164 8.041 2.620) 9.909 2.370 ( 9.549 -10.277 -0.264) 14.031 2.584 ( -0.472 10.896 -3.791) 11.547 2.816 ( -2.945 -11.256 -4.175) 12.362 3.037 ( -2.553 7.048 -1.749) 7.697 3.059 ( -1.911 3.808 0.351) 4.275 3.109 ( -5.755 3.705 -1.699) 7.052 3.148 ( -5.303 1.920 0.085) 5.641 3.407 ( -5.679 12.254 2.535) 13.742 3.641 ( -4.956 -7.803 2.496) 9.575 3.695 ( -10.887 6.467 -0.646) 12.679 3.730 ( -5.106 1.805 2.099) 5.808 3.833 ( -6.768 -4.125 2.345) 8.266 3.911 ( -16.418 -5.948 1.168) 17.502 4.123 ( -1.754 8.949 -0.865) 9.160 4.334 ( -5.363 -0.999 3.685) 6.584 4.394 ( 1.531 0.545 -3.826) 4.157 4.542 ( -5.822 10.715 0.093) 12.195 4.579 ( -0.747 -8.108 -1.215) 8.232 4.746 ( -9.243 -8.045 -3.534) 12.754 5.094 ( -1.892 5.755 -2.427) 6.526 5.225 ( 0.304 -3.201 -2.680) 4.186 5.484 ( 0.170 6.837 6.450) 9.401 5.609 ( 2.895 1.145 -2.249) 3.841 5.662 ( -4.936 -6.075 8.477) 11.538 5.765 ( 5.682 -10.222 -1.381) 11.776 5.804 ( 4.623 1.795 -1.570) 5.202 5.927 ( 5.536 -9.451 -4.752) 11.939 5.992 ( 11.440 0.897 -4.791) 12.435 6.049 ( 4.377 -2.487 -5.880) 7.741 6.319 ( 3.770 -0.516 3.553) 5.206 6.354 ( 3.168 -2.738 2.261) 4.759 6.658 ( 7.055 5.458 3.960) 9.760 6.698 ( 0.796 1.534 -3.135) 3.580 6.905 ( 4.819 -1.545 -0.386) 5.075 6.940 ( 8.849 -5.792 5.157) 11.767 7.287 ( -2.864 -0.377 -1.117) 3.098 7.354 ( -2.774 -6.295 -0.385) 6.890 7.493 ( -1.069 4.307 4.435) 6.274 7.556 ( -0.276 -1.814 2.883) 3.417 7.633 ( -3.657 5.000 1.738) 6.434 7.716 ( -2.674 -2.990 -1.822) 4.405 7.879 ( 0.465 3.807 0.511) 3.869 7.950 ( -0.162 -3.436 -0.082) 3.441 8.111 ( 5.626 11.361 -0.171) 12.679 8.327 ( 0.877 -7.668 -2.752) 8.194 8.483 ( -2.025 3.490 1.184) 4.205 8.559 ( 1.029 -3.610 -1.405) 4.008 8.909 ( 1.593 6.382 1.583) 6.766 9.024 ( 1.647 -4.636 3.238) 5.889 9.424 ( 5.351 5.099 1.160) 7.482 9.465 ( 6.373 1.200 1.291) 6.612 9.618 ( -1.341 7.873 -9.414) 12.345 9.746 ( 0.186 -4.103 -3.187) 5.199 9.913 ( -1.642 3.696 -1.386) 4.275 9.949 ( -2.704 0.046 -2.120) 3.437 10.238 ( 2.722 3.979 2.024) 5.228 10.308 ( 0.292 -2.559 2.022) 3.275 10.512 ( 1.706 2.392 1.340) 3.229 10.529 ( 1.696 0.656 2.318) 2.946 11.154 ( -2.374 2.442 1.625) 3.773 11.179 ( -1.504 0.006 0.462) 1.574 11.311 ( 0.474 6.020 0.884) 6.103 11.473 ( -0.699 -8.521 -0.436) 8.561 11.653 ( -0.842 4.302 -5.583) 7.098 11.764 ( -1.212 -6.266 -4.136) 7.605 11.853 ( -2.213 3.212 0.271) 3.910 11.922 ( -1.339 -2.727 1.049) 3.214 12.134 ( -3.696 1.616 3.252) 5.182 12.210 ( -1.827 -4.373 3.010) 5.615 12.663 ( -5.343 3.843 -3.276) 7.352 12.749 ( -6.264 -4.537 -1.742) 7.928 13.810 ( 3.296 -2.134 0.551) 3.965 13.845 ( 2.795 -5.700 -0.765) 6.394 14.585 ( -9.453 3.092 -0.804) 9.978 14.655 ( -9.566 -3.699 -0.836) 10.290 14.976 ( 12.786 8.839 1.545) 15.621 15.131 ( 11.955 -5.927 2.441) 13.565 15.597 ( -2.709 5.158 5.505) 8.016 15.665 ( 2.089 -1.872 4.054) 4.929 16.410 ( -1.847 10.770 -0.063) 10.928 16.677 ( -1.774 -9.826 1.043) 10.039 17.730 ( -3.222 24.592 -2.173) 24.897 18.310 ( -1.346 -24.069 2.457) 24.232 18.668 ( 9.853 9.736 -4.575) 14.588 18.865 ( 4.479 -12.139 -6.286) 14.385 21.040 ( -5.634 14.402 3.080) 15.768 21.294 ( -8.344 -9.863 0.202) 12.921 21.746 ( 1.172 0.416 -0.150) 1.252 21.778 ( 0.036 -2.831 0.279) 2.845 22.283 ( 0.387 1.383 -0.187) 1.448 22.311 ( -0.542 -1.712 -0.805) 1.968 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 22.017 5.788 2.175) 22.869 1.713 ( 5.313 7.688 -1.481) 9.462 1.791 ( 16.714 -6.538 1.902) 18.047 1.963 ( -0.132 -13.277 -0.386) 13.283 2.297 ( 6.752 11.854 3.412) 14.063 2.498 ( 4.561 -4.748 -2.437) 7.020 2.561 ( 0.329 7.346 -4.221) 8.479 2.709 ( -5.170 -7.807 -4.973) 10.603 2.956 ( -6.127 6.814 0.140) 9.164 3.015 ( -1.973 6.542 -0.772) 6.876 3.025 ( -1.198 0.270 -0.050) 1.229 3.075 ( -2.649 2.639 1.613) 4.072 3.297 ( -7.395 12.516 1.822) 14.651 3.357 ( -17.053 8.100 -0.229) 18.880 3.498 ( -14.658 -6.037 0.962) 15.881 3.593 ( -10.067 -0.901 4.670) 11.134 3.665 ( -7.672 -10.005 -2.918) 12.941 3.779 ( -3.435 -9.478 2.787) 10.459 4.065 ( -3.595 4.989 0.318) 6.158 4.191 ( -10.465 -4.208 3.176) 11.718 4.349 ( -6.367 3.192 -1.647) 7.311 4.482 ( -5.860 -3.284 0.096) 6.718 4.503 ( -2.117 3.867 -0.792) 4.479 4.622 ( 1.293 -3.580 -5.464) 6.659 5.111 ( 3.558 3.801 -1.199) 5.342 5.204 ( -0.198 -3.832 -2.859) 4.786 5.486 ( -2.190 7.541 4.055) 8.838 5.605 ( -2.685 -2.495 2.063) 4.206 5.706 ( 4.277 2.408 1.680) 5.188 5.789 ( 0.531 -3.021 -3.321) 4.520 5.867 ( 2.791 1.663 -1.488) 3.573 5.958 ( 1.596 -6.286 -4.565) 7.931 6.169 ( 10.719 0.490 -3.356) 11.243 6.237 ( 14.732 -4.922 -3.328) 15.885 6.431 ( 4.462 -2.048 7.054) 8.595 6.473 ( 6.710 -3.951 3.682) 8.614 6.702 ( 0.834 6.375 -0.695) 6.467 6.775 ( 3.955 -0.168 0.466) 3.986 7.015 ( 6.137 1.219 -0.063) 6.258 7.116 ( 6.517 -6.916 0.770) 9.534 7.203 ( -4.690 0.125 -0.994) 4.796 7.265 ( -5.036 -5.566 -1.815) 7.722 7.516 ( -1.785 3.841 1.391) 4.458 7.572 ( -6.466 -0.678 7.529) 9.948 7.614 ( 4.128 -1.089 2.291) 4.845 7.641 ( -0.749 -2.197 0.209) 2.330 7.920 ( 2.827 1.719 3.684) 4.952 7.951 ( 0.400 -1.192 0.902) 1.547 8.180 ( 2.762 7.464 -4.956) 9.376 8.309 ( -0.102 -4.073 -6.301) 7.504 8.476 ( -0.007 4.216 3.145) 5.260 8.567 ( -0.063 -4.268 0.210) 4.274 8.958 ( 1.598 6.841 4.944) 8.590 9.078 ( 0.995 -4.582 5.144) 6.960 9.472 ( 1.291 10.401 -9.959) 14.458 9.602 ( 6.383 0.112 -4.004) 7.535 9.634 ( 7.820 2.359 1.461) 8.297 9.691 ( -0.309 -3.685 -8.559) 9.324 9.891 ( -0.405 2.591 3.350) 4.254 9.934 ( -0.126 -1.100 2.389) 2.633 10.258 ( -1.059 2.180 -0.895) 2.584 10.274 ( -3.159 0.178 -2.103) 3.799 10.580 ( 3.870 4.060 2.842) 6.288 10.612 ( 4.484 1.145 3.958) 6.090 11.104 ( -3.872 2.502 1.396) 4.817 11.132 ( -3.750 -0.013 0.212) 3.756 11.346 ( 2.464 4.023 2.192) 5.202 11.467 ( 0.802 -7.193 -0.281) 7.243 11.590 ( -1.822 3.606 -6.497) 7.650 11.686 ( -3.485 -4.855 -4.777) 7.651 11.827 ( -1.666 0.730 0.266) 1.838 11.881 ( -2.323 -2.807 -2.318) 4.318 12.081 ( -4.988 3.647 6.700) 9.114 12.187 ( -2.731 -5.357 2.543) 6.528 12.548 ( -4.327 3.719 -2.176) 6.106 12.614 ( -6.535 -2.488 -0.768) 7.035 13.881 ( 2.958 -2.160 -0.420) 3.687 13.906 ( 5.079 -5.150 -0.951) 7.295 14.397 ( -9.564 1.110 -1.071) 9.688 14.458 ( -10.645 -4.724 -2.058) 11.827 15.209 ( 9.774 6.129 -1.687) 11.659 15.298 ( 3.837 -2.440 1.622) 4.827 15.624 ( 2.668 11.266 10.193) 15.425 15.817 ( 10.580 -3.835 8.366) 14.023 16.351 ( -4.606 10.646 -1.064) 11.648 16.630 ( -4.357 -11.011 1.531) 11.940 17.653 ( -2.944 21.120 -2.935) 21.525 18.256 ( -4.993 -32.081 -1.166) 32.488 18.841 ( 11.421 9.154 -6.602) 16.057 18.977 ( 11.056 -3.192 -4.373) 12.310 20.933 ( -7.836 8.823 4.175) 12.517 21.087 ( -13.275 -5.845 0.371) 14.509 21.772 ( 1.531 0.371 -0.128) 1.580 21.789 ( 0.866 -1.292 0.308) 1.586 22.286 ( 0.055 1.146 -0.507) 1.255 22.303 ( 0.250 -0.571 -0.435) 0.760 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 5.176 5.912 -0.175) 7.860 1.946 ( 1.755 -8.266 -1.022) 8.512 1.981 ( 9.986 1.766 -0.969) 10.187 2.046 ( 4.136 -4.218 2.021) 6.243 2.362 ( -2.259 9.606 2.203) 10.111 2.484 ( -2.391 2.028 -1.139) 3.336 2.550 ( -0.326 3.494 -3.081) 4.670 2.639 ( 0.718 -5.380 -1.085) 5.536 2.877 ( -0.179 8.851 -0.123) 8.853 2.956 ( -2.536 4.324 -0.433) 5.032 3.026 ( 0.194 5.949 -0.804) 6.006 3.097 ( 0.350 2.060 -0.066) 2.091 3.123 ( -6.510 0.765 4.445) 7.920 3.256 ( 1.186 3.983 -2.452) 4.825 3.310 ( -3.736 -1.146 3.676) 5.365 3.426 ( -9.457 7.394 -0.298) 12.008 3.550 ( -2.725 -12.375 -1.154) 12.724 3.720 ( -3.580 -16.636 0.978) 17.045 4.025 ( -0.707 -0.457 0.240) 0.875 4.058 ( -4.555 -2.340 0.979) 5.213 4.247 ( -2.297 1.536 -1.000) 2.939 4.307 ( -7.069 -3.558 0.322) 7.920 4.547 ( 1.835 6.789 -0.552) 7.054 4.639 ( 1.634 -1.792 -1.544) 2.875 5.121 ( -0.913 4.608 -1.871) 5.057 5.222 ( 2.287 -4.837 -0.025) 5.350 5.478 ( -0.511 5.134 1.747) 5.447 5.548 ( -3.093 -1.197 -0.384) 3.338 5.789 ( 3.639 3.690 0.396) 5.198 5.826 ( 3.427 1.019 0.774) 3.658 5.879 ( -0.701 0.085 -0.405) 0.814 5.937 ( -0.925 -5.461 -3.102) 6.348 6.327 ( 6.022 2.635 0.812) 6.623 6.392 ( 3.325 -0.394 -3.830) 5.088 6.541 ( 2.997 -4.005 4.074) 6.451 6.577 ( 2.518 -4.907 -0.263) 5.522 6.745 ( 2.382 7.333 2.303) 8.047 6.852 ( 4.413 -3.270 2.446) 6.013 7.046 ( -2.737 -1.991 -1.703) 3.789 7.093 ( -3.131 -5.550 -2.145) 6.724 7.210 ( 2.238 -1.704 2.518) 3.775 7.233 ( 2.516 -3.600 -3.272) 5.477 7.432 ( -4.692 1.626 -0.128) 4.967 7.450 ( -5.983 -0.406 -0.577) 6.024 7.699 ( 2.395 -0.659 1.905) 3.130 7.708 ( 2.241 -1.525 2.421) 3.635 7.995 ( 2.450 1.435 5.148) 5.879 8.015 ( 2.807 -0.833 5.337) 6.087 8.156 ( -0.318 5.750 -7.317) 9.311 8.252 ( -1.489 -2.958 -6.128) 6.965 8.501 ( 0.413 2.736 1.945) 3.382 8.557 ( -1.011 -2.342 0.828) 2.682 9.013 ( 0.829 6.348 4.323) 7.725 9.101 ( -0.556 -1.628 1.437) 2.241 9.468 ( 3.370 6.059 -2.674) 7.431 9.550 ( -2.640 -1.146 -8.726) 9.188 9.762 ( 5.045 1.780 -0.911) 5.427 9.770 ( 4.299 1.527 1.398) 4.771 9.914 ( 0.077 0.799 2.772) 2.886 9.944 ( -0.518 -1.558 2.060) 2.634 10.205 ( -2.058 1.546 -1.739) 3.106 10.220 ( -1.312 0.815 -1.459) 2.125 10.652 ( 1.926 5.678 1.404) 6.157 10.701 ( 2.470 1.006 1.735) 3.182 11.048 ( -1.967 1.549 0.274) 2.519 11.064 ( -2.861 0.117 -0.017) 2.863 11.411 ( 2.208 4.928 2.327) 5.880 11.507 ( 2.624 -4.495 0.014) 5.205 11.527 ( -0.613 -0.154 -2.623) 2.698 11.599 ( -3.378 -5.409 -3.486) 7.268 11.785 ( -2.255 0.834 0.030) 2.404 11.833 ( -1.095 -2.384 -1.676) 3.113 12.049 ( -1.940 2.846 4.448) 5.626 12.141 ( -2.168 -5.207 -0.469) 5.660 12.495 ( -0.993 3.155 -0.321) 3.323 12.532 ( -2.159 -0.331 0.490) 2.239 13.905 ( 0.713 3.558 -1.238) 3.834 14.004 ( 4.736 -6.709 0.096) 8.213 14.262 ( -3.974 -4.233 -1.418) 5.977 14.274 ( -7.044 -5.317 0.036) 8.826 15.281 ( 1.173 1.673 -1.602) 2.597 15.325 ( -0.160 -0.943 0.480) 1.070 15.807 ( 7.568 19.279 7.320) 21.967 16.065 ( 9.312 4.283 5.293) 11.536 16.227 ( -6.701 7.502 -3.624) 10.692 16.549 ( -4.152 -17.752 0.827) 18.250 17.604 ( -0.886 16.622 -1.248) 16.693 18.157 ( -3.140 -32.142 -2.012) 32.357 18.973 ( 5.171 11.807 -2.857) 13.202 19.146 ( 6.775 -4.607 -1.470) 8.324 20.836 ( -3.760 3.486 1.916) 5.474 20.881 ( -7.402 -0.445 0.405) 7.427 21.794 ( 0.772 0.239 -0.047) 0.810 21.804 ( 0.471 -0.634 0.122) 0.800 22.283 ( -0.026 1.760 -0.280) 1.782 22.308 ( 0.269 -0.707 -0.054) 0.758 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 2.024 0.000 22.062) 22.155 0.489 ( 2.861 0.000 26.005) 26.162 1.053 ( -2.415 0.000 54.421) 54.475 1.332 ( 0.384 0.000 0.683) 0.783 1.475 ( -5.645 0.000 -3.476) 6.630 1.565 ( -3.008 0.000 -12.843) 13.191 1.851 ( -4.394 0.000 -17.208) 17.760 2.461 ( 1.797 0.000 -5.075) 5.384 2.807 ( -3.416 0.000 -4.847) 5.930 2.827 ( -1.148 0.000 9.406) 9.476 3.131 ( 2.173 0.000 8.058) 8.346 3.237 ( 1.300 0.000 7.500) 7.612 3.325 ( -6.043 0.000 6.613) 8.959 3.400 ( 3.917 0.000 -5.390) 6.663 3.497 ( -0.697 0.000 -2.402) 2.501 3.579 ( 3.112 0.000 -1.781) 3.585 3.626 ( 4.313 0.000 -1.720) 4.643 3.642 ( 0.578 0.000 -9.487) 9.505 4.264 ( -4.417 0.000 -1.488) 4.661 4.431 ( -8.855 0.000 2.543) 9.213 4.469 ( -1.397 0.000 -4.870) 5.066 4.686 ( -1.053 0.000 5.744) 5.840 4.778 ( -1.089 0.000 -9.438) 9.501 5.261 ( -4.504 0.000 0.065) 4.504 5.368 ( -0.065 0.000 -5.210) 5.210 5.473 ( 2.006 0.000 -1.361) 2.424 5.605 ( 6.522 0.000 -2.114) 6.856 5.736 ( -4.719 0.000 3.472) 5.859 5.901 ( 1.887 0.000 9.075) 9.269 6.063 ( 12.632 0.000 -7.225) 14.552 6.235 ( -10.756 0.000 -0.040) 10.756 6.289 ( 2.823 0.000 -11.886) 12.217 6.453 ( -8.676 0.000 -1.136) 8.750 6.631 ( -14.319 0.000 -6.685) 15.802 6.633 ( 2.017 0.000 0.497) 2.078 6.746 ( 8.437 0.000 3.626) 9.184 6.750 ( 11.580 0.000 1.410) 11.665 6.884 ( -3.283 0.000 5.627) 6.515 6.971 ( -2.926 0.000 1.045) 3.106 7.078 ( -7.615 0.000 -0.877) 7.665 7.197 ( -4.518 0.000 10.417) 11.355 7.335 ( -10.073 0.000 0.442) 10.082 7.396 ( 9.782 0.000 6.758) 11.889 7.403 ( 0.926 0.000 -3.001) 3.141 7.525 ( -0.794 0.000 1.650) 1.831 7.772 ( 2.576 0.000 4.805) 5.452 7.851 ( -9.208 0.000 4.398) 10.205 7.921 ( -3.346 0.000 -5.045) 6.054 7.962 ( -3.971 0.000 -11.541) 12.205 8.078 ( 5.074 0.000 -0.238) 5.080 8.147 ( 11.166 0.000 -3.238) 11.626 8.216 ( -4.647 0.000 -3.439) 5.781 8.402 ( -1.638 0.000 4.917) 5.183 8.512 ( -0.135 0.000 3.698) 3.701 8.903 ( -3.945 0.000 -0.067) 3.946 8.994 ( -1.739 0.000 10.546) 10.688 9.067 ( 2.350 0.000 -3.522) 4.234 9.469 ( 1.318 0.000 -6.482) 6.615 9.766 ( -0.611 0.000 0.188) 0.639 10.031 ( 2.717 0.000 6.373) 6.928 10.110 ( 13.079 0.000 -5.278) 14.104 10.125 ( -1.719 0.000 -0.402) 1.766 10.309 ( -2.323 0.000 0.578) 2.394 10.504 ( -0.503 0.000 0.171) 0.532 10.914 ( -0.695 0.000 0.491) 0.851 11.003 ( 2.263 0.000 -3.332) 4.028 11.361 ( -2.324 0.000 5.394) 5.874 11.557 ( -1.066 0.000 -2.468) 2.689 11.607 ( -2.556 0.000 -4.898) 5.524 11.852 ( 4.283 0.000 -7.699) 8.810 11.991 ( -0.019 0.000 -0.563) 0.563 12.101 ( 3.791 0.000 -4.992) 6.269 12.230 ( -1.088 0.000 1.088) 1.539 12.370 ( -3.872 0.000 -0.291) 3.883 12.536 ( 2.952 0.000 11.315) 11.693 12.835 ( 15.893 0.000 2.021) 16.021 13.683 ( 2.270 0.000 14.326) 14.505 14.424 ( -0.401 0.000 -0.501) 0.642 14.606 ( -31.924 0.000 0.182) 31.924 14.607 ( 2.688 0.000 0.162) 2.693 14.906 ( 6.260 0.000 -1.654) 6.475 15.157 ( -8.819 0.000 -17.917) 19.970 15.438 ( -1.088 0.000 8.329) 8.399 16.362 ( 15.033 0.000 -2.555) 15.249 16.678 ( 3.615 0.000 -2.597) 4.451 16.691 ( -3.505 0.000 4.642) 5.817 17.110 ( -10.871 0.000 2.229) 11.097 17.326 ( -12.369 0.000 -3.943) 12.982 19.080 ( 7.439 0.000 8.627) 11.392 19.668 ( -19.849 0.000 -6.392) 20.853 21.450 ( -2.462 0.000 0.617) 2.538 21.512 ( 3.279 0.000 -0.754) 3.365 21.742 ( -2.540 0.000 0.010) 2.540 21.756 ( 47.948 0.000 -0.469) 47.950 22.087 ( 0.231 0.000 0.213) 0.315 22.089 ( -0.196 0.000 0.196) 0.277 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 2.242 0.000 22.519) 22.630 0.904 ( 25.225 0.000 16.941) 30.386 1.387 ( 1.709 0.000 -0.109) 1.712 1.496 ( 13.862 0.000 29.903) 32.960 1.648 ( 20.546 0.000 -10.755) 23.191 1.649 ( 11.598 0.000 -7.885) 14.025 1.713 ( 8.341 0.000 -13.006) 15.451 2.494 ( 3.525 0.000 -0.365) 3.544 2.634 ( -11.900 0.000 -6.040) 13.345 2.705 ( -12.353 0.000 2.575) 12.618 3.047 ( -13.232 0.000 6.276) 14.645 3.273 ( -6.065 0.000 5.245) 8.019 3.343 ( 3.138 0.000 9.257) 9.774 3.406 ( -0.143 0.000 -7.633) 7.634 3.488 ( 4.331 0.000 -4.308) 6.108 3.655 ( 6.323 0.000 1.142) 6.425 3.715 ( 10.232 0.000 -6.021) 11.873 3.802 ( 13.727 0.000 -6.754) 15.299 4.208 ( -2.746 0.000 3.599) 4.527 4.334 ( -9.306 0.000 -5.021) 10.574 4.359 ( -1.648 0.000 -1.047) 1.952 4.642 ( -7.927 0.000 -10.324) 13.016 4.655 ( -6.136 0.000 6.999) 9.308 5.089 ( -11.773 0.000 3.836) 12.383 5.263 ( -7.674 0.000 3.172) 8.304 5.486 ( 2.496 0.000 -8.829) 9.175 5.604 ( -14.032 0.000 2.355) 14.228 5.696 ( 4.010 0.000 -2.866) 4.929 5.948 ( -5.988 0.000 7.389) 9.511 6.087 ( -4.855 0.000 8.300) 9.615 6.129 ( 0.312 0.000 -13.036) 13.040 6.207 ( -0.680 0.000 -11.118) 11.139 6.327 ( -1.547 0.000 -6.410) 6.594 6.410 ( -0.640 0.000 -4.024) 4.074 6.629 ( -4.218 0.000 9.098) 10.028 6.778 ( -5.968 0.000 -4.780) 7.646 6.828 ( -1.783 0.000 2.722) 3.254 6.902 ( -0.317 0.000 7.779) 7.786 7.021 ( -1.092 0.000 -2.468) 2.698 7.144 ( -1.977 0.000 3.290) 3.839 7.146 ( 12.884 0.000 -5.670) 14.076 7.354 ( 6.075 0.000 11.565) 13.063 7.502 ( 1.455 0.000 -2.073) 2.533 7.610 ( 10.962 0.000 0.657) 10.981 7.732 ( 14.005 0.000 4.896) 14.836 7.791 ( 0.780 0.000 1.051) 1.309 7.891 ( 5.357 0.000 5.182) 7.453 7.906 ( 8.245 0.000 -1.683) 8.415 7.989 ( 10.930 0.000 -3.912) 11.609 8.143 ( -0.229 0.000 -2.366) 2.377 8.183 ( 7.098 0.000 -3.589) 7.954 8.316 ( 6.251 0.000 -11.274) 12.891 8.501 ( 10.869 0.000 7.152) 13.011 8.546 ( 1.980 0.000 1.920) 2.758 8.815 ( -3.703 0.000 -5.389) 6.539 9.023 ( -2.422 0.000 10.675) 10.947 9.084 ( 0.997 0.000 -3.064) 3.222 9.484 ( 3.870 0.000 -5.450) 6.684 9.777 ( 1.882 0.000 0.105) 1.884 10.079 ( -2.396 0.000 -1.413) 2.781 10.086 ( -1.325 0.000 7.724) 7.837 10.229 ( -0.104 0.000 -0.449) 0.461 10.277 ( 4.445 0.000 -9.127) 10.152 10.474 ( -2.654 0.000 0.148) 2.658 10.899 ( -0.992 0.000 -0.458) 1.093 11.011 ( 0.351 0.000 -2.264) 2.291 11.351 ( -2.147 0.000 3.745) 4.317 11.507 ( -3.924 0.000 -4.708) 6.129 11.516 ( -2.323 0.000 3.048) 3.833 11.894 ( 5.330 0.000 -8.944) 10.412 11.984 ( -0.287 0.000 -0.953) 0.995 12.082 ( -1.176 0.000 -3.093) 3.309 12.232 ( -1.242 0.000 6.041) 6.167 12.244 ( -8.383 0.000 -3.223) 8.981 12.584 ( -4.096 0.000 7.293) 8.365 12.737 ( -16.259 0.000 10.318) 19.257 13.841 ( 5.165 0.000 15.185) 16.040 14.363 ( -11.375 0.000 1.425) 11.464 14.454 ( 3.898 0.000 -13.304) 13.864 14.502 ( -5.507 0.000 -8.621) 10.230 14.984 ( -2.663 0.000 9.627) 9.989 15.010 ( 2.679 0.000 -11.223) 11.538 15.559 ( 10.221 0.000 4.975) 11.367 16.493 ( 1.893 0.000 -13.211) 13.346 16.730 ( 4.534 0.000 -10.429) 11.372 16.833 ( 11.556 0.000 16.393) 20.057 17.047 ( 3.226 0.000 -4.990) 5.942 17.290 ( 3.491 0.000 2.584) 4.343 19.348 ( 14.085 0.000 14.468) 20.192 19.386 ( -9.418 0.000 -2.763) 9.815 21.237 ( -19.200 0.000 -4.707) 19.768 21.460 ( -9.013 0.000 1.413) 9.123 21.736 ( 2.544 0.000 -2.033) 3.256 21.824 ( -11.069 0.000 7.884) 13.590 22.078 ( -2.159 0.000 0.938) 2.354 22.094 ( 0.046 0.000 0.379) 0.381 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 6.908 0.000 16.709) 18.081 1.386 ( 15.300 0.000 -0.246) 15.302 1.394 ( -2.362 0.000 2.746) 3.622 1.510 ( 6.850 0.000 -2.542) 7.307 1.814 ( 8.266 0.000 -3.951) 9.161 2.020 ( 22.580 0.000 -9.594) 24.533 2.231 ( 12.718 0.000 3.810) 13.277 2.357 ( -1.039 0.000 15.322) 15.357 2.477 ( -9.389 0.000 1.889) 9.577 2.625 ( 8.465 0.000 0.342) 8.471 2.811 ( -15.712 0.000 5.314) 16.587 3.183 ( -3.792 0.000 2.505) 4.544 3.299 ( -2.966 0.000 -8.959) 9.437 3.476 ( 1.885 0.000 12.093) 12.239 3.559 ( 3.229 0.000 -4.838) 5.816 3.738 ( -3.254 0.000 -1.538) 3.600 3.841 ( 7.303 0.000 -6.007) 9.456 3.931 ( 4.736 0.000 -11.110) 12.078 4.159 ( -3.994 0.000 1.267) 4.190 4.209 ( 0.870 0.000 1.112) 1.412 4.312 ( -2.607 0.000 -0.368) 2.633 4.409 ( -9.308 0.000 -9.981) 13.648 4.592 ( -5.359 0.000 13.177) 14.225 4.895 ( -13.995 0.000 5.292) 14.962 5.092 ( -12.848 0.000 2.421) 13.075 5.287 ( -16.318 0.000 0.767) 16.336 5.475 ( 2.604 0.000 -8.485) 8.875 5.717 ( 1.013 0.000 -5.355) 5.450 5.871 ( -1.902 0.000 -1.740) 2.578 5.957 ( -3.690 0.000 -13.338) 13.839 6.114 ( 0.643 0.000 -22.197) 22.206 6.194 ( 5.236 0.000 7.197) 8.900 6.314 ( -1.030 0.000 6.025) 6.112 6.462 ( 5.138 0.000 -2.497) 5.713 6.623 ( -2.315 0.000 9.608) 9.883 6.628 ( -6.597 0.000 -4.670) 8.082 6.805 ( -1.450 0.000 2.360) 2.770 6.952 ( 0.422 0.000 13.389) 13.396 6.984 ( -0.284 0.000 -5.278) 5.286 7.159 ( -2.502 0.000 11.123) 11.401 7.317 ( 8.455 0.000 -1.818) 8.649 7.473 ( -0.195 0.000 -6.048) 6.051 7.486 ( 1.356 0.000 5.682) 5.842 7.748 ( 4.131 0.000 1.511) 4.398 7.838 ( 2.019 0.000 2.445) 3.171 7.961 ( 9.041 0.000 0.387) 9.050 8.030 ( 7.247 0.000 2.503) 7.667 8.051 ( 7.070 0.000 0.836) 7.119 8.226 ( 11.474 0.000 1.771) 11.609 8.230 ( 5.607 0.000 -7.499) 9.364 8.298 ( 0.272 0.000 -7.560) 7.565 8.330 ( 10.625 0.000 9.692) 14.382 8.614 ( 5.695 0.000 -1.900) 6.003 8.706 ( -4.320 0.000 -5.585) 7.061 8.796 ( 15.805 0.000 1.646) 15.890 9.034 ( -2.168 0.000 7.944) 8.234 9.064 ( -0.387 0.000 -4.266) 4.284 9.530 ( 3.828 0.000 -4.809) 6.146 9.839 ( 4.600 0.000 0.476) 4.624 10.033 ( -1.451 0.000 -1.160) 1.858 10.042 ( -7.487 0.000 6.474) 9.898 10.223 ( 2.249 0.000 -3.636) 4.275 10.321 ( 3.176 0.000 -2.950) 4.335 10.416 ( -3.649 0.000 0.490) 3.682 10.879 ( -0.576 0.000 -0.701) 0.908 10.998 ( -0.146 0.000 -1.492) 1.499 11.305 ( -3.770 0.000 0.144) 3.773 11.457 ( -0.354 0.000 0.824) 0.897 11.512 ( -0.235 0.000 2.801) 2.811 11.918 ( 3.023 0.000 -11.050) 11.456 11.972 ( -0.109 0.000 -1.324) 1.328 12.033 ( -7.114 0.000 -5.661) 9.092 12.085 ( -1.931 0.000 3.920) 4.370 12.244 ( -2.062 0.000 7.641) 7.915 12.481 ( -9.016 0.000 0.766) 9.048 12.536 ( -11.748 0.000 7.865) 14.137 14.008 ( 3.219 0.000 12.057) 12.479 14.025 ( -18.277 0.000 -4.110) 18.734 14.374 ( -1.382 0.000 -20.655) 20.701 14.448 ( 2.047 0.000 -8.572) 8.813 14.985 ( -4.664 0.000 19.378) 19.931 15.055 ( 4.534 0.000 0.540) 4.566 15.841 ( 16.894 0.000 2.838) 17.131 16.409 ( -1.784 0.000 -9.136) 9.309 16.670 ( -3.050 0.000 -13.706) 14.041 17.027 ( 1.953 0.000 -8.112) 8.344 17.237 ( 14.782 0.000 16.859) 22.422 17.418 ( 6.802 0.000 7.873) 10.404 19.246 ( -3.934 0.000 -6.368) 7.486 19.743 ( 18.274 0.000 15.942) 24.250 20.747 ( -26.349 0.000 -14.558) 30.104 21.217 ( -16.959 0.000 6.219) 18.064 21.785 ( 0.528 0.000 4.554) 4.584 21.794 ( 4.649 0.000 -1.911) 5.026 22.035 ( -3.123 0.000 1.120) 3.318 22.085 ( -1.255 0.000 0.295) 1.289 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.144 0.000 8.344) 8.917 1.313 ( -7.310 0.000 5.445) 9.115 1.398 ( 2.597 0.000 -20.342) 20.507 1.858 ( -0.819 0.000 -1.229) 1.477 1.887 ( 13.015 0.000 10.876) 16.961 2.016 ( -3.223 0.000 -0.266) 3.234 2.246 ( 6.663 0.000 -5.038) 8.354 2.405 ( 3.158 0.000 -1.744) 3.608 2.564 ( -13.834 0.000 10.620) 17.441 2.860 ( 13.500 0.000 -1.550) 13.589 2.862 ( 12.561 0.000 16.790) 20.969 3.176 ( -6.347 0.000 -0.304) 6.355 3.258 ( 11.127 0.000 5.813) 12.554 3.399 ( -15.350 0.000 -8.021) 17.320 3.466 ( -17.770 0.000 -6.958) 19.084 3.597 ( 5.795 0.000 7.701) 9.638 3.922 ( 2.072 0.000 -2.953) 3.608 3.968 ( 8.449 0.000 -8.755) 12.167 4.155 ( -3.788 0.000 -3.006) 4.836 4.194 ( -0.490 0.000 -7.685) 7.700 4.292 ( -0.459 0.000 3.881) 3.908 4.296 ( 6.469 0.000 -1.404) 6.619 4.546 ( -12.839 0.000 4.356) 13.558 4.741 ( -1.595 0.000 19.511) 19.576 4.903 ( -7.035 0.000 1.193) 7.136 5.114 ( -4.637 0.000 1.580) 4.899 5.479 ( 2.400 0.000 -6.453) 6.885 5.663 ( -1.081 0.000 -19.910) 19.940 5.788 ( -1.646 0.000 -7.687) 7.861 5.834 ( -1.258 0.000 -13.750) 13.808 6.081 ( 5.430 0.000 -7.129) 8.961 6.311 ( -2.262 0.000 2.866) 3.651 6.327 ( 4.480 0.000 3.165) 5.485 6.494 ( -4.406 0.000 0.059) 4.406 6.555 ( 5.783 0.000 -2.784) 6.418 6.627 ( -1.584 0.000 2.348) 2.832 6.817 ( 0.057 0.000 5.943) 5.943 6.953 ( 0.396 0.000 -5.290) 5.305 7.099 ( 1.757 0.000 25.630) 25.690 7.162 ( -4.146 0.000 12.111) 12.801 7.377 ( -0.034 0.000 -3.045) 3.045 7.496 ( -2.563 0.000 1.657) 3.052 7.506 ( 5.702 0.000 -0.125) 5.703 7.795 ( 0.702 0.000 -1.291) 1.470 7.883 ( 0.909 0.000 4.532) 4.622 8.013 ( 3.727 0.000 -7.858) 8.697 8.090 ( -5.847 0.000 -10.321) 11.863 8.160 ( 5.243 0.000 -0.838) 5.309 8.232 ( -2.529 0.000 -4.391) 5.067 8.327 ( 6.970 0.000 3.465) 7.784 8.393 ( 4.343 0.000 2.723) 5.126 8.514 ( 2.554 0.000 2.132) 3.327 8.626 ( -3.369 0.000 2.915) 4.455 8.746 ( 8.696 0.000 5.692) 10.393 8.998 ( 0.581 0.000 4.719) 4.755 9.045 ( -1.025 0.000 4.973) 5.077 9.079 ( 9.493 0.000 -10.071) 13.840 9.538 ( -0.001 0.000 -5.630) 5.630 9.929 ( 3.329 0.000 1.920) 3.843 9.939 ( -6.660 0.000 5.715) 8.776 10.020 ( 0.578 0.000 -0.214) 0.616 10.253 ( 3.794 0.000 -5.587) 6.753 10.351 ( 0.648 0.000 0.603) 0.885 10.361 ( -2.100 0.000 0.397) 2.137 10.875 ( 0.228 0.000 0.153) 0.274 10.994 ( 0.381 0.000 -1.631) 1.675 11.257 ( -1.269 0.000 2.107) 2.460 11.471 ( 0.310 0.000 2.349) 2.369 11.525 ( -0.334 0.000 -0.103) 0.349 11.843 ( -5.570 0.000 -1.366) 5.735 11.907 ( 1.529 0.000 -12.144) 12.240 11.970 ( 0.884 0.000 -1.468) 1.714 12.142 ( 3.487 0.000 3.327) 4.819 12.217 ( -5.635 0.000 0.925) 5.710 12.340 ( -3.652 0.000 1.548) 3.966 12.395 ( -7.547 0.000 4.202) 8.638 13.766 ( -5.970 0.000 -3.324) 6.833 14.030 ( -7.606 0.000 0.214) 7.609 14.253 ( 3.905 0.000 -15.199) 15.693 14.456 ( 3.768 0.000 -6.340) 7.375 15.070 ( -0.484 0.000 24.381) 24.386 15.149 ( 2.768 0.000 6.523) 7.086 16.165 ( 14.220 0.000 6.551) 15.657 16.355 ( 1.128 0.000 -5.655) 5.766 16.477 ( -6.766 0.000 -18.014) 19.243 16.931 ( -4.151 0.000 -16.217) 16.740 17.577 ( 8.009 0.000 22.353) 23.744 17.635 ( 8.365 0.000 19.709) 21.411 19.137 ( -2.733 0.000 -12.004) 12.311 19.999 ( -13.255 0.000 -11.388) 17.475 20.335 ( 7.463 0.000 2.576) 7.895 20.966 ( -12.948 0.000 1.976) 13.098 21.826 ( 0.623 0.000 1.387) 1.521 21.866 ( 3.674 0.000 -1.326) 3.906 21.989 ( -2.103 0.000 1.794) 2.764 22.056 ( -1.698 0.000 0.169) 1.707 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -20.930 0.000 0.273) 20.932 1.209 ( -12.765 0.000 -5.430) 13.872 1.378 ( 5.702 0.000 8.671) 10.378 1.787 ( -2.096 0.000 -5.861) 6.224 1.954 ( 1.719 0.000 -4.795) 5.094 2.277 ( 12.759 0.000 8.743) 15.467 2.309 ( 3.394 0.000 -3.901) 5.171 2.492 ( 5.284 0.000 -1.821) 5.588 2.509 ( 2.401 0.000 14.720) 14.914 2.688 ( -34.130 0.000 1.323) 34.155 2.803 ( -17.059 0.000 5.073) 17.797 3.061 ( -8.304 0.000 -15.817) 17.864 3.238 ( 3.882 0.000 7.556) 8.495 3.326 ( 8.000 0.000 6.103) 10.062 3.619 ( 14.882 0.000 4.498) 15.547 3.755 ( 1.600 0.000 4.457) 4.736 3.890 ( 3.821 0.000 -9.097) 9.867 3.992 ( -4.072 0.000 -9.086) 9.957 4.080 ( -0.260 0.000 -1.953) 1.970 4.204 ( 5.748 0.000 -0.444) 5.765 4.282 ( -3.168 0.000 2.973) 4.345 4.442 ( 4.896 0.000 0.291) 4.904 4.502 ( 11.597 0.000 5.842) 12.986 4.877 ( 4.091 0.000 -0.566) 4.130 4.918 ( 6.577 0.000 17.072) 18.295 5.102 ( 1.893 0.000 4.277) 4.677 5.436 ( -2.025 0.000 -25.066) 25.147 5.505 ( 0.956 0.000 -7.556) 7.617 5.737 ( -1.147 0.000 -12.886) 12.937 5.784 ( 2.851 0.000 -2.443) 3.754 6.160 ( 6.380 0.000 -6.595) 9.176 6.296 ( -0.191 0.000 4.072) 4.076 6.341 ( 1.055 0.000 -11.394) 11.443 6.484 ( 0.922 0.000 6.369) 6.436 6.589 ( -2.720 0.000 -2.269) 3.542 6.675 ( 6.069 0.000 3.303) 6.910 6.860 ( -0.750 0.000 7.964) 7.999 6.938 ( 0.493 0.000 -1.993) 2.053 7.119 ( -7.643 0.000 15.036) 16.867 7.292 ( 0.191 0.000 21.206) 21.207 7.363 ( 0.150 0.000 0.138) 0.204 7.419 ( -5.316 0.000 -1.861) 5.632 7.593 ( 2.583 0.000 1.090) 2.804 7.759 ( -2.390 0.000 -4.551) 5.140 7.839 ( -8.529 0.000 -11.891) 14.633 7.932 ( 0.971 0.000 5.804) 5.885 8.056 ( 2.024 0.000 -4.056) 4.533 8.127 ( -5.145 0.000 -4.459) 6.808 8.186 ( -2.056 0.000 -3.507) 4.065 8.405 ( -0.924 0.000 4.452) 4.546 8.449 ( -0.091 0.000 3.657) 3.658 8.501 ( -5.366 0.000 0.323) 5.376 8.561 ( -2.234 0.000 -0.772) 2.363 8.942 ( 4.942 0.000 9.477) 10.688 8.998 ( -2.028 0.000 4.196) 4.661 9.029 ( -4.236 0.000 5.038) 6.582 9.133 ( 0.769 0.000 -8.388) 8.423 9.486 ( -0.082 0.000 -7.738) 7.738 9.891 ( -2.000 0.000 5.058) 5.440 9.941 ( -3.301 0.000 2.036) 3.878 10.054 ( 2.506 0.000 1.222) 2.788 10.286 ( 3.193 0.000 -6.176) 6.952 10.342 ( -2.062 0.000 0.217) 2.073 10.363 ( 1.930 0.000 1.060) 2.202 10.886 ( 0.459 0.000 1.285) 1.365 10.977 ( -0.807 0.000 -2.361) 2.495 11.305 ( 3.704 0.000 4.653) 5.948 11.462 ( -4.417 0.000 -3.297) 5.512 11.492 ( 0.777 0.000 2.580) 2.695 11.833 ( 3.730 0.000 -1.380) 3.977 11.881 ( 3.309 0.000 -10.242) 10.763 11.986 ( 2.112 0.000 -3.723) 4.281 12.118 ( -3.162 0.000 2.477) 4.017 12.220 ( 3.070 0.000 0.338) 3.089 12.326 ( -2.430 0.000 5.603) 6.107 12.339 ( 0.714 0.000 -0.484) 0.862 13.790 ( 9.565 0.000 -0.972) 9.614 13.816 ( -9.917 0.000 -8.263) 12.908 14.310 ( 8.430 0.000 -9.027) 12.351 14.502 ( 4.261 0.000 -4.729) 6.365 15.228 ( 1.206 0.000 9.842) 9.916 15.229 ( 1.191 0.000 24.823) 24.851 16.154 ( -15.357 0.000 -2.614) 15.578 16.387 ( 5.288 0.000 -4.974) 7.260 16.492 ( 15.743 0.000 -8.265) 17.781 16.698 ( -9.643 0.000 -17.728) 20.181 17.753 ( -3.574 0.000 21.088) 21.389 17.971 ( 10.304 0.000 37.909) 39.284 18.979 ( -4.569 0.000 -20.895) 21.389 19.489 ( -19.831 0.000 -23.897) 31.054 20.715 ( 19.762 0.000 9.792) 22.055 20.762 ( -8.547 0.000 -6.435) 10.699 21.788 ( -5.003 0.000 0.247) 5.009 21.885 ( -1.275 0.000 -0.398) 1.336 22.003 ( 1.905 0.000 1.984) 2.751 22.049 ( 1.079 0.000 -0.121) 1.086 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -21.056 0.000 3.063) 21.278 0.955 ( -17.553 0.000 15.397) 23.349 1.493 ( 0.089 0.000 7.063) 7.063 1.717 ( -2.064 0.000 -6.450) 6.772 1.803 ( -29.006 0.000 0.204) 29.007 2.116 ( -10.204 0.000 -3.154) 10.680 2.178 ( -16.822 0.000 -6.247) 17.944 2.538 ( 14.626 0.000 -0.191) 14.628 2.545 ( 2.335 0.000 4.670) 5.221 2.585 ( -5.144 0.000 -5.497) 7.529 2.761 ( 10.241 0.000 14.146) 17.464 2.956 ( 4.718 0.000 -3.140) 5.667 3.342 ( 0.346 0.000 9.434) 9.440 3.476 ( 4.386 0.000 1.339) 4.586 3.659 ( -6.658 0.000 -3.970) 7.752 3.732 ( -5.539 0.000 3.560) 6.584 3.807 ( -7.152 0.000 -8.101) 10.806 3.877 ( -4.015 0.000 -6.074) 7.281 4.229 ( 13.810 0.000 0.147) 13.811 4.281 ( 5.177 0.000 7.221) 8.885 4.423 ( 11.775 0.000 -3.556) 12.301 4.510 ( -0.495 0.000 2.284) 2.337 4.742 ( 9.755 0.000 5.557) 11.227 5.015 ( 9.368 0.000 -1.644) 9.511 5.206 ( 16.032 0.000 -1.824) 16.136 5.243 ( 8.947 0.000 18.590) 20.631 5.290 ( 6.240 0.000 -24.198) 24.989 5.517 ( 2.129 0.000 -1.435) 2.568 5.639 ( -1.039 0.000 -10.647) 10.698 5.832 ( 3.313 0.000 -1.963) 3.851 6.232 ( 6.983 0.000 -6.839) 9.774 6.295 ( 2.039 0.000 -12.978) 13.137 6.372 ( 3.072 0.000 9.049) 9.556 6.506 ( -1.789 0.000 -9.151) 9.324 6.566 ( 5.031 0.000 3.684) 6.236 6.763 ( 1.861 0.000 -0.901) 2.068 6.841 ( -6.430 0.000 4.107) 7.629 6.969 ( 1.218 0.000 7.980) 8.073 7.051 ( -7.161 0.000 8.099) 10.811 7.281 ( -8.955 0.000 7.144) 11.456 7.317 ( -5.687 0.000 5.618) 7.994 7.381 ( 1.145 0.000 0.241) 1.170 7.599 ( -2.839 0.000 2.110) 3.537 7.664 ( -4.138 0.000 -6.358) 7.586 7.754 ( 0.752 0.000 2.096) 2.227 7.924 ( -5.998 0.000 -4.026) 7.224 8.025 ( -3.276 0.000 -2.535) 4.143 8.036 ( -0.124 0.000 -1.220) 1.226 8.109 ( -4.160 0.000 4.383) 6.043 8.280 ( -13.333 0.000 -0.047) 13.333 8.385 ( -8.536 0.000 -2.006) 8.768 8.402 ( -3.499 0.000 0.834) 3.597 8.561 ( -0.471 0.000 0.372) 0.600 8.934 ( -6.499 0.000 7.937) 10.258 8.971 ( -4.231 0.000 4.733) 6.348 9.040 ( -1.016 0.000 5.668) 5.758 9.075 ( 0.187 0.000 -6.897) 6.900 9.463 ( 2.824 0.000 -8.439) 8.899 9.865 ( -4.988 0.000 0.962) 5.080 9.911 ( 0.693 0.000 3.773) 3.836 10.108 ( 1.980 0.000 1.975) 2.797 10.226 ( -4.506 0.000 -13.800) 14.517 10.324 ( -0.140 0.000 1.820) 1.826 10.426 ( 3.379 0.000 1.707) 3.786 10.906 ( 0.574 0.000 2.077) 2.154 10.958 ( 1.018 0.000 -3.279) 3.434 11.376 ( -0.316 0.000 5.134) 5.144 11.390 ( -0.478 0.000 -1.454) 1.531 11.558 ( 4.790 0.000 1.700) 5.083 11.847 ( 2.080 0.000 -7.477) 7.761 11.933 ( 4.490 0.000 -5.596) 7.174 11.990 ( 1.439 0.000 -4.331) 4.564 12.166 ( 3.139 0.000 10.640) 11.094 12.273 ( 3.712 0.000 1.939) 4.188 12.332 ( 0.718 0.000 -5.552) 5.598 12.365 ( 1.258 0.000 6.170) 6.297 13.629 ( -5.817 0.000 -3.674) 6.880 14.052 ( 17.600 0.000 -0.371) 17.604 14.442 ( 12.057 0.000 -9.370) 15.270 14.530 ( 1.288 0.000 -3.935) 4.141 15.331 ( 3.292 0.000 10.203) 10.721 15.379 ( -0.286 0.000 20.823) 20.825 15.836 ( -15.018 0.000 -8.760) 17.386 16.351 ( -5.489 0.000 -24.737) 25.338 16.523 ( 2.421 0.000 2.301) 3.340 16.699 ( 9.524 0.000 -2.288) 9.795 17.677 ( -15.647 0.000 13.114) 20.416 18.480 ( 9.117 0.000 56.238) 56.973 18.721 ( -1.149 0.000 -25.737) 25.763 19.100 ( -8.977 0.000 -15.121) 17.585 20.544 ( -9.005 0.000 -17.618) 19.786 21.098 ( 16.388 0.000 6.090) 17.483 21.677 ( -6.684 0.000 0.681) 6.719 21.841 ( -2.950 0.000 0.626) 3.016 22.053 ( 2.018 0.000 1.410) 2.462 22.073 ( 1.194 0.000 -0.196) 1.210 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -2.981 0.000 21.313) 21.520 0.726 ( -24.094 0.000 20.308) 31.511 1.105 ( -38.075 0.000 29.079) 47.910 1.431 ( -8.542 0.000 1.537) 8.679 1.705 ( 1.513 0.000 -14.633) 14.711 1.806 ( -16.271 0.000 -5.952) 17.326 2.059 ( -1.940 0.000 -12.098) 12.252 2.489 ( -0.096 0.000 -9.956) 9.957 2.679 ( 7.324 0.000 8.358) 11.113 2.776 ( 9.400 0.000 -0.184) 9.401 2.980 ( 7.478 0.000 5.918) 9.536 3.107 ( 8.206 0.000 5.441) 9.846 3.364 ( -3.232 0.000 8.997) 9.560 3.473 ( -5.100 0.000 -4.943) 7.102 3.554 ( 0.235 0.000 -2.675) 2.686 3.570 ( -7.997 0.000 -1.403) 8.120 3.677 ( -5.912 0.000 -0.218) 5.916 3.745 ( -5.108 0.000 -6.805) 8.509 4.379 ( -3.580 0.000 -6.545) 7.460 4.432 ( 7.868 0.000 -2.679) 8.312 4.467 ( 3.652 0.000 8.493) 9.245 4.632 ( 6.648 0.000 -0.244) 6.653 4.831 ( 0.798 0.000 -6.884) 6.931 5.212 ( 14.075 0.000 0.240) 14.077 5.294 ( -1.749 0.000 0.034) 1.750 5.387 ( 10.418 0.000 -9.500) 14.099 5.559 ( 2.266 0.000 -0.036) 2.266 5.607 ( 9.181 0.000 14.563) 17.215 5.729 ( 22.646 0.000 -7.400) 23.824 5.863 ( 0.767 0.000 -0.740) 1.065 6.259 ( 1.553 0.000 -9.426) 9.553 6.297 ( 0.486 0.000 -3.002) 3.041 6.473 ( 12.395 0.000 -9.970) 15.907 6.519 ( 2.580 0.000 5.851) 6.395 6.696 ( 3.577 0.000 3.330) 4.887 6.701 ( -6.537 0.000 -1.151) 6.638 6.757 ( 1.910 0.000 -6.110) 6.402 6.961 ( -6.906 0.000 4.531) 8.260 7.025 ( -2.222 0.000 8.604) 8.886 7.206 ( -5.397 0.000 13.093) 14.162 7.268 ( -1.936 0.000 4.581) 4.973 7.351 ( -3.781 0.000 -11.364) 11.976 7.533 ( -5.725 0.000 1.033) 5.818 7.560 ( -3.623 0.000 -0.987) 3.755 7.662 ( -15.659 0.000 0.702) 15.674 7.772 ( -5.008 0.000 -3.133) 5.907 7.974 ( 0.116 0.000 1.202) 1.208 8.018 ( 1.217 0.000 -5.176) 5.317 8.068 ( -9.649 0.000 3.702) 10.335 8.073 ( -5.888 0.000 -3.979) 7.106 8.215 ( -3.957 0.000 0.131) 3.959 8.326 ( -5.160 0.000 -0.926) 5.242 8.522 ( -3.052 0.000 1.947) 3.620 8.772 ( -20.166 0.000 -24.774) 31.944 8.917 ( -2.259 0.000 11.316) 11.539 9.012 ( -3.785 0.000 2.463) 4.516 9.064 ( 0.977 0.000 -4.714) 4.814 9.491 ( 4.049 0.000 -8.361) 9.290 9.795 ( -2.865 0.000 0.452) 2.900 9.922 ( -1.096 0.000 -1.432) 1.803 10.032 ( -3.472 0.000 -3.112) 4.662 10.138 ( 0.091 0.000 1.147) 1.150 10.328 ( -0.975 0.000 2.459) 2.645 10.486 ( 1.979 0.000 1.023) 2.228 10.920 ( -0.278 0.000 1.105) 1.139 10.975 ( 2.832 0.000 -3.799) 4.739 11.375 ( -2.503 0.000 5.382) 5.936 11.474 ( 8.696 0.000 3.255) 9.285 11.631 ( 2.165 0.000 -1.543) 2.659 11.842 ( 2.226 0.000 -8.119) 8.419 11.977 ( 4.876 0.000 1.484) 5.097 11.992 ( 0.513 0.000 -1.422) 1.512 12.251 ( -0.741 0.000 0.874) 1.146 12.378 ( 6.336 0.000 7.172) 9.570 12.384 ( 2.317 0.000 6.242) 6.658 12.428 ( 6.109 0.000 8.417) 10.401 13.584 ( 0.085 0.000 6.594) 6.595 14.350 ( 12.230 0.000 0.243) 12.232 14.522 ( 2.124 0.000 -3.497) 4.092 14.638 ( 15.064 0.000 -8.966) 17.531 15.379 ( -4.457 0.000 -2.023) 4.895 15.428 ( -9.948 0.000 3.897) 10.684 15.479 ( -15.194 0.000 -12.074) 19.407 16.187 ( 4.942 0.000 -13.329) 14.215 16.611 ( 5.025 0.000 -0.899) 5.104 16.785 ( -0.858 0.000 0.570) 1.030 17.388 ( -19.495 0.000 4.595) 20.029 18.027 ( -34.539 0.000 -44.896) 56.644 18.982 ( 0.536 0.000 -1.237) 1.348 19.730 ( 68.241 0.000 91.652) 114.267 20.180 ( -15.951 0.000 -17.472) 23.658 21.364 ( 9.440 0.000 2.782) 9.842 21.576 ( -4.560 0.000 1.840) 4.917 21.793 ( -3.002 0.000 1.381) 3.304 22.084 ( 0.177 0.000 0.012) 0.177 22.085 ( 0.751 0.000 0.748) 1.059 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 1.367 11.635 15.274) 19.250 0.896 ( 1.789 21.981 21.137) 30.547 1.387 ( -1.606 22.219 22.474) 31.644 1.481 ( 0.915 20.281 7.750) 21.730 1.545 ( -5.237 4.534 -9.090) 11.428 1.645 ( 2.209 10.158 -3.605) 11.003 2.000 ( -2.278 13.395 -15.939) 20.945 2.463 ( 0.156 0.662 -5.679) 5.719 2.736 ( -3.895 -6.244 -2.649) 7.822 2.928 ( -3.365 6.341 8.240) 10.928 3.128 ( 0.854 -0.500 1.831) 2.082 3.276 ( -0.971 2.215 5.612) 6.111 3.352 ( 5.387 -2.899 0.411) 6.132 3.387 ( -2.810 6.203 0.092) 6.810 3.481 ( -0.410 3.593 1.467) 3.902 3.599 ( 2.068 -2.249 -2.524) 3.963 3.652 ( 2.872 1.219 -0.525) 3.164 3.730 ( 2.164 10.333 -1.275) 10.634 4.255 ( -4.603 -0.439 -3.699) 5.922 4.278 ( -4.811 -11.558 -2.321) 12.733 4.424 ( 1.486 -3.833 -0.925) 4.214 4.571 ( -3.281 -7.349 -1.187) 8.135 4.863 ( 2.771 3.919 -1.746) 5.107 5.210 ( -7.630 -4.776 -1.398) 9.109 5.373 ( 7.932 -6.222 -3.527) 10.680 5.512 ( -2.653 1.577 0.339) 3.105 5.553 ( 3.579 -0.051 -4.137) 5.470 5.661 ( 1.136 1.035 -2.637) 3.053 5.804 ( -1.010 -9.181 6.991) 11.584 5.997 ( 8.962 -5.081 -3.766) 10.969 6.176 ( 6.100 -6.072 -4.102) 9.534 6.303 ( -4.559 -11.374 -2.687) 12.544 6.376 ( -9.883 -1.889 -13.288) 16.668 6.524 ( 2.112 4.100 2.581) 5.285 6.605 ( -2.525 -6.062 1.631) 6.766 6.760 ( -5.073 -4.662 6.385) 9.393 6.840 ( -5.953 -1.099 -1.570) 6.253 6.916 ( 7.158 -7.796 -0.998) 10.630 6.940 ( 8.215 -1.530 -5.231) 9.858 7.012 ( 1.069 -5.783 7.081) 9.205 7.142 ( -0.725 -2.262 1.943) 3.069 7.255 ( -10.727 6.843 -3.682) 13.246 7.397 ( 6.254 -1.328 7.803) 10.088 7.525 ( -4.284 3.764 -0.529) 5.727 7.641 ( -4.859 0.895 -4.149) 6.452 7.704 ( 0.479 -2.835 3.739) 4.716 7.829 ( -1.211 -0.428 -3.371) 3.607 7.915 ( -1.755 2.640 1.261) 3.411 8.011 ( -1.898 8.283 -3.421) 9.160 8.070 ( 3.584 1.523 0.222) 3.901 8.281 ( -7.256 1.058 4.994) 8.872 8.353 ( 5.255 6.844 -0.015) 8.629 8.514 ( 5.060 17.682 -3.248) 18.676 8.649 ( 0.016 12.676 0.544) 12.688 8.805 ( -2.726 -3.923 0.457) 4.799 8.986 ( -1.814 0.723 3.572) 4.071 9.240 ( 0.666 11.558 0.663) 11.597 9.467 ( 1.817 -0.476 -5.181) 5.511 9.766 ( -0.196 0.210 -0.199) 0.349 9.983 ( 6.006 -5.276 -2.456) 8.363 10.042 ( 0.214 0.897 2.466) 2.633 10.200 ( 0.338 4.462 -1.303) 4.660 10.316 ( -2.931 4.103 6.113) 7.924 10.546 ( 1.545 -0.081 4.008) 4.296 10.965 ( -0.969 4.639 0.408) 4.757 11.075 ( -0.237 2.631 0.013) 2.641 11.335 ( -1.242 -2.024 3.815) 4.494 11.468 ( -0.162 -2.317 0.477) 2.371 11.782 ( -0.382 1.515 -7.622) 7.781 11.860 ( 2.207 1.080 -7.649) 8.034 12.041 ( -0.431 0.303 -2.561) 2.615 12.114 ( 1.983 5.202 -2.111) 5.955 12.159 ( -2.174 -5.074 0.656) 5.559 12.375 ( -1.202 -1.040 2.959) 3.359 12.510 ( -0.554 2.076 2.089) 2.997 12.970 ( 10.775 5.593 -10.636) 16.140 13.772 ( 3.014 7.718 14.500) 16.700 14.381 ( -13.948 -7.921 2.859) 16.293 14.526 ( 6.801 -5.438 -2.457) 9.048 14.645 ( -7.714 6.305 -0.547) 9.978 14.875 ( 8.942 -0.868 -2.737) 9.391 15.153 ( -12.287 -1.855 -16.613) 20.746 15.397 ( -3.399 -2.016 10.072) 10.820 15.919 ( -2.275 -24.402 27.529) 36.857 16.391 ( 14.231 1.347 1.517) 14.375 16.715 ( -7.794 -10.720 3.405) 13.684 17.353 ( 0.701 13.789 -2.150) 13.973 17.670 ( -0.778 18.568 -16.812) 25.060 18.716 ( 4.635 -18.159 24.749) 31.044 19.769 ( -12.935 2.746 -17.605) 22.018 20.788 ( 14.052 -17.411 26.425) 34.625 21.507 ( -0.592 -0.587 -2.449) 2.587 21.765 ( -1.047 1.445 1.055) 2.073 22.057 ( -0.481 -1.718 -1.883) 2.594 22.109 ( 0.321 2.192 0.299) 2.235 22.407 ( 7.303 12.079 -24.590) 28.353 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 24.204 7.122 14.383) 29.042 1.064 ( 3.685 25.355 14.257) 29.321 1.454 ( 3.151 3.934 -8.155) 9.587 1.572 ( 11.581 6.089 8.585) 15.649 1.746 ( 8.336 19.615 12.172) 24.544 1.808 ( 15.082 8.360 -9.555) 19.714 1.889 ( 6.822 16.594 -4.499) 18.497 2.446 ( 1.220 -4.134 -2.776) 5.127 2.582 ( -10.569 -2.783 -2.736) 11.266 2.739 ( -14.810 2.294 1.407) 15.053 3.096 ( -11.760 3.679 5.307) 13.417 3.233 ( -3.649 -3.882 -0.562) 5.357 3.361 ( 0.080 0.317 10.279) 10.285 3.375 ( 0.268 -1.067 -6.753) 6.842 3.513 ( 1.116 4.090 -2.784) 5.072 3.701 ( 9.413 1.447 3.924) 10.300 3.782 ( 7.130 8.243 -4.177) 11.672 3.881 ( 14.208 5.962 -2.199) 15.564 4.135 ( -8.397 -9.871 -0.818) 12.985 4.199 ( -1.648 -3.531 -1.987) 4.374 4.397 ( -3.291 -1.205 -4.152) 5.434 4.458 ( -6.702 -7.826 -2.828) 10.685 4.835 ( -5.481 8.102 -0.463) 9.792 5.069 ( -9.309 -3.264 3.818) 10.578 5.271 ( -11.439 0.308 1.324) 11.519 5.445 ( 1.493 -5.754 -5.090) 7.826 5.547 ( -11.357 -6.704 -0.291) 13.191 5.657 ( 3.002 -0.673 -4.932) 5.812 5.824 ( -2.015 -9.421 3.060) 10.108 6.035 ( -5.911 -9.536 -9.836) 14.921 6.063 ( -5.915 -2.670 2.153) 6.837 6.168 ( 1.421 4.045 -3.631) 5.618 6.294 ( 1.058 -7.119 -3.190) 7.873 6.483 ( -7.561 -3.846 0.005) 8.483 6.586 ( 1.675 3.224 -6.687) 7.610 6.752 ( 0.641 -4.757 12.257) 13.164 6.777 ( -4.397 -4.289 -5.868) 8.495 6.852 ( 1.113 -0.819 3.207) 3.492 7.047 ( 0.853 -1.160 -3.967) 4.221 7.136 ( 2.208 6.355 -0.046) 6.728 7.236 ( 7.222 -6.235 8.031) 12.471 7.332 ( 10.776 1.987 -0.169) 10.959 7.516 ( 2.403 -0.327 4.977) 5.536 7.605 ( 7.118 0.821 2.857) 7.713 7.662 ( 10.752 -2.127 0.307) 10.965 7.757 ( 5.624 -6.377 -2.237) 8.792 7.848 ( 2.979 -4.932 0.936) 5.837 7.915 ( -0.346 5.143 -1.429) 5.349 7.993 ( 6.648 4.359 -3.449) 8.666 8.172 ( 0.416 -0.021 2.722) 2.754 8.215 ( 2.004 4.399 2.724) 5.549 8.441 ( 6.565 9.413 -5.261) 12.624 8.620 ( -1.391 6.151 2.087) 6.643 8.650 ( 7.153 7.039 0.521) 10.049 8.816 ( 3.826 6.570 -5.516) 9.393 9.006 ( 1.191 1.053 4.590) 4.857 9.238 ( -1.261 10.403 -1.144) 10.542 9.481 ( 3.455 0.154 -4.250) 5.480 9.781 ( 1.944 0.621 0.431) 2.085 10.015 ( -0.731 -4.809 -1.173) 5.003 10.094 ( 3.151 -3.063 -2.026) 4.839 10.221 ( 3.234 3.262 -1.225) 4.753 10.287 ( -4.222 6.295 6.878) 10.235 10.555 ( -2.379 1.805 1.178) 3.210 10.945 ( -1.389 4.603 0.547) 4.839 11.059 ( -1.549 2.308 0.377) 2.805 11.329 ( -1.814 -1.457 3.793) 4.449 11.471 ( -0.085 -1.376 1.972) 2.406 11.655 ( -6.045 6.860 -9.025) 12.847 11.881 ( 4.651 -1.193 -8.938) 10.146 11.999 ( -1.701 0.032 -3.076) 3.515 12.069 ( -1.368 -1.060 -3.383) 3.800 12.175 ( -2.852 -3.077 10.271) 11.095 12.281 ( -7.604 2.731 -2.509) 8.460 12.521 ( -2.265 -2.400 7.011) 7.749 12.823 ( -14.600 3.977 0.292) 15.135 13.935 ( 4.824 8.053 14.627) 17.380 14.333 ( 0.809 -2.312 -3.363) 4.160 14.435 ( -12.751 -0.135 -2.336) 12.964 14.635 ( 4.191 6.396 -8.044) 11.098 14.887 ( -0.952 -5.021 -5.163) 7.265 15.019 ( 2.107 0.385 -4.687) 5.154 15.437 ( 2.809 -7.416 6.567) 10.296 16.080 ( 4.311 -27.542 10.136) 29.663 16.483 ( -4.884 -4.923 -4.715) 8.386 16.825 ( 16.811 -3.661 12.601) 21.326 17.387 ( 4.352 11.609 -3.561) 12.899 17.652 ( 6.781 27.114 -14.608) 31.536 18.987 ( 6.157 -18.711 21.607) 29.238 19.520 ( -2.400 -0.135 -10.224) 10.502 20.998 ( -3.536 -13.310 13.613) 19.364 21.397 ( -11.126 -3.042 -5.172) 12.641 21.737 ( -1.633 3.422 -0.177) 3.796 21.965 ( -7.016 0.902 -2.653) 7.555 22.101 ( -1.341 2.616 0.038) 2.939 22.225 ( -6.476 8.791 -5.246) 12.113 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.975 22.507 8.920) 24.290 1.452 ( 13.007 7.480 13.939) 20.480 1.509 ( 8.755 9.156 -2.629) 12.938 1.694 ( 1.514 15.990 -12.171) 20.152 1.801 ( 10.214 1.268 -2.838) 10.676 2.094 ( 14.456 5.308 -8.016) 17.361 2.299 ( -1.102 4.514 -5.583) 7.264 2.336 ( 7.929 0.049 22.168) 23.544 2.495 ( -10.495 1.082 1.114) 10.609 2.559 ( 11.492 -2.335 4.775) 12.662 2.873 ( -13.122 4.285 4.080) 14.395 3.129 ( -4.812 -4.420 -0.065) 6.534 3.306 ( -3.655 -1.049 -7.429) 8.345 3.439 ( 1.039 -2.873 9.719) 10.188 3.544 ( 1.992 0.562 -2.863) 3.533 3.765 ( -8.109 0.254 -2.414) 8.465 3.891 ( 3.750 4.824 -4.849) 7.800 3.972 ( 2.859 0.812 -6.935) 7.545 4.091 ( -0.565 -4.725 3.887) 6.145 4.162 ( 2.524 -4.214 0.540) 4.942 4.320 ( -4.679 -1.822 -5.335) 7.327 4.330 ( 0.186 1.216 -2.496) 2.783 4.723 ( -7.724 6.347 4.465) 10.949 4.884 ( -13.358 -0.302 6.121) 14.697 5.064 ( -12.606 -2.408 2.453) 13.066 5.290 ( -12.206 -0.141 -0.709) 12.227 5.432 ( 0.831 -5.377 -6.772) 8.687 5.653 ( -1.296 -4.047 -0.150) 4.253 5.748 ( -2.810 -8.627 -11.006) 14.264 5.958 ( 2.611 -1.407 -8.077) 8.604 6.050 ( 2.951 -8.031 6.723) 10.881 6.161 ( 1.706 3.499 -13.123) 13.688 6.336 ( -2.004 2.353 5.447) 6.263 6.358 ( -2.319 -17.638 2.466) 17.960 6.584 ( 2.464 4.505 -9.039) 10.396 6.649 ( -4.002 4.347 -3.845) 7.050 6.855 ( 1.742 -1.424 11.641) 11.857 6.942 ( 3.665 -6.239 6.156) 9.500 7.018 ( -2.356 6.010 -3.218) 7.213 7.203 ( 3.556 6.334 5.565) 9.150 7.309 ( -3.394 -3.938 7.912) 9.467 7.437 ( 5.081 3.407 -4.218) 7.431 7.589 ( 4.558 -1.208 0.524) 4.744 7.783 ( 3.893 -0.593 1.919) 4.381 7.821 ( 1.960 3.046 -0.217) 3.628 7.913 ( 12.397 -5.670 7.734) 15.674 7.919 ( 4.707 -6.331 -2.156) 8.178 7.934 ( 5.756 -9.613 0.484) 11.215 8.090 ( 3.227 -1.053 -3.605) 4.951 8.182 ( -0.250 -7.152 -2.845) 7.701 8.334 ( 7.764 4.984 1.659) 9.374 8.527 ( 6.110 8.391 0.130) 10.381 8.639 ( 1.312 2.994 -5.365) 6.282 8.723 ( 1.555 4.438 5.264) 7.059 8.931 ( 9.308 8.557 -0.036) 12.644 9.068 ( 3.332 5.831 2.613) 7.206 9.175 ( -2.453 8.185 -6.103) 10.501 9.543 ( 5.061 1.385 -3.450) 6.279 9.845 ( 4.396 0.705 1.290) 4.635 9.987 ( -1.995 -2.439 0.919) 3.282 10.090 ( -1.760 0.428 -1.469) 2.332 10.231 ( -1.656 2.452 -0.628) 3.025 10.309 ( 3.206 3.423 2.223) 5.190 10.492 ( -4.160 2.478 -0.113) 4.844 10.922 ( -1.218 3.693 0.083) 3.890 11.032 ( -1.477 2.422 0.485) 2.878 11.312 ( -2.487 0.141 3.401) 4.216 11.481 ( 0.086 1.262 -0.244) 1.288 11.534 ( -2.142 2.969 -1.875) 4.113 11.891 ( 1.288 -2.351 -8.541) 8.951 11.969 ( 0.730 -0.639 -2.409) 2.597 12.040 ( -1.058 -1.782 -2.314) 3.106 12.088 ( -8.299 1.528 1.120) 8.512 12.202 ( -2.183 -1.900 6.987) 7.562 12.492 ( -4.438 0.877 3.664) 5.822 12.566 ( -13.835 2.059 1.956) 14.123 13.973 ( -14.342 -0.158 0.932) 14.373 14.163 ( 0.881 8.527 4.570) 9.715 14.391 ( 1.482 3.415 -13.331) 13.841 14.606 ( 0.601 11.891 -10.731) 16.028 14.894 ( 0.755 -6.728 5.866) 8.959 15.050 ( 0.308 -0.495 9.808) 9.825 15.592 ( 10.857 -18.669 1.841) 21.675 16.133 ( -2.489 -26.296 1.860) 26.479 16.365 ( -3.622 -5.594 -4.792) 8.208 17.236 ( 15.853 -2.237 8.594) 18.171 17.453 ( 5.777 12.139 -3.250) 13.831 17.711 ( 7.615 30.529 -5.605) 31.959 19.026 ( -6.820 -15.373 0.043) 16.818 19.695 ( 18.644 -8.821 10.240) 23.028 20.759 ( -23.131 2.155 -11.716) 26.019 21.131 ( -13.662 -6.151 6.172) 16.204 21.745 ( 2.433 1.601 0.387) 2.938 21.882 ( -1.433 1.064 0.129) 1.789 22.069 ( -2.114 3.277 0.617) 3.948 22.158 ( -1.434 5.959 -0.475) 6.147 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 1.547 14.922 4.194) 15.577 1.479 ( -8.340 13.887 -2.306) 16.362 1.601 ( 2.882 17.738 -10.171) 20.649 1.876 ( 2.509 2.054 0.653) 3.308 1.924 ( 11.379 2.860 4.917) 12.722 2.057 ( -0.046 3.954 1.660) 4.288 2.251 ( 1.370 0.707 -4.586) 4.838 2.386 ( 1.578 -1.209 0.931) 2.195 2.547 ( -9.228 -0.722 11.503) 14.765 2.832 ( 11.939 0.504 5.038) 12.968 2.936 ( 9.634 2.881 7.943) 12.814 3.143 ( -3.621 -2.015 -0.334) 4.157 3.210 ( 9.704 -3.630 1.859) 10.526 3.362 ( -18.522 -1.344 -5.852) 19.471 3.485 ( -12.776 -1.960 -5.323) 13.979 3.539 ( 2.399 -4.232 7.814) 9.204 3.883 ( 3.753 -0.921 -3.991) 5.555 4.051 ( 5.347 1.046 -5.565) 7.788 4.088 ( -0.891 -1.178 -3.564) 3.858 4.166 ( -2.219 -3.932 -5.620) 7.209 4.307 ( 6.262 2.074 -0.271) 6.602 4.358 ( 1.000 3.213 3.757) 5.044 4.519 ( -13.390 -1.582 2.111) 13.648 4.798 ( -2.221 3.243 11.524) 12.176 4.924 ( -3.568 4.301 4.311) 7.058 5.127 ( -5.430 -0.662 -1.722) 5.735 5.416 ( 1.604 -5.833 -6.814) 9.111 5.602 ( -3.607 -4.502 -8.527) 10.295 5.632 ( -0.422 -4.283 -8.204) 9.264 5.992 ( 4.082 3.213 -8.319) 9.808 6.101 ( 1.468 3.628 -10.109) 10.840 6.150 ( 0.768 -11.409 4.877) 12.431 6.287 ( 1.246 -8.331 -1.798) 8.613 6.430 ( 0.361 -6.593 12.849) 14.447 6.537 ( 0.154 2.086 -11.141) 11.335 6.626 ( 1.657 6.284 0.296) 6.505 6.906 ( -1.393 1.702 -6.461) 6.825 6.963 ( 0.420 3.254 3.988) 5.164 7.049 ( 0.016 -3.029 15.625) 15.916 7.251 ( -5.048 -0.412 12.453) 13.444 7.342 ( 3.255 3.679 7.874) 9.281 7.495 ( 3.436 0.108 -2.926) 4.514 7.674 ( 3.529 5.693 -0.897) 6.758 7.764 ( -1.974 0.469 -3.909) 4.404 7.847 ( 0.660 -3.745 3.812) 5.385 7.959 ( 1.779 -5.204 -3.046) 6.286 8.021 ( 3.166 -10.202 2.094) 10.885 8.031 ( -6.145 -6.450 -13.724) 16.362 8.136 ( -0.789 -4.834 0.591) 4.933 8.220 ( 9.967 -6.528 7.092) 13.866 8.421 ( 3.262 4.255 -3.059) 6.172 8.584 ( -2.612 -0.889 -5.208) 5.894 8.702 ( 6.857 1.596 11.456) 13.447 8.774 ( -0.415 10.038 3.868) 10.766 9.041 ( -2.294 2.232 -3.082) 4.443 9.089 ( 3.705 7.710 3.867) 9.388 9.206 ( 7.808 8.780 -5.857) 13.128 9.588 ( 1.537 4.160 -4.383) 6.236 9.931 ( 2.390 0.312 1.933) 3.090 9.951 ( -3.489 0.385 4.371) 5.606 10.052 ( -0.681 2.224 -0.438) 2.367 10.212 ( 0.987 -0.366 -2.974) 3.155 10.359 ( 1.303 1.033 -0.158) 1.670 10.426 ( -2.426 3.474 -0.168) 4.241 10.912 ( 0.218 2.970 0.362) 3.000 11.010 ( -1.165 1.336 -0.193) 1.783 11.293 ( -1.234 2.913 4.293) 5.333 11.486 ( 1.460 1.641 -0.010) 2.197 11.532 ( 0.146 0.738 1.113) 1.343 11.836 ( -3.433 -1.033 -3.215) 4.815 11.911 ( -3.373 0.528 -6.331) 7.193 11.980 ( 2.033 1.237 -5.145) 5.669 12.093 ( 2.657 -4.929 3.052) 6.378 12.197 ( -2.243 -1.657 0.648) 2.863 12.361 ( -6.676 2.813 2.838) 7.780 12.430 ( -5.110 2.096 2.184) 5.940 13.739 ( -6.507 -0.507 -1.242) 6.643 14.224 ( -7.635 15.363 -5.615) 18.051 14.270 ( 5.437 2.033 -9.387) 11.037 14.593 ( 3.481 12.098 -7.558) 14.683 14.973 ( 1.751 -8.143 12.115) 14.702 15.145 ( 1.081 -0.273 16.150) 16.188 15.802 ( 10.026 -28.969 -3.001) 30.802 16.040 ( -7.442 -20.932 3.137) 22.436 16.324 ( 2.131 -5.704 -1.682) 6.317 17.257 ( -5.702 9.756 -17.757) 21.047 17.605 ( 3.954 7.197 7.182) 10.909 17.985 ( 18.052 25.501 17.239) 35.684 18.865 ( -7.422 -18.063 -7.899) 21.066 20.111 ( 0.453 -19.027 -0.289) 19.034 20.241 ( -3.181 16.399 -6.090) 17.780 20.936 ( -11.325 -3.130 1.884) 11.900 21.799 ( 2.063 -0.538 0.801) 2.277 21.874 ( -0.059 -0.873 -0.421) 0.971 22.041 ( -1.315 4.607 1.507) 5.023 22.137 ( -0.559 6.263 -0.582) 6.315 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -14.722 21.328 -4.042) 26.229 1.265 ( -7.009 8.291 1.350) 10.940 1.589 ( -0.352 17.084 3.886) 17.524 1.829 ( -3.523 4.006 -4.280) 6.839 2.046 ( 4.506 7.499 -5.797) 10.495 2.231 ( 2.092 -5.462 -4.300) 7.260 2.296 ( 10.127 0.750 7.063) 12.369 2.494 ( 2.782 3.623 9.211) 10.282 2.518 ( 5.898 -2.158 8.219) 10.344 2.730 ( -30.207 4.163 0.919) 30.507 2.837 ( -16.216 3.778 2.558) 16.846 3.041 ( -4.553 -1.876 -13.145) 14.037 3.152 ( 3.659 -5.095 6.026) 8.699 3.371 ( 6.830 1.251 6.312) 9.384 3.584 ( 10.247 -2.883 3.814) 11.307 3.703 ( 12.044 -7.635 1.947) 14.392 3.901 ( -0.919 3.138 -3.391) 4.711 3.991 ( -3.192 -0.011 -9.049) 9.595 4.055 ( 0.518 -3.190 -2.936) 4.366 4.177 ( 1.528 -1.265 -0.221) 1.996 4.258 ( -3.515 -2.060 1.121) 4.226 4.465 ( 6.551 1.082 0.248) 6.645 4.545 ( 11.397 2.327 4.437) 12.449 4.873 ( 4.801 -0.614 3.120) 5.758 4.955 ( 1.372 3.770 10.535) 11.273 5.063 ( 1.061 -4.025 -5.510) 6.906 5.402 ( 2.124 -0.906 -8.490) 8.798 5.496 ( -0.559 1.368 -7.389) 7.535 5.616 ( 1.132 -6.389 -2.427) 6.927 5.946 ( -1.972 5.826 -9.563) 11.370 6.103 ( 2.077 -9.111 -9.402) 13.256 6.167 ( 1.821 -2.192 4.793) 5.576 6.324 ( 3.033 -7.933 -6.898) 10.941 6.494 ( 0.704 -2.453 -1.933) 3.201 6.529 ( 2.885 1.212 8.192) 8.769 6.674 ( 1.153 1.709 4.284) 4.754 6.802 ( -3.236 2.428 -8.703) 9.598 7.023 ( 2.618 2.961 2.658) 4.763 7.103 ( -5.148 -1.973 17.239) 18.099 7.223 ( -5.006 -6.593 8.970) 12.206 7.443 ( -0.035 6.846 9.867) 12.010 7.511 ( -1.109 -0.024 -1.049) 1.527 7.643 ( -0.628 4.821 -8.633) 9.908 7.723 ( -5.494 -5.729 -5.426) 9.615 7.818 ( -1.836 1.611 -4.034) 4.716 7.906 ( 0.786 -5.294 7.132) 8.917 7.990 ( 0.978 -6.831 0.921) 6.962 8.057 ( -1.499 -3.882 -3.897) 5.701 8.067 ( -3.383 -5.026 -0.167) 6.061 8.316 ( -1.389 -7.065 0.680) 7.232 8.411 ( -6.137 -0.648 -0.429) 6.186 8.542 ( 2.556 1.337 -3.282) 4.369 8.715 ( -7.401 10.954 -0.151) 13.221 8.860 ( 2.926 -0.939 12.171) 12.553 9.008 ( -0.144 0.336 1.255) 1.307 9.148 ( -0.416 9.262 1.694) 9.425 9.268 ( 1.883 8.694 -4.954) 10.182 9.548 ( -1.536 5.713 -6.660) 8.908 9.904 ( -3.641 0.815 4.507) 5.851 9.945 ( -2.380 -0.023 2.082) 3.162 10.072 ( 2.356 1.562 0.861) 2.955 10.219 ( 1.287 -2.376 -3.855) 4.708 10.381 ( -0.567 2.731 -1.888) 3.368 10.387 ( 0.284 1.000 0.689) 1.247 10.928 ( 0.470 3.441 1.500) 3.783 10.989 ( -0.298 0.710 -0.644) 1.004 11.332 ( 1.501 1.918 5.732) 6.228 11.482 ( -4.178 2.630 -1.652) 5.206 11.560 ( 4.678 4.585 2.249) 6.925 11.787 ( 1.325 -3.170 -1.900) 3.926 11.865 ( 1.643 -1.419 -7.561) 7.867 12.003 ( 3.700 1.371 -3.674) 5.391 12.140 ( -0.865 0.418 0.674) 1.173 12.172 ( 4.567 -3.215 -1.301) 5.734 12.348 ( -4.787 1.821 2.014) 5.503 12.368 ( 2.767 2.749 2.898) 4.859 13.743 ( 4.983 0.282 -0.405) 5.007 14.011 ( -4.988 12.364 -10.833) 17.178 14.359 ( 7.076 5.211 -5.535) 10.386 14.617 ( 2.671 9.957 -5.164) 11.530 15.084 ( 2.317 -8.782 12.038) 15.080 15.266 ( 0.422 -0.940 18.948) 18.976 15.788 ( -5.549 -25.066 -9.310) 27.309 16.018 ( 0.994 -22.944 4.984) 23.500 16.431 ( 6.590 -8.120 6.228) 12.172 16.959 ( -12.742 10.322 -19.522) 25.495 17.656 ( -3.557 3.983 9.354) 10.771 18.420 ( 13.337 22.036 20.163) 32.711 18.661 ( -9.170 -15.425 -8.846) 20.006 19.661 ( -15.172 4.165 -17.435) 23.484 20.673 ( 22.515 -0.412 7.535) 23.746 20.732 ( -8.506 -3.421 -5.651) 10.770 21.795 ( -2.808 0.523 0.711) 2.943 21.872 ( 0.055 -1.265 -0.442) 1.341 22.049 ( 1.019 4.726 1.757) 5.144 22.133 ( 0.582 6.281 -0.779) 6.356 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -10.739 23.673 0.238) 25.996 1.131 ( -11.568 18.604 10.430) 24.264 1.605 ( -3.609 9.549 4.731) 11.251 1.715 ( -10.913 1.566 2.404) 11.284 1.910 ( -16.824 10.767 -4.216) 20.415 2.141 ( -10.385 -3.154 -10.272) 14.944 2.248 ( -10.648 11.598 -2.020) 15.874 2.464 ( 4.090 -0.976 1.701) 4.536 2.605 ( -2.475 2.368 -0.844) 3.527 2.682 ( 6.570 5.598 10.257) 13.405 2.754 ( 11.847 -0.553 7.352) 13.954 2.944 ( 4.215 0.857 -5.658) 7.107 3.290 ( 3.800 -5.560 7.326) 9.952 3.482 ( 1.008 -2.428 0.391) 2.657 3.615 ( -3.533 -0.068 0.567) 3.579 3.801 ( -3.309 -2.005 -5.346) 6.600 3.822 ( -6.664 5.657 1.440) 8.859 3.892 ( -4.532 3.152 -5.643) 7.894 4.126 ( 9.190 -6.644 0.644) 11.358 4.256 ( 6.709 -3.453 4.903) 8.998 4.344 ( 10.612 -6.395 -3.702) 12.931 4.543 ( -1.213 1.974 1.687) 2.866 4.773 ( 8.917 2.321 0.960) 9.264 4.979 ( 10.966 -11.393 -6.392) 17.056 5.055 ( 3.414 -3.066 0.455) 4.611 5.214 ( 17.063 0.790 6.718) 18.355 5.430 ( 3.075 7.596 -5.549) 9.897 5.492 ( 3.201 -1.369 -0.753) 3.562 5.640 ( 4.446 -1.264 -4.544) 6.481 5.861 ( -2.003 -2.522 -2.809) 4.274 6.076 ( 1.116 -7.612 -7.638) 10.841 6.270 ( 7.062 -3.842 0.451) 8.052 6.326 ( 4.235 -2.870 -9.374) 10.679 6.489 ( -0.376 -2.163 -0.952) 2.393 6.624 ( -4.804 -2.551 -4.753) 7.223 6.664 ( 0.765 -2.828 12.382) 12.724 6.751 ( 3.330 4.093 -4.545) 6.964 7.036 ( -6.772 2.340 5.816) 9.228 7.090 ( -2.765 -2.091 10.390) 10.953 7.181 ( -3.591 -7.223 4.172) 9.082 7.363 ( -9.188 5.293 0.834) 10.636 7.437 ( -4.702 -3.361 -2.481) 6.290 7.607 ( -1.301 0.377 -6.538) 6.676 7.660 ( -0.565 -1.824 5.760) 6.068 7.810 ( 0.186 6.984 -1.971) 7.259 7.853 ( -8.517 -11.505 -2.297) 14.498 7.993 ( -1.999 -5.934 2.991) 6.939 8.018 ( 1.364 2.153 1.251) 2.839 8.076 ( 0.014 -0.274 6.879) 6.884 8.189 ( -10.939 -10.330 -0.978) 15.077 8.300 ( -5.105 1.111 0.975) 5.314 8.495 ( -7.448 1.061 -3.904) 8.476 8.585 ( -3.522 11.336 -2.348) 12.100 8.953 ( -1.484 -2.078 8.737) 9.103 8.988 ( -3.301 4.644 4.238) 7.101 9.100 ( -5.783 7.317 -0.122) 9.327 9.230 ( -1.092 10.335 -5.773) 11.888 9.484 ( -0.200 2.440 -7.555) 7.942 9.842 ( -4.861 -0.509 2.263) 5.386 9.934 ( 0.167 0.113 1.752) 1.764 10.115 ( -0.310 0.507 -0.379) 0.705 10.186 ( -0.467 -0.811 -6.222) 6.292 10.333 ( -2.085 2.556 1.934) 3.823 10.433 ( 2.285 0.043 0.465) 2.332 10.944 ( 0.964 2.950 0.459) 3.137 11.013 ( 2.114 3.045 2.156) 4.288 11.362 ( -1.719 -1.970 0.025) 2.615 11.414 ( -0.615 3.355 2.887) 4.469 11.697 ( 7.652 6.708 1.009) 10.226 11.823 ( 2.835 -3.538 -0.148) 4.536 11.867 ( 2.592 -1.472 -5.773) 6.497 12.076 ( 7.281 5.475 -9.157) 12.917 12.203 ( 4.893 0.730 5.049) 7.069 12.257 ( 3.230 -1.838 0.146) 3.719 12.280 ( 0.273 1.251 1.924) 2.311 12.455 ( 4.225 5.378 2.255) 7.202 13.715 ( -4.328 7.172 -4.555) 9.535 14.099 ( 14.864 4.539 -0.591) 15.553 14.463 ( 8.446 2.018 -7.508) 11.479 14.618 ( 0.603 6.961 -3.152) 7.665 15.180 ( 0.565 -11.701 4.171) 12.435 15.358 ( -2.205 -5.803 16.930) 18.032 15.648 ( -3.291 -8.687 -4.869) 10.488 16.026 ( -4.289 -30.309 4.439) 30.931 16.446 ( -10.877 -2.403 -7.904) 13.658 16.741 ( 0.815 -2.225 2.970) 3.799 17.582 ( -10.108 3.831 7.981) 13.436 18.330 ( -11.315 -15.090 -26.757) 32.736 18.643 ( -9.336 9.688 24.861) 28.268 19.604 ( 16.147 18.583 5.599) 25.247 20.479 ( -10.409 -5.264 -16.280) 20.027 21.143 ( 22.580 3.404 3.776) 23.145 21.742 ( -2.194 3.365 0.372) 4.034 21.871 ( 0.649 1.436 -0.132) 1.581 22.083 ( 1.325 3.464 1.090) 3.866 22.148 ( 1.688 6.871 -0.863) 7.128 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -4.927 23.524 14.155) 27.893 0.867 ( -26.814 11.023 6.004) 29.606 1.370 ( -15.952 25.330 22.783) 37.618 1.531 ( -7.875 11.612 0.598) 14.043 1.741 ( -5.885 3.958 -3.543) 7.928 1.829 ( -13.969 3.670 -9.292) 17.173 2.126 ( -3.247 9.865 -9.941) 14.377 2.480 ( 1.978 0.087 -6.124) 6.437 2.711 ( 8.107 -1.312 -0.039) 8.213 2.823 ( 3.507 3.562 7.510) 9.022 3.005 ( 10.776 3.845 4.793) 12.405 3.102 ( 11.194 0.449 4.320) 12.008 3.347 ( -1.302 -5.659 1.857) 6.097 3.455 ( -0.527 -3.590 -3.584) 5.101 3.517 ( -6.999 8.442 0.456) 10.975 3.677 ( -7.508 1.199 0.260) 7.607 3.706 ( -5.352 -0.589 0.481) 5.406 3.767 ( -4.584 8.882 -3.155) 10.481 4.284 ( 6.148 -10.415 -0.643) 12.111 4.363 ( 0.369 -4.063 -3.865) 5.620 4.420 ( -1.588 -4.452 -2.415) 5.308 4.557 ( 3.401 -4.619 4.139) 7.074 4.827 ( 2.715 -0.030 -6.705) 7.234 5.187 ( 11.582 -11.006 1.291) 16.029 5.261 ( 15.995 1.542 1.352) 16.126 5.351 ( -4.338 -0.592 -6.324) 7.692 5.506 ( 6.051 -0.367 3.818) 7.164 5.633 ( 8.224 0.272 5.725) 10.024 5.751 ( 10.202 0.955 -10.481) 14.657 5.871 ( 4.462 -2.866 -0.512) 5.328 6.059 ( 1.980 -8.662 -3.505) 9.551 6.356 ( 7.476 0.087 -9.375) 11.991 6.429 ( -4.484 -8.796 -1.654) 10.010 6.479 ( 0.584 -2.295 -0.094) 2.370 6.521 ( 13.340 -1.844 -2.702) 13.735 6.711 ( -1.592 -5.626 5.166) 7.802 6.842 ( 1.542 3.283 1.764) 4.033 6.933 ( -3.014 -1.515 3.738) 5.035 7.072 ( -7.581 -1.470 3.554) 8.501 7.106 ( -7.233 -6.527 2.008) 9.948 7.195 ( -7.768 -2.699 -1.175) 8.307 7.359 ( -3.875 -0.350 0.107) 3.892 7.457 ( -9.180 -5.734 -4.352) 11.666 7.662 ( -5.534 5.224 3.114) 8.223 7.676 ( -3.853 -3.154 2.232) 5.457 7.818 ( -2.383 -3.587 -6.600) 7.881 7.931 ( -7.104 -7.206 2.733) 10.481 7.972 ( -3.687 -1.278 -5.821) 7.008 8.034 ( -5.246 4.930 4.234) 8.352 8.117 ( -2.754 0.090 4.295) 5.103 8.254 ( 1.077 8.444 4.706) 9.726 8.359 ( -5.343 -0.873 2.000) 5.771 8.520 ( -0.328 12.159 -5.228) 13.239 8.795 ( -14.228 4.102 -8.249) 16.950 8.920 ( -9.745 4.610 1.777) 10.926 9.001 ( -2.001 1.985 5.878) 6.519 9.219 ( 1.841 10.336 -2.266) 10.741 9.463 ( 1.971 -1.023 -5.840) 6.248 9.784 ( -2.097 -0.222 0.641) 2.204 9.938 ( -0.074 0.464 -1.682) 1.746 10.041 ( -1.801 1.363 -1.234) 2.574 10.197 ( 1.175 3.673 -0.650) 3.911 10.324 ( -1.622 2.201 4.604) 5.355 10.481 ( 2.310 -0.680 3.134) 3.952 10.966 ( 0.717 3.731 0.465) 3.828 11.062 ( 1.510 3.371 1.102) 3.854 11.335 ( -0.934 -2.934 1.685) 3.510 11.450 ( 1.523 0.270 2.048) 2.566 11.780 ( 3.546 0.021 -6.000) 6.969 11.874 ( 1.259 -0.913 -4.547) 4.806 11.947 ( 7.541 0.106 7.543) 10.666 12.101 ( 1.407 8.547 -7.855) 11.693 12.218 ( -0.072 -1.919 -7.361) 7.607 12.314 ( 4.235 -3.054 3.155) 6.100 12.491 ( 4.647 6.038 3.198) 8.263 12.591 ( 18.776 12.967 4.487) 23.255 13.670 ( 0.169 7.473 5.489) 9.273 14.358 ( 11.917 0.099 -1.045) 11.963 14.527 ( -0.331 -0.735 -0.516) 0.957 14.686 ( 11.768 3.766 -6.783) 14.095 15.028 ( -14.840 -19.698 -16.342) 29.585 15.410 ( -3.083 -2.949 12.647) 13.347 15.510 ( -14.489 -5.504 -5.552) 16.464 15.919 ( -14.108 -28.076 24.998) 40.153 16.233 ( 0.751 0.982 -8.542) 8.631 16.797 ( -3.300 -10.209 9.758) 14.503 17.421 ( -8.376 10.866 1.590) 13.811 17.929 ( -13.253 0.074 -24.344) 27.718 18.593 ( -6.092 -8.747 20.037) 22.696 20.114 ( -2.734 8.649 -1.121) 9.140 20.212 ( 18.398 -3.141 9.766) 21.065 21.465 ( 8.731 1.348 -1.185) 8.914 21.754 ( 2.079 2.857 0.303) 3.546 21.962 ( 11.976 5.589 -3.065) 13.566 22.101 ( 0.361 2.241 0.095) 2.272 22.213 ( 10.270 15.687 -5.648) 19.582 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 1.375 8.800 9.955) 13.358 1.285 ( 0.513 17.012 15.860) 23.264 1.521 ( -1.903 -4.318 -7.325) 8.713 1.619 ( 1.823 8.023 0.588) 8.249 1.920 ( -0.402 14.701 -4.563) 15.398 2.207 ( 2.947 26.199 5.755) 26.985 2.327 ( -3.174 22.206 -7.444) 23.634 2.552 ( 0.589 5.912 -2.164) 6.323 2.616 ( -4.950 -0.240 -3.624) 6.140 3.001 ( -3.479 0.049 4.118) 5.392 3.093 ( 1.039 -3.122 -1.034) 3.448 3.219 ( 2.400 -2.890 0.340) 3.772 3.405 ( -2.908 1.444 5.312) 6.226 3.502 ( 8.487 4.000 3.796) 10.121 3.557 ( -9.499 5.725 3.521) 11.636 3.691 ( 1.484 7.564 1.548) 7.862 3.754 ( 2.939 12.375 3.600) 13.219 3.930 ( 3.644 7.955 -2.612) 9.132 4.027 ( -2.805 -10.679 -2.019) 11.224 4.276 ( -3.046 2.316 0.007) 3.827 4.340 ( 1.769 -4.837 -3.862) 6.437 4.455 ( -2.910 -1.086 -1.755) 3.567 4.893 ( 7.839 -1.174 -4.940) 9.340 5.073 ( -5.591 -8.379 0.232) 10.076 5.185 ( 2.922 -9.429 -2.747) 10.247 5.379 ( -2.556 -14.356 1.820) 14.695 5.540 ( 0.232 -2.581 -3.311) 4.205 5.680 ( -3.280 -2.256 -6.887) 7.955 5.723 ( 8.045 0.891 -4.351) 9.190 5.914 ( 0.903 0.552 0.796) 1.325 6.000 ( -0.341 -7.850 -6.953) 10.492 6.165 ( 0.030 -8.695 -4.277) 9.690 6.317 ( -6.646 -9.914 0.170) 11.937 6.349 ( -5.094 -3.867 5.844) 8.663 6.481 ( 9.214 -11.279 -4.006) 15.105 6.623 ( -7.063 -8.510 12.210) 16.473 6.701 ( -3.679 -10.643 2.311) 11.495 6.768 ( 7.021 -4.620 -1.944) 8.627 6.857 ( -3.065 -3.210 -0.217) 4.443 7.077 ( -0.163 10.224 -3.910) 10.947 7.185 ( 4.160 4.169 -3.036) 6.626 7.270 ( 10.187 -5.587 4.397) 12.422 7.375 ( -6.135 1.847 2.728) 6.964 7.551 ( 2.331 -2.650 -7.324) 8.130 7.606 ( -0.421 -0.411 0.749) 0.952 7.752 ( -0.988 4.186 4.099) 5.942 7.828 ( -5.069 -0.207 4.938) 7.080 7.938 ( 0.512 0.561 2.144) 2.275 8.077 ( -0.594 -0.364 6.471) 6.509 8.179 ( -2.097 6.955 -2.749) 7.767 8.393 ( -2.320 7.241 -2.949) 8.155 8.533 ( 3.701 8.494 -1.360) 9.365 8.683 ( -4.145 1.063 2.425) 4.918 8.919 ( 10.086 13.615 -1.220) 16.988 8.949 ( -4.399 11.374 1.145) 12.248 9.066 ( -4.142 9.180 -6.403) 11.935 9.438 ( 3.259 -1.919 -2.598) 4.588 9.491 ( -0.622 12.154 1.592) 12.274 9.783 ( 0.351 1.344 0.056) 1.390 9.922 ( 0.436 -1.076 -3.562) 3.746 10.077 ( 0.793 2.321 0.782) 2.574 10.276 ( 0.960 3.405 -2.670) 4.432 10.399 ( -1.234 2.546 5.388) 6.086 10.539 ( 0.904 0.180 5.750) 5.824 11.058 ( 0.752 3.443 1.123) 3.698 11.130 ( -2.148 3.544 2.216) 4.699 11.302 ( 0.014 -0.913 5.411) 5.487 11.447 ( -0.963 0.372 -2.316) 2.535 11.741 ( 0.629 -3.799 -3.895) 5.478 11.845 ( 2.155 -2.493 -4.069) 5.236 11.990 ( 0.636 -2.481 3.263) 4.149 12.057 ( -4.159 -5.074 0.252) 6.566 12.234 ( -0.649 3.147 -4.717) 5.707 12.345 ( 2.108 -1.128 4.346) 4.960 12.577 ( -3.830 3.275 -2.399) 5.581 12.995 ( 3.759 -2.342 -9.811) 10.764 13.901 ( 5.203 1.629 8.919) 10.454 14.183 ( -3.911 -10.346 -0.151) 11.061 14.455 ( 4.501 2.124 -0.844) 5.048 14.758 ( -7.681 1.400 1.957) 8.049 14.873 ( 0.816 0.231 -2.395) 2.541 15.104 ( 2.849 -2.241 -5.768) 6.813 15.416 ( -2.835 4.405 10.257) 11.517 15.713 ( -7.086 0.706 10.446) 12.642 16.415 ( 13.982 2.214 1.875) 14.280 16.479 ( -7.055 -9.431 3.204) 12.206 17.602 ( -1.429 6.778 -0.454) 6.942 17.966 ( 5.810 11.878 -11.337) 17.417 18.482 ( 1.057 -4.483 16.398) 17.033 19.667 ( -9.329 -14.262 -21.960) 27.797 20.662 ( 7.260 3.720 21.932) 23.399 21.497 ( -0.899 -0.500 -4.357) 4.477 21.774 ( -0.531 -0.641 1.435) 1.659 21.995 ( 0.156 -4.318 -1.940) 4.736 22.172 ( 0.427 3.528 0.384) 3.575 22.445 ( 0.360 -3.484 -12.144) 12.639 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 24.078 6.386 9.644) 26.712 1.373 ( 2.519 5.372 3.751) 7.020 1.599 ( 12.724 10.033 0.180) 16.205 1.770 ( 10.008 9.754 4.400) 14.651 1.978 ( 9.690 8.220 -6.122) 14.105 2.200 ( -1.189 13.220 -12.074) 17.944 2.317 ( 0.352 23.520 11.791) 26.312 2.425 ( -9.057 7.002 -1.706) 11.574 2.572 ( 0.651 5.101 -2.425) 5.686 2.803 ( -14.212 3.671 0.155) 14.679 3.104 ( -5.910 -3.833 0.702) 7.079 3.172 ( -6.734 -1.155 -0.917) 6.894 3.323 ( -4.228 -1.605 3.471) 5.701 3.445 ( -5.939 5.394 4.558) 9.228 3.591 ( -0.071 4.104 2.301) 4.705 3.814 ( 11.938 8.161 3.322) 14.838 3.865 ( -5.992 -6.204 0.539) 8.642 3.929 ( 3.872 -1.951 -0.610) 4.379 4.019 ( 1.573 6.728 -1.878) 7.160 4.180 ( -6.429 -3.282 -3.320) 7.945 4.326 ( 0.806 0.704 0.747) 1.305 4.422 ( 0.860 4.037 -6.682) 7.853 4.914 ( -9.384 -6.677 -0.383) 11.523 4.981 ( 1.888 1.184 -0.880) 2.396 5.128 ( -13.265 -17.163 3.276) 21.938 5.274 ( 0.567 -7.696 -4.194) 8.783 5.443 ( -9.441 -0.997 0.596) 9.513 5.629 ( 4.096 -3.677 -8.541) 10.161 5.727 ( -7.004 -0.092 -3.329) 7.756 5.895 ( -0.625 -2.046 1.658) 2.707 5.994 ( -4.419 -5.256 -0.561) 6.890 6.054 ( 3.128 -10.902 -9.858) 15.027 6.282 ( -4.092 5.037 3.003) 7.151 6.401 ( 5.898 -13.381 -0.894) 14.651 6.458 ( -5.989 -5.723 -1.691) 8.454 6.652 ( 7.696 -4.469 4.187) 9.836 6.673 ( -0.174 -3.194 5.331) 6.217 6.851 ( 5.969 -11.268 0.761) 12.774 6.960 ( 2.557 -1.230 -3.732) 4.688 7.140 ( 8.837 2.753 1.005) 9.310 7.259 ( 4.645 2.886 -0.173) 5.471 7.319 ( -0.232 0.484 2.181) 2.246 7.514 ( 7.629 -8.405 0.207) 11.353 7.591 ( 9.098 -1.605 -3.566) 9.903 7.659 ( 4.507 4.690 6.739) 9.366 7.730 ( -2.795 4.999 -2.173) 6.125 7.771 ( -3.105 -1.531 6.383) 7.262 7.968 ( 2.047 -0.353 -0.585) 2.157 8.097 ( -1.876 0.223 -2.180) 2.885 8.154 ( -0.174 2.537 2.938) 3.885 8.347 ( 0.801 7.724 1.491) 7.907 8.586 ( 3.094 1.062 -5.810) 6.668 8.713 ( 3.621 7.462 8.602) 11.949 8.854 ( -3.158 12.657 -6.767) 14.696 9.026 ( 1.681 8.150 0.195) 8.324 9.116 ( 10.844 10.610 -2.400) 15.359 9.431 ( -2.681 5.023 -1.614) 5.918 9.511 ( 3.209 5.125 -2.997) 6.749 9.805 ( 2.107 1.567 0.187) 2.633 9.927 ( 1.774 -1.931 -1.880) 3.227 10.107 ( 1.453 2.197 0.730) 2.733 10.280 ( 1.370 2.754 -2.724) 4.109 10.402 ( -2.281 3.349 5.804) 7.079 10.558 ( -1.752 -0.186 2.978) 3.461 11.063 ( -2.182 5.910 1.246) 6.422 11.095 ( -2.158 1.839 2.974) 4.109 11.319 ( -1.586 0.594 4.685) 4.982 11.445 ( 1.187 -0.958 1.405) 2.073 11.697 ( -2.736 -2.367 -5.655) 6.713 11.855 ( 2.335 -1.366 -6.613) 7.145 11.959 ( -2.858 -4.442 -1.123) 5.400 11.985 ( -3.214 -4.181 -2.369) 5.782 12.197 ( -2.996 2.574 4.695) 6.136 12.338 ( -5.722 2.393 0.299) 6.210 12.501 ( -2.339 0.180 2.740) 3.607 12.852 ( -11.028 -0.923 -5.096) 12.184 14.054 ( 4.155 0.061 7.333) 8.429 14.231 ( 7.108 -10.255 -2.220) 12.673 14.450 ( -12.011 2.473 0.859) 12.293 14.631 ( 3.499 2.740 -2.159) 4.941 14.843 ( -1.259 -4.630 3.123) 5.725 15.167 ( 6.747 12.199 -18.159) 22.893 15.406 ( -5.047 5.607 10.717) 13.106 15.705 ( -2.434 -9.190 13.091) 16.178 16.339 ( -7.194 -6.542 -1.175) 9.794 16.739 ( 17.486 -4.184 7.323) 19.414 17.601 ( 1.894 5.930 -1.462) 6.395 18.068 ( 11.402 14.379 -10.624) 21.205 18.705 ( 8.711 -7.134 19.598) 22.602 19.369 ( -7.406 -14.547 -19.551) 25.470 20.852 ( 0.119 -0.625 17.463) 17.475 21.368 ( -10.528 -0.245 -8.393) 13.466 21.774 ( -0.333 -0.022 1.261) 1.304 21.932 ( -4.510 -3.201 -2.201) 5.952 22.177 ( -0.471 4.135 0.148) 4.165 22.316 ( -4.479 0.916 -6.404) 7.868 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 5.238 5.184 2.356) 7.737 1.610 ( 19.975 4.351 7.164) 21.663 1.827 ( 7.538 20.590 0.592) 21.935 1.934 ( 7.288 10.843 -3.563) 13.542 2.053 ( 0.001 14.702 -11.953) 18.948 2.168 ( -1.799 0.822 0.618) 2.072 2.331 ( 8.756 0.093 2.172) 9.022 2.387 ( -5.132 7.242 4.814) 10.097 2.542 ( -7.494 6.045 0.208) 9.630 2.702 ( 11.437 13.091 6.947) 18.720 2.900 ( -11.716 -3.292 0.493) 12.180 3.049 ( -5.622 -1.279 0.630) 5.800 3.282 ( -3.560 -0.710 -0.831) 3.724 3.372 ( -4.092 -3.336 5.303) 7.482 3.605 ( -3.266 4.070 0.711) 5.267 3.676 ( -11.923 -6.693 -0.297) 13.676 3.898 ( -7.543 -6.022 -5.743) 11.232 3.948 ( 1.394 -5.428 -2.601) 6.179 4.049 ( 5.061 4.962 4.067) 8.171 4.142 ( 3.754 3.932 -0.853) 5.503 4.285 ( -1.187 -1.856 -3.700) 4.306 4.452 ( 0.140 6.475 -3.150) 7.202 4.716 ( -12.384 -5.118 0.867) 13.428 4.915 ( -5.014 0.721 -1.229) 5.213 4.967 ( -6.663 -9.319 5.787) 12.835 5.208 ( -5.927 -3.395 -1.202) 6.935 5.354 ( 0.162 -0.309 -2.787) 2.809 5.605 ( -1.983 -4.218 -4.123) 6.222 5.652 ( -0.357 1.969 -1.100) 2.283 5.884 ( 0.386 -4.996 -4.762) 6.913 5.924 ( -0.595 -3.708 3.358) 5.038 6.055 ( 1.333 -9.577 -4.561) 10.691 6.248 ( 0.560 3.375 -3.694) 5.035 6.410 ( -1.000 4.536 3.067) 5.567 6.499 ( 5.019 -10.355 -5.240) 12.644 6.712 ( 0.722 -1.508 5.147) 5.411 6.812 ( 4.760 -0.803 7.788) 9.162 6.958 ( 1.289 4.943 -2.352) 5.624 6.979 ( 8.802 -8.000 -3.513) 12.402 7.221 ( -2.079 -2.761 2.945) 4.541 7.326 ( 1.203 2.447 1.326) 3.032 7.395 ( 5.466 -5.400 1.669) 7.863 7.561 ( 3.864 -9.623 -4.129) 11.161 7.668 ( -0.212 0.972 -2.683) 2.862 7.728 ( -1.877 -6.665 5.055) 8.573 7.817 ( 7.260 -0.054 3.065) 7.881 7.857 ( 8.449 1.082 10.970) 13.889 7.995 ( 2.015 -5.511 -5.710) 8.188 8.018 ( -1.608 2.624 -10.382) 10.828 8.156 ( -1.601 3.950 6.422) 7.708 8.425 ( 4.207 3.469 1.439) 5.639 8.594 ( 0.265 0.998 -2.135) 2.372 8.756 ( -1.315 6.982 -2.403) 7.500 8.873 ( 4.408 7.949 6.233) 11.021 9.104 ( 6.267 9.524 2.243) 11.619 9.269 ( 7.001 11.462 -5.408) 14.479 9.343 ( -2.734 7.535 -6.218) 10.144 9.577 ( 5.748 1.292 -1.867) 6.180 9.868 ( 4.014 1.640 1.834) 4.708 9.952 ( 0.860 0.135 0.984) 1.314 10.119 ( -0.181 2.306 -1.109) 2.565 10.281 ( -0.165 1.176 -2.590) 2.850 10.385 ( -2.342 2.952 3.215) 4.953 10.533 ( -1.277 2.964 0.929) 3.359 11.002 ( -3.358 3.597 -0.240) 4.927 11.081 ( -2.355 2.389 2.741) 4.332 11.319 ( -1.365 0.929 5.692) 5.927 11.488 ( 1.557 -0.067 3.034) 3.411 11.599 ( -2.670 1.413 -6.039) 6.752 11.845 ( 0.040 -1.505 -5.542) 5.743 11.919 ( -1.426 -7.849 1.199) 8.067 11.937 ( 0.340 -2.894 -2.319) 3.724 12.151 ( -6.259 2.748 0.882) 6.893 12.211 ( -4.745 2.333 0.906) 5.364 12.492 ( -2.729 -0.852 4.334) 5.192 12.614 ( -11.672 2.338 -1.054) 11.951 13.976 ( -13.869 -0.464 -1.532) 13.961 14.268 ( 1.727 -0.070 -1.927) 2.588 14.425 ( 8.654 -6.450 -4.019) 11.518 14.710 ( 2.156 4.886 1.699) 5.604 14.892 ( 1.405 -4.522 11.846) 12.757 15.125 ( 2.084 16.136 -17.960) 24.234 15.384 ( -2.520 3.329 8.371) 9.355 15.723 ( -3.754 -13.428 9.569) 16.910 16.215 ( -4.893 -7.108 -2.461) 8.973 17.101 ( 15.662 -10.192 4.200) 19.153 17.650 ( 3.911 4.766 -0.263) 6.171 18.227 ( 12.005 17.310 -8.591) 22.750 18.803 ( -6.928 -3.849 -0.446) 7.938 19.366 ( 13.952 -21.330 4.717) 25.920 20.824 ( -11.883 3.460 -0.151) 12.377 21.056 ( -14.807 -0.421 -0.910) 14.841 21.781 ( 0.725 0.829 0.374) 1.163 21.863 ( -1.866 -1.928 -0.436) 2.719 22.157 ( -1.110 4.666 -0.140) 4.798 22.259 ( -0.545 3.344 -0.926) 3.512 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.706 11.377 0.612) 11.521 1.766 ( -6.661 11.461 -8.427) 15.708 1.951 ( 10.296 6.728 1.497) 12.390 1.998 ( 2.425 7.279 -4.855) 9.079 2.012 ( 1.008 16.308 0.437) 16.345 2.162 ( 1.299 5.215 1.575) 5.601 2.298 ( -3.168 4.973 -1.689) 6.134 2.388 ( -0.377 2.154 6.289) 6.658 2.568 ( -1.883 3.202 10.897) 11.513 2.846 ( 7.171 -1.257 -2.415) 7.670 2.952 ( 3.612 0.379 5.848) 6.884 3.115 ( 9.031 -0.951 5.102) 10.416 3.186 ( 0.324 1.755 -1.809) 2.541 3.343 ( -5.532 -6.806 -0.689) 8.797 3.367 ( -14.476 -0.284 -3.486) 14.892 3.466 ( -9.043 -4.546 5.307) 11.428 3.855 ( 4.094 -2.579 -3.832) 6.172 3.967 ( 1.679 -4.872 -3.340) 6.141 4.068 ( -1.172 -3.571 -3.666) 5.250 4.186 ( 1.654 5.584 -1.197) 5.946 4.303 ( -6.320 -3.440 -0.545) 7.216 4.341 ( -0.098 -2.564 3.223) 4.119 4.551 ( -3.767 3.090 -0.511) 4.898 4.838 ( -5.200 -5.154 0.295) 7.327 4.946 ( 3.587 -5.086 -1.987) 6.533 5.127 ( -3.801 8.919 4.621) 10.740 5.364 ( 3.087 1.947 -4.482) 5.780 5.521 ( -3.234 -5.807 -5.096) 8.376 5.636 ( -2.788 5.555 4.163) 7.481 5.895 ( 1.206 -9.834 -4.023) 10.693 5.967 ( 2.583 -4.752 1.818) 5.706 6.075 ( 4.852 -6.083 -5.932) 9.784 6.240 ( 1.399 5.788 -5.807) 8.317 6.425 ( -1.258 3.069 10.212) 10.737 6.521 ( 1.902 -4.818 -7.870) 9.421 6.747 ( 0.554 3.087 2.947) 4.304 6.904 ( 1.953 -2.344 4.748) 5.644 6.976 ( -0.447 4.065 -0.067) 4.090 7.096 ( 5.416 2.368 -2.562) 6.442 7.173 ( -6.343 -4.611 7.726) 11.009 7.355 ( 2.518 -3.254 2.003) 4.576 7.450 ( 0.667 -7.460 -1.448) 7.628 7.615 ( 0.661 -7.373 -1.270) 7.510 7.649 ( 1.658 -11.018 -1.793) 11.286 7.775 ( 2.474 -6.380 7.142) 9.891 7.880 ( -2.286 0.518 -2.083) 3.136 7.889 ( -4.589 -2.815 -4.111) 6.774 7.941 ( 1.739 -0.569 -8.294) 8.494 8.121 ( 6.430 -0.257 7.556) 9.925 8.189 ( 1.582 5.441 4.430) 7.193 8.476 ( 3.377 -0.647 -4.875) 5.966 8.543 ( -4.690 1.013 -1.056) 4.913 8.764 ( 0.632 3.268 4.330) 5.461 8.962 ( 2.346 6.691 5.312) 8.859 9.171 ( -3.659 10.178 -4.610) 11.757 9.282 ( 5.334 10.467 2.156) 11.944 9.388 ( 6.456 8.502 -7.005) 12.768 9.668 ( 4.064 2.728 -1.699) 5.181 9.943 ( 1.091 1.044 2.797) 3.179 9.961 ( -1.224 1.499 3.070) 3.629 10.099 ( -0.257 2.649 -1.557) 3.084 10.245 ( -0.987 0.072 -3.161) 3.313 10.363 ( -1.074 2.550 1.784) 3.292 10.524 ( -0.619 5.432 -1.359) 5.633 10.968 ( 0.317 2.300 -0.306) 2.342 11.037 ( -3.316 1.193 1.091) 3.689 11.336 ( -1.034 1.098 7.005) 7.165 11.528 ( 2.260 1.228 0.310) 2.590 11.573 ( 1.314 3.488 1.319) 3.954 11.799 ( -1.704 -2.607 -4.735) 5.667 11.878 ( -3.428 -4.645 -1.390) 5.938 11.968 ( -1.454 -4.609 5.684) 7.461 12.034 ( 1.473 1.336 -8.929) 9.147 12.172 ( -0.512 0.414 -2.263) 2.356 12.416 ( -5.484 1.532 3.793) 6.842 12.480 ( -4.509 3.168 1.691) 5.765 13.767 ( -5.692 2.875 0.398) 6.389 14.271 ( 1.300 -1.310 -10.143) 10.310 14.521 ( 3.572 0.092 -5.320) 6.409 14.726 ( -0.635 3.535 3.667) 5.133 14.987 ( -0.395 0.992 14.088) 14.129 15.082 ( 1.769 4.970 -7.557) 9.216 15.430 ( 2.989 -0.232 3.880) 4.904 15.694 ( -4.219 -10.795 8.087) 14.133 16.151 ( -0.713 -9.214 0.132) 9.242 17.226 ( -1.476 -10.871 -11.343) 15.781 17.734 ( 3.303 1.416 3.143) 4.775 18.403 ( 10.095 9.350 -8.321) 16.080 18.692 ( -0.690 5.844 7.186) 9.288 19.645 ( 4.657 -23.920 4.994) 24.876 20.548 ( -4.716 12.479 -6.758) 14.955 20.866 ( -10.314 -2.623 2.080) 10.844 21.804 ( 1.203 0.397 0.145) 1.275 21.840 ( -0.813 -1.867 -0.151) 2.042 22.148 ( -0.138 5.163 1.131) 5.287 22.251 ( -0.090 4.277 -0.653) 4.328 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -10.797 9.999 -3.259) 15.072 1.691 ( -2.620 21.855 -0.405) 22.015 1.906 ( -4.567 6.883 -3.030) 8.799 1.996 ( -6.169 15.118 2.670) 16.545 2.060 ( 4.895 -2.990 -9.036) 10.703 2.269 ( 1.362 6.813 2.937) 7.543 2.333 ( 10.154 2.739 3.962) 11.239 2.463 ( 4.159 -0.347 4.506) 6.142 2.624 ( 3.183 8.059 9.081) 12.552 2.841 ( -15.601 4.634 -1.003) 16.306 2.946 ( -10.868 5.994 0.586) 12.425 2.987 ( -2.898 -1.466 2.820) 4.301 3.091 ( -0.290 -0.752 -4.044) 4.124 3.344 ( 2.514 -3.502 5.901) 7.308 3.446 ( 5.491 -12.749 -0.462) 13.889 3.553 ( 15.135 -2.639 2.817) 15.620 3.907 ( 3.380 -6.976 -4.217) 8.824 3.983 ( 2.374 2.618 2.265) 4.198 4.017 ( 0.293 -1.956 -4.858) 5.245 4.172 ( -6.914 1.444 0.605) 7.089 4.212 ( 2.956 -1.875 -3.360) 4.852 4.441 ( 8.284 -2.942 -0.072) 8.791 4.572 ( 4.662 -0.175 2.761) 5.422 4.742 ( -2.258 -11.049 -6.816) 13.177 5.052 ( 5.555 4.049 5.762) 8.969 5.088 ( -0.940 7.148 -1.225) 7.313 5.413 ( 3.050 0.834 0.794) 3.260 5.463 ( -0.737 -5.685 -1.136) 5.844 5.616 ( 0.121 8.491 0.253) 8.496 5.821 ( -5.787 -8.724 -4.823) 11.526 6.022 ( 2.953 -6.596 -0.832) 7.275 6.146 ( 6.633 -2.671 -9.795) 12.127 6.230 ( 0.638 5.227 -3.159) 6.140 6.476 ( -1.395 -0.754 5.257) 5.490 6.506 ( 0.967 -3.601 4.091) 5.535 6.762 ( -1.470 4.740 1.040) 5.071 6.901 ( -3.299 4.088 -2.081) 5.650 6.986 ( 2.558 -2.014 4.295) 5.390 7.068 ( -10.549 -6.931 9.445) 15.765 7.165 ( 3.242 4.441 -1.233) 5.635 7.368 ( -4.749 -11.542 -7.221) 14.419 7.455 ( 2.041 -7.858 6.934) 10.677 7.544 ( -5.481 -9.537 -7.408) 13.262 7.660 ( 0.319 -0.843 -1.517) 1.765 7.773 ( -3.084 -7.580 -5.064) 9.624 7.844 ( -0.565 -7.952 5.120) 9.475 7.899 ( -2.830 0.790 -2.998) 4.198 7.915 ( 4.388 0.914 8.577) 9.678 8.175 ( -1.130 8.484 -1.045) 8.623 8.211 ( -2.989 -2.654 1.901) 4.426 8.417 ( -5.387 0.712 -0.656) 5.474 8.571 ( 7.054 1.448 -4.507) 8.495 8.771 ( -2.908 0.159 4.814) 5.626 9.036 ( 1.658 1.835 -2.064) 3.221 9.076 ( -3.556 15.443 6.667) 17.192 9.351 ( 0.527 10.255 -2.447) 10.556 9.435 ( 2.060 7.704 -3.923) 8.887 9.682 ( -1.211 6.081 -2.546) 6.703 9.910 ( -4.510 -0.115 3.520) 5.723 9.942 ( -3.260 0.603 1.525) 3.649 10.117 ( 2.269 2.803 0.422) 3.631 10.230 ( 1.216 1.464 -4.360) 4.757 10.383 ( 1.729 1.369 2.393) 3.254 10.472 ( -3.362 4.801 -2.756) 6.476 10.989 ( -1.347 1.526 0.115) 2.038 11.008 ( 2.687 1.878 1.136) 3.469 11.354 ( -1.612 0.157 5.567) 5.798 11.581 ( -3.339 5.042 5.085) 7.902 11.619 ( 5.110 2.827 0.528) 5.863 11.722 ( -0.765 -3.687 -3.139) 4.902 11.821 ( 0.593 -2.466 -5.403) 5.969 11.981 ( 2.970 -4.854 2.711) 6.303 12.082 ( 3.292 -5.213 -1.346) 6.311 12.194 ( 7.768 5.358 -9.021) 13.055 12.388 ( -4.312 1.556 3.678) 5.877 12.439 ( 2.392 3.766 2.947) 5.347 13.790 ( 5.607 3.722 1.948) 7.006 14.187 ( -1.220 2.343 -13.337) 13.596 14.515 ( -0.545 4.185 -3.304) 5.360 14.739 ( -0.306 -0.491 0.585) 0.823 15.053 ( 1.415 9.072 0.500) 9.195 15.076 ( -2.376 -13.007 12.794) 18.399 15.491 ( 0.599 -7.241 1.182) 7.361 15.700 ( 0.853 0.793 7.405) 7.496 16.194 ( 2.328 -12.933 6.156) 14.512 16.975 ( -12.931 -8.216 -19.260) 24.610 17.770 ( -1.880 0.752 4.588) 5.014 18.374 ( -2.980 -0.932 -14.007) 14.350 18.915 ( 5.730 16.352 19.761) 26.281 19.516 ( -8.228 -16.055 -4.065) 18.493 20.664 ( -9.312 -1.407 -6.614) 11.509 20.748 ( 21.457 5.744 3.159) 22.436 21.801 ( -1.560 -0.004 0.135) 1.566 21.839 ( 0.799 -1.676 -0.209) 1.868 22.163 ( 0.632 5.458 1.637) 5.733 22.249 ( 0.547 4.336 -0.909) 4.464 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -6.733 13.157 2.637) 15.013 1.505 ( -19.003 10.009 0.988) 21.501 1.800 ( -7.374 10.718 1.193) 13.064 1.882 ( -7.408 8.324 2.571) 11.436 2.071 ( 2.441 1.570 -9.304) 9.746 2.201 ( -6.631 16.138 -1.320) 17.497 2.498 ( 0.178 5.596 2.189) 6.011 2.573 ( -4.491 13.280 -2.739) 14.283 2.652 ( -4.051 2.837 4.946) 6.994 2.698 ( 9.644 1.986 5.477) 11.267 2.836 ( 7.431 6.225 3.070) 10.168 3.001 ( 4.387 3.228 -2.763) 6.108 3.172 ( 4.425 -4.099 6.329) 8.742 3.371 ( -0.190 -7.016 -1.291) 7.136 3.581 ( 6.239 -5.626 3.809) 9.224 3.714 ( 3.304 -2.255 -2.933) 4.961 3.925 ( -1.484 -1.180 -0.100) 1.898 3.990 ( -5.853 5.015 -4.034) 8.699 4.070 ( 4.514 2.965 1.197) 5.531 4.156 ( 7.488 -4.294 6.579) 10.853 4.219 ( 1.231 -5.295 -6.015) 8.107 4.556 ( 1.534 -1.408 -3.863) 4.388 4.689 ( 8.635 -12.281 -5.241) 15.902 4.803 ( 11.838 -0.923 1.920) 12.028 5.031 ( 0.005 0.854 -0.781) 1.158 5.273 ( 9.730 3.243 5.040) 11.427 5.437 ( 1.302 -9.713 2.476) 10.108 5.507 ( 4.399 2.977 0.657) 5.352 5.627 ( -1.261 0.870 -3.479) 3.801 5.714 ( 1.784 -1.573 -4.473) 5.066 6.070 ( 3.214 -10.568 -1.522) 11.150 6.155 ( 2.637 7.670 -12.228) 14.673 6.269 ( 4.951 -3.645 -0.519) 6.170 6.440 ( -2.952 -4.101 1.068) 5.165 6.572 ( -4.147 -3.630 10.735) 12.067 6.648 ( -6.537 2.680 -1.858) 7.305 6.877 ( -1.163 -0.295 1.377) 1.827 6.921 ( -8.462 -3.452 5.175) 10.502 7.067 ( 1.598 -3.028 7.830) 8.546 7.158 ( -6.751 -4.806 -7.781) 11.367 7.199 ( -3.581 -6.055 -3.902) 8.044 7.408 ( -3.186 -3.901 -2.745) 5.736 7.535 ( -3.433 -11.391 2.602) 12.179 7.576 ( -3.969 -3.125 -8.154) 9.592 7.695 ( -3.022 1.166 2.765) 4.259 7.818 ( -3.944 -2.940 -1.173) 5.057 7.856 ( -2.911 -9.828 6.389) 12.078 8.026 ( 0.197 1.634 5.262) 5.513 8.113 ( -3.407 4.403 3.923) 6.811 8.178 ( 1.302 3.473 -2.123) 4.274 8.366 ( -0.276 4.347 -0.473) 4.381 8.585 ( -3.033 7.221 -2.248) 8.148 8.771 ( 1.425 2.177 0.212) 2.610 8.944 ( -7.831 4.055 2.716) 9.227 9.128 ( 0.554 8.516 -0.147) 8.536 9.289 ( -3.838 10.017 -1.326) 10.809 9.417 ( -2.031 7.677 -1.525) 8.086 9.593 ( -5.106 8.517 -5.270) 11.242 9.847 ( -4.553 0.229 2.706) 5.301 9.913 ( 0.366 -0.916 0.978) 1.389 10.145 ( -1.199 2.464 -0.633) 2.812 10.224 ( 2.383 3.352 -4.662) 6.216 10.406 ( -1.842 3.932 -0.282) 4.351 10.433 ( 1.318 0.385 3.323) 3.596 10.989 ( 1.627 1.561 -0.305) 2.275 11.076 ( 2.767 2.988 3.324) 5.257 11.323 ( -3.696 -1.694 1.449) 4.316 11.514 ( -2.937 6.099 1.636) 6.964 11.720 ( 2.900 -2.599 -0.790) 3.973 11.762 ( 3.921 -1.640 4.779) 6.396 11.820 ( 2.672 -3.199 -4.709) 6.289 12.107 ( 7.986 -3.581 0.813) 8.790 12.137 ( 3.649 -6.080 -2.286) 7.451 12.267 ( -0.017 3.092 -5.038) 5.911 12.412 ( 10.540 7.873 3.568) 13.631 12.558 ( 7.838 4.305 1.511) 9.069 13.847 ( -0.618 4.473 -5.255) 6.929 14.209 ( 10.406 3.189 -2.407) 11.146 14.457 ( -4.067 -4.186 -2.481) 6.342 14.718 ( -0.969 1.080 -0.914) 1.715 15.004 ( -1.668 -1.327 -9.281) 9.523 15.182 ( -0.412 -7.285 20.401) 21.666 15.447 ( -6.000 -11.766 2.949) 13.532 15.806 ( 4.309 12.211 7.382) 14.905 16.227 ( -3.871 -15.176 2.194) 15.815 16.661 ( -7.809 -6.275 -10.638) 14.612 17.730 ( -5.005 2.958 4.225) 7.187 18.196 ( -6.365 2.754 -14.586) 16.150 18.797 ( -19.546 5.730 4.760) 20.918 19.675 ( 16.202 -10.672 11.757) 22.686 20.445 ( -7.721 4.648 -10.148) 13.572 21.198 ( 22.453 1.350 1.266) 22.529 21.775 ( -0.860 0.378 0.177) 0.956 21.859 ( 2.126 -2.064 -0.442) 2.996 22.176 ( -0.132 4.753 0.419) 4.773 22.280 ( 3.951 4.296 -0.742) 5.884 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -25.033 5.948 1.814) 25.794 1.232 ( -5.315 18.240 13.278) 23.178 1.645 ( -8.559 3.186 -1.489) 9.253 1.724 ( -9.717 -0.191 -0.612) 9.738 2.025 ( -4.610 13.546 -5.700) 15.403 2.132 ( 0.307 29.167 3.877) 29.425 2.412 ( -0.609 15.237 -10.824) 18.700 2.541 ( -1.789 4.736 4.855) 7.014 2.662 ( 2.927 2.584 -3.645) 5.341 2.895 ( 5.470 3.853 6.510) 9.335 3.054 ( 9.509 -6.049 1.980) 11.443 3.117 ( 7.023 3.279 1.327) 7.863 3.300 ( 6.610 5.034 4.957) 9.675 3.374 ( 3.026 -4.701 -1.481) 5.784 3.665 ( 0.356 1.429 3.592) 3.882 3.702 ( -4.561 4.000 0.868) 6.129 3.790 ( -8.012 10.835 1.614) 13.572 3.938 ( -0.307 1.844 -3.701) 4.146 4.102 ( -3.349 -4.803 -2.982) 6.571 4.200 ( 4.710 -5.200 1.438) 7.161 4.344 ( 4.817 -5.432 0.987) 7.327 4.518 ( -2.147 1.383 -3.081) 4.002 4.797 ( 6.823 -4.708 -8.571) 11.924 4.993 ( 7.617 -5.155 2.683) 9.581 5.186 ( 14.003 -7.844 0.726) 16.066 5.287 ( -4.254 -5.365 -3.500) 7.690 5.539 ( 1.677 -5.778 5.560) 8.192 5.578 ( 4.834 -0.238 -1.808) 5.166 5.732 ( 8.394 -2.891 -7.179) 11.417 5.760 ( 10.186 0.471 -0.747) 10.224 6.091 ( 2.563 -2.153 -7.841) 8.526 6.147 ( -3.865 -2.846 0.144) 4.802 6.354 ( 2.181 -11.215 -2.328) 11.660 6.382 ( -1.387 -4.132 -4.547) 6.299 6.466 ( 1.765 -3.187 5.556) 6.644 6.647 ( -1.096 -1.860 5.620) 6.020 6.729 ( -15.623 -9.513 8.718) 20.263 6.886 ( -9.694 -9.441 -5.063) 14.448 6.942 ( -2.215 -5.040 2.499) 6.046 7.107 ( 0.954 1.800 -3.290) 3.870 7.157 ( -0.175 6.105 -1.541) 6.299 7.257 ( -10.607 -8.429 -5.137) 14.489 7.416 ( -0.042 0.536 3.408) 3.450 7.593 ( -0.525 -4.564 -3.676) 5.883 7.638 ( -2.661 -5.321 -1.842) 6.228 7.755 ( -3.116 1.567 4.483) 5.680 7.851 ( -1.949 -2.939 7.035) 7.870 7.972 ( -4.967 0.648 0.387) 5.024 8.087 ( -2.939 1.668 4.715) 5.801 8.218 ( -0.936 7.266 3.478) 8.110 8.386 ( 4.259 2.985 -5.579) 7.628 8.523 ( -2.663 12.733 2.465) 13.240 8.796 ( 0.791 5.328 -1.381) 5.560 8.807 ( -5.979 5.125 0.743) 7.910 9.041 ( -5.821 7.418 -2.957) 9.882 9.212 ( -6.627 14.159 -2.073) 15.770 9.388 ( 2.880 3.181 -4.280) 6.061 9.506 ( -2.314 8.246 0.873) 8.609 9.794 ( -2.030 0.898 0.837) 2.372 9.934 ( 0.648 -0.225 -0.786) 1.043 10.086 ( -1.786 2.996 -2.535) 4.312 10.261 ( 2.448 2.893 -1.846) 4.215 10.393 ( -0.909 3.229 2.672) 4.289 10.479 ( 1.397 0.756 5.235) 5.470 11.028 ( 2.138 2.128 0.130) 3.019 11.131 ( 0.586 3.430 3.244) 4.757 11.282 ( -1.194 -1.876 2.419) 3.286 11.483 ( -1.422 3.019 -0.957) 3.471 11.739 ( 1.511 -3.259 -3.275) 4.861 11.826 ( 1.938 -3.254 -1.675) 4.141 11.903 ( 4.519 -1.884 6.389) 8.049 12.130 ( -2.685 -5.295 -2.058) 6.283 12.245 ( 3.941 -2.841 0.080) 4.858 12.254 ( 4.352 3.121 -3.924) 6.639 12.597 ( 2.930 4.008 1.999) 5.352 12.795 ( 18.888 5.329 -4.194) 20.069 13.811 ( 0.774 4.044 0.374) 4.135 14.332 ( -7.971 -15.576 0.109) 17.498 14.388 ( 5.368 4.372 -1.028) 6.999 14.752 ( 6.963 1.559 -2.379) 7.522 14.884 ( -3.992 2.107 -10.474) 11.405 15.199 ( -10.197 -13.035 13.803) 21.550 15.394 ( -2.107 0.317 9.729) 9.960 15.830 ( -8.584 7.354 7.080) 13.338 16.198 ( 7.996 -2.272 -4.943) 9.671 16.566 ( -4.222 -9.208 3.755) 10.804 17.655 ( -4.627 5.982 2.016) 7.827 18.015 ( -2.979 7.823 -13.365) 15.770 18.516 ( -12.394 0.711 7.532) 14.521 19.888 ( -0.177 -21.364 -9.661) 23.448 20.395 ( 6.133 14.426 11.986) 19.733 21.471 ( 7.089 -0.652 -2.122) 7.429 21.774 ( -0.123 -0.133 0.971) 0.987 21.939 ( 6.335 -3.966 -1.489) 7.621 22.170 ( -0.286 3.864 -0.181) 3.879 22.389 ( 9.104 1.327 -5.459) 10.698 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.274 3.644 7.216) 8.184 1.358 ( 1.484 -10.601 -2.597) 11.014 1.591 ( -4.035 13.109 4.368) 14.395 1.777 ( 5.428 8.144 2.635) 10.135 2.186 ( 0.454 9.200 -5.234) 10.595 2.339 ( -3.627 -2.974 -6.146) 7.732 2.515 ( 1.191 -2.727 1.017) 3.144 2.801 ( -2.500 7.870 -10.360) 13.249 2.889 ( 1.734 16.824 0.513) 16.921 2.978 ( -2.176 1.456 2.080) 3.344 3.096 ( -0.012 4.890 2.768) 5.619 3.184 ( -3.636 1.152 4.496) 5.896 3.400 ( 0.397 1.455 8.356) 8.491 3.656 ( 3.690 8.066 2.233) 9.147 3.680 ( -4.646 6.402 0.338) 7.917 3.817 ( 4.459 -1.175 1.357) 4.807 3.889 ( -0.116 0.179 1.926) 1.938 3.927 ( -1.516 3.845 -3.488) 5.408 4.120 ( 4.893 7.948 2.882) 9.768 4.248 ( -4.970 1.357 1.527) 5.374 4.367 ( 0.446 6.958 0.647) 7.002 4.556 ( 0.747 5.184 -2.393) 5.758 4.792 ( 8.659 -8.594 -4.133) 12.881 4.908 ( -8.939 -5.938 -1.699) 10.865 5.021 ( -3.134 -4.687 -7.860) 9.673 5.126 ( 1.146 -7.782 1.052) 7.936 5.480 ( 5.829 -3.198 -4.400) 7.973 5.626 ( -3.133 -3.227 -1.649) 4.791 5.697 ( 10.054 -3.005 -4.288) 11.336 5.818 ( -2.266 -7.069 -11.244) 13.474 5.912 ( 4.045 -8.304 -4.386) 10.226 5.958 ( -5.461 -10.313 -0.238) 11.672 6.091 ( -10.474 -1.339 3.684) 11.184 6.206 ( -1.665 -13.355 5.385) 14.495 6.421 ( 6.568 -4.976 7.231) 10.963 6.491 ( 0.353 -5.682 6.709) 8.799 6.508 ( -5.946 4.237 10.714) 12.965 6.712 ( -4.189 -1.054 -3.117) 5.327 6.814 ( 0.669 -1.336 -4.249) 4.504 7.075 ( 4.723 -7.681 8.241) 12.215 7.268 ( 5.141 4.559 -7.797) 10.393 7.375 ( 0.476 3.235 -5.149) 6.100 7.379 ( -1.524 3.087 -3.490) 4.902 7.498 ( 4.450 -1.199 -7.234) 8.578 7.576 ( 4.893 -1.001 5.814) 7.665 7.800 ( -0.210 0.830 3.822) 3.917 7.857 ( -4.773 3.655 7.596) 9.687 7.980 ( -1.783 3.387 7.930) 8.806 8.050 ( -1.905 -2.236 3.335) 4.444 8.304 ( -2.966 3.845 -5.511) 7.345 8.467 ( 3.710 0.723 -3.377) 5.068 8.611 ( -5.786 -0.581 -2.610) 6.374 8.772 ( 1.299 6.833 5.252) 8.715 9.073 ( 4.571 2.789 4.075) 6.729 9.190 ( 2.479 10.547 -0.936) 10.875 9.284 ( -3.130 7.724 -11.879) 14.511 9.407 ( -0.727 1.965 -1.933) 2.851 9.716 ( -0.437 7.023 -1.332) 7.162 9.813 ( 0.869 2.637 0.119) 2.779 9.936 ( -1.730 2.342 -2.512) 3.845 10.138 ( 0.869 3.796 1.701) 4.250 10.337 ( 0.656 1.933 -1.302) 2.422 10.443 ( 0.060 2.564 1.605) 3.026 10.535 ( 0.791 -0.878 3.166) 3.379 11.121 ( 1.573 3.303 2.057) 4.197 11.191 ( -1.318 1.829 2.127) 3.099 11.297 ( 0.355 0.424 6.564) 6.587 11.487 ( -1.749 3.280 -6.327) 7.337 11.642 ( -0.848 -6.012 -0.565) 6.098 11.771 ( 3.664 -4.096 -7.277) 9.119 11.919 ( -3.009 -5.634 -2.687) 6.929 11.987 ( -0.095 -0.910 2.274) 2.452 12.241 ( -0.737 -0.595 5.029) 5.118 12.341 ( 1.358 0.015 5.190) 5.365 12.638 ( -4.047 2.819 -2.476) 5.519 12.907 ( 0.190 -5.602 -5.055) 7.548 13.840 ( 4.022 -5.069 0.175) 6.473 13.970 ( -0.897 -9.636 -1.872) 9.857 14.604 ( 4.452 9.046 3.599) 10.705 14.736 ( -7.484 -1.345 1.926) 7.844 14.870 ( -2.545 -0.798 -0.590) 2.732 15.050 ( 6.995 -3.519 -0.505) 7.847 15.559 ( 1.717 8.725 9.958) 13.351 15.743 ( -5.757 -0.742 5.646) 8.097 16.359 ( -0.291 -0.757 2.397) 2.531 16.639 ( 3.267 18.286 2.800) 18.786 17.544 ( -1.199 -8.488 -0.845) 8.614 18.206 ( 6.285 9.896 -9.658) 15.190 18.501 ( -0.485 3.720 6.569) 7.564 19.230 ( -6.707 -25.629 -16.376) 31.145 20.859 ( 2.795 13.349 12.961) 18.815 21.473 ( -0.426 -2.380 -3.696) 4.416 21.749 ( -0.468 -1.429 0.710) 1.663 21.883 ( 0.636 -6.264 -1.881) 6.571 22.237 ( 0.318 2.575 0.185) 2.601 22.362 ( -0.702 -3.641 -4.386) 5.744 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 22.765 1.472 6.133) 23.623 1.456 ( 6.039 2.544 -4.223) 7.796 1.659 ( 13.489 -2.462 4.291) 14.368 1.961 ( 10.070 10.355 6.099) 15.679 2.186 ( 3.524 10.729 -5.565) 12.590 2.236 ( -3.805 -5.318 -4.441) 7.904 2.523 ( -2.135 1.038 -1.789) 2.973 2.684 ( -2.493 10.860 -8.378) 13.941 2.847 ( -7.226 5.637 -2.664) 9.545 2.923 ( -1.866 13.846 2.713) 14.233 3.083 ( -4.706 2.482 1.360) 5.491 3.122 ( -5.258 -1.291 5.918) 8.021 3.324 ( -10.446 3.374 6.493) 12.753 3.563 ( -11.280 5.495 2.545) 12.803 3.692 ( -2.017 3.085 2.425) 4.413 3.812 ( -3.778 4.817 -0.068) 6.122 3.863 ( -3.510 -4.442 -0.189) 5.664 3.927 ( -2.254 0.227 -0.277) 2.282 4.137 ( -1.747 3.010 -1.393) 3.749 4.169 ( 0.512 5.209 2.117) 5.646 4.351 ( -4.120 3.119 0.020) 5.167 4.587 ( 1.454 1.836 -1.754) 2.926 4.680 ( -7.920 -11.097 -11.017) 17.529 4.794 ( -6.637 -9.429 8.747) 14.473 5.037 ( 1.881 2.275 -3.642) 4.688 5.130 ( 3.065 -5.030 -1.727) 6.139 5.466 ( -7.577 2.250 0.881) 7.952 5.555 ( 2.337 -2.639 -8.779) 9.461 5.717 ( -1.779 -2.431 -8.639) 9.149 5.828 ( 5.922 -5.330 -4.019) 8.924 5.882 ( -2.166 -5.847 -0.265) 6.241 5.959 ( -3.083 2.257 4.128) 5.625 6.065 ( 8.751 -13.420 -0.908) 16.046 6.227 ( 1.447 -13.477 3.163) 13.918 6.461 ( 1.903 5.421 -0.273) 5.752 6.564 ( 3.097 -1.974 4.803) 6.046 6.624 ( 6.034 -7.183 9.601) 13.424 6.686 ( 1.092 0.706 5.456) 5.609 6.896 ( 8.198 -2.033 -2.792) 8.896 7.191 ( 3.495 -3.825 2.908) 5.941 7.298 ( -3.082 0.448 -0.977) 3.264 7.319 ( 2.451 -0.639 -7.534) 7.949 7.368 ( 3.211 -1.874 -7.319) 8.209 7.567 ( 6.670 -1.557 -3.823) 7.844 7.726 ( 5.795 2.084 7.643) 9.815 7.772 ( -4.214 -0.240 6.045) 7.372 7.835 ( -2.940 5.229 4.636) 7.582 7.975 ( -1.846 1.594 0.608) 2.513 8.059 ( -1.367 -0.712 6.095) 6.287 8.231 ( -0.110 2.560 -6.665) 7.141 8.464 ( -0.941 3.029 -0.577) 3.224 8.576 ( 2.838 -1.104 -2.134) 3.719 8.854 ( 3.013 6.231 7.464) 10.179 9.100 ( -4.298 9.360 -12.574) 16.254 9.175 ( 3.354 6.663 6.311) 9.771 9.322 ( 9.118 7.798 -3.781) 12.579 9.439 ( 3.654 -0.175 0.029) 3.659 9.645 ( -3.558 3.071 -8.592) 9.794 9.850 ( 2.552 3.455 1.451) 4.534 9.928 ( 1.939 1.287 -0.237) 2.339 10.173 ( 0.923 4.474 1.732) 4.885 10.319 ( -1.548 0.782 -1.182) 2.099 10.458 ( 0.520 3.530 1.128) 3.742 10.566 ( 1.107 0.762 2.306) 2.669 11.142 ( -2.122 2.682 2.853) 4.454 11.157 ( -2.649 3.140 1.323) 4.316 11.342 ( -0.418 1.083 7.034) 7.130 11.443 ( 0.819 1.195 -3.389) 3.686 11.606 ( -1.761 -5.800 -3.016) 6.770 11.791 ( 2.822 -5.750 -7.408) 9.793 11.841 ( -3.363 -4.165 -1.087) 5.462 11.948 ( -3.462 -1.528 -3.193) 4.951 12.234 ( -4.140 1.829 8.846) 9.937 12.366 ( -3.392 0.290 5.358) 6.348 12.529 ( -4.512 2.471 -1.667) 5.407 12.799 ( -7.339 -4.041 -4.448) 9.486 13.950 ( 6.177 -8.199 2.346) 10.530 13.980 ( 2.796 -10.783 -3.841) 11.784 14.510 ( -11.235 3.029 -0.171) 11.637 14.725 ( -8.996 -3.769 -0.567) 9.771 14.820 ( 10.473 9.374 4.617) 14.794 15.250 ( 10.754 -2.752 -4.266) 11.892 15.626 ( -2.979 10.265 13.505) 17.222 15.682 ( -2.298 5.449 2.727) 6.512 16.312 ( -5.517 3.086 0.278) 6.328 16.740 ( 5.628 7.505 5.177) 10.714 17.539 ( 0.670 -9.450 1.055) 9.533 18.317 ( 11.459 9.922 -10.060) 18.193 18.657 ( 11.492 -2.067 9.978) 15.359 18.971 ( -9.095 -20.646 -18.838) 29.391 20.942 ( -2.527 8.101 12.768) 15.331 21.360 ( -9.434 -1.315 -6.295) 11.417 21.755 ( 0.605 -1.299 0.623) 1.563 21.852 ( -1.905 -4.248 -1.297) 4.833 22.247 ( 0.194 2.452 0.192) 2.467 22.308 ( -1.426 -0.899 -3.033) 3.470 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 8.522 4.354 -1.650) 9.711 1.661 ( 18.502 0.900 3.355) 18.826 1.991 ( 13.875 -8.100 0.214) 16.068 2.119 ( 2.622 5.565 -4.891) 7.860 2.221 ( 6.016 4.342 7.594) 10.616 2.247 ( 4.525 8.678 -1.571) 9.912 2.405 ( -6.497 6.101 -5.291) 10.365 2.612 ( -2.232 7.641 -5.153) 9.482 2.719 ( -1.715 10.724 -1.196) 10.926 2.878 ( -14.787 8.207 2.171) 17.050 2.959 ( 2.012 8.856 4.210) 10.010 3.063 ( -4.096 2.150 2.674) 5.343 3.231 ( -3.624 -3.171 5.128) 7.035 3.353 ( -11.159 1.128 3.585) 11.775 3.556 ( -11.978 -1.827 3.175) 12.525 3.649 ( -13.427 -4.250 -3.850) 14.600 3.817 ( -4.890 -6.416 -3.980) 8.995 3.851 ( 2.018 2.978 1.055) 3.749 4.130 ( -2.454 0.697 -1.311) 2.868 4.217 ( -1.863 -1.738 2.482) 3.558 4.286 ( 5.653 6.121 -2.414) 8.674 4.439 ( -14.286 -6.235 -1.026) 15.621 4.573 ( 0.284 -8.565 -5.459) 10.161 4.707 ( -10.434 -9.325 4.238) 14.621 5.012 ( 0.613 6.643 -2.430) 7.100 5.225 ( 5.434 0.795 3.688) 6.616 5.374 ( -1.977 3.839 -0.063) 4.319 5.545 ( -0.082 -1.918 -7.803) 8.036 5.689 ( 3.714 1.167 -5.031) 6.361 5.803 ( -2.961 -2.972 0.062) 4.196 5.904 ( -0.061 -0.483 6.185) 6.204 5.942 ( 1.480 -1.443 -3.923) 4.435 6.240 ( 7.925 -6.826 1.876) 10.626 6.294 ( 5.458 -4.581 -4.477) 8.415 6.532 ( 3.289 5.870 1.741) 6.950 6.646 ( 2.020 -3.842 6.453) 7.777 6.763 ( 3.742 -6.825 8.139) 11.262 6.803 ( 8.728 -2.354 2.176) 9.298 7.020 ( 6.634 -0.194 -2.275) 7.016 7.196 ( -3.973 -0.219 -1.039) 4.112 7.280 ( 0.954 -6.826 -0.467) 6.908 7.299 ( 1.949 -5.485 -4.136) 7.141 7.403 ( 2.935 -0.737 -3.960) 4.984 7.593 ( -6.175 -6.219 -1.361) 8.869 7.703 ( -0.500 0.452 -1.615) 1.750 7.829 ( 0.883 1.844 5.491) 5.859 7.887 ( 4.441 -3.246 -4.870) 7.347 7.985 ( 3.349 5.853 9.883) 11.964 8.028 ( -2.797 0.950 -3.093) 4.277 8.227 ( 1.271 1.550 1.511) 2.510 8.476 ( 0.815 2.000 0.801) 2.303 8.608 ( 0.429 -0.147 -0.060) 0.458 8.900 ( -2.251 7.241 -1.479) 7.726 9.024 ( 2.012 6.637 -0.220) 6.939 9.295 ( 6.105 7.554 4.608) 10.750 9.442 ( 5.584 3.580 -5.616) 8.691 9.486 ( 0.453 6.904 -5.773) 9.011 9.587 ( 5.927 0.207 -3.511) 6.892 9.916 ( 2.943 2.826 3.291) 5.242 9.979 ( 2.332 1.503 1.777) 3.295 10.176 ( -0.798 3.202 -0.645) 3.363 10.263 ( -3.730 -1.497 -1.054) 4.155 10.480 ( 1.291 6.404 0.249) 6.538 10.607 ( 2.122 3.571 0.798) 4.230 11.067 ( -4.718 2.968 -0.189) 5.577 11.122 ( -3.475 1.418 1.394) 4.004 11.359 ( -1.098 3.099 4.573) 5.633 11.481 ( 2.510 -0.849 3.175) 4.135 11.563 ( 0.235 -4.277 -3.912) 5.801 11.749 ( -2.649 -7.504 -2.532) 8.351 11.832 ( 2.115 -1.960 -4.032) 4.957 11.861 ( -3.015 -3.513 -2.039) 5.059 12.190 ( -6.612 2.028 7.048) 9.875 12.271 ( -6.383 2.413 -0.293) 6.830 12.481 ( -2.699 0.448 2.583) 3.763 12.638 ( -7.417 -0.423 -0.762) 7.468 13.930 ( -5.160 -3.883 -2.735) 7.013 14.099 ( 7.131 -11.693 1.538) 13.782 14.362 ( -3.330 0.279 -2.627) 4.251 14.584 ( -5.706 -9.771 0.955) 11.356 15.025 ( 8.217 9.118 2.859) 12.602 15.330 ( 2.054 2.088 -6.410) 7.047 15.610 ( -3.399 2.842 7.003) 8.287 15.711 ( 0.459 21.843 6.573) 22.815 16.184 ( -7.020 5.108 -1.367) 8.789 16.887 ( 6.226 -7.918 2.537) 10.387 17.575 ( 1.158 -9.947 4.207) 10.862 18.454 ( 9.517 2.559 -16.358) 19.097 18.750 ( -3.240 -8.722 -6.102) 11.127 18.986 ( 16.230 -6.879 9.655) 20.098 20.905 ( -8.039 4.694 5.681) 10.905 21.080 ( -15.095 1.376 -4.693) 15.868 21.776 ( 1.262 -0.821 0.266) 1.529 21.824 ( -0.567 -1.739 -0.379) 1.868 22.237 ( -0.567 2.930 -0.371) 3.008 22.299 ( 0.609 0.776 -0.182) 1.003 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.432 4.364 -0.299) 7.779 1.885 ( 6.817 2.180 -7.039) 10.038 2.077 ( 1.616 -2.348 2.306) 3.666 2.144 ( -1.172 6.872 -0.457) 6.987 2.186 ( -7.446 1.226 -1.078) 7.623 2.283 ( 2.509 12.333 -4.689) 13.430 2.464 ( 3.563 4.304 8.190) 9.914 2.580 ( -1.115 17.406 -1.597) 17.514 2.667 ( -1.254 6.565 5.178) 8.455 2.797 ( 5.717 0.339 -1.352) 5.884 2.993 ( -1.889 1.816 1.894) 3.233 3.074 ( 2.321 -2.863 3.833) 5.317 3.218 ( -2.956 0.478 3.581) 4.667 3.262 ( 3.279 0.178 1.263) 3.519 3.361 ( -13.018 -1.627 -3.452) 13.566 3.376 ( -9.417 -3.168 2.743) 10.307 3.742 ( 0.241 -9.336 -4.304) 10.283 3.878 ( -0.062 -2.619 -0.489) 2.665 4.058 ( -1.776 1.598 -2.352) 3.353 4.181 ( -9.652 -5.433 3.560) 11.634 4.247 ( 1.881 -3.129 -2.144) 4.234 4.372 ( 3.245 4.891 -2.630) 6.432 4.491 ( -8.201 -15.567 -1.037) 17.625 4.608 ( 1.238 1.060 -0.042) 1.630 5.025 ( 2.383 6.225 1.374) 6.805 5.321 ( -1.081 8.017 1.495) 8.226 5.381 ( 3.045 -3.223 0.315) 4.445 5.456 ( -2.129 0.902 -5.991) 6.421 5.749 ( 1.263 4.060 3.235) 5.343 5.783 ( -0.122 -0.973 -0.922) 1.346 5.894 ( -0.119 -1.074 -1.976) 2.252 6.003 ( 4.865 -2.460 0.604) 5.485 6.328 ( 3.000 2.651 -2.389) 4.662 6.380 ( 4.246 -5.622 -0.662) 7.077 6.538 ( -3.923 6.556 2.927) 8.181 6.717 ( 2.323 -4.930 5.715) 7.897 6.867 ( 1.793 -3.627 6.324) 7.508 6.954 ( 3.323 -5.345 2.097) 6.634 7.100 ( -3.404 -2.764 -0.650) 4.433 7.150 ( 6.756 1.684 -2.121) 7.279 7.243 ( 1.165 -6.797 -4.271) 8.112 7.330 ( -2.723 -2.106 -3.222) 4.715 7.420 ( -5.082 -7.963 0.491) 9.460 7.439 ( 1.574 -7.725 -1.463) 8.019 7.720 ( 1.668 -0.628 0.283) 1.805 7.823 ( -5.090 -2.426 -3.823) 6.813 7.906 ( 3.645 -0.919 -0.577) 3.803 7.945 ( -1.676 0.912 -8.507) 8.718 8.150 ( 3.996 3.627 10.663) 11.951 8.292 ( 2.848 2.558 6.267) 7.344 8.462 ( -1.147 0.735 -3.600) 3.849 8.582 ( -2.901 1.161 0.432) 3.155 8.848 ( -1.187 5.336 -1.861) 5.774 9.057 ( 0.860 2.690 -1.314) 3.115 9.382 ( -0.376 9.126 1.604) 9.273 9.484 ( 5.109 8.313 4.167) 10.611 9.535 ( 6.278 5.557 -9.110) 12.381 9.695 ( 5.070 0.481 -1.591) 5.336 9.973 ( -0.322 1.413 4.180) 4.424 10.005 ( -1.597 1.455 2.459) 3.274 10.158 ( 0.361 2.892 -1.244) 3.169 10.204 ( -1.143 -1.163 -0.028) 1.631 10.493 ( 0.010 8.188 -0.517) 8.204 10.630 ( 0.029 4.690 -2.221) 5.190 11.010 ( -0.574 1.837 -0.610) 2.019 11.057 ( -3.662 0.656 0.495) 3.754 11.364 ( -1.158 2.238 4.279) 4.965 11.538 ( 2.344 -0.276 1.531) 2.814 11.599 ( 3.550 -1.928 1.358) 4.262 11.699 ( -0.862 -7.062 -2.067) 7.409 11.783 ( -2.260 -3.182 -0.866) 3.997 11.884 ( 2.695 -4.737 0.155) 5.453 12.047 ( -9.549 2.109 -1.727) 9.930 12.216 ( 1.199 1.799 -1.038) 2.398 12.437 ( -3.059 1.373 2.471) 4.165 12.537 ( -4.337 1.727 1.393) 4.871 13.836 ( -2.329 3.549 1.219) 4.416 14.191 ( 0.770 -6.695 -0.910) 6.800 14.337 ( 3.291 -9.056 -3.475) 10.243 14.530 ( -1.965 -15.594 2.172) 15.866 15.138 ( 3.321 7.669 1.159) 8.437 15.304 ( -0.786 6.893 -2.636) 7.422 15.546 ( -8.550 8.969 3.603) 12.904 15.790 ( 6.633 17.403 0.387) 18.628 16.085 ( -3.945 6.245 4.188) 8.491 16.915 ( -2.383 -16.338 -8.986) 18.798 17.617 ( -0.216 -10.263 6.272) 12.030 18.452 ( 4.728 -8.111 -17.514) 19.872 18.838 ( 8.252 5.452 9.450) 13.679 19.268 ( 6.160 -9.317 6.389) 12.868 20.744 ( -4.805 6.893 -3.931) 9.277 20.851 ( -9.548 0.950 0.763) 9.625 21.799 ( 1.053 -0.711 -0.012) 1.271 21.816 ( -0.460 -0.518 -0.200) 0.721 22.236 ( 0.248 3.290 0.825) 3.400 22.306 ( 0.177 1.219 -0.172) 1.244 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -8.798 9.293 -2.220) 12.988 1.955 ( -14.107 2.717 -0.029) 14.367 1.974 ( 2.575 -0.009 -7.473) 7.905 2.101 ( -2.279 9.343 2.561) 9.952 2.178 ( 2.319 -2.217 0.109) 3.210 2.386 ( 10.764 7.143 -0.528) 12.929 2.461 ( 0.402 10.556 2.566) 10.871 2.606 ( 1.647 12.783 -3.217) 13.284 2.755 ( 2.596 2.888 9.525) 10.286 2.866 ( 2.426 0.731 1.190) 2.799 2.969 ( -5.855 0.314 1.329) 6.012 3.075 ( -3.401 1.522 5.071) 6.293 3.150 ( -4.960 5.757 -2.131) 7.892 3.203 ( 0.228 -5.667 -2.507) 6.201 3.286 ( 4.862 -1.893 3.266) 6.156 3.489 ( 12.690 -5.544 1.260) 13.905 3.786 ( 5.552 -5.439 -2.505) 8.166 3.855 ( 0.303 -9.228 -1.420) 9.341 4.060 ( 2.891 2.193 0.156) 3.632 4.106 ( -1.216 -4.363 1.193) 4.684 4.292 ( 1.795 2.075 -6.461) 7.019 4.387 ( 3.598 -12.370 -5.190) 13.889 4.405 ( 0.203 1.986 4.650) 5.061 4.658 ( 3.793 0.652 0.716) 3.914 5.136 ( 6.563 4.330 6.082) 9.940 5.231 ( -6.734 5.155 -2.658) 8.887 5.336 ( -2.507 -2.110 -3.164) 4.555 5.506 ( 4.414 2.522 -2.260) 5.564 5.719 ( -4.184 0.431 -1.594) 4.498 5.788 ( -0.825 5.975 4.734) 7.668 5.897 ( 1.884 -4.193 -4.046) 6.124 6.093 ( 3.938 -3.420 0.149) 5.218 6.334 ( -0.866 0.825 -1.683) 2.065 6.412 ( 0.297 0.821 -5.339) 5.410 6.496 ( -3.431 1.476 12.690) 13.228 6.779 ( -1.729 -7.358 6.679) 10.087 6.860 ( -6.107 -4.861 -2.830) 8.303 6.892 ( -8.394 -4.863 10.581) 14.355 7.066 ( 0.374 2.296 -3.311) 4.046 7.152 ( -6.172 -3.071 -5.839) 9.035 7.242 ( 2.051 -2.541 0.851) 3.375 7.326 ( 5.729 -1.719 -4.519) 7.497 7.357 ( -0.382 -7.325 -5.536) 9.190 7.529 ( 5.245 -8.936 -0.551) 10.376 7.686 ( -4.296 -2.001 -5.960) 7.614 7.704 ( -5.810 -3.851 3.144) 7.647 7.900 ( 0.421 -0.567 -5.699) 5.743 7.971 ( 2.985 0.632 5.353) 6.162 8.196 ( -3.345 3.047 4.609) 6.459 8.340 ( -1.837 5.947 0.511) 6.245 8.429 ( -1.491 0.204 2.251) 2.708 8.582 ( 5.458 -0.768 -2.332) 5.985 8.817 ( -2.552 4.378 1.244) 5.218 9.059 ( 1.260 0.002 -4.421) 4.597 9.372 ( -2.665 12.713 4.276) 13.675 9.539 ( 0.658 7.213 -7.363) 10.328 9.582 ( 1.559 6.480 -1.474) 6.826 9.761 ( 2.192 2.048 5.372) 6.152 9.920 ( -6.336 0.513 1.256) 6.480 9.964 ( -3.417 0.742 1.348) 3.748 10.184 ( 2.147 3.461 0.001) 4.072 10.231 ( 2.995 0.224 0.188) 3.009 10.480 ( -0.926 6.801 -0.155) 6.865 10.572 ( -3.843 4.733 -3.972) 7.277 11.010 ( -0.596 1.171 -0.155) 1.323 11.047 ( 3.560 1.514 0.374) 3.886 11.356 ( -2.824 0.561 3.269) 4.356 11.586 ( 1.354 -3.090 -0.375) 3.394 11.646 ( 2.114 -2.222 4.026) 5.062 11.682 ( -1.489 -1.347 -0.547) 2.081 11.836 ( 7.708 -0.349 1.485) 7.857 11.869 ( -5.968 1.123 -0.228) 6.077 11.945 ( 3.463 -7.424 -3.703) 8.990 12.277 ( 4.781 0.038 -2.856) 5.569 12.423 ( 0.473 3.045 2.884) 4.221 12.505 ( 1.538 2.411 1.327) 3.153 13.877 ( 3.595 4.396 3.509) 6.676 14.132 ( -3.229 -5.776 -3.956) 7.709 14.393 ( 1.751 -9.596 -2.985) 10.201 14.541 ( 3.553 -14.545 1.037) 15.008 15.177 ( -1.555 11.229 3.607) 11.896 15.280 ( -1.913 10.185 1.513) 10.473 15.375 ( -8.307 1.725 0.051) 8.484 15.921 ( 7.199 2.711 -5.081) 9.220 16.085 ( -1.061 13.149 10.603) 16.925 16.732 ( -7.249 -11.032 -14.583) 19.671 17.634 ( -2.106 -10.530 6.542) 12.574 18.433 ( 2.039 -2.330 -14.516) 14.842 19.086 ( 9.821 -4.028 15.326) 18.643 19.208 ( -13.860 -3.405 1.007) 14.308 20.693 ( -4.756 3.868 -4.132) 7.392 20.845 ( 14.952 2.919 -0.409) 15.240 21.797 ( -1.196 -0.273 -0.061) 1.228 21.812 ( 0.208 -0.870 -0.236) 0.925 22.251 ( 0.524 3.078 1.321) 3.390 22.304 ( 0.022 1.267 -0.394) 1.327 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -9.636 7.958 -1.525) 12.590 1.644 ( -17.032 5.710 4.511) 18.521 1.838 ( -12.382 -4.712 -5.538) 14.359 2.017 ( -9.857 9.280 0.168) 13.539 2.178 ( 2.185 -3.227 -2.546) 4.655 2.439 ( -2.228 7.356 -0.088) 7.687 2.647 ( 3.378 1.259 7.305) 8.146 2.677 ( 7.828 11.204 -5.323) 14.667 2.783 ( 0.972 12.117 -3.751) 12.721 2.878 ( 5.759 7.502 2.993) 9.920 2.988 ( 3.375 -6.075 2.742) 7.471 3.028 ( -1.215 8.739 5.050) 10.166 3.171 ( 4.871 4.921 3.214) 7.634 3.268 ( 8.074 -0.022 0.334) 8.081 3.479 ( 11.840 -1.639 2.257) 12.164 3.689 ( 8.825 -4.907 -1.638) 10.229 3.823 ( 1.493 -4.559 -3.477) 5.925 3.921 ( 2.616 -8.333 2.204) 9.008 4.096 ( 0.199 -5.856 -2.343) 6.310 4.160 ( 6.464 1.719 2.608) 7.179 4.242 ( -1.131 10.380 -3.896) 11.144 4.437 ( 5.933 -6.021 -1.729) 8.628 4.567 ( 10.248 -3.009 -0.851) 10.715 4.768 ( 7.833 -2.237 3.010) 8.684 5.082 ( -5.279 2.527 -2.951) 6.555 5.253 ( -3.309 -4.367 -2.594) 6.062 5.335 ( 7.308 2.460 4.646) 9.002 5.555 ( 4.360 -0.744 -6.007) 7.460 5.615 ( -3.879 1.542 -1.914) 4.592 5.792 ( -0.565 4.977 -1.337) 5.185 5.911 ( 0.739 -4.185 0.231) 4.256 6.132 ( 0.887 -6.529 -1.345) 6.725 6.296 ( -3.226 -1.146 2.377) 4.167 6.361 ( -3.173 0.544 0.227) 3.227 6.513 ( -4.572 -3.328 6.470) 8.592 6.641 ( -12.946 -7.800 1.605) 15.199 6.729 ( -6.696 -5.180 9.242) 12.533 6.810 ( -8.945 -6.781 4.332) 12.032 6.994 ( -4.720 2.083 -1.849) 5.481 7.099 ( 2.443 0.603 -3.357) 4.195 7.260 ( -0.381 -0.372 -7.509) 7.528 7.346 ( 0.567 -7.132 -1.181) 7.252 7.352 ( 1.665 2.134 -6.627) 7.159 7.487 ( -2.764 -6.044 -3.785) 7.648 7.610 ( -2.493 -5.441 -4.630) 7.567 7.716 ( 2.881 -3.317 5.693) 7.192 7.868 ( -1.414 3.428 1.188) 3.894 8.041 ( -0.421 -1.096 4.224) 4.384 8.133 ( -4.961 1.726 3.162) 6.131 8.311 ( 1.243 7.487 -0.248) 7.593 8.422 ( -0.729 0.198 0.581) 0.953 8.690 ( 5.023 -3.263 0.382) 6.002 8.774 ( -3.039 6.393 3.078) 7.719 9.030 ( -2.163 1.755 -3.175) 4.223 9.317 ( -3.325 9.139 -4.993) 10.932 9.452 ( -4.040 5.191 -7.562) 10.023 9.584 ( -2.815 8.810 7.461) 11.883 9.775 ( -4.291 6.257 -2.957) 8.143 9.847 ( -1.732 1.510 3.530) 4.212 9.924 ( -0.132 1.520 1.838) 2.389 10.207 ( -0.676 3.122 0.385) 3.217 10.274 ( 2.710 1.042 -4.030) 4.967 10.466 ( -0.892 3.415 1.264) 3.749 10.487 ( -2.383 3.562 -0.737) 4.348 11.026 ( 2.298 2.303 -0.403) 3.278 11.124 ( 3.530 1.619 1.545) 4.179 11.300 ( -3.923 -0.196 1.741) 4.296 11.600 ( 0.567 -0.728 -0.872) 1.270 11.645 ( -1.874 -2.935 1.050) 3.637 11.732 ( 3.185 -0.925 -2.195) 3.976 11.810 ( 1.681 2.029 2.824) 3.863 11.986 ( 2.815 -7.742 -3.871) 9.102 12.023 ( 9.092 -2.802 2.845) 9.930 12.289 ( -1.041 -1.318 -0.078) 1.682 12.535 ( 8.027 4.115 4.045) 9.886 12.620 ( 9.682 1.589 -0.147) 9.812 13.891 ( -2.869 0.111 -3.610) 4.613 14.102 ( -0.633 -10.132 0.860) 10.189 14.402 ( 4.398 -1.093 -2.635) 5.242 14.643 ( 5.597 -7.328 -0.420) 9.231 15.052 ( -12.022 5.416 3.755) 13.710 15.231 ( -4.295 7.390 0.203) 8.550 15.358 ( 2.883 3.063 4.146) 5.906 15.920 ( -5.496 -13.360 2.031) 14.588 16.181 ( 6.063 16.407 3.146) 17.772 16.579 ( -1.093 3.997 -7.618) 8.672 17.618 ( -3.117 -9.768 4.598) 11.237 18.338 ( -2.829 4.360 -12.970) 13.973 18.888 ( -18.587 3.082 -0.452) 18.846 19.319 ( 5.848 -18.916 9.633) 22.018 20.636 ( 1.536 11.958 -2.700) 12.355 21.184 ( 18.635 -2.925 -0.209) 18.865 21.775 ( -1.038 -0.136 0.269) 1.081 21.812 ( 0.431 -2.122 -0.647) 2.260 22.255 ( -0.677 2.834 0.181) 2.919 22.319 ( 1.935 0.224 0.082) 1.950 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -22.613 3.017 1.880) 22.891 1.496 ( -11.395 -3.319 0.054) 11.868 1.600 ( -3.996 7.668 5.176) 10.077 1.824 ( -8.607 7.549 -2.566) 11.733 2.201 ( 1.549 -0.498 -3.821) 4.153 2.411 ( -0.551 2.721 -3.375) 4.370 2.544 ( -6.274 2.397 0.544) 6.738 2.803 ( 8.509 12.147 -6.350) 16.133 2.880 ( 0.141 9.031 -6.028) 10.859 2.948 ( 3.645 1.434 6.059) 7.215 3.032 ( 2.105 10.788 6.941) 13.000 3.154 ( 4.596 1.392 4.564) 6.625 3.291 ( 4.714 -0.392 4.699) 6.667 3.486 ( 12.341 10.068 1.834) 16.032 3.691 ( 8.523 0.283 1.762) 8.708 3.781 ( -0.228 0.867 -1.353) 1.622 3.848 ( 2.323 -3.066 0.469) 3.875 3.918 ( 2.333 -4.601 -2.504) 5.734 4.065 ( -1.071 6.332 -3.469) 7.299 4.267 ( 1.100 1.641 5.429) 5.777 4.302 ( 6.238 7.426 2.112) 9.926 4.514 ( 5.151 -4.171 -5.490) 8.606 4.693 ( 3.360 -2.325 0.586) 4.128 4.963 ( 8.682 -2.437 -0.774) 9.051 5.041 ( 4.195 -3.116 -3.594) 6.343 5.141 ( -7.083 -6.387 -2.938) 9.980 5.420 ( 2.064 -3.093 -0.975) 3.844 5.578 ( 4.708 -1.362 -4.771) 6.840 5.666 ( 3.593 -4.563 -4.943) 7.627 5.790 ( 5.108 0.527 0.499) 5.159 5.898 ( -1.244 -6.720 -4.328) 8.090 6.118 ( -2.973 -11.146 -0.626) 11.552 6.229 ( -8.778 -2.196 4.518) 10.114 6.279 ( -6.150 -3.539 0.508) 7.113 6.377 ( -6.643 -4.830 2.210) 8.506 6.488 ( -5.466 -9.349 5.933) 12.348 6.590 ( -11.696 0.143 10.524) 15.735 6.779 ( -0.266 -0.694 1.158) 1.376 6.913 ( -3.559 -1.050 -1.718) 4.089 7.025 ( -6.837 -8.374 0.000) 10.811 7.226 ( 4.106 5.296 -7.266) 9.885 7.346 ( 4.467 4.571 -4.333) 7.722 7.395 ( 1.084 1.968 1.312) 2.601 7.491 ( 2.546 -5.592 -0.360) 6.155 7.523 ( -1.571 -4.687 -9.178) 10.425 7.770 ( 0.380 -0.421 3.997) 4.037 7.882 ( -0.848 5.526 5.965) 8.175 7.999 ( -5.434 1.047 5.364) 7.707 8.078 ( -3.271 -1.673 4.005) 5.435 8.363 ( 0.049 6.473 1.804) 6.720 8.410 ( 2.952 -1.060 -5.420) 6.262 8.718 ( -3.475 -5.157 2.473) 6.692 8.753 ( -1.439 9.118 2.214) 9.493 8.991 ( 1.468 4.720 -0.709) 4.994 9.216 ( -3.418 8.423 -4.327) 10.067 9.358 ( -1.016 1.599 -6.683) 6.946 9.519 ( -6.456 9.496 -3.130) 11.902 9.712 ( -0.896 8.438 1.897) 8.695 9.818 ( -1.546 2.562 0.429) 3.022 9.960 ( 0.513 3.083 1.905) 3.660 10.156 ( -2.480 3.443 -2.898) 5.139 10.308 ( 2.766 0.847 -1.290) 3.168 10.448 ( -0.928 2.473 -0.093) 2.643 10.497 ( 0.853 0.736 3.974) 4.130 11.074 ( 2.642 2.820 0.404) 3.886 11.180 ( 1.255 1.239 1.922) 2.608 11.268 ( -1.015 0.750 3.789) 3.994 11.560 ( -2.365 3.990 -4.559) 6.504 11.645 ( 0.261 -6.306 0.931) 6.380 11.749 ( 3.098 -2.996 -6.537) 7.830 11.911 ( 3.444 1.402 6.266) 7.287 11.986 ( -0.280 -7.806 -3.708) 8.646 12.177 ( 5.136 -2.424 3.840) 6.855 12.292 ( 1.217 -0.034 1.337) 1.808 12.660 ( 2.200 2.431 2.341) 4.029 12.820 ( 10.890 -1.831 -2.473) 11.317 13.820 ( -0.981 -1.773 -3.209) 3.796 14.040 ( -4.969 -12.042 -0.533) 13.038 14.515 ( 5.798 5.679 -0.562) 8.135 14.739 ( 6.957 -2.482 -0.745) 7.423 14.877 ( -8.518 -0.542 3.868) 9.371 15.122 ( -7.151 1.169 -0.633) 7.274 15.457 ( 3.509 6.158 7.434) 10.271 15.821 ( -6.888 -7.626 6.138) 11.970 16.301 ( 4.951 5.805 1.392) 7.755 16.579 ( 2.405 15.102 -0.293) 15.295 17.581 ( -2.650 -8.568 1.193) 9.048 18.220 ( -1.022 8.194 -10.885) 13.663 18.597 ( -12.258 5.802 1.822) 13.684 19.374 ( -1.311 -26.844 -5.226) 27.379 20.717 ( 5.246 16.400 6.585) 18.435 21.429 ( 7.974 -3.955 -2.087) 9.142 21.761 ( -1.051 -0.937 0.713) 1.578 21.844 ( 3.636 -4.753 -1.348) 6.135 22.240 ( -0.653 2.799 -0.201) 2.881 22.361 ( 2.514 -2.492 -1.801) 3.972 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 1.120 5.144 3.963) 6.589 1.135 ( 1.657 -10.119 0.468) 10.265 1.853 ( -7.190 12.711 0.639) 14.618 1.947 ( 7.902 7.399 2.357) 11.079 2.173 ( -6.146 -10.062 -2.122) 11.980 2.183 ( 8.369 -8.160 -1.748) 11.818 2.580 ( -2.945 9.071 -2.133) 9.772 2.770 ( -1.436 -7.770 -7.885) 11.163 3.053 ( 1.627 3.359 -1.752) 4.123 3.056 ( -1.919 3.477 -1.100) 4.121 3.225 ( -3.787 5.067 5.425) 8.333 3.270 ( -3.948 2.118 5.227) 6.885 3.503 ( 1.768 7.927 4.033) 9.068 3.669 ( 3.017 -7.022 0.050) 7.642 3.763 ( 1.844 1.612 -0.084) 2.450 3.790 ( 1.148 -1.104 2.339) 2.830 3.981 ( 7.735 8.294 -0.218) 11.343 3.998 ( -2.794 5.061 -1.299) 5.925 4.184 ( -2.973 1.102 1.460) 3.491 4.344 ( 2.198 -12.042 -3.099) 12.627 4.438 ( -5.998 10.751 6.227) 13.796 4.613 ( -1.264 7.629 0.272) 7.738 4.661 ( -1.743 -6.092 6.252) 8.902 4.825 ( -5.332 -6.595 -5.633) 10.181 5.035 ( 5.995 5.035 -12.724) 14.939 5.064 ( 1.419 1.264 -6.584) 6.852 5.417 ( 5.439 -2.194 -3.925) 7.057 5.482 ( 7.349 -8.230 -8.135) 13.708 5.648 ( 1.243 -0.637 0.911) 1.668 5.736 ( 1.034 -8.220 -1.351) 8.394 5.784 ( -4.012 2.076 -1.847) 4.881 5.827 ( 0.135 -0.465 -4.057) 4.085 5.998 ( -9.724 -4.009 11.242) 15.395 6.054 ( -6.141 -5.695 2.404) 8.713 6.344 ( 2.833 0.941 6.630) 7.270 6.401 ( 0.437 -3.629 7.410) 8.263 6.655 ( -3.132 5.784 -0.328) 6.586 6.728 ( -5.265 -0.243 3.322) 6.230 6.808 ( 4.090 3.265 0.410) 5.249 6.929 ( 3.415 -6.532 10.696) 12.990 7.295 ( 0.291 -0.486 -3.222) 3.272 7.350 ( 1.063 -2.422 -4.541) 5.255 7.403 ( 2.592 -0.384 -3.682) 4.520 7.444 ( 3.610 -2.087 -8.412) 9.389 7.691 ( 4.389 7.130 -0.175) 8.374 7.791 ( -0.143 -2.470 3.936) 4.649 7.964 ( -3.570 4.649 5.201) 7.837 8.009 ( -0.970 -1.306 5.490) 5.726 8.072 ( -1.042 7.139 3.812) 8.160 8.257 ( -0.496 -7.986 -6.181) 10.111 8.506 ( 0.080 3.230 -0.556) 3.278 8.569 ( -3.142 -2.741 -0.308) 4.181 8.907 ( 1.408 6.147 3.066) 7.012 9.028 ( 2.872 -5.480 3.940) 7.335 9.346 ( 2.491 4.349 -1.721) 5.299 9.366 ( 2.212 1.978 -3.597) 4.662 9.545 ( -4.166 8.296 -9.600) 13.354 9.695 ( -1.844 -5.673 -6.887) 9.111 9.929 ( -1.303 5.132 -0.211) 5.299 9.978 ( -3.165 0.372 -1.749) 3.635 10.238 ( 1.877 5.649 4.848) 7.677 10.332 ( 1.038 -2.671 3.510) 4.531 10.494 ( 1.205 1.822 -0.094) 2.187 10.516 ( 1.211 -0.740 -0.185) 1.431 11.188 ( 1.216 2.459 1.849) 3.308 11.209 ( -0.024 0.067 2.083) 2.085 11.339 ( -0.259 4.583 3.165) 5.575 11.483 ( -0.706 -8.173 -0.306) 8.209 11.575 ( -1.121 4.420 -7.309) 8.615 11.679 ( 0.831 -5.235 -8.243) 9.801 11.861 ( -0.632 1.082 -2.250) 2.576 11.931 ( 0.457 -4.357 -2.185) 4.895 12.268 ( -0.548 2.860 10.813) 11.198 12.322 ( 0.171 -1.926 8.764) 8.975 12.700 ( -2.920 3.578 -3.107) 5.566 12.791 ( -1.443 -5.257 -3.221) 6.332 13.767 ( 0.793 -0.981 -0.562) 1.381 13.813 ( -0.368 -5.290 -0.829) 5.367 14.738 ( 0.015 1.435 0.491) 1.517 14.743 ( -0.080 2.960 0.578) 3.017 14.862 ( -0.615 1.702 1.488) 2.343 14.954 ( 3.605 -5.538 0.289) 6.614 15.695 ( 3.115 3.089 7.619) 8.792 15.719 ( -0.965 -0.677 6.862) 6.963 16.490 ( -2.052 13.764 7.641) 15.876 16.797 ( -1.928 -9.982 11.815) 15.587 17.632 ( 2.044 22.924 -14.160) 27.022 18.159 ( 6.061 -19.139 -15.629) 25.442 18.605 ( -3.035 7.125 1.811) 7.953 18.789 ( -4.215 -13.409 -5.383) 15.051 21.143 ( 0.897 13.372 5.674) 14.553 21.371 ( 0.059 -8.180 -0.162) 8.182 21.732 ( -0.087 0.127 -0.274) 0.314 21.770 ( 0.551 -3.900 -0.938) 4.048 22.277 ( -0.046 1.495 -0.241) 1.515 22.308 ( -0.477 -1.826 -1.219) 2.246 ======================= Grid point 92 (50/90) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 22.564 3.858 3.144) 23.107 1.380 ( 21.350 -7.581 -0.089) 22.656 1.744 ( -4.032 10.589 0.497) 11.341 2.010 ( -4.326 -13.394 0.577) 14.088 2.181 ( 9.386 9.245 0.839) 13.201 2.320 ( 6.990 -1.102 -4.330) 8.296 2.541 ( -0.007 4.367 -0.282) 4.377 2.685 ( -2.082 -6.955 -8.030) 10.825 2.998 ( -2.789 7.593 -2.028) 8.339 3.069 ( 0.382 0.929 0.983) 1.406 3.144 ( -6.965 4.246 5.269) 9.711 3.179 ( -7.365 1.472 3.627) 8.340 3.486 ( -6.479 10.611 4.912) 13.368 3.663 ( -10.542 1.178 -0.343) 10.613 3.682 ( -6.399 -2.303 -0.932) 6.865 3.766 ( -6.206 -1.855 -0.400) 6.489 3.875 ( -6.840 0.056 1.345) 6.971 3.934 ( -14.284 -6.040 1.585) 15.589 4.147 ( -0.529 8.528 3.637) 9.286 4.348 ( -0.317 2.952 -0.314) 2.986 4.394 ( 0.819 -3.816 -1.410) 4.150 4.490 ( -9.237 8.546 -2.082) 12.755 4.542 ( -8.886 -7.181 -5.060) 12.496 4.691 ( -7.517 -7.615 0.784) 10.729 5.069 ( 2.156 2.717 0.716) 3.541 5.117 ( 6.206 0.156 -6.056) 8.672 5.508 ( 6.292 1.822 -4.847) 8.148 5.549 ( 0.936 0.534 -5.527) 5.631 5.647 ( 1.158 -0.122 -5.814) 5.930 5.748 ( 3.351 -4.894 -2.592) 6.473 5.793 ( 0.472 -2.294 -0.634) 2.426 5.846 ( 6.445 -7.005 -1.194) 9.594 6.001 ( 5.697 0.137 6.592) 8.714 6.037 ( 1.539 -2.720 6.318) 7.048 6.478 ( 2.275 -1.361 8.361) 8.772 6.491 ( 4.643 -3.601 10.309) 11.866 6.622 ( 3.479 5.548 -4.911) 8.185 6.715 ( 2.759 -1.942 -0.724) 3.451 6.928 ( 5.067 5.350 5.789) 9.371 7.055 ( 3.847 -6.877 6.611) 10.286 7.258 ( -2.555 0.094 -2.328) 3.458 7.312 ( -2.965 -2.106 -4.546) 5.822 7.412 ( 3.755 2.748 -7.855) 9.129 7.483 ( 4.230 -4.830 -5.496) 8.451 7.740 ( 0.095 0.192 3.899) 3.905 7.763 ( -4.769 -1.239 3.279) 5.919 7.954 ( -1.212 5.630 4.505) 7.311 8.006 ( -1.738 0.369 6.043) 6.299 8.102 ( 0.980 4.720 0.946) 4.913 8.216 ( 0.437 -4.400 -7.259) 8.500 8.503 ( 0.262 1.865 0.026) 1.884 8.544 ( 1.783 -1.899 -0.974) 2.782 8.985 ( 3.193 6.626 6.775) 10.000 9.115 ( 2.121 -5.206 4.781) 7.380 9.350 ( -0.352 8.470 -7.201) 11.123 9.422 ( 5.446 1.908 -5.399) 7.902 9.485 ( 4.813 3.526 -3.411) 6.872 9.593 ( -2.379 -6.258 -10.148) 12.157 9.929 ( 0.621 2.992 2.159) 3.741 9.953 ( 0.726 0.510 1.171) 1.470 10.274 ( -0.839 4.344 1.396) 4.639 10.322 ( -2.969 -0.594 0.593) 3.085 10.535 ( 3.420 3.246 0.329) 4.727 10.575 ( 4.106 -0.464 1.676) 4.459 11.192 ( -2.596 1.700 2.026) 3.706 11.198 ( -2.435 0.999 1.622) 3.092 11.362 ( 0.737 2.148 4.232) 4.803 11.459 ( -0.712 -5.815 -1.648) 6.086 11.522 ( -0.461 4.187 -5.835) 7.196 11.649 ( 0.438 -7.153 -6.297) 9.539 11.820 ( -1.857 1.762 -2.850) 3.831 11.888 ( -2.710 -3.980 -4.092) 6.320 12.292 ( -4.349 3.409 11.917) 13.136 12.350 ( -3.618 -1.911 9.365) 10.220 12.598 ( -4.795 4.260 -3.452) 7.284 12.699 ( -5.216 -5.305 -3.706) 8.312 13.811 ( 3.910 -3.271 -0.524) 5.125 13.828 ( 2.350 -4.561 -0.691) 5.177 14.574 ( -10.676 3.198 -0.275) 11.148 14.643 ( -10.778 -3.643 -0.339) 11.382 15.000 ( 11.100 7.721 0.830) 13.547 15.146 ( 11.252 -6.535 -1.403) 13.088 15.731 ( -1.309 4.752 6.634) 8.264 15.808 ( 4.606 -0.074 9.480) 10.540 16.476 ( -5.034 15.364 7.860) 17.977 16.815 ( -4.795 -10.874 13.534) 18.011 17.568 ( 0.867 20.737 -13.954) 25.009 18.147 ( 2.945 -28.282 -19.822) 34.662 18.644 ( 5.456 6.628 2.583) 8.965 18.762 ( 5.616 -4.263 -3.357) 7.809 21.131 ( -5.939 9.273 5.741) 12.418 21.290 ( -8.431 -5.788 -1.028) 10.278 21.742 ( 1.260 0.386 -0.281) 1.348 21.776 ( 0.687 -2.875 -0.526) 3.002 22.279 ( 0.260 0.890 -0.158) 0.940 22.293 ( -0.085 -0.607 -0.923) 1.107 ======================= Grid point 93 (51/90) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 6.143 8.461 -2.145) 10.674 1.686 ( 20.557 3.613 0.451) 20.877 1.810 ( 12.933 -6.916 0.524) 14.676 1.962 ( 1.246 -13.913 0.056) 13.969 2.366 ( 9.808 6.532 0.306) 11.788 2.390 ( 4.080 4.823 -5.214) 8.191 2.539 ( -1.589 4.017 1.927) 4.730 2.616 ( -1.536 -3.806 -3.145) 5.171 2.948 ( -2.397 10.526 -1.052) 10.847 3.069 ( -3.420 3.619 6.156) 7.917 3.073 ( -5.535 0.339 1.206) 5.675 3.090 ( -1.432 0.972 4.907) 5.204 3.308 ( -12.800 10.946 -1.537) 16.911 3.394 ( -13.102 4.046 3.131) 14.065 3.503 ( -12.986 -6.490 -1.520) 14.597 3.601 ( -8.070 -1.989 -2.785) 8.766 3.652 ( -12.102 -2.986 0.490) 12.475 3.820 ( -5.205 -10.056 1.126) 11.379 4.103 ( -4.886 4.370 3.685) 7.520 4.245 ( -11.727 -4.984 1.696) 12.855 4.301 ( -7.394 2.994 -4.611) 9.214 4.413 ( -0.317 -0.282 -6.370) 6.384 4.470 ( 0.786 0.570 -2.136) 2.346 4.559 ( -0.964 -5.330 1.936) 5.752 5.132 ( 1.570 4.483 1.718) 5.051 5.200 ( 4.567 -2.411 3.447) 6.209 5.492 ( -2.331 5.068 -3.618) 6.649 5.530 ( 0.049 0.038 -8.837) 8.837 5.691 ( 6.648 0.305 -5.762) 8.803 5.743 ( 1.501 -3.579 0.541) 3.919 5.881 ( 4.157 0.373 2.745) 4.995 5.922 ( 0.437 -2.716 3.578) 4.513 6.166 ( 10.181 1.290 2.546) 10.574 6.221 ( 10.566 -3.272 1.547) 11.168 6.561 ( 2.951 -1.401 3.382) 4.702 6.574 ( 1.999 -2.686 4.387) 5.519 6.741 ( 5.895 2.737 4.860) 8.116 6.784 ( 3.980 -0.523 0.477) 4.042 7.032 ( 3.068 2.600 2.480) 4.724 7.112 ( -0.727 -5.101 0.749) 5.207 7.204 ( -2.125 -1.571 -0.370) 2.668 7.220 ( -1.905 -2.332 -2.195) 3.726 7.423 ( 0.896 1.614 -6.735) 6.983 7.480 ( -2.539 -4.346 -6.614) 8.311 7.709 ( -0.355 0.899 1.391) 1.694 7.761 ( -0.381 -4.247 4.370) 6.105 7.950 ( 0.453 4.643 -5.251) 7.024 8.008 ( -1.158 -0.961 -1.911) 2.433 8.127 ( 1.435 5.205 6.539) 8.480 8.212 ( 1.758 -2.811 1.497) 3.638 8.524 ( 0.542 2.742 1.089) 3.000 8.580 ( 0.961 -2.398 0.872) 2.727 9.042 ( -1.571 6.012 -0.717) 6.255 9.109 ( -1.173 0.489 -2.865) 3.134 9.388 ( 5.674 3.095 4.127) 7.668 9.455 ( 3.380 -2.295 -4.665) 6.201 9.578 ( 5.698 2.657 -6.136) 8.785 9.601 ( 8.197 0.517 -4.348) 9.293 9.968 ( 1.142 1.957 3.983) 4.582 9.992 ( 1.283 -0.310 2.823) 3.117 10.236 ( -2.566 2.219 -0.795) 3.484 10.256 ( -3.711 0.156 0.230) 3.722 10.609 ( 3.830 5.148 -0.200) 6.420 10.657 ( 3.787 0.630 0.397) 3.860 11.121 ( -5.088 1.964 -0.015) 5.454 11.138 ( -4.515 0.162 0.341) 4.530 11.422 ( 2.441 0.955 5.638) 6.218 11.461 ( 1.837 -3.356 -0.406) 3.848 11.485 ( -0.354 3.040 -3.809) 4.886 11.608 ( -2.006 -6.742 -2.961) 7.632 11.780 ( -0.169 -0.641 -3.540) 3.602 11.809 ( -2.535 -2.526 -4.071) 5.420 12.244 ( -7.775 2.804 9.014) 12.230 12.286 ( -7.482 -0.943 5.243) 9.185 12.522 ( -2.490 3.340 -0.086) 4.167 12.596 ( -3.952 -3.306 -0.893) 5.230 13.862 ( 2.665 -1.256 -1.068) 3.134 13.911 ( 5.784 -6.089 1.338) 8.504 14.381 ( -9.602 1.596 -0.344) 9.739 14.439 ( -10.589 -4.497 0.100) 11.505 15.160 ( 6.327 5.367 -3.112) 8.861 15.273 ( 4.650 -5.426 -4.276) 8.327 15.781 ( 3.146 11.881 4.256) 13.006 15.989 ( 8.724 -3.011 7.970) 12.194 16.379 ( -9.807 18.694 5.062) 21.709 16.766 ( -8.799 -12.062 11.549) 18.875 17.528 ( 2.328 14.190 -8.459) 16.684 18.051 ( 0.828 -30.132 -18.458) 35.346 18.812 ( 10.284 8.637 2.896) 13.738 18.941 ( 12.891 -3.296 0.975) 13.341 21.007 ( -9.929 4.701 3.003) 11.388 21.077 ( -12.694 -1.876 -1.500) 12.919 21.769 ( 1.672 0.411 -0.124) 1.726 21.791 ( 1.037 -1.512 -0.171) 1.841 22.280 ( 0.157 1.430 -0.090) 1.441 22.300 ( 0.697 -0.529 0.118) 0.883 ======================= Grid point 94 (52/90) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 6.070 5.810 0.029) 8.403 1.933 ( 6.888 1.642 -2.915) 7.658 1.941 ( 3.923 -6.419 -0.528) 7.542 2.051 ( 3.936 -7.293 -1.265) 8.384 2.379 ( -2.521 10.385 -0.465) 10.697 2.497 ( 0.972 3.436 -2.002) 4.094 2.548 ( 2.477 3.706 5.304) 6.929 2.614 ( 1.286 -4.372 1.377) 4.761 2.901 ( -0.314 8.711 2.119) 8.971 2.992 ( -1.414 8.436 -2.967) 9.053 3.008 ( -4.680 3.255 4.630) 7.344 3.076 ( -2.811 4.100 -1.625) 5.230 3.191 ( -8.624 -6.096 1.744) 10.704 3.218 ( 1.822 -4.051 -2.417) 5.056 3.373 ( -2.585 5.824 3.022) 7.052 3.395 ( -10.508 7.305 -1.774) 12.920 3.533 ( -0.928 -9.554 -0.276) 9.603 3.712 ( -4.818 -16.714 -1.449) 17.455 4.054 ( -2.700 -0.667 2.644) 3.838 4.090 ( -5.171 -3.202 2.150) 6.451 4.200 ( -0.322 2.457 -3.753) 4.497 4.275 ( -4.712 -4.226 -3.803) 7.384 4.532 ( 2.204 6.047 0.728) 6.477 4.612 ( 3.249 -1.589 -0.637) 3.672 5.160 ( 0.842 6.726 4.132) 7.938 5.286 ( 0.599 -5.373 4.821) 7.244 5.433 ( -1.464 3.019 -5.340) 6.306 5.467 ( 0.886 -0.464 -7.051) 7.122 5.792 ( 5.748 1.224 -1.990) 6.204 5.799 ( 2.998 0.753 -1.379) 3.385 5.910 ( -4.015 1.497 4.011) 5.870 5.953 ( 1.574 -2.578 4.640) 5.536 6.329 ( 4.413 2.078 -0.751) 4.935 6.373 ( 6.900 -0.097 0.587) 6.925 6.608 ( -2.105 -1.474 4.945) 5.573 6.638 ( 1.275 -2.252 5.458) 6.041 6.791 ( -0.144 1.297 0.552) 1.417 6.862 ( 1.190 -3.862 -1.756) 4.406 7.039 ( -1.588 -1.656 1.710) 2.862 7.090 ( -1.503 -5.312 0.726) 5.568 7.199 ( 4.332 1.694 1.589) 4.915 7.268 ( 2.759 -4.243 2.438) 5.618 7.354 ( -2.670 -0.233 -6.998) 7.494 7.361 ( -3.158 -0.646 -6.251) 7.033 7.730 ( -0.239 1.400 0.780) 1.620 7.773 ( -2.698 -2.598 1.931) 4.214 7.907 ( 1.451 1.263 -9.098) 9.299 7.938 ( -0.876 -1.290 -10.365) 10.481 8.236 ( 3.010 3.902 10.540) 11.636 8.295 ( 3.423 -1.684 8.126) 8.977 8.508 ( -2.070 3.236 -1.273) 4.047 8.570 ( -2.420 -2.253 0.430) 3.335 8.970 ( -1.791 5.904 -5.617) 8.344 9.061 ( -1.184 -2.402 -5.597) 6.205 9.524 ( 4.897 4.608 5.321) 8.574 9.569 ( 6.494 0.293 6.318) 9.065 9.640 ( 4.752 4.491 -7.155) 9.693 9.695 ( 4.663 -0.892 -4.814) 6.762 9.987 ( -2.131 0.087 3.174) 3.824 9.997 ( -2.944 -1.079 2.188) 3.824 10.210 ( 0.339 2.262 1.302) 2.632 10.225 ( 0.172 1.129 1.753) 2.092 10.647 ( 0.505 5.751 -1.920) 6.084 10.696 ( 0.478 1.013 -2.238) 2.502 11.045 ( -1.999 1.516 -0.525) 2.563 11.063 ( -2.970 -0.152 -0.117) 2.977 11.439 ( -1.941 4.798 -0.108) 5.177 11.506 ( 2.289 -2.111 -1.302) 3.375 11.532 ( 3.328 -3.033 3.993) 6.018 11.571 ( 1.169 -5.324 1.082) 5.557 11.742 ( -1.390 -0.098 -2.461) 2.828 11.786 ( 1.792 -3.990 -3.640) 5.691 12.125 ( -8.372 4.465 4.261) 10.401 12.203 ( -3.480 -2.756 4.012) 5.983 12.488 ( -1.268 3.143 -0.104) 3.390 12.539 ( -2.349 -1.446 0.199) 2.766 13.913 ( 2.754 4.341 2.091) 5.550 14.032 ( 4.962 -7.389 2.710) 9.304 14.234 ( -5.263 -1.332 -1.078) 5.535 14.289 ( -5.405 -7.205 0.921) 9.054 15.218 ( 3.301 3.398 -3.004) 5.609 15.306 ( 2.263 -4.398 -2.071) 5.362 15.816 ( -1.883 16.208 -7.022) 17.764 16.124 ( -0.905 -9.291 -8.140) 12.386 16.251 ( -3.230 24.163 13.521) 27.877 16.658 ( -8.022 -12.379 9.743) 17.678 17.544 ( 2.907 10.575 -3.760) 11.594 18.012 ( 5.145 -28.328 -12.116) 31.237 19.010 ( 7.249 9.527 5.822) 13.312 19.164 ( 7.809 -5.068 3.169) 9.834 20.843 ( -6.361 3.023 -1.517) 7.205 20.872 ( -7.723 0.176 -1.132) 7.807 21.794 ( 0.858 0.251 0.001) 0.894 21.804 ( 0.395 -0.650 -0.118) 0.769 22.286 ( 0.286 1.746 0.527) 1.846 22.310 ( 0.256 -0.626 0.204) 0.706 ======================= Grid point 95 (53/90) ======================= q-point: (-0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -4.681 8.048 -0.115) 9.311 1.959 ( -3.219 -2.670 -1.969) 4.622 1.975 ( -6.718 -1.570 -0.441) 6.913 1.994 ( -4.581 -6.027 -1.712) 7.761 2.347 ( -1.687 11.597 0.865) 11.751 2.514 ( 1.964 1.363 -1.201) 2.676 2.611 ( 2.353 1.875 3.813) 4.857 2.654 ( 3.992 -5.852 3.622) 7.956 2.915 ( -1.496 7.037 2.085) 7.490 2.954 ( -1.065 14.095 -5.762) 15.264 3.023 ( 1.750 4.954 3.326) 6.218 3.086 ( 2.976 -1.137 0.698) 3.262 3.102 ( 1.885 -4.620 -0.301) 4.999 3.248 ( 4.409 -4.662 -1.018) 6.497 3.289 ( 1.446 1.017 -0.321) 1.797 3.389 ( 5.138 2.752 -3.839) 6.979 3.599 ( 5.010 -8.066 4.567) 10.537 3.690 ( 2.541 -10.334 -1.435) 10.738 4.035 ( 0.250 -0.041 0.907) 0.942 4.069 ( 0.842 -1.815 2.340) 3.079 4.235 ( 5.147 0.608 -2.202) 5.631 4.284 ( 7.905 -2.910 -1.979) 8.653 4.541 ( -1.251 7.285 0.120) 7.392 4.647 ( 1.490 -2.658 -0.517) 3.091 5.213 ( 0.167 2.782 4.971) 5.699 5.250 ( -4.581 -0.993 0.257) 4.694 5.394 ( 1.021 5.145 -5.100) 7.316 5.489 ( 3.502 -3.558 -5.211) 7.216 5.790 ( -3.248 4.513 0.325) 5.570 5.849 ( -1.283 -1.512 1.240) 2.338 5.869 ( 0.891 3.591 1.294) 3.919 5.992 ( 0.173 -6.422 2.260) 6.810 6.336 ( -2.796 3.257 1.872) 4.683 6.445 ( 0.008 -4.333 -1.211) 4.499 6.548 ( -9.480 4.027 7.724) 12.874 6.631 ( -5.617 -2.581 4.312) 7.537 6.748 ( -6.515 -2.559 0.869) 7.053 6.808 ( 0.145 -4.940 0.793) 5.006 7.072 ( 2.387 -0.392 0.416) 2.455 7.120 ( 4.078 -5.152 -0.035) 6.571 7.187 ( -4.902 4.277 0.151) 6.507 7.274 ( -2.199 -2.838 -2.846) 4.581 7.352 ( 6.664 1.133 -5.819) 8.919 7.386 ( 4.677 -3.978 -3.131) 6.892 7.658 ( -5.314 -0.252 -3.256) 6.238 7.667 ( -5.161 -0.904 -4.094) 6.650 7.901 ( 1.849 0.994 -4.055) 4.567 7.939 ( 2.856 -2.417 0.362) 3.759 8.295 ( -2.708 5.289 5.607) 8.170 8.382 ( 0.057 -2.652 5.830) 6.405 8.462 ( -1.577 4.071 -1.413) 4.589 8.540 ( 1.381 -3.169 -0.766) 3.541 8.928 ( -0.549 5.736 -2.144) 6.148 9.025 ( 0.374 -3.383 -3.973) 5.232 9.571 ( -0.990 6.100 -5.158) 8.049 9.621 ( 0.023 0.778 -10.079) 10.109 9.698 ( 1.217 5.246 6.935) 8.780 9.780 ( 3.708 -1.336 10.610) 11.318 9.918 ( -5.618 0.311 1.105) 5.734 9.949 ( -2.603 -1.810 1.099) 3.355 10.244 ( 1.648 2.442 1.072) 3.135 10.261 ( 1.669 1.099 1.899) 2.757 10.607 ( -2.842 4.666 -2.771) 6.126 10.643 ( -3.833 1.353 -3.897) 5.631 11.041 ( 1.284 1.692 -0.329) 2.150 11.063 ( 3.086 -0.154 -0.066) 3.091 11.392 ( -3.206 3.280 0.275) 4.595 11.490 ( -1.102 -5.530 -0.899) 5.709 11.610 ( 2.350 0.057 3.949) 4.596 11.660 ( 4.513 -2.364 2.568) 5.706 11.744 ( 2.948 -1.007 -2.452) 3.965 11.806 ( 3.352 -5.502 -4.773) 8.018 12.039 ( -2.861 8.882 4.134) 10.206 12.199 ( -0.329 -6.457 3.589) 7.395 12.494 ( 2.851 2.931 -0.108) 4.090 12.528 ( 1.965 -0.275 0.099) 1.986 13.956 ( -1.907 3.180 3.980) 5.440 14.022 ( -5.908 -4.111 1.652) 7.385 14.252 ( 5.974 -2.641 -1.227) 6.646 14.307 ( 8.089 -7.599 1.513) 11.201 15.269 ( 2.867 2.740 0.467) 3.993 15.342 ( 0.153 -3.107 2.941) 4.281 15.612 ( -10.454 16.205 -12.442) 22.950 15.913 ( -11.205 -8.976 -13.245) 19.534 16.349 ( 2.142 15.400 10.474) 18.747 16.644 ( -0.417 -6.186 9.484) 11.331 17.580 ( 3.143 12.677 -3.031) 13.408 18.072 ( 7.556 -27.758 -10.271) 30.547 19.096 ( -3.527 5.991 8.430) 10.926 19.199 ( -5.899 -2.643 3.260) 7.240 20.789 ( 1.690 4.644 -2.565) 5.567 20.858 ( 8.200 -1.631 -1.781) 8.548 21.795 ( -0.740 0.124 0.073) 0.754 21.801 ( -0.632 -0.387 -0.213) 0.771 22.294 ( 0.133 1.325 0.769) 1.538 22.311 ( -0.194 -0.361 0.152) 0.437 ======================= Grid point 96 (54/90) ======================= q-point: (-0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -20.619 6.990 -1.745) 21.841 1.727 ( -17.912 -2.557 -1.649) 18.169 1.759 ( -4.947 4.117 0.770) 6.482 1.968 ( 0.218 -12.836 -0.159) 12.839 2.253 ( -8.620 13.037 -1.634) 15.714 2.479 ( -4.141 -5.825 -3.832) 8.109 2.668 ( -0.976 3.445 5.953) 6.947 2.776 ( 3.744 -7.739 2.861) 9.061 2.951 ( 6.209 8.548 -1.928) 10.739 3.008 ( 6.320 6.218 -2.488) 9.209 3.037 ( 2.248 7.731 0.663) 8.078 3.078 ( 3.078 -1.583 4.568) 5.731 3.293 ( 7.481 5.544 -0.281) 9.315 3.377 ( 13.789 6.841 1.004) 15.425 3.496 ( 13.885 -8.314 0.880) 16.208 3.510 ( 11.830 -0.009 -1.466) 11.921 3.711 ( 4.776 -5.934 -0.298) 7.623 3.745 ( 3.776 -7.175 0.956) 8.164 4.080 ( 3.563 3.439 1.486) 5.170 4.155 ( 7.510 -2.725 -0.270) 7.994 4.354 ( 8.571 3.549 -1.925) 9.474 4.466 ( 11.428 -4.649 -2.355) 12.561 4.510 ( -2.011 8.235 2.373) 8.803 4.683 ( 2.612 -6.619 1.586) 7.291 5.130 ( -5.546 3.378 -1.382) 6.639 5.206 ( -2.264 -2.799 -4.250) 5.569 5.411 ( 1.642 4.576 -2.319) 5.387 5.496 ( 1.755 -3.714 -7.314) 8.389 5.711 ( -4.919 7.285 0.708) 8.819 5.843 ( -1.292 -1.108 1.064) 2.007 5.877 ( -1.800 0.046 2.354) 2.964 5.981 ( -1.747 -7.927 -1.217) 8.208 6.273 ( -7.025 1.704 6.621) 9.803 6.342 ( -14.471 -4.508 7.561) 16.938 6.417 ( -2.602 -1.093 2.135) 3.539 6.473 ( -10.391 -5.502 2.307) 11.982 6.737 ( 0.777 3.365 3.523) 4.934 6.785 ( -5.292 -0.434 2.108) 5.713 7.019 ( -8.276 1.654 0.653) 8.465 7.081 ( -7.251 -2.924 -1.703) 8.001 7.218 ( 5.162 -1.336 -1.049) 5.435 7.259 ( 3.751 -2.913 -4.548) 6.576 7.378 ( -0.381 -0.784 -4.473) 4.557 7.401 ( 3.026 -0.585 -5.772) 6.543 7.585 ( 0.583 2.438 -5.569) 6.107 7.654 ( 4.618 -3.426 -0.750) 5.799 7.919 ( 1.060 2.658 1.030) 3.041 7.987 ( 0.384 -3.497 4.279) 5.540 8.230 ( -5.634 6.560 1.573) 8.790 8.361 ( -2.677 -5.240 -0.119) 5.886 8.461 ( 0.916 6.504 1.775) 6.804 8.586 ( 1.567 -5.654 2.112) 6.236 8.917 ( -0.464 6.081 0.443) 6.115 9.011 ( -0.424 -3.057 -1.803) 3.575 9.469 ( -4.602 5.080 -8.130) 10.634 9.512 ( -4.402 0.723 -9.103) 10.137 9.733 ( -2.887 4.945 6.544) 8.695 9.793 ( -4.377 -1.443 -0.210) 4.613 9.924 ( 1.824 2.901 5.626) 6.587 9.951 ( 2.272 0.421 6.016) 6.445 10.258 ( -0.592 1.989 -0.904) 2.263 10.283 ( 0.193 -0.198 -2.211) 2.228 10.534 ( -3.040 2.428 -1.448) 4.151 10.546 ( -3.602 1.514 -1.959) 4.371 11.084 ( 3.266 3.017 -0.579) 4.484 11.131 ( 3.513 -1.183 0.049) 3.707 11.342 ( -2.287 4.760 1.446) 5.476 11.478 ( -0.246 -7.668 0.969) 7.733 11.652 ( 1.542 2.583 -0.972) 3.161 11.742 ( 0.161 -3.240 -5.321) 6.232 11.775 ( 5.688 0.318 1.977) 6.030 11.855 ( 3.476 -5.238 -3.633) 7.260 12.079 ( 3.297 6.830 5.927) 9.625 12.215 ( 0.016 -5.625 3.854) 6.819 12.595 ( 6.447 2.062 2.651) 7.269 12.625 ( 7.715 -0.850 0.443) 7.774 13.880 ( -5.615 0.002 -0.349) 5.626 13.931 ( -5.080 -5.511 1.403) 7.625 14.411 ( 10.452 2.390 0.242) 10.725 14.498 ( 10.000 -5.972 1.370) 11.728 15.203 ( -13.927 6.804 -3.274) 15.843 15.270 ( -5.934 -0.577 0.060) 5.962 15.501 ( 2.927 6.757 -1.058) 7.439 15.681 ( -4.378 -10.633 -5.089) 12.574 16.429 ( 0.724 14.502 7.691) 16.431 16.706 ( 0.714 -5.183 8.070) 9.617 17.620 ( 3.940 17.164 -5.688) 18.507 18.132 ( 5.944 -24.090 -12.527) 27.795 18.960 ( -13.759 5.011 3.637) 15.088 19.071 ( -9.068 -6.221 4.331) 11.819 20.881 ( 8.393 11.198 -0.734) 14.014 21.075 ( 14.005 -7.572 -0.575) 15.931 21.773 ( -1.472 0.039 0.078) 1.475 21.781 ( -1.086 -0.851 -0.445) 1.450 22.294 ( -0.514 1.158 0.251) 1.291 22.312 ( 0.183 -0.668 0.341) 0.772 ======================= Grid point 97 (55/90) ======================= q-point: (-0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -22.274 4.997 1.136) 22.855 1.329 ( -19.803 -8.388 -0.895) 21.525 1.794 ( 4.775 9.278 2.564) 10.745 1.991 ( -1.593 -3.977 -0.154) 4.287 2.089 ( -2.519 5.753 -2.911) 6.923 2.333 ( -8.223 -10.798 -3.629) 14.049 2.643 ( -3.228 8.344 1.254) 9.035 2.813 ( 0.829 -7.035 -4.038) 8.154 3.027 ( 2.987 6.805 -2.653) 7.891 3.065 ( 1.129 4.093 1.337) 4.451 3.170 ( 5.914 2.868 5.829) 8.785 3.214 ( 5.642 1.275 6.364) 8.600 3.406 ( 5.781 8.699 1.529) 10.556 3.578 ( 7.935 -7.109 -3.359) 11.170 3.700 ( 4.737 3.457 -0.556) 5.891 3.730 ( 7.772 3.707 0.823) 8.650 3.810 ( 8.100 -2.700 0.195) 8.540 3.888 ( 13.023 -2.745 -0.729) 13.329 4.161 ( 3.071 5.647 2.715) 6.978 4.291 ( 6.097 -4.417 -1.238) 7.629 4.482 ( 0.035 4.721 3.789) 6.054 4.510 ( 5.962 13.220 -0.757) 14.522 4.621 ( 4.190 -6.194 2.143) 7.779 4.785 ( 7.178 -12.465 1.616) 14.475 5.063 ( 0.921 3.841 -6.772) 7.839 5.127 ( -1.888 0.365 -9.996) 10.179 5.385 ( -0.458 0.679 -4.387) 4.462 5.478 ( 0.873 -6.719 -8.769) 11.081 5.643 ( -2.029 3.838 0.763) 4.408 5.790 ( -5.138 -7.086 0.448) 8.764 5.827 ( -3.154 2.882 2.248) 4.828 5.912 ( -4.247 -6.073 -4.063) 8.451 6.135 ( -11.170 -2.002 9.355) 14.707 6.185 ( -9.424 -5.371 6.907) 12.859 6.351 ( -4.569 1.080 1.397) 4.898 6.384 ( -2.442 -2.422 3.639) 5.007 6.687 ( -5.995 6.984 9.099) 12.943 6.784 ( 1.718 -0.127 2.778) 3.269 6.880 ( -9.623 -2.974 -1.459) 10.178 6.881 ( -6.699 -3.898 1.620) 7.918 7.289 ( 2.678 -0.986 -3.490) 4.508 7.330 ( 5.946 -2.275 -3.190) 7.121 7.363 ( 0.911 0.697 -3.539) 3.720 7.432 ( 3.588 -3.075 -6.223) 7.814 7.605 ( 4.895 8.584 -4.268) 10.764 7.740 ( 3.636 -3.920 1.444) 5.539 7.959 ( 2.078 1.874 2.673) 3.869 7.998 ( -2.487 -1.326 5.815) 6.462 8.129 ( -6.374 7.795 3.135) 10.546 8.308 ( -1.910 -7.904 -3.297) 8.774 8.494 ( 0.952 5.687 1.931) 6.081 8.606 ( -1.233 -5.444 3.000) 6.338 8.903 ( -1.275 5.648 0.419) 5.805 8.993 ( -0.124 -3.087 -0.419) 3.118 9.358 ( -2.266 4.856 -4.625) 7.078 9.395 ( -2.670 0.996 -5.365) 6.075 9.666 ( -3.929 5.090 -4.897) 8.083 9.743 ( -1.303 -2.451 -1.671) 3.239 9.958 ( -0.977 7.267 1.882) 7.570 10.023 ( 0.018 1.271 3.426) 3.655 10.215 ( -2.022 2.481 -0.963) 3.342 10.276 ( 1.345 -3.278 1.799) 3.974 10.494 ( -0.722 1.779 -0.851) 2.100 10.511 ( -0.345 0.245 0.221) 0.477 11.141 ( 2.929 3.094 0.392) 4.278 11.182 ( 1.868 -0.936 0.864) 2.261 11.330 ( -0.639 5.618 2.533) 6.195 11.485 ( 0.108 -8.614 0.852) 8.656 11.638 ( -0.991 3.777 -5.655) 6.872 11.711 ( 0.937 -2.294 -7.481) 7.881 11.864 ( 2.136 -2.207 -1.850) 3.585 11.895 ( 3.450 -2.913 -0.083) 4.515 12.187 ( 3.109 3.153 8.113) 9.242 12.258 ( 1.373 -2.976 6.241) 7.049 12.707 ( 3.249 2.331 0.862) 4.090 12.762 ( 5.757 -3.106 -0.570) 6.567 13.793 ( -3.014 0.167 -1.027) 3.189 13.853 ( -3.582 -6.024 0.081) 7.009 14.594 ( 9.027 3.072 -0.057) 9.536 14.665 ( 8.279 -3.890 -0.007) 9.147 14.956 ( -10.543 6.570 -0.117) 12.423 15.083 ( -10.406 -4.863 -2.304) 11.715 15.589 ( 4.387 4.924 4.665) 8.078 15.679 ( 0.900 -5.172 5.434) 7.556 16.471 ( -0.629 13.722 6.781) 15.318 16.757 ( -0.502 -7.664 8.957) 11.799 17.648 ( 3.970 20.947 -10.201) 23.634 18.146 ( 4.814 -18.474 -13.973) 23.658 18.731 ( -11.273 7.404 1.483) 13.568 18.925 ( -7.890 -14.104 -0.726) 16.178 21.040 ( 7.094 14.534 3.064) 16.460 21.291 ( 8.672 -9.672 -0.102) 12.990 21.747 ( -1.305 -0.120 -0.049) 1.312 21.767 ( 0.088 -2.362 -0.791) 2.492 22.284 ( -0.534 1.615 -0.126) 1.705 22.316 ( 0.114 -1.774 -0.334) 1.808 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 3.187 0.000 21.824) 22.055 0.948 ( 0.726 0.000 21.449) 21.462 1.257 ( -2.458 0.000 -17.405) 17.578 1.364 ( 3.897 0.000 -10.609) 11.302 1.364 ( 2.659 0.000 2.955) 3.975 1.492 ( -10.824 0.000 -15.242) 18.694 1.978 ( -1.537 0.000 39.194) 39.224 2.373 ( 3.829 0.000 -6.763) 7.771 2.772 ( -7.487 0.000 4.261) 8.614 3.013 ( -6.546 0.000 6.074) 8.930 3.118 ( 2.540 0.000 -20.577) 20.733 3.183 ( 11.929 0.000 -3.414) 12.408 3.368 ( 5.914 0.000 5.381) 7.996 3.432 ( -12.287 0.000 2.289) 12.498 3.489 ( -5.395 0.000 0.100) 5.396 3.500 ( 6.769 0.000 -0.754) 6.811 3.537 ( 0.918 0.000 -3.585) 3.701 3.557 ( 2.789 0.000 -2.950) 4.059 4.296 ( 0.089 0.000 4.339) 4.340 4.382 ( -2.160 0.000 -4.353) 4.859 4.470 ( -3.314 0.000 2.805) 4.342 4.584 ( 0.517 0.000 -9.661) 9.674 4.903 ( -5.205 0.000 16.640) 17.435 5.205 ( 7.707 0.000 -13.184) 15.271 5.294 ( -3.051 0.000 3.720) 4.811 5.394 ( -1.776 0.000 -6.223) 6.472 5.637 ( 2.911 0.000 5.226) 5.982 5.743 ( -2.990 0.000 -3.874) 4.894 5.964 ( 10.299 0.000 -2.013) 10.494 6.019 ( 1.867 0.000 -6.810) 7.061 6.113 ( 1.349 0.000 7.277) 7.401 6.218 ( -0.882 0.000 -1.945) 2.135 6.445 ( -9.170 0.000 -1.056) 9.231 6.493 ( -6.985 0.000 -6.777) 9.732 6.723 ( 9.617 0.000 4.868) 10.779 6.762 ( -4.732 0.000 -0.391) 4.749 6.838 ( 5.654 0.000 7.990) 9.788 6.955 ( 0.106 0.000 -3.057) 3.059 6.993 ( 1.275 0.000 5.802) 5.940 7.076 ( -8.028 0.000 -1.029) 8.093 7.245 ( -14.108 0.000 -1.428) 14.180 7.287 ( 12.692 0.000 -7.196) 14.590 7.465 ( 4.599 0.000 9.790) 10.816 7.540 ( -3.675 0.000 0.057) 3.675 7.541 ( -0.574 0.000 7.382) 7.404 7.731 ( 0.610 0.000 -12.446) 12.461 7.863 ( -4.155 0.000 2.174) 4.690 7.869 ( 0.418 0.000 -0.370) 0.559 7.993 ( -1.877 0.000 10.213) 10.384 8.056 ( 0.298 0.000 -1.152) 1.190 8.074 ( 6.670 0.000 -3.430) 7.500 8.142 ( -2.841 0.000 -5.233) 5.955 8.471 ( 2.582 0.000 2.650) 3.700 8.520 ( -0.958 0.000 -2.292) 2.484 8.920 ( -6.929 0.000 2.707) 7.439 8.991 ( 4.559 0.000 -4.329) 6.287 9.210 ( -2.747 0.000 10.004) 10.374 9.350 ( 2.827 0.000 -6.225) 6.837 9.812 ( -2.613 0.000 5.745) 6.311 9.967 ( 7.051 0.000 -9.377) 11.732 10.112 ( 3.990 0.000 1.722) 4.346 10.121 ( -3.128 0.000 0.019) 3.128 10.369 ( -3.691 0.000 5.743) 6.827 10.472 ( 0.872 0.000 -4.029) 4.123 10.926 ( -1.670 0.000 0.781) 1.843 10.949 ( 2.475 0.000 -2.062) 3.222 11.474 ( -4.677 0.000 5.076) 6.902 11.511 ( 3.985 0.000 -1.931) 4.428 11.543 ( -2.824 0.000 0.513) 2.870 11.673 ( 3.679 0.000 -9.988) 10.644 12.001 ( -0.894 0.000 1.527) 1.769 12.039 ( 1.817 0.000 -2.430) 3.034 12.271 ( 3.097 0.000 3.015) 4.322 12.331 ( -5.167 0.000 -3.142) 6.047 12.735 ( -0.179 0.000 8.928) 8.930 12.842 ( 4.884 0.000 -2.304) 5.400 14.019 ( 2.383 0.000 20.169) 20.309 14.341 ( -0.154 0.000 -11.212) 11.213 14.610 ( -14.266 0.000 0.142) 14.267 14.610 ( 6.479 0.000 0.112) 6.480 14.847 ( 12.746 0.000 -3.449) 13.205 14.868 ( -13.338 0.000 -8.848) 16.006 15.697 ( -7.540 0.000 18.768) 20.226 16.084 ( 12.719 0.000 -21.168) 24.696 16.775 ( 10.045 0.000 5.718) 11.558 16.783 ( -10.717 0.000 3.913) 11.409 17.139 ( -9.613 0.000 2.276) 9.879 17.226 ( 1.526 0.000 -6.220) 6.404 19.282 ( 11.392 0.000 12.189) 16.683 19.503 ( -13.560 0.000 -10.931) 17.417 21.467 ( -4.501 0.000 1.221) 4.663 21.492 ( 5.060 0.000 -1.317) 5.229 21.743 ( -6.998 0.000 0.112) 6.999 21.748 ( 17.363 0.000 -0.379) 17.367 22.091 ( 0.367 0.000 0.179) 0.408 22.092 ( -0.350 0.000 0.067) 0.356 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 1.783 0.000 14.856) 14.963 1.128 ( 3.177 0.000 -9.049) 9.590 1.300 ( 11.954 0.000 -8.208) 14.501 1.311 ( 14.784 0.000 3.912) 15.293 1.522 ( 13.636 0.000 -5.112) 14.563 1.582 ( 14.137 0.000 6.176) 15.427 2.205 ( 4.089 0.000 17.618) 18.087 2.407 ( 6.957 0.000 -13.912) 15.554 2.683 ( -7.291 0.000 19.312) 20.643 2.796 ( -17.450 0.000 6.421) 18.594 3.065 ( 6.224 0.000 -18.868) 19.868 3.073 ( -12.617 0.000 -4.463) 13.383 3.356 ( -8.263 0.000 2.177) 8.545 3.437 ( 5.190 0.000 -0.195) 5.193 3.539 ( 3.552 0.000 4.871) 6.029 3.625 ( 9.488 0.000 -0.076) 9.488 3.632 ( 10.430 0.000 -7.709) 12.970 3.678 ( 8.411 0.000 -1.342) 8.517 4.271 ( -6.450 0.000 -1.764) 6.687 4.301 ( -3.349 0.000 5.634) 6.554 4.417 ( -4.795 0.000 5.974) 7.660 4.479 ( -7.473 0.000 -5.727) 9.415 4.879 ( -6.853 0.000 14.600) 16.128 5.219 ( -9.156 0.000 10.254) 13.747 5.235 ( 5.123 0.000 -17.674) 18.402 5.314 ( -4.228 0.000 1.401) 4.454 5.578 ( -13.648 0.000 -4.411) 14.343 5.675 ( -4.542 0.000 -1.318) 4.729 5.840 ( -7.400 0.000 -11.537) 13.707 5.915 ( -9.264 0.000 -8.133) 12.327 6.057 ( -7.938 0.000 0.956) 7.995 6.177 ( 4.371 0.000 -0.011) 4.371 6.405 ( -3.523 0.000 2.570) 4.361 6.435 ( 0.523 0.000 10.466) 10.479 6.682 ( -3.715 0.000 -4.383) 5.745 6.825 ( -5.747 0.000 7.960) 9.818 6.853 ( -1.482 0.000 -0.571) 1.588 6.888 ( -1.056 0.000 -9.757) 9.814 7.080 ( 3.296 0.000 12.017) 12.461 7.091 ( 9.498 0.000 -2.576) 9.841 7.225 ( 8.009 0.000 6.335) 10.211 7.437 ( -0.629 0.000 -3.683) 3.736 7.585 ( 10.123 0.000 -4.522) 11.088 7.589 ( 1.732 0.000 13.410) 13.521 7.731 ( 11.819 0.000 -5.778) 13.156 7.786 ( 6.033 0.000 -2.829) 6.663 7.912 ( 12.948 0.000 -0.679) 12.966 7.937 ( 7.134 0.000 5.860) 9.232 8.069 ( 1.459 0.000 -8.122) 8.252 8.076 ( 2.819 0.000 9.535) 9.943 8.155 ( 4.666 0.000 -5.474) 7.193 8.179 ( 13.362 0.000 3.646) 13.850 8.486 ( -0.274 0.000 -5.739) 5.746 8.579 ( 7.965 0.000 0.919) 8.018 8.824 ( -5.910 0.000 5.351) 7.973 9.038 ( 2.087 0.000 -1.354) 2.488 9.200 ( -3.963 0.000 7.756) 8.710 9.372 ( 4.052 0.000 -6.969) 8.061 9.813 ( -0.010 0.000 3.977) 3.977 10.006 ( 4.177 0.000 -11.374) 12.117 10.062 ( -2.821 0.000 -0.550) 2.875 10.189 ( 2.928 0.000 -1.773) 3.423 10.342 ( -3.173 0.000 9.120) 9.657 10.454 ( -0.804 0.000 -2.588) 2.710 10.892 ( -1.938 0.000 0.001) 1.938 10.969 ( 0.889 0.000 -1.915) 2.111 11.389 ( -5.399 0.000 0.771) 5.454 11.523 ( -1.950 0.000 6.174) 6.475 11.551 ( 0.480 0.000 1.427) 1.506 11.687 ( 4.537 0.000 -11.238) 12.119 11.983 ( -1.626 0.000 0.597) 1.732 12.037 ( -0.560 0.000 -2.843) 2.898 12.207 ( -6.063 0.000 -0.477) 6.082 12.341 ( 1.339 0.000 5.213) 5.382 12.675 ( -9.681 0.000 1.720) 9.833 12.770 ( -8.187 0.000 -4.956) 9.570 14.149 ( -0.203 0.000 16.653) 16.654 14.209 ( -7.979 0.000 -20.605) 22.096 14.356 ( -11.211 0.000 -0.974) 11.253 14.407 ( -12.647 0.000 3.423) 13.102 14.944 ( 11.130 0.000 3.310) 11.612 15.148 ( 14.607 0.000 7.248) 16.307 15.680 ( -2.933 0.000 9.390) 9.838 16.135 ( 7.989 0.000 -22.146) 23.543 16.659 ( -4.809 0.000 0.006) 4.809 16.981 ( 0.025 0.000 -3.660) 3.660 17.156 ( 14.757 0.000 17.429) 22.838 17.332 ( 10.056 0.000 2.311) 10.318 19.246 ( -8.089 0.000 -10.311) 13.105 19.616 ( 16.309 0.000 14.048) 21.525 21.115 ( -30.831 0.000 -9.360) 32.220 21.451 ( -6.333 0.000 -1.517) 6.512 21.690 ( 2.563 0.000 -3.035) 3.973 21.854 ( -1.118 0.000 -1.364) 1.764 22.089 ( -0.837 0.000 0.095) 0.842 22.099 ( 0.038 0.000 0.120) 0.126 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 5.370 0.000 -20.811) 21.493 1.180 ( 1.438 0.000 16.207) 16.271 1.452 ( 3.759 0.000 1.212) 3.949 1.710 ( 12.217 0.000 -1.596) 12.321 1.799 ( 17.679 0.000 12.812) 21.833 1.882 ( 16.626 0.000 -3.750) 17.044 2.163 ( -10.641 0.000 -0.763) 10.668 2.491 ( 10.839 0.000 -14.239) 17.895 2.538 ( -8.945 0.000 0.604) 8.965 2.767 ( -2.454 0.000 3.565) 4.328 2.980 ( 5.421 0.000 23.192) 23.817 3.107 ( 5.665 0.000 -8.821) 10.484 3.223 ( -5.115 0.000 0.869) 5.188 3.502 ( -0.229 0.000 -0.113) 0.255 3.584 ( 0.743 0.000 -1.014) 1.257 3.685 ( -7.388 0.000 -1.681) 7.577 3.740 ( 5.793 0.000 -6.848) 8.970 3.815 ( 9.535 0.000 1.621) 9.672 4.215 ( 0.980 0.000 3.355) 3.496 4.218 ( -7.162 0.000 0.077) 7.163 4.269 ( -11.651 0.000 -2.598) 11.937 4.391 ( -2.621 0.000 9.430) 9.788 4.826 ( -8.354 0.000 8.457) 11.887 5.090 ( -12.355 0.000 11.804) 17.087 5.131 ( -10.274 0.000 -0.880) 10.311 5.259 ( -0.562 0.000 -16.610) 16.619 5.288 ( -11.554 0.000 2.409) 11.802 5.439 ( -3.608 0.000 -15.476) 15.891 5.734 ( -4.759 0.000 -7.901) 9.223 5.768 ( -2.478 0.000 -2.126) 3.265 5.986 ( 0.080 0.000 0.329) 0.338 6.283 ( 1.384 0.000 -0.477) 1.464 6.377 ( 5.604 0.000 -5.413) 7.791 6.431 ( -5.414 0.000 5.261) 7.549 6.592 ( -4.498 0.000 1.097) 4.630 6.725 ( -3.891 0.000 2.456) 4.602 6.851 ( 2.498 0.000 -6.600) 7.056 6.918 ( 1.076 0.000 11.581) 11.631 7.213 ( 4.056 0.000 6.702) 7.834 7.264 ( 9.140 0.000 -3.893) 9.934 7.413 ( 4.266 0.000 16.965) 17.493 7.416 ( 1.612 0.000 -0.985) 1.890 7.633 ( -4.184 0.000 10.772) 11.556 7.685 ( 5.639 0.000 -7.823) 9.644 7.817 ( 5.095 0.000 -9.486) 10.767 7.849 ( 3.325 0.000 -1.559) 3.672 8.010 ( -1.092 0.000 -12.288) 12.336 8.114 ( 2.818 0.000 -0.308) 2.835 8.198 ( 13.220 0.000 7.366) 15.133 8.202 ( 1.829 0.000 3.211) 3.696 8.253 ( 13.777 0.000 0.831) 13.802 8.444 ( 1.082 0.000 -8.473) 8.542 8.585 ( 19.204 0.000 13.154) 23.277 8.749 ( 11.258 0.000 -6.096) 12.802 8.775 ( -3.794 0.000 8.166) 9.004 9.055 ( 0.005 0.000 2.389) 2.389 9.169 ( -3.740 0.000 6.677) 7.653 9.403 ( 3.871 0.000 -9.357) 10.126 9.875 ( 4.488 0.000 3.461) 5.667 10.006 ( 2.564 0.000 -7.688) 8.105 10.022 ( -1.142 0.000 -0.428) 1.219 10.176 ( -2.220 0.000 -1.519) 2.690 10.368 ( -0.035 0.000 5.833) 5.833 10.411 ( -2.537 0.000 -1.211) 2.812 10.870 ( -0.226 0.000 0.154) 0.274 10.966 ( 0.214 0.000 -1.666) 1.680 11.315 ( -2.981 0.000 1.507) 3.341 11.533 ( -1.272 0.000 6.520) 6.643 11.548 ( -1.557 0.000 1.047) 1.877 11.695 ( 3.587 0.000 -11.488) 12.035 11.955 ( -6.345 0.000 -2.651) 6.877 11.955 ( -1.208 0.000 -0.896) 1.504 12.160 ( -0.143 0.000 3.942) 3.944 12.363 ( -3.825 0.000 4.238) 5.709 12.454 ( -10.388 0.000 -3.204) 10.871 12.563 ( -9.702 0.000 -4.886) 10.863 13.877 ( -12.675 0.000 -11.340) 17.007 14.122 ( -9.356 0.000 -6.802) 11.567 14.229 ( -3.083 0.000 10.792) 11.223 14.320 ( -0.025 0.000 -3.473) 3.473 15.169 ( 8.142 0.000 11.500) 14.090 15.396 ( 1.179 0.000 24.425) 24.453 15.764 ( 13.682 0.000 -10.909) 17.499 16.135 ( 5.617 0.000 -18.953) 19.767 16.561 ( -6.466 0.000 0.512) 6.486 16.891 ( -5.430 0.000 -5.486) 7.719 17.611 ( 15.832 0.000 11.620) 19.639 17.618 ( 18.513 0.000 22.183) 28.893 19.066 ( -5.478 0.000 -10.680) 12.003 19.996 ( 12.325 0.000 9.641) 15.648 20.394 ( -29.355 0.000 -23.172) 37.398 21.247 ( -14.149 0.000 -1.443) 14.223 21.753 ( 5.427 0.000 -2.452) 5.956 21.836 ( 0.049 0.000 1.262) 1.263 22.059 ( -2.493 0.000 1.052) 2.706 22.087 ( -1.327 0.000 -0.199) 1.342 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 11.950 0.000 -11.371) 16.495 1.208 ( -8.455 0.000 5.555) 10.117 1.478 ( -1.648 0.000 11.742) 11.857 1.791 ( 0.771 0.000 -10.102) 10.131 1.890 ( -7.900 0.000 5.722) 9.754 2.060 ( 8.884 0.000 -13.811) 16.421 2.249 ( 9.933 0.000 16.409) 19.181 2.419 ( 0.288 0.000 0.987) 1.028 2.676 ( -3.286 0.000 1.863) 3.778 2.785 ( 19.604 0.000 -4.846) 20.194 3.061 ( -5.975 0.000 -11.902) 13.317 3.214 ( -1.241 0.000 -9.575) 9.655 3.278 ( -8.007 0.000 21.293) 22.749 3.389 ( 7.414 0.000 6.820) 10.074 3.466 ( -11.183 0.000 4.901) 12.209 3.615 ( 2.804 0.000 -4.822) 5.578 3.841 ( 9.512 0.000 -3.771) 10.232 3.923 ( -2.189 0.000 3.130) 3.819 4.075 ( -5.343 0.000 -2.305) 5.819 4.101 ( -3.718 0.000 -3.048) 4.807 4.332 ( 9.930 0.000 2.730) 10.298 4.428 ( -0.133 0.000 12.031) 12.031 4.603 ( -16.430 0.000 2.011) 16.552 4.912 ( -9.417 0.000 -4.628) 10.493 5.008 ( -1.413 0.000 2.715) 3.061 5.112 ( 0.099 0.000 -24.118) 24.118 5.233 ( -2.346 0.000 14.736) 14.921 5.405 ( 2.249 0.000 -3.978) 4.570 5.638 ( -1.909 0.000 -5.035) 5.385 5.718 ( -0.226 0.000 -4.121) 4.127 6.008 ( 1.995 0.000 -2.076) 2.879 6.201 ( -2.413 0.000 -11.319) 11.574 6.378 ( -2.450 0.000 5.784) 6.282 6.500 ( 1.251 0.000 -2.173) 2.508 6.575 ( 6.167 0.000 1.797) 6.424 6.673 ( -4.253 0.000 1.760) 4.603 6.900 ( 4.258 0.000 2.341) 4.859 7.002 ( -0.587 0.000 11.951) 11.965 7.265 ( -0.557 0.000 -0.711) 0.903 7.330 ( 2.039 0.000 -3.858) 4.364 7.513 ( 6.896 0.000 1.230) 7.005 7.568 ( -0.826 0.000 11.403) 11.432 7.596 ( -4.979 0.000 17.622) 18.311 7.704 ( 1.701 0.000 -7.757) 7.941 7.788 ( -2.643 0.000 -12.128) 12.413 7.894 ( 3.058 0.000 -3.687) 4.790 7.964 ( 3.336 0.000 -2.601) 4.230 8.100 ( -1.380 0.000 -5.824) 5.985 8.238 ( -1.233 0.000 5.192) 5.336 8.356 ( 2.360 0.000 -4.590) 5.161 8.450 ( 5.914 0.000 3.119) 6.686 8.479 ( 5.151 0.000 1.122) 5.271 8.740 ( -4.907 0.000 7.692) 9.124 8.878 ( 7.905 0.000 -10.765) 13.356 8.937 ( 9.457 0.000 10.923) 14.448 9.082 ( 0.587 0.000 2.996) 3.053 9.156 ( -2.055 0.000 7.116) 7.407 9.379 ( 0.212 0.000 -11.109) 11.111 9.989 ( 3.185 0.000 4.543) 5.548 10.005 ( -1.251 0.000 0.879) 1.529 10.020 ( 1.478 0.000 0.047) 1.478 10.140 ( 1.527 0.000 -5.222) 5.441 10.363 ( -1.290 0.000 -0.258) 1.316 10.378 ( -1.453 0.000 1.520) 2.103 10.887 ( 1.274 0.000 1.389) 1.885 10.958 ( -0.190 0.000 -2.036) 2.045 11.314 ( 1.503 0.000 3.833) 4.117 11.499 ( -3.766 0.000 -3.032) 4.834 11.547 ( -1.228 0.000 5.759) 5.889 11.689 ( 3.056 0.000 -10.108) 10.560 11.840 ( -3.876 0.000 1.357) 4.107 11.925 ( -0.918 0.000 -3.538) 3.655 12.198 ( 0.977 0.000 2.270) 2.471 12.210 ( -6.551 0.000 -0.333) 6.560 12.384 ( -2.426 0.000 2.041) 3.171 12.405 ( -3.925 0.000 -2.989) 4.934 13.700 ( -1.257 0.000 -2.823) 3.090 13.886 ( -9.956 0.000 -8.886) 13.344 14.233 ( -2.101 0.000 6.573) 6.900 14.330 ( 3.982 0.000 -6.420) 7.554 15.357 ( 3.150 0.000 15.676) 15.990 15.519 ( -1.004 0.000 20.714) 20.738 15.950 ( 10.787 0.000 -17.495) 20.553 16.130 ( 5.914 0.000 -17.881) 18.834 16.470 ( -3.114 0.000 7.376) 8.006 16.721 ( -8.635 0.000 -7.069) 11.159 18.007 ( 7.434 0.000 23.784) 24.919 18.041 ( 20.887 0.000 19.223) 28.386 18.898 ( -6.874 0.000 -8.913) 11.256 19.548 ( -26.418 0.000 -32.924) 42.212 20.486 ( 18.333 0.000 9.207) 20.515 20.955 ( -15.902 0.000 -2.969) 16.177 21.837 ( 4.472 0.000 -1.773) 4.810 21.849 ( -0.495 0.000 1.204) 1.302 22.025 ( -1.532 0.000 1.622) 2.231 22.054 ( -1.614 0.000 -0.427) 1.669 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -20.294 0.000 6.191) 21.217 1.241 ( 4.971 0.000 2.945) 5.778 1.576 ( 3.040 0.000 11.865) 12.248 1.692 ( -6.814 0.000 -8.198) 10.660 1.853 ( 2.216 0.000 2.338) 3.221 2.101 ( 5.009 0.000 -14.411) 15.257 2.390 ( 2.399 0.000 4.250) 4.880 2.487 ( 4.085 0.000 -4.711) 6.236 2.708 ( -26.838 0.000 3.707) 27.093 2.729 ( -14.066 0.000 -8.718) 16.549 2.817 ( 0.275 0.000 13.522) 13.525 3.019 ( -2.048 0.000 9.593) 9.809 3.405 ( 5.325 0.000 8.883) 10.357 3.417 ( 3.144 0.000 2.440) 3.980 3.641 ( 9.942 0.000 -3.670) 10.597 3.642 ( 5.102 0.000 -16.183) 16.969 3.810 ( -6.721 0.000 1.437) 6.873 3.929 ( -3.553 0.000 1.583) 3.890 4.069 ( 3.664 0.000 0.556) 3.706 4.121 ( 10.870 0.000 -5.677) 12.263 4.358 ( -8.575 0.000 0.711) 8.605 4.565 ( 5.600 0.000 17.015) 17.913 4.587 ( 13.904 0.000 2.163) 14.071 4.775 ( 3.048 0.000 -18.021) 18.277 5.013 ( -0.153 0.000 -6.180) 6.182 5.019 ( 2.498 0.000 -0.584) 2.565 5.321 ( 2.358 0.000 9.712) 9.995 5.433 ( 3.435 0.000 -4.549) 5.700 5.600 ( -0.834 0.000 1.794) 1.978 5.703 ( 2.318 0.000 -8.441) 8.753 6.052 ( 4.067 0.000 1.231) 4.249 6.107 ( -0.075 0.000 -11.435) 11.435 6.420 ( 2.327 0.000 6.852) 7.237 6.486 ( 1.702 0.000 -4.368) 4.688 6.572 ( -7.565 0.000 -0.064) 7.565 6.698 ( 4.762 0.000 -1.033) 4.872 6.985 ( -5.889 0.000 -0.415) 5.904 7.028 ( 5.108 0.000 8.754) 10.136 7.227 ( -3.256 0.000 3.726) 4.949 7.324 ( 0.520 0.000 -6.582) 6.603 7.499 ( -8.281 0.000 7.853) 11.413 7.569 ( -7.705 0.000 3.855) 8.616 7.617 ( 1.984 0.000 3.520) 4.041 7.678 ( 0.090 0.000 -3.740) 3.741 7.772 ( 2.031 0.000 7.345) 7.621 7.904 ( 1.822 0.000 -8.516) 8.709 8.000 ( -5.437 0.000 -6.943) 8.818 8.020 ( 1.785 0.000 1.139) 2.118 8.234 ( -1.893 0.000 6.606) 6.872 8.352 ( 1.470 0.000 -6.393) 6.559 8.494 ( -3.132 0.000 0.806) 3.234 8.495 ( -5.523 0.000 -1.369) 5.690 8.681 ( -5.982 0.000 10.260) 11.877 8.921 ( 4.033 0.000 -10.834) 11.560 9.061 ( -4.057 0.000 -1.764) 4.424 9.076 ( 1.402 0.000 4.082) 4.316 9.168 ( -2.358 0.000 10.077) 10.349 9.315 ( 0.610 0.000 -9.740) 9.759 9.980 ( -1.999 0.000 3.629) 4.143 9.983 ( -4.598 0.000 2.295) 5.139 10.081 ( 3.232 0.000 1.778) 3.689 10.128 ( -0.877 0.000 -9.130) 9.172 10.353 ( -0.676 0.000 0.725) 0.991 10.385 ( 2.863 0.000 0.803) 2.974 10.919 ( 0.919 0.000 2.098) 2.290 10.927 ( -1.355 0.000 -2.726) 3.044 11.391 ( -3.944 0.000 -4.221) 5.777 11.409 ( 4.598 0.000 6.033) 7.585 11.555 ( -1.199 0.000 4.622) 4.775 11.685 ( 2.667 0.000 -9.119) 9.501 11.856 ( 2.977 0.000 2.984) 4.215 11.898 ( 1.719 0.000 -4.574) 4.886 12.196 ( 2.882 0.000 3.441) 4.488 12.217 ( 2.407 0.000 -0.655) 2.495 12.340 ( -3.103 0.000 1.770) 3.572 12.392 ( 1.576 0.000 1.418) 2.120 13.698 ( -5.552 0.000 -3.295) 6.456 13.791 ( 10.538 0.000 1.823) 10.695 14.248 ( 1.594 0.000 1.484) 2.178 14.377 ( 5.437 0.000 -8.005) 9.677 15.471 ( -0.135 0.000 15.581) 15.582 15.604 ( 0.311 0.000 5.897) 5.905 15.871 ( -8.009 0.000 -7.017) 10.648 16.090 ( -0.085 0.000 -22.393) 22.393 16.553 ( -3.917 0.000 -2.406) 4.597 16.589 ( 8.282 0.000 8.572) 11.919 18.095 ( -11.811 0.000 13.019) 17.578 18.435 ( 4.730 0.000 -16.915) 17.564 18.855 ( 10.338 0.000 35.001) 36.496 19.034 ( -9.053 0.000 -22.035) 23.822 20.638 ( -15.613 0.000 -7.218) 17.201 20.865 ( 17.669 0.000 6.480) 18.820 21.805 ( -5.034 0.000 1.494) 5.251 21.871 ( -0.031 0.000 -1.031) 1.031 22.037 ( 1.544 0.000 1.464) 2.128 22.044 ( 1.032 0.000 -0.523) 1.157 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -12.403 0.000 15.897) 20.163 1.320 ( -7.703 0.000 15.147) 16.993 1.482 ( -4.642 0.000 -14.427) 15.155 1.624 ( -6.235 0.000 6.279) 8.849 1.893 ( -0.463 0.000 -0.564) 0.730 2.021 ( -11.691 0.000 -9.531) 15.084 2.123 ( -32.178 0.000 14.455) 35.276 2.314 ( -2.266 0.000 -15.850) 16.011 2.551 ( 13.065 0.000 0.739) 13.086 2.686 ( 4.200 0.000 7.576) 8.662 2.978 ( 1.771 0.000 7.916) 8.112 3.062 ( 3.100 0.000 8.665) 9.202 3.422 ( -1.184 0.000 -9.778) 9.850 3.500 ( -0.004 0.000 6.949) 6.949 3.571 ( -3.930 0.000 -5.819) 7.022 3.701 ( 0.244 0.000 -3.417) 3.426 3.731 ( -2.928 0.000 -6.598) 7.219 3.801 ( -9.765 0.000 3.329) 10.317 4.217 ( 10.941 0.000 -0.427) 10.949 4.268 ( 4.392 0.000 -4.689) 6.425 4.336 ( 8.244 0.000 -5.488) 9.903 4.650 ( 2.618 0.000 -15.778) 15.994 4.765 ( 0.225 0.000 22.945) 22.946 4.943 ( 13.938 0.000 -5.950) 15.155 5.090 ( 11.893 0.000 4.163) 12.601 5.193 ( 18.647 0.000 0.040) 18.647 5.363 ( -0.064 0.000 -2.785) 2.785 5.473 ( 4.672 0.000 -7.070) 8.474 5.662 ( 3.445 0.000 9.975) 10.553 5.717 ( 5.282 0.000 -7.253) 8.972 6.068 ( 2.605 0.000 -9.391) 9.746 6.185 ( 8.547 0.000 4.380) 9.604 6.381 ( -9.734 0.000 -4.145) 10.580 6.532 ( 6.531 0.000 -5.268) 8.391 6.542 ( 4.459 0.000 7.562) 8.779 6.744 ( 1.386 0.000 -0.401) 1.443 6.829 ( -8.123 0.000 -3.558) 8.868 7.123 ( 0.622 0.000 0.131) 0.635 7.169 ( -7.602 0.000 6.282) 9.861 7.262 ( -2.341 0.000 -7.875) 8.216 7.387 ( -5.455 0.000 3.433) 6.445 7.493 ( -6.467 0.000 11.386) 13.095 7.630 ( -3.261 0.000 -1.017) 3.416 7.647 ( -3.457 0.000 4.303) 5.520 7.808 ( -1.994 0.000 2.425) 3.139 7.857 ( -5.339 0.000 0.981) 5.429 7.875 ( 2.379 0.000 -12.452) 12.677 8.043 ( -0.941 0.000 3.890) 4.003 8.267 ( 0.090 0.000 7.476) 7.476 8.268 ( -15.549 0.000 -0.825) 15.570 8.329 ( -13.180 0.000 -3.465) 13.628 8.330 ( -1.115 0.000 -6.709) 6.801 8.632 ( -5.694 0.000 5.728) 8.076 8.834 ( -11.266 0.000 -12.805) 17.056 8.956 ( 0.096 0.000 -9.328) 9.328 9.081 ( -1.383 0.000 1.059) 1.742 9.176 ( -4.594 0.000 13.698) 14.448 9.302 ( 3.744 0.000 -8.204) 9.018 9.896 ( -5.544 0.000 3.252) 6.427 9.955 ( -4.644 0.000 -2.523) 5.285 10.020 ( -0.798 0.000 -3.285) 3.381 10.143 ( 1.949 0.000 1.866) 2.698 10.373 ( 0.782 0.000 2.679) 2.791 10.441 ( 2.849 0.000 -1.149) 3.072 10.897 ( 0.370 0.000 -2.787) 2.811 10.939 ( 0.046 0.000 1.387) 1.387 11.359 ( 2.940 0.000 -2.510) 3.866 11.497 ( -0.475 0.000 7.729) 7.744 11.570 ( 1.661 0.000 0.408) 1.711 11.679 ( 2.543 0.000 -9.033) 9.384 11.928 ( 2.922 0.000 2.047) 3.568 11.940 ( 3.853 0.000 -1.048) 3.993 12.237 ( -0.331 0.000 -4.516) 4.528 12.340 ( 9.767 0.000 4.874) 10.915 12.391 ( 6.070 0.000 12.194) 13.622 12.428 ( 1.115 0.000 0.680) 1.306 13.676 ( 1.707 0.000 8.171) 8.348 14.056 ( 16.141 0.000 1.187) 16.185 14.323 ( 7.523 0.000 -3.403) 8.257 14.414 ( 3.451 0.000 -8.445) 9.123 15.474 ( -9.942 0.000 -20.079) 22.406 15.531 ( -5.531 0.000 11.772) 13.007 15.767 ( -6.982 0.000 19.091) 20.328 15.876 ( -1.578 0.000 -26.019) 26.066 16.566 ( 3.425 0.000 1.394) 3.698 16.782 ( 6.722 0.000 6.758) 9.532 17.778 ( -21.514 0.000 -3.387) 21.779 18.078 ( -20.433 0.000 -28.443) 35.022 18.943 ( 2.796 0.000 -0.092) 2.797 19.631 ( 38.871 0.000 48.200) 61.921 20.294 ( -15.796 0.000 -10.310) 18.863 21.192 ( 14.243 0.000 4.140) 14.833 21.707 ( -6.228 0.000 2.275) 6.630 21.846 ( -1.557 0.000 -0.034) 1.557 22.070 ( 1.520 0.000 -0.248) 1.540 22.076 ( 1.531 0.000 0.966) 1.810 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 3.611 0.000 23.598) 23.872 0.985 ( -27.250 0.000 12.153) 29.837 1.423 ( 0.649 0.000 -14.472) 14.487 1.458 ( -11.305 0.000 1.841) 11.454 1.596 ( -19.924 0.000 -15.799) 25.428 1.792 ( -9.103 0.000 -13.873) 16.593 1.859 ( -12.826 0.000 40.728) 42.700 2.333 ( 4.796 0.000 -5.236) 7.101 2.802 ( 8.037 0.000 3.216) 8.657 2.872 ( 9.968 0.000 10.373) 14.386 2.986 ( 3.728 0.000 -4.652) 5.961 3.168 ( 4.850 0.000 -11.102) 12.116 3.340 ( -0.162 0.000 -2.517) 2.522 3.476 ( -3.045 0.000 -4.123) 5.125 3.511 ( -1.985 0.000 5.189) 5.556 3.601 ( -9.793 0.000 4.997) 10.994 3.606 ( -5.287 0.000 -4.815) 7.151 3.678 ( -6.837 0.000 -1.295) 6.958 4.276 ( 1.052 0.000 -3.010) 3.189 4.373 ( 5.837 0.000 -2.969) 6.548 4.461 ( 5.427 0.000 -2.975) 6.189 4.612 ( 2.981 0.000 -13.605) 13.928 4.863 ( -2.467 0.000 19.751) 19.904 5.105 ( 10.445 0.000 -9.621) 14.201 5.311 ( -1.891 0.000 1.485) 2.404 5.371 ( 10.082 0.000 0.327) 10.087 5.528 ( 6.034 0.000 -3.004) 6.741 5.636 ( 24.463 0.000 -1.269) 24.495 5.766 ( 1.550 0.000 3.159) 3.519 5.836 ( 10.326 0.000 0.128) 10.327 6.111 ( 7.998 0.000 -5.587) 9.756 6.186 ( -7.136 0.000 -3.670) 8.025 6.415 ( 13.844 0.000 1.342) 13.909 6.617 ( 3.485 0.000 -8.453) 9.143 6.662 ( -3.397 0.000 -1.950) 3.917 6.692 ( 0.616 0.000 10.614) 10.632 6.777 ( 2.293 0.000 4.671) 5.204 7.030 ( -5.213 0.000 -12.258) 13.320 7.038 ( -7.988 0.000 3.287) 8.638 7.171 ( -4.650 0.000 0.056) 4.651 7.360 ( -0.895 0.000 5.132) 5.210 7.430 ( -11.191 0.000 -11.537) 16.073 7.442 ( -6.676 0.000 10.605) 12.532 7.616 ( -5.343 0.000 4.958) 7.289 7.705 ( -13.494 0.000 4.225) 14.140 7.838 ( -0.269 0.000 -6.734) 6.739 7.871 ( 0.821 0.000 4.835) 4.904 7.939 ( -9.103 0.000 -2.994) 9.583 8.063 ( -8.235 0.000 -4.713) 9.488 8.072 ( -2.630 0.000 2.269) 3.474 8.201 ( -17.672 0.000 0.274) 17.674 8.250 ( -3.722 0.000 -6.789) 7.743 8.477 ( -7.412 0.000 -5.890) 9.467 8.559 ( -3.819 0.000 2.100) 4.359 8.946 ( 3.514 0.000 -7.055) 7.882 9.027 ( -5.156 0.000 0.426) 5.173 9.187 ( -2.879 0.000 13.547) 13.850 9.331 ( 3.841 0.000 -7.458) 8.389 9.837 ( -3.816 0.000 5.320) 6.547 9.895 ( 2.748 0.000 -3.463) 4.421 10.047 ( 2.330 0.000 1.326) 2.681 10.160 ( -1.223 0.000 1.364) 1.832 10.389 ( -1.330 0.000 3.765) 3.993 10.470 ( 1.974 0.000 -3.775) 4.260 10.912 ( 2.648 0.000 -2.395) 3.570 10.940 ( -0.683 0.000 1.213) 1.392 11.435 ( 6.115 0.000 -3.881) 7.242 11.502 ( -3.363 0.000 8.248) 8.907 11.588 ( -0.182 0.000 -2.297) 2.304 11.672 ( 2.683 0.000 -9.216) 9.599 11.992 ( 1.200 0.000 1.420) 1.859 11.995 ( 3.705 0.000 -0.352) 3.722 12.219 ( 1.492 0.000 -1.581) 2.174 12.411 ( -1.717 0.000 -1.878) 2.544 12.600 ( 6.946 0.000 12.258) 14.089 12.623 ( 14.240 0.000 7.781) 16.227 13.830 ( 5.028 0.000 18.409) 19.084 14.353 ( 13.344 0.000 -0.029) 13.344 14.405 ( 3.826 0.000 -9.920) 10.633 14.495 ( 14.610 0.000 -6.233) 15.884 15.102 ( -18.845 0.000 -13.907) 23.421 15.270 ( -19.959 0.000 -6.996) 21.149 15.739 ( -8.940 0.000 19.357) 21.322 15.920 ( 14.976 0.000 -15.096) 21.264 16.643 ( 3.674 0.000 2.464) 4.423 16.886 ( -0.843 0.000 6.484) 6.539 17.388 ( -17.407 0.000 -3.065) 17.675 17.491 ( -22.845 0.000 -19.880) 30.284 19.058 ( 6.583 0.000 8.467) 10.725 19.863 ( -17.073 0.000 -12.648) 21.248 20.809 ( 53.152 0.000 27.755) 59.962 21.413 ( 7.307 0.000 2.419) 7.697 21.628 ( -3.621 0.000 3.383) 4.955 21.822 ( -2.205 0.000 1.721) 2.797 22.087 ( 0.299 0.000 0.196) 0.358 22.096 ( 0.194 0.000 0.378) 0.424 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 3.521 6.105 19.427) 20.666 1.229 ( -3.069 13.715 -4.031) 14.621 1.278 ( -1.948 9.072 4.216) 10.191 1.477 ( 2.941 9.858 1.636) 10.416 1.552 ( 3.256 13.760 -5.015) 15.003 1.673 ( -6.169 16.574 -16.237) 24.008 2.096 ( 0.994 11.839 29.552) 31.851 2.375 ( 0.631 1.153 -5.268) 5.429 2.750 ( -7.092 -2.063 7.666) 10.646 3.042 ( 2.859 0.530 -4.783) 5.598 3.103 ( -9.728 -3.285 -4.426) 11.181 3.161 ( 7.266 -0.731 -8.321) 11.071 3.398 ( 4.930 4.639 3.217) 7.495 3.428 ( 2.819 4.778 4.917) 7.413 3.522 ( -0.800 5.084 0.630) 5.185 3.560 ( -1.755 5.956 -6.407) 8.922 3.626 ( -0.854 4.791 3.430) 5.954 3.691 ( 1.423 9.072 -2.831) 9.609 4.229 ( -0.868 -5.664 1.112) 5.837 4.254 ( -2.672 -10.337 -0.804) 10.707 4.421 ( -0.070 -3.561 1.362) 3.813 4.496 ( -1.247 -5.807 -6.021) 8.458 4.945 ( -1.598 1.328 11.335) 11.524 5.181 ( 1.746 -5.336 -9.094) 10.687 5.273 ( 1.385 -1.223 1.537) 2.404 5.402 ( 1.411 -1.492 -9.849) 10.060 5.549 ( -1.021 -4.694 3.244) 5.796 5.622 ( -0.723 -6.115 -3.204) 6.941 5.910 ( 2.611 -5.246 5.194) 7.830 6.035 ( -3.098 -9.794 1.792) 10.428 6.080 ( 5.563 0.748 -7.684) 9.516 6.132 ( 5.346 -7.510 -2.403) 9.526 6.331 ( -4.663 -0.950 3.708) 6.033 6.459 ( -7.528 2.205 -7.365) 10.760 6.720 ( 7.754 -13.200 5.822) 16.379 6.791 ( -7.129 -7.224 -1.157) 10.215 6.822 ( -5.253 -0.889 -1.689) 5.589 6.857 ( 8.604 -2.265 -3.188) 9.451 6.967 ( -0.918 -1.002 9.232) 9.331 7.133 ( -2.663 0.084 -5.800) 6.383 7.177 ( 0.208 0.328 8.310) 8.319 7.261 ( 2.374 -0.416 1.305) 2.741 7.442 ( 2.192 -1.735 -0.212) 2.803 7.539 ( -4.168 -4.162 -7.286) 9.369 7.630 ( -1.145 5.241 9.501) 10.911 7.720 ( -2.354 1.360 2.258) 3.534 7.768 ( 1.238 0.434 -3.767) 3.989 7.869 ( 0.551 1.905 -8.227) 8.463 8.031 ( -3.007 2.042 8.026) 8.810 8.121 ( 3.065 4.247 0.522) 5.264 8.279 ( 2.110 11.041 -2.991) 11.632 8.299 ( -3.754 11.155 -2.704) 12.077 8.530 ( 6.008 8.958 3.972) 11.494 8.618 ( -2.383 8.282 -4.085) 9.538 8.879 ( -5.811 -1.720 6.081) 8.585 8.981 ( 2.893 -0.244 -3.857) 4.828 9.298 ( -0.939 7.097 4.627) 8.524 9.378 ( 1.592 2.675 -4.092) 5.141 9.783 ( -0.954 -1.304 3.043) 3.446 9.884 ( 3.488 -4.437 -6.787) 8.827 10.098 ( 0.158 0.601 3.344) 3.401 10.159 ( 0.384 2.201 -2.969) 3.715 10.465 ( -1.900 6.042 8.181) 10.346 10.568 ( 0.812 3.561 -2.200) 4.264 10.988 ( -1.144 5.702 2.143) 6.198 11.039 ( 1.077 6.378 -2.901) 7.089 11.466 ( -3.082 -0.897 8.563) 9.145 11.481 ( 1.784 -1.094 2.135) 2.990 11.597 ( -1.130 2.757 -8.753) 9.246 11.671 ( 2.337 1.350 -11.040) 11.365 12.002 ( 0.108 -0.571 0.394) 0.702 12.033 ( 0.629 -0.990 -2.457) 2.722 12.285 ( 2.503 1.446 5.132) 5.890 12.362 ( -4.800 2.571 -3.302) 6.369 12.659 ( 0.310 -5.169 11.040) 12.194 12.833 ( 3.797 -1.378 -7.248) 8.297 14.123 ( 3.396 8.229 21.691) 23.446 14.432 ( -8.241 -1.418 1.162) 8.442 14.463 ( -2.334 -8.753 -5.253) 10.472 14.552 ( 8.328 2.221 -10.680) 13.724 14.819 ( 14.719 -0.726 -1.844) 14.851 14.866 ( -19.886 -1.702 -8.511) 21.697 15.664 ( -7.032 -2.188 17.521) 19.006 15.978 ( 7.193 -8.578 -13.432) 17.485 16.571 ( 6.135 -8.511 12.311) 16.176 16.718 ( -6.463 -9.717 -3.453) 12.170 17.349 ( -2.656 15.587 2.666) 16.034 17.452 ( 1.561 16.774 -8.156) 18.716 19.119 ( 8.845 -13.304 19.546) 25.245 19.457 ( -10.769 -5.636 -17.044) 20.934 21.182 ( 6.958 -12.808 16.507) 22.021 21.413 ( -2.346 -5.012 -8.403) 10.062 21.809 ( -2.069 3.185 4.188) 5.654 21.940 ( 2.484 4.011 -9.690) 10.777 22.118 ( 0.198 2.646 0.656) 2.733 22.147 ( 1.623 6.223 -3.942) 7.543 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 14.240 3.957 -6.347) 16.084 1.288 ( 19.203 7.355 10.291) 22.995 1.336 ( -1.911 16.325 11.387) 19.996 1.468 ( 0.518 17.309 -13.669) 22.062 1.603 ( 8.237 7.246 -3.508) 11.518 1.744 ( 14.174 13.294 2.486) 19.591 2.267 ( 0.960 4.293 5.470) 7.019 2.394 ( 7.169 1.131 -3.408) 8.018 2.679 ( -6.999 0.079 20.317) 21.489 2.796 ( -17.434 0.433 4.194) 17.936 3.044 ( 1.363 0.533 -12.282) 12.369 3.183 ( -9.777 5.068 -5.047) 12.114 3.259 ( -1.829 -5.916 0.161) 6.195 3.474 ( 0.119 4.058 -1.181) 4.228 3.514 ( -0.228 1.381 1.559) 2.095 3.687 ( 11.059 6.346 -0.688) 12.769 3.745 ( 10.254 7.287 -4.200) 13.263 3.798 ( 5.373 7.587 -0.117) 9.298 4.176 ( -4.520 -7.651 2.503) 9.232 4.216 ( -2.537 -6.197 2.726) 7.230 4.369 ( -6.148 -5.361 -0.526) 8.174 4.406 ( -5.509 -4.042 0.306) 6.840 4.926 ( -6.468 2.606 8.569) 11.047 5.148 ( -1.969 -5.724 -0.458) 6.070 5.278 ( -2.431 -0.201 -8.901) 9.230 5.293 ( -5.222 -2.300 0.657) 5.744 5.501 ( -11.092 -5.337 -3.583) 12.820 5.575 ( 1.586 -7.624 0.886) 7.838 5.796 ( -15.167 -0.829 -4.560) 15.859 5.926 ( -2.402 -4.262 -2.486) 5.488 6.012 ( -1.966 -1.897 -3.804) 4.683 6.145 ( -1.625 -2.284 -0.594) 2.865 6.388 ( 2.797 -11.655 1.354) 12.062 6.447 ( 2.263 3.126 7.748) 8.656 6.529 ( -11.454 0.402 -1.465) 11.554 6.674 ( -5.386 -3.939 -5.429) 8.603 6.904 ( 4.509 -8.910 3.026) 10.434 6.965 ( 0.987 -2.086 -2.755) 3.594 6.986 ( 0.027 -4.734 6.907) 8.374 7.185 ( 7.011 8.085 6.888) 12.727 7.221 ( 9.366 1.400 -5.970) 11.195 7.455 ( 6.628 -5.521 -1.055) 8.690 7.541 ( 1.853 -0.502 8.890) 9.095 7.603 ( 10.891 2.011 -4.352) 11.900 7.720 ( 9.384 -2.399 2.755) 10.070 7.769 ( 2.898 -2.303 2.754) 4.614 7.794 ( 3.973 -2.160 -2.506) 5.170 7.885 ( 7.179 -1.628 -4.816) 8.796 8.027 ( -1.914 -0.580 6.623) 6.918 8.193 ( 6.268 3.577 -1.221) 7.319 8.239 ( -1.179 7.220 0.677) 7.347 8.359 ( 7.056 13.313 -0.817) 15.090 8.554 ( -0.595 6.158 -6.837) 9.220 8.705 ( 10.639 10.467 0.554) 14.935 8.829 ( -3.044 1.755 7.845) 8.596 9.042 ( 4.197 -0.004 -1.235) 4.375 9.236 ( -5.946 4.498 0.614) 7.481 9.417 ( 3.775 3.986 -2.287) 5.947 9.806 ( 1.727 0.016 2.775) 3.269 9.913 ( 4.086 -5.198 -7.552) 10.037 10.082 ( -1.947 1.541 -0.095) 2.485 10.187 ( 2.929 0.989 -1.482) 3.428 10.442 ( -5.105 6.344 6.607) 10.486 10.541 ( -1.993 3.370 -2.299) 4.540 10.968 ( -2.384 5.886 1.705) 6.575 11.036 ( 0.271 5.757 -1.762) 6.027 11.415 ( -4.410 2.162 1.005) 5.014 11.513 ( -2.240 0.150 4.279) 4.832 11.556 ( 0.648 0.619 2.508) 2.664 11.678 ( 4.656 -0.723 -11.030) 11.995 11.968 ( -2.440 -1.283 -0.963) 2.920 12.034 ( -0.212 -1.309 -1.315) 1.868 12.239 ( -6.306 2.918 -1.145) 7.042 12.344 ( -0.544 0.166 6.978) 7.001 12.644 ( -6.885 -2.286 4.681) 8.633 12.735 ( -7.569 -2.612 -8.767) 11.873 14.191 ( -9.580 -0.944 3.170) 10.134 14.297 ( -8.001 7.723 -6.084) 12.676 14.338 ( -1.336 3.279 1.734) 3.943 14.514 ( -9.183 8.355 -1.060) 12.460 14.772 ( 13.245 -12.457 -1.546) 18.248 15.102 ( 13.271 -5.328 7.888) 16.332 15.619 ( -7.254 -3.173 12.256) 14.591 16.020 ( 5.863 -9.835 -13.510) 17.709 16.457 ( -8.194 -11.151 -0.045) 13.838 16.987 ( 18.684 -6.646 3.071) 20.068 17.362 ( 3.193 15.415 4.583) 16.396 17.515 ( 8.298 17.757 -2.966) 19.823 19.127 ( -9.803 -9.909 -9.084) 16.638 19.517 ( 16.579 -10.331 13.255) 23.607 21.057 ( -22.625 -2.744 -9.674) 24.759 21.344 ( -3.652 -8.441 2.372) 9.498 21.741 ( -3.046 5.572 0.629) 6.382 21.912 ( -1.381 0.889 -2.234) 2.773 22.101 ( -0.975 2.185 -0.026) 2.393 22.162 ( 0.379 4.781 -1.578) 5.049 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.002 18.134 -9.984) 20.700 1.426 ( 0.792 19.848 6.228) 20.818 1.499 ( 11.474 4.581 -2.916) 12.694 1.725 ( 9.726 3.216 0.334) 10.250 1.818 ( 16.310 1.611 11.514) 20.029 1.994 ( 11.116 9.079 -2.600) 14.586 2.188 ( -7.152 2.413 -2.708) 8.019 2.497 ( 9.310 0.803 -7.645) 12.073 2.532 ( -9.951 0.753 0.568) 9.996 2.825 ( -0.893 4.104 8.631) 9.599 2.974 ( 4.029 -0.960 13.301) 13.930 3.094 ( 0.552 -0.201 -1.827) 1.919 3.178 ( -3.738 -3.860 -3.916) 6.649 3.491 ( -1.140 -4.489 -3.247) 5.656 3.534 ( 1.484 2.499 1.867) 3.455 3.726 ( -8.552 1.675 -0.527) 8.730 3.819 ( -1.103 5.993 -3.953) 7.263 3.887 ( 8.553 2.907 -0.303) 9.038 4.134 ( -5.474 -5.356 0.237) 7.662 4.179 ( -3.194 -4.380 0.888) 5.493 4.229 ( -1.953 -0.265 0.227) 1.984 4.380 ( 0.529 -1.147 6.079) 6.209 4.809 ( -11.528 -2.844 2.664) 12.169 5.045 ( -12.243 -4.421 6.761) 14.667 5.119 ( -6.322 -3.343 -5.329) 8.919 5.244 ( 0.616 -0.239 -1.898) 2.010 5.251 ( -12.316 -0.436 -5.830) 13.633 5.509 ( -3.462 4.400 -2.766) 6.245 5.660 ( -1.212 -2.868 -0.670) 3.185 5.846 ( -2.124 3.665 -7.722) 8.807 5.987 ( 1.079 -2.441 -2.417) 3.600 6.181 ( 3.106 -6.988 4.129) 8.691 6.330 ( -5.100 -12.623 1.011) 13.652 6.400 ( -1.857 2.028 -9.125) 9.530 6.550 ( -0.153 -0.411 3.478) 3.506 6.600 ( 2.392 -1.155 4.135) 4.915 6.879 ( -2.580 2.624 -2.815) 4.633 6.977 ( 0.390 0.791 2.268) 2.434 7.155 ( 7.389 -8.673 9.287) 14.699 7.311 ( 6.412 -5.581 -2.041) 8.742 7.382 ( 7.119 7.648 6.770) 12.450 7.549 ( 2.274 6.425 1.263) 6.932 7.578 ( -1.279 -4.017 8.513) 9.500 7.680 ( 1.481 1.463 -10.245) 10.454 7.789 ( 4.545 -7.011 -2.129) 8.622 7.859 ( 5.534 -3.068 -1.495) 6.502 7.904 ( -0.434 -4.597 -10.335) 11.319 8.047 ( 9.779 -4.309 4.143) 11.462 8.074 ( 5.768 -3.450 10.037) 12.079 8.209 ( -2.206 -2.200 2.697) 4.121 8.329 ( 3.961 3.433 -2.959) 6.019 8.496 ( 5.053 4.501 -4.928) 8.371 8.605 ( 12.269 6.058 3.070) 14.024 8.818 ( 3.069 7.604 1.872) 8.410 8.944 ( 7.056 9.183 5.394) 12.776 9.094 ( 0.997 4.758 -0.959) 4.954 9.140 ( -2.388 -0.942 2.532) 3.605 9.469 ( 3.554 5.506 -4.843) 8.149 9.883 ( 4.740 0.866 3.118) 5.740 9.943 ( 3.493 -3.263 -4.952) 6.883 10.049 ( -0.876 1.595 -1.257) 2.212 10.203 ( -0.898 1.704 -1.991) 2.771 10.391 ( -2.911 3.561 3.511) 5.787 10.477 ( -3.479 2.462 -1.216) 4.432 10.930 ( -1.959 3.808 0.732) 4.345 11.030 ( -0.560 5.595 -0.052) 5.623 11.354 ( -1.607 4.008 -0.118) 4.320 11.512 ( -1.311 -1.804 5.647) 6.071 11.577 ( -1.394 2.918 5.465) 6.349 11.694 ( 3.983 -0.121 -10.757) 11.471 11.920 ( -1.851 -1.150 -2.546) 3.352 11.982 ( -4.498 -0.225 -2.289) 5.052 12.157 ( -2.796 -0.184 3.659) 4.609 12.318 ( -6.911 -3.797 3.401) 8.588 12.497 ( -7.581 3.856 -2.734) 8.934 12.545 ( -7.307 -1.285 -3.486) 8.198 13.890 ( -13.067 1.008 -8.601) 15.676 14.152 ( -7.351 2.656 -4.970) 9.262 14.354 ( -2.926 11.249 6.817) 13.475 14.430 ( 1.463 9.229 -5.411) 10.798 15.007 ( 9.670 -11.895 7.995) 17.290 15.377 ( 5.533 -4.946 20.445) 21.750 15.590 ( 2.140 -10.841 -1.529) 11.156 16.016 ( 2.380 -10.705 -13.572) 17.449 16.360 ( -3.053 -10.731 3.311) 11.638 17.135 ( -0.318 7.357 -10.425) 12.764 17.592 ( 10.876 2.762 12.706) 16.952 17.758 ( 20.117 12.157 5.058) 24.043 18.915 ( -7.100 -10.054 -7.767) 14.554 19.940 ( 19.488 -11.357 14.200) 26.653 20.442 ( -30.491 7.887 -21.965) 38.397 21.200 ( -12.961 -4.007 1.367) 13.635 21.751 ( 2.909 1.458 0.180) 3.259 21.879 ( -1.001 0.824 -0.372) 1.349 22.086 ( -1.092 2.683 1.044) 3.079 22.145 ( -1.169 5.251 -0.805) 5.440 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.077 14.321 -3.952) 16.052 1.397 ( -7.561 14.913 -0.175) 16.721 1.615 ( 1.665 11.370 6.351) 13.130 1.827 ( 3.274 2.876 -7.107) 8.337 1.922 ( -5.064 4.297 4.575) 8.064 2.093 ( 4.398 3.793 -10.778) 12.244 2.268 ( 8.550 1.563 14.322) 16.753 2.423 ( 0.295 0.684 1.472) 1.650 2.672 ( 0.608 0.660 2.166) 2.345 2.817 ( 11.879 1.563 -3.704) 12.540 3.037 ( -4.797 -1.034 -9.801) 10.961 3.148 ( 2.529 -4.147 -4.813) 6.838 3.273 ( -7.927 -0.980 17.264) 19.022 3.374 ( 4.431 -1.679 3.604) 5.954 3.447 ( -8.382 -3.272 1.357) 9.100 3.601 ( -2.486 -0.902 0.370) 2.670 3.827 ( 7.189 -0.345 -2.664) 7.675 3.962 ( -5.117 1.041 -1.504) 5.434 4.036 ( -1.627 -4.605 0.398) 4.900 4.104 ( 0.086 2.411 -2.216) 3.276 4.322 ( 6.957 -0.094 1.378) 7.093 4.454 ( 2.416 0.740 7.422) 7.840 4.554 ( -13.881 -3.746 1.180) 14.426 4.875 ( -7.079 -3.118 -5.754) 9.641 4.995 ( -2.768 -6.991 -9.599) 12.194 5.046 ( -4.130 3.908 -1.091) 5.790 5.321 ( 3.677 4.685 8.404) 10.300 5.474 ( -1.492 6.756 1.555) 7.091 5.622 ( -1.953 -1.850 -0.420) 2.723 5.778 ( 0.808 4.848 -11.749) 12.735 5.998 ( 0.649 -2.530 -1.377) 2.952 6.177 ( -0.941 -8.042 -10.242) 13.056 6.304 ( -2.943 -6.004 8.882) 11.117 6.373 ( 3.455 -5.758 -3.517) 7.581 6.557 ( 3.056 4.511 -0.799) 5.507 6.731 ( 3.194 -3.724 5.607) 7.450 6.786 ( -3.255 4.526 0.465) 5.594 7.021 ( 0.832 -0.470 3.267) 3.404 7.288 ( 1.411 -6.319 7.195) 9.680 7.413 ( 4.839 -6.346 -0.094) 7.981 7.487 ( 0.313 7.615 0.875) 7.671 7.576 ( -4.469 1.597 0.116) 4.747 7.578 ( -0.184 -0.681 10.459) 10.483 7.687 ( 5.870 -2.033 -6.122) 8.722 7.769 ( -4.941 -3.021 -8.269) 10.095 7.863 ( 3.994 -3.896 -1.177) 5.702 7.934 ( 3.949 -2.062 -1.252) 4.628 8.111 ( -2.861 1.781 -2.601) 4.257 8.130 ( -2.153 -8.603 7.223) 11.438 8.298 ( 1.193 -4.356 -2.225) 5.035 8.380 ( 8.927 -0.719 1.002) 9.012 8.522 ( -0.867 -0.027 -1.051) 1.363 8.804 ( 5.117 5.051 0.565) 7.212 8.908 ( 0.217 0.285 0.272) 0.450 8.975 ( 1.766 6.584 6.329) 9.302 9.133 ( 2.556 4.497 -0.328) 5.183 9.213 ( 3.950 5.921 6.075) 9.358 9.463 ( 0.047 7.404 -8.797) 11.498 9.983 ( 2.129 -0.039 3.302) 3.929 9.987 ( 2.596 -1.465 0.181) 2.987 10.044 ( 1.040 1.332 -0.238) 1.707 10.149 ( -1.937 1.645 -3.377) 4.227 10.371 ( -0.653 1.078 0.833) 1.511 10.418 ( -2.347 2.757 -0.722) 3.692 10.928 ( 1.266 2.642 1.199) 3.166 11.003 ( -2.287 3.355 -0.578) 4.102 11.373 ( 2.547 5.533 3.401) 6.976 11.513 ( -1.942 -0.278 1.558) 2.506 11.576 ( -1.415 4.435 4.555) 6.513 11.700 ( 3.188 0.827 -8.977) 9.562 11.830 ( -5.221 -0.690 -0.276) 5.273 11.915 ( -0.613 -0.568 -4.301) 4.381 12.153 ( -0.585 -4.279 2.293) 4.890 12.178 ( -5.373 -3.497 -1.353) 6.552 12.404 ( -2.084 2.481 0.839) 3.348 12.436 ( -3.800 2.599 -0.963) 4.703 13.722 ( -1.876 2.428 0.064) 3.069 13.954 ( -7.670 5.405 -11.415) 14.776 14.345 ( -2.256 10.395 6.358) 12.392 14.447 ( 4.050 10.209 -7.021) 13.036 15.204 ( 4.389 -11.156 14.250) 18.622 15.511 ( -0.476 -1.629 15.574) 15.667 15.645 ( 2.916 -21.985 -7.271) 23.339 15.960 ( 0.916 -12.717 -13.077) 18.264 16.431 ( 6.663 -4.707 11.512) 14.109 16.955 ( -9.978 9.566 -14.190) 19.810 17.811 ( 4.508 -2.817 15.196) 16.099 18.162 ( 16.632 -2.466 -5.088) 17.567 18.833 ( 0.906 2.844 11.215) 11.605 19.751 ( -26.005 8.390 -26.516) 38.076 20.400 ( 20.472 -4.281 11.024) 23.642 20.921 ( -16.233 -2.909 -3.241) 16.807 21.814 ( 2.912 -0.734 0.560) 3.055 21.863 ( -0.916 -0.433 -0.549) 1.153 22.076 ( -0.811 4.441 1.981) 4.930 22.119 ( -0.693 5.611 -1.304) 5.802 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -14.114 18.039 4.262) 23.297 1.365 ( 2.144 10.850 5.335) 12.280 1.676 ( 0.216 9.276 4.426) 10.280 1.796 ( -2.812 8.485 -4.828) 10.159 1.910 ( 2.895 4.549 1.266) 5.539 2.092 ( 2.000 1.399 -9.925) 10.221 2.394 ( 1.655 0.277 3.293) 3.696 2.491 ( 2.488 0.209 -5.157) 5.730 2.725 ( -13.390 0.893 4.022) 14.009 2.751 ( -9.202 1.603 -6.878) 11.600 2.833 ( -8.114 2.580 10.683) 13.661 3.001 ( -4.018 -0.196 8.249) 9.178 3.308 ( 3.606 -5.712 7.569) 10.145 3.459 ( 3.732 0.132 2.336) 4.405 3.582 ( 9.786 -4.737 -11.377) 15.736 3.636 ( 8.027 -3.934 -2.322) 9.236 3.807 ( -6.339 2.109 -2.801) 7.244 3.964 ( 2.648 1.216 1.143) 3.130 4.032 ( 1.534 -2.269 1.677) 3.212 4.118 ( 4.335 0.501 -4.104) 5.990 4.324 ( -7.837 -3.230 2.592) 8.864 4.503 ( 9.646 -4.124 4.791) 11.533 4.628 ( 7.447 1.256 4.345) 8.713 4.724 ( 1.338 -5.391 -14.621) 15.640 4.986 ( 3.235 1.485 1.502) 3.864 5.023 ( 3.756 -0.062 -3.601) 5.204 5.413 ( -2.033 8.100 3.643) 9.111 5.482 ( 3.655 2.849 5.339) 7.070 5.606 ( -0.248 0.156 1.925) 1.947 5.735 ( 2.807 4.021 -13.226) 14.106 5.998 ( -0.768 -8.329 2.007) 8.602 6.122 ( 3.170 -2.267 -10.148) 10.871 6.294 ( -2.914 -7.161 5.584) 9.537 6.429 ( 4.500 -4.388 -2.524) 6.773 6.622 ( -5.749 2.305 -8.802) 10.763 6.648 ( 4.607 4.213 3.965) 7.396 6.873 ( -2.851 -4.274 10.248) 11.464 7.022 ( 2.806 -0.103 -4.246) 5.090 7.331 ( -1.834 -5.224 8.417) 10.075 7.393 ( -5.747 -0.908 1.387) 5.981 7.462 ( -7.004 -0.962 -0.058) 7.070 7.512 ( -6.494 -1.174 1.612) 6.793 7.553 ( 2.747 -1.808 0.318) 3.304 7.729 ( 3.605 1.063 -5.786) 6.900 7.760 ( 0.096 -1.311 8.846) 8.943 7.892 ( 1.388 -3.586 -9.607) 10.348 7.970 ( -7.193 -0.682 -4.243) 8.379 8.025 ( 4.648 0.265 5.027) 6.852 8.177 ( 0.576 -2.515 8.283) 8.675 8.263 ( -0.144 -6.548 -5.758) 8.720 8.415 ( -9.061 -4.435 -0.616) 10.107 8.516 ( 2.144 0.496 0.018) 2.200 8.744 ( -9.747 5.643 3.619) 11.830 8.953 ( 6.411 2.278 -3.933) 7.859 9.066 ( -0.362 0.509 5.716) 5.750 9.123 ( -1.422 5.036 -4.853) 7.137 9.276 ( -2.787 9.396 6.096) 11.542 9.391 ( -0.523 6.958 -8.550) 11.036 9.965 ( -5.004 -0.658 1.818) 5.365 9.998 ( -1.748 0.092 2.978) 3.455 10.094 ( 1.684 1.209 -0.657) 2.175 10.109 ( 0.842 -0.343 -4.331) 4.426 10.373 ( -1.078 1.965 0.437) 2.283 10.402 ( 2.372 1.531 0.875) 2.956 10.946 ( -1.624 2.303 -0.275) 2.832 10.988 ( 2.849 3.550 0.789) 4.620 11.417 ( -4.561 2.012 -0.261) 4.992 11.474 ( 1.802 5.847 3.895) 7.253 11.598 ( 1.481 2.951 1.841) 3.780 11.707 ( 3.471 2.851 -7.629) 8.853 11.820 ( 1.955 -2.373 4.325) 5.307 11.890 ( 2.263 -0.612 -6.300) 6.722 12.157 ( 2.348 -4.061 1.012) 4.799 12.176 ( 3.594 -3.853 -0.055) 5.269 12.366 ( -3.314 2.662 2.520) 4.941 12.429 ( 2.637 3.213 1.350) 4.370 13.741 ( -2.964 3.882 -0.585) 4.919 13.857 ( 8.712 5.669 -2.485) 10.687 14.344 ( -0.518 8.996 2.826) 9.444 14.488 ( 4.837 9.481 -7.838) 13.218 15.311 ( -3.151 -12.781 12.023) 17.827 15.534 ( 1.298 -11.855 -14.020) 18.406 15.639 ( -3.050 -8.682 18.774) 20.908 15.913 ( 2.468 -14.476 -15.282) 21.194 16.618 ( -8.832 1.418 -0.767) 8.978 16.718 ( 5.911 2.174 4.034) 7.480 17.903 ( -6.174 -7.311 16.055) 18.691 18.169 ( -3.451 -12.640 -21.462) 25.146 19.045 ( -8.847 11.179 13.668) 19.750 19.345 ( 12.545 15.965 -3.903) 20.676 20.582 ( -16.678 -4.201 -8.552) 19.208 20.826 ( 19.916 -2.508 6.670) 21.153 21.811 ( -3.443 0.091 0.775) 3.530 21.862 ( 1.008 -0.905 -0.466) 1.433 22.085 ( 0.381 4.660 1.818) 5.017 22.112 ( 0.942 5.538 -1.349) 5.777 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -5.577 25.419 10.697) 28.137 1.363 ( -11.954 4.179 10.601) 16.514 1.621 ( -1.434 12.299 -7.958) 14.719 1.714 ( -7.142 7.232 0.623) 10.184 1.934 ( -4.569 2.292 1.316) 5.278 2.015 ( -8.366 1.317 -1.287) 8.567 2.178 ( -20.227 6.404 -0.653) 21.227 2.390 ( -6.798 7.897 -6.879) 12.486 2.539 ( 9.663 0.439 -0.220) 9.675 2.798 ( 8.840 7.005 5.201) 12.420 2.948 ( 1.160 -2.493 7.888) 8.353 3.023 ( 3.580 -2.282 8.350) 9.367 3.372 ( -1.129 -3.796 -6.189) 7.347 3.422 ( -1.202 -7.416 -0.496) 7.529 3.597 ( -3.360 2.696 -3.426) 5.504 3.752 ( 1.520 3.834 -3.491) 5.403 3.775 ( 2.957 5.135 0.083) 5.926 3.873 ( -8.940 1.996 1.702) 9.317 4.139 ( 6.487 -3.699 0.960) 7.529 4.212 ( 8.276 -6.340 -5.682) 11.873 4.299 ( 3.316 -1.530 -3.572) 5.108 4.563 ( -0.488 -6.676 -11.256) 13.096 4.724 ( 6.339 -4.596 10.086) 12.769 4.924 ( 12.657 -2.361 2.026) 13.034 5.077 ( 9.032 -2.418 2.181) 9.601 5.230 ( 17.643 3.473 -2.523) 18.158 5.355 ( -1.154 1.208 -5.417) 5.669 5.563 ( 1.776 5.754 1.410) 6.185 5.634 ( 0.889 -1.347 2.693) 3.139 5.760 ( 6.724 4.407 -4.419) 9.174 5.988 ( -0.311 -10.703 -1.085) 10.762 6.190 ( 5.723 -5.507 -1.750) 8.132 6.292 ( 2.029 -1.365 1.329) 2.783 6.464 ( -3.106 -7.136 -9.637) 12.387 6.492 ( 1.225 1.022 2.481) 2.950 6.716 ( -0.909 1.084 -1.509) 2.068 6.826 ( 0.711 0.942 2.267) 2.556 7.063 ( -0.332 -1.129 -1.348) 1.790 7.244 ( -9.097 -7.134 1.847) 11.707 7.276 ( -7.172 -3.191 -1.856) 8.066 7.365 ( -7.908 -3.495 8.081) 11.834 7.439 ( -2.852 2.535 5.778) 6.924 7.551 ( -4.394 -3.707 -0.012) 5.748 7.762 ( 1.726 4.701 0.732) 5.061 7.775 ( -3.114 -3.535 1.495) 4.943 7.818 ( -3.413 -5.728 -1.488) 6.831 7.869 ( 0.080 1.037 -8.130) 8.196 8.073 ( -4.743 1.224 1.122) 5.025 8.200 ( -8.924 -2.404 0.214) 9.244 8.233 ( -1.349 -2.663 5.825) 6.545 8.264 ( 2.063 -4.162 -4.535) 6.492 8.456 ( -6.315 5.682 -0.036) 8.495 8.590 ( -9.432 6.039 2.953) 11.582 8.908 ( -9.004 3.508 -8.403) 12.806 9.063 ( -1.636 1.246 2.579) 3.299 9.097 ( 0.907 8.364 -8.140) 11.706 9.168 ( -5.794 2.343 2.465) 6.719 9.384 ( 0.628 7.015 0.496) 7.061 9.872 ( -5.484 -1.123 1.849) 5.896 9.957 ( -4.242 -0.102 -2.490) 4.920 10.037 ( -0.198 1.517 -1.453) 2.110 10.170 ( 2.172 1.691 1.468) 3.120 10.385 ( 0.955 1.783 2.901) 3.537 10.459 ( 3.129 1.277 1.288) 3.617 10.942 ( 1.557 2.550 -0.419) 3.017 11.035 ( 1.352 6.537 -0.127) 6.677 11.353 ( -0.366 0.173 -0.234) 0.467 11.513 ( -1.851 1.528 7.194) 7.584 11.629 ( 2.784 0.666 -6.042) 6.686 11.737 ( 4.403 8.741 -9.075) 13.347 11.888 ( 3.078 -1.262 1.886) 3.824 11.944 ( 4.899 -1.856 0.017) 5.239 12.215 ( 1.279 -1.901 -2.568) 3.442 12.279 ( 6.630 -4.608 4.960) 9.476 12.417 ( 7.099 2.112 7.392) 10.465 12.491 ( 3.316 5.158 1.083) 6.227 13.731 ( 2.428 4.460 6.165) 7.987 14.100 ( 14.663 3.934 0.996) 15.214 14.378 ( 4.495 5.739 -1.517) 7.446 14.517 ( 3.074 8.018 -7.438) 11.361 15.154 ( -13.769 -19.274 -5.989) 24.432 15.536 ( 0.299 -4.959 -1.372) 5.154 15.687 ( -4.000 -5.011 12.272) 13.846 15.836 ( 1.584 -7.448 -16.098) 17.808 16.403 ( -6.691 -8.230 -0.276) 10.610 16.930 ( 4.601 0.581 12.227) 13.077 17.743 ( -17.131 0.205 5.954) 18.137 17.895 ( -12.562 -6.970 -18.868) 23.714 18.838 ( -5.627 -3.144 1.309) 6.577 19.950 ( 32.319 12.454 26.830) 43.812 20.210 ( -16.516 -3.194 -12.833) 21.158 21.194 ( 16.951 0.082 1.694) 17.035 21.750 ( -2.759 2.477 0.291) 3.719 21.872 ( 0.614 1.029 0.285) 1.232 22.098 ( 0.340 2.664 0.135) 2.689 22.135 ( 1.636 5.975 -0.123) 6.197 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -24.095 3.935 10.614) 26.622 1.101 ( 2.445 25.693 16.838) 30.816 1.534 ( -8.806 6.383 1.736) 11.014 1.586 ( -2.137 13.407 -11.915) 18.064 1.616 ( -17.417 2.324 -12.678) 21.668 1.893 ( -6.792 10.077 -11.105) 16.462 1.969 ( -8.804 10.971 30.208) 33.323 2.373 ( 2.809 4.603 -3.310) 6.327 2.742 ( 8.214 -3.428 3.868) 9.705 2.927 ( 0.940 0.757 1.088) 1.625 3.064 ( 13.403 7.479 2.231) 15.510 3.154 ( 5.551 -1.632 -7.347) 9.351 3.305 ( 2.763 -5.408 -7.655) 9.771 3.376 ( -5.530 -1.258 4.581) 7.290 3.538 ( -1.364 6.108 -0.117) 6.260 3.695 ( -7.591 5.345 0.357) 9.291 3.709 ( -7.355 3.761 -0.068) 8.261 3.764 ( -4.696 9.248 3.215) 10.859 4.234 ( 3.156 -7.916 -4.139) 9.474 4.275 ( 0.734 -3.351 -3.528) 4.921 4.363 ( 5.900 -7.881 -1.882) 10.023 4.524 ( 2.355 -6.135 -9.157) 11.271 4.865 ( 1.874 -2.115 13.287) 13.584 5.118 ( 9.982 -0.655 -5.936) 11.632 5.273 ( -0.866 -3.421 -2.193) 4.155 5.320 ( 10.347 -5.292 1.853) 11.769 5.499 ( 7.083 -0.127 -5.097) 8.727 5.642 ( 0.368 -6.053 -2.374) 6.513 5.715 ( 15.834 4.792 2.796) 16.778 5.887 ( 5.724 -3.038 2.823) 7.069 6.004 ( 5.314 -3.771 -2.185) 6.872 6.158 ( -3.833 -0.803 -6.310) 7.426 6.402 ( -0.808 -16.054 -0.964) 16.103 6.476 ( 12.687 1.872 1.625) 12.926 6.574 ( 7.433 -2.093 4.255) 8.817 6.657 ( -1.355 0.002 -8.081) 8.194 6.892 ( 1.933 1.972 2.630) 3.813 6.990 ( -7.410 -8.324 -3.321) 11.628 7.071 ( -7.991 -2.246 -1.329) 8.406 7.101 ( -8.913 -3.451 2.564) 9.896 7.261 ( -7.299 -5.298 3.361) 9.625 7.389 ( -7.875 -1.053 3.402) 8.643 7.477 ( -4.073 3.208 5.844) 7.812 7.656 ( -7.053 -7.334 0.255) 10.178 7.733 ( -7.070 -1.330 -1.322) 7.314 7.788 ( -2.598 -1.353 2.357) 3.760 7.822 ( -2.522 2.849 -8.016) 8.874 7.924 ( -3.670 0.268 -4.788) 6.039 8.078 ( -5.679 5.205 -0.399) 7.713 8.144 ( -9.192 -0.072 3.695) 9.907 8.271 ( 0.526 6.222 -2.141) 6.601 8.389 ( -2.364 9.236 -2.858) 9.953 8.465 ( -2.103 6.837 2.107) 7.457 8.701 ( -7.115 9.813 -0.570) 12.134 8.964 ( -6.473 2.776 -0.533) 7.063 9.011 ( -2.894 -0.819 -2.688) 4.034 9.229 ( 4.746 3.334 2.052) 6.153 9.390 ( -0.295 6.006 -0.257) 6.018 9.803 ( -3.248 -1.498 2.630) 4.440 9.884 ( -0.498 -0.639 -4.154) 4.232 10.059 ( 1.488 1.125 2.095) 2.805 10.183 ( -0.743 1.734 -0.743) 2.028 10.428 ( 0.748 4.103 5.748) 7.101 10.530 ( 3.443 1.782 0.695) 3.939 10.978 ( 1.537 3.538 0.772) 3.934 11.038 ( 0.338 8.044 -2.122) 8.326 11.395 ( 3.495 -2.030 1.964) 4.494 11.503 ( -3.386 -0.119 6.294) 7.148 11.630 ( 2.129 -0.577 -8.140) 8.433 11.726 ( 0.943 7.564 -11.653) 13.924 11.959 ( 4.075 -0.791 -1.344) 4.363 12.023 ( 2.420 -0.313 0.463) 2.483 12.220 ( 1.465 0.657 1.481) 2.185 12.415 ( 1.498 -2.236 2.066) 3.393 12.536 ( 4.392 0.044 7.574) 8.755 12.680 ( 12.730 2.191 2.125) 13.090 13.898 ( 6.843 5.007 17.642) 19.574 14.326 ( 10.087 -1.326 -2.233) 10.416 14.498 ( 4.023 8.553 -4.329) 10.396 14.554 ( 12.696 3.217 -6.770) 14.744 14.808 ( -18.871 -17.465 -6.263) 26.465 15.305 ( -17.643 -2.562 -13.402) 22.304 15.682 ( -5.543 -4.129 15.331) 16.817 15.892 ( 10.128 -3.088 -10.836) 15.151 16.387 ( 1.763 -14.204 9.198) 17.014 16.948 ( -10.206 -6.525 5.809) 13.435 17.454 ( -12.437 11.910 0.854) 17.241 17.580 ( -8.523 8.342 -13.716) 18.176 18.886 ( 4.354 -12.101 14.101) 19.085 19.810 ( -15.880 -6.214 -16.487) 23.719 20.718 ( 29.340 -3.480 24.990) 38.697 21.418 ( 6.868 -1.538 -3.823) 8.009 21.753 ( 3.794 5.337 -0.413) 6.562 21.906 ( 3.675 4.304 -1.829) 5.947 22.102 ( 0.243 1.919 -0.048) 1.935 22.155 ( 0.524 6.612 -0.896) 6.693 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 3.611 5.252 14.789) 16.104 1.296 ( -5.823 1.197 -14.381) 15.562 1.555 ( 1.315 7.581 11.147) 13.544 1.680 ( 2.836 8.285 0.702) 8.785 1.860 ( 0.294 15.918 2.260) 16.081 2.042 ( -1.740 15.482 -13.242) 20.447 2.412 ( 3.019 13.577 3.785) 14.414 2.468 ( -1.297 8.110 -3.985) 9.128 2.741 ( -5.368 5.145 16.505) 18.103 3.016 ( -3.622 -1.575 -7.779) 8.724 3.074 ( 1.172 1.082 2.275) 2.778 3.147 ( 1.959 0.191 -6.300) 6.600 3.502 ( 6.274 2.640 5.363) 8.666 3.572 ( -13.732 6.356 3.039) 15.434 3.633 ( 8.514 5.943 1.242) 10.457 3.715 ( 3.880 7.673 -0.774) 8.633 3.786 ( -4.893 9.611 1.870) 10.946 3.861 ( 2.688 6.338 -4.184) 8.056 4.065 ( 2.416 -3.625 4.718) 6.422 4.165 ( -4.800 1.236 -6.388) 8.085 4.357 ( 1.877 -1.864 2.243) 3.468 4.408 ( -2.540 -2.216 -3.087) 4.570 4.872 ( 7.535 -8.215 4.443) 12.000 5.009 ( -6.728 -10.010 -7.247) 14.071 5.203 ( 3.544 -5.128 4.308) 7.577 5.318 ( 2.419 -6.329 -7.269) 9.937 5.497 ( -7.182 -4.186 0.068) 8.313 5.549 ( -0.269 -2.349 -5.640) 6.116 5.701 ( 6.492 -7.067 2.705) 9.970 5.819 ( -3.438 -12.185 -9.460) 15.805 6.004 ( 5.915 -0.318 7.065) 9.220 6.114 ( -6.659 -3.053 -3.783) 8.244 6.338 ( -3.325 -9.008 2.792) 9.999 6.409 ( 6.040 -8.872 -3.626) 11.328 6.496 ( -2.010 2.019 9.085) 9.521 6.643 ( -3.406 -3.891 -4.147) 6.629 6.734 ( 0.366 -7.493 -1.571) 7.664 6.767 ( 3.342 -4.742 -4.680) 7.453 6.897 ( -5.639 -6.036 9.195) 12.361 7.024 ( 4.883 -1.847 -3.428) 6.245 7.226 ( -2.339 1.224 6.184) 6.724 7.308 ( 8.915 -0.779 -0.921) 8.996 7.401 ( -3.013 -1.517 -0.336) 3.390 7.434 ( -0.319 -4.673 -4.439) 6.453 7.704 ( 2.005 4.131 9.389) 10.452 7.789 ( -2.331 4.906 1.009) 5.525 7.859 ( -0.384 4.440 -1.170) 4.608 7.951 ( -3.311 4.488 -6.447) 8.525 8.104 ( -2.507 4.481 1.566) 5.368 8.157 ( 2.599 0.239 0.122) 2.613 8.416 ( -0.282 3.215 3.889) 5.054 8.482 ( -0.484 5.289 -2.856) 6.031 8.758 ( 1.837 9.284 4.178) 10.345 8.856 ( -2.367 13.435 -6.592) 15.151 8.933 ( -1.407 7.923 2.844) 8.535 9.011 ( 2.000 4.118 -3.048) 5.500 9.418 ( 5.038 3.208 2.233) 6.376 9.489 ( -4.490 8.186 -2.979) 9.800 9.781 ( 0.206 0.928 1.295) 1.606 9.842 ( 0.794 0.186 -4.490) 4.563 10.133 ( 0.226 2.735 4.441) 5.220 10.216 ( 0.556 3.384 -4.030) 5.292 10.513 ( -0.473 -0.869 5.873) 5.956 10.585 ( 0.390 -1.060 -1.167) 1.624 11.103 ( 1.657 4.230 3.027) 5.459 11.144 ( -1.978 4.211 -0.879) 4.735 11.450 ( -3.099 -1.201 4.396) 5.511 11.476 ( 2.205 0.782 11.265) 11.505 11.594 ( 2.079 -1.508 -8.656) 9.029 11.734 ( -2.038 1.201 -11.441) 11.683 11.959 ( 1.273 -3.173 -2.387) 4.170 11.978 ( -1.198 -4.362 -2.539) 5.188 12.341 ( 0.840 4.039 7.520) 8.578 12.414 ( -1.872 2.084 0.302) 2.818 12.591 ( -1.650 -0.936 7.380) 7.620 12.797 ( 2.772 -1.786 -11.622) 12.081 14.094 ( 5.814 -11.627 8.512) 15.538 14.172 ( -5.083 -13.604 -1.343) 14.585 14.521 ( 4.824 11.501 10.016) 15.996 14.792 ( -3.059 2.556 1.792) 4.370 14.816 ( 5.449 7.352 -13.727) 16.498 14.837 ( -7.904 1.937 -7.918) 11.354 15.654 ( -3.454 2.217 13.941) 14.533 15.836 ( -0.835 -3.278 -2.488) 4.199 16.463 ( 11.014 -1.482 3.335) 11.602 16.508 ( -7.131 -8.769 -0.665) 11.322 17.643 ( -5.016 10.334 5.313) 12.656 17.780 ( 6.139 14.026 -8.827) 17.673 18.831 ( 7.226 -13.162 21.049) 25.855 19.245 ( -9.607 -14.947 -22.994) 29.059 21.053 ( 5.145 -0.320 19.295) 19.972 21.350 ( -2.584 -1.056 -12.035) 12.355 21.824 ( -0.766 -1.371 4.082) 4.373 21.922 ( 0.591 -3.543 -5.678) 6.719 22.188 ( 0.751 3.584 1.609) 4.000 22.254 ( -0.431 3.077 -6.593) 7.288 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.983 1.129 -6.820) 12.977 1.384 ( 20.089 3.257 12.284) 23.771 1.695 ( 7.458 9.593 3.728) 12.710 1.732 ( 5.666 9.228 -7.631) 13.247 1.901 ( 0.858 17.862 -4.544) 18.451 2.051 ( 9.223 14.322 1.140) 17.073 2.308 ( -7.279 4.122 -2.208) 8.651 2.522 ( 1.699 5.721 -1.961) 6.282 2.760 ( -2.465 10.939 20.238) 23.137 2.806 ( -12.987 0.169 1.119) 13.036 3.087 ( -3.982 2.306 -2.956) 5.469 3.120 ( -2.811 -1.960 -2.190) 4.067 3.331 ( -8.508 5.794 -3.261) 10.798 3.500 ( -5.206 1.231 0.459) 5.370 3.666 ( -4.788 9.273 4.121) 11.221 3.796 ( 7.546 1.873 -2.453) 8.153 3.850 ( 0.671 0.514 -3.807) 3.899 3.910 ( 2.994 1.649 0.112) 3.420 4.023 ( -1.791 -2.481 0.489) 3.099 4.172 ( -2.243 -0.611 3.805) 4.459 4.306 ( 1.641 5.789 -3.977) 7.213 4.365 ( -4.257 0.252 2.072) 4.741 4.862 ( -5.308 -13.544 -6.218) 15.820 4.990 ( -0.206 -4.554 3.476) 5.733 5.195 ( -8.017 -7.576 -0.947) 11.071 5.231 ( -2.712 -3.974 -0.632) 4.852 5.406 ( -3.776 -3.758 -2.373) 5.832 5.477 ( -0.752 -1.533 1.156) 2.062 5.707 ( -3.039 -6.457 -1.252) 7.245 5.904 ( -7.266 1.433 -3.979) 8.407 5.920 ( 8.192 -11.385 -0.687) 14.043 6.045 ( -4.394 0.676 4.928) 6.637 6.269 ( -6.568 -1.337 -5.813) 8.872 6.420 ( -2.127 -12.694 2.863) 13.186 6.515 ( -1.938 1.228 8.590) 8.891 6.688 ( 12.192 -3.285 2.890) 12.953 6.695 ( 4.758 -0.298 -9.544) 10.668 6.863 ( -1.676 -6.439 5.898) 8.891 6.906 ( 3.836 -2.420 -1.612) 4.814 7.184 ( 9.502 -5.307 -2.516) 11.171 7.238 ( 3.297 -1.489 -2.397) 4.340 7.353 ( 3.183 -2.477 2.955) 5.000 7.471 ( 4.427 -4.099 -2.858) 6.676 7.531 ( 10.419 -9.382 -2.635) 14.266 7.727 ( -3.587 4.672 1.242) 6.020 7.814 ( -1.812 0.053 -4.613) 4.957 7.832 ( 4.562 7.542 6.221) 10.788 7.940 ( 3.497 4.933 4.056) 7.282 8.039 ( -4.878 1.459 1.650) 5.352 8.233 ( 2.786 0.904 0.558) 2.982 8.375 ( -1.189 4.850 0.047) 4.994 8.543 ( 4.467 4.004 0.910) 6.068 8.735 ( -2.931 9.794 -3.691) 10.870 8.892 ( 6.490 7.502 9.709) 13.880 8.969 ( 3.293 10.527 -4.877) 12.060 9.083 ( 6.793 5.498 -2.433) 9.071 9.367 ( -5.589 7.244 -4.977) 10.416 9.510 ( 3.080 3.966 3.500) 6.121 9.821 ( 3.002 1.583 2.222) 4.056 9.863 ( 4.154 0.274 -4.512) 6.139 10.131 ( -1.826 3.147 0.656) 3.697 10.224 ( 1.980 2.523 -2.416) 4.015 10.503 ( -3.731 -0.525 3.559) 5.183 10.561 ( -1.495 0.036 -1.696) 2.261 11.073 ( -4.133 4.020 -0.945) 5.843 11.139 ( -0.412 3.678 2.166) 4.288 11.435 ( -1.835 -0.363 6.148) 6.427 11.538 ( -2.795 0.664 -7.227) 7.777 11.583 ( 1.334 0.957 11.189) 11.309 11.673 ( 3.207 0.392 -10.214) 10.713 11.922 ( -2.391 -3.851 -2.388) 5.123 11.961 ( -0.975 -4.836 0.581) 4.968 12.314 ( -6.581 3.902 -1.910) 7.885 12.362 ( -4.478 2.333 7.786) 9.280 12.596 ( -3.492 -2.229 5.865) 7.180 12.704 ( -4.441 -0.330 -9.420) 10.420 14.076 ( -3.989 -8.229 -5.128) 10.484 14.269 ( 6.414 -14.190 4.455) 16.197 14.433 ( -14.413 4.497 -2.837) 15.362 14.649 ( 1.553 8.550 2.554) 9.058 14.851 ( 4.544 16.155 -9.752) 19.410 14.968 ( 8.561 -5.826 8.588) 13.453 15.642 ( -7.144 6.730 13.256) 16.494 15.816 ( -0.159 -8.188 -2.532) 8.572 16.276 ( -8.428 -5.814 -4.599) 11.224 16.810 ( 17.772 -8.680 -0.799) 19.795 17.632 ( 0.429 10.217 5.595) 11.657 17.894 ( 11.333 15.236 -8.623) 20.855 18.895 ( -8.865 -11.789 -9.858) 17.741 19.212 ( 14.016 -17.903 13.706) 26.548 21.057 ( -14.157 2.483 -6.008) 15.579 21.224 ( -3.479 -2.514 3.247) 5.381 21.809 ( -2.690 0.371 1.921) 3.326 21.880 ( -1.267 -2.971 -2.399) 4.024 22.174 ( -1.384 4.107 -0.550) 4.369 22.246 ( 0.980 2.942 -0.608) 3.160 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 9.926 1.909 -2.351) 10.377 1.727 ( 3.792 5.504 3.540) 7.563 1.779 ( 6.251 15.054 -10.648) 19.470 1.868 ( 9.664 10.783 2.855) 14.759 1.935 ( 7.434 13.573 0.666) 15.490 2.180 ( -0.391 5.320 1.094) 5.446 2.257 ( 4.036 7.382 -1.338) 8.519 2.531 ( 3.126 2.599 1.242) 4.251 2.604 ( -8.492 5.766 4.567) 11.235 2.883 ( -7.402 -1.059 -0.611) 7.502 2.955 ( 6.457 2.106 13.738) 15.325 3.058 ( -3.238 -0.532 2.807) 4.318 3.207 ( -3.612 5.709 -8.155) 10.590 3.413 ( -3.992 -2.833 -1.499) 5.119 3.618 ( -7.399 3.218 1.874) 8.284 3.707 ( -10.509 -3.697 2.948) 11.524 3.808 ( -4.349 -5.490 -4.046) 8.089 3.888 ( 0.328 -3.089 -1.335) 3.381 4.053 ( 0.829 -0.417 -2.298) 2.478 4.192 ( -0.561 4.923 2.728) 5.657 4.242 ( 1.273 -0.310 2.058) 2.440 4.416 ( 2.159 5.121 -1.235) 5.693 4.687 ( -10.498 -8.637 -4.396) 14.287 4.918 ( -3.617 -6.957 0.745) 7.876 4.993 ( -12.152 -6.822 -4.383) 14.609 5.253 ( 2.785 1.096 5.077) 5.894 5.302 ( -6.744 3.142 0.086) 7.441 5.512 ( 0.767 -2.492 1.781) 3.158 5.685 ( 3.275 -1.177 0.326) 3.496 5.824 ( -0.342 -1.083 -4.327) 4.474 5.913 ( -4.054 -2.172 -2.616) 5.291 6.041 ( -2.498 -7.914 0.272) 8.304 6.191 ( 2.589 2.787 1.447) 4.070 6.395 ( -0.539 -3.676 -4.939) 6.180 6.565 ( 0.605 2.596 9.822) 10.177 6.703 ( 3.577 6.102 -6.549) 9.639 6.891 ( 1.169 -2.577 6.811) 7.376 6.953 ( 3.070 -2.045 -2.530) 4.473 6.980 ( 11.155 -6.979 5.477) 14.252 7.198 ( 1.809 -5.104 -5.094) 7.435 7.368 ( 7.386 -6.656 0.470) 9.954 7.474 ( 1.477 -5.466 3.266) 6.536 7.526 ( 3.906 -9.990 -1.216) 10.796 7.592 ( 0.669 -4.687 -6.810) 8.294 7.711 ( 0.467 -6.910 -3.374) 7.704 7.777 ( 3.668 3.319 -5.476) 7.379 7.920 ( -0.809 -4.275 4.476) 6.242 7.962 ( -2.471 2.938 2.479) 4.570 8.098 ( 7.897 4.286 10.604) 13.899 8.239 ( -1.482 4.484 1.575) 4.978 8.377 ( 0.689 2.156 -6.135) 6.539 8.604 ( -0.125 4.357 2.445) 4.998 8.742 ( 5.008 5.680 1.857) 7.797 8.964 ( -0.263 4.823 -3.004) 5.688 9.109 ( 9.644 8.556 3.628) 13.393 9.181 ( 3.563 5.846 -2.608) 7.326 9.275 ( 0.538 10.736 -0.561) 10.764 9.586 ( 3.587 4.802 1.852) 6.274 9.911 ( 4.900 1.834 1.803) 5.534 9.923 ( 4.286 1.789 -2.450) 5.251 10.094 ( -1.490 2.652 -1.626) 3.449 10.225 ( -0.682 0.479 -2.675) 2.802 10.441 ( -3.821 1.108 1.392) 4.215 10.525 ( -1.385 2.944 -1.108) 3.437 10.994 ( -3.327 2.616 -0.563) 4.269 11.117 ( -3.052 2.417 1.312) 4.108 11.446 ( 0.419 3.093 0.958) 3.265 11.472 ( -1.098 -1.578 0.626) 2.021 11.650 ( -1.043 2.463 10.914) 11.237 11.694 ( 3.905 0.493 -6.895) 7.939 11.880 ( -0.126 -4.698 -3.816) 6.054 11.931 ( -2.418 -3.419 0.278) 4.197 12.177 ( -7.928 2.616 1.120) 8.423 12.256 ( -9.467 -1.176 0.363) 9.547 12.518 ( -5.027 -0.364 -1.775) 5.343 12.592 ( -4.761 3.827 0.283) 6.115 13.900 ( -8.828 -0.480 -5.879) 10.617 14.217 ( -6.865 2.769 -2.523) 7.821 14.422 ( 5.478 -8.458 2.116) 10.297 14.651 ( -0.061 6.717 -6.832) 9.581 14.935 ( 9.292 9.794 -0.737) 13.520 15.181 ( 5.091 -7.916 15.561) 18.186 15.561 ( -8.386 8.348 9.979) 15.479 15.778 ( -2.059 -10.558 -4.302) 11.585 16.167 ( -0.921 -7.269 -0.659) 7.356 17.023 ( 7.030 -13.445 -12.308) 19.537 17.724 ( 4.699 7.648 8.370) 12.273 18.067 ( 12.654 12.416 -10.117) 20.412 18.748 ( -0.403 -5.641 -0.834) 5.717 19.575 ( 13.361 -20.934 13.838) 28.429 20.654 ( -18.283 10.822 -14.166) 25.535 21.123 ( -11.806 -2.796 4.857) 13.069 21.785 ( 0.101 1.001 -0.051) 1.008 21.855 ( -0.874 -2.365 -0.310) 2.541 22.163 ( 0.053 4.258 0.758) 4.325 22.250 ( -0.411 4.068 -0.068) 4.089 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.372 10.713 -0.586) 11.585 1.656 ( -7.169 8.744 -1.704) 11.435 1.851 ( 5.423 11.455 -4.009) 13.293 1.936 ( 0.149 9.318 -2.869) 9.751 2.083 ( 3.331 7.872 1.521) 8.682 2.234 ( -0.749 11.449 -1.082) 11.524 2.286 ( 3.239 -0.427 8.037) 8.676 2.467 ( -1.484 3.619 2.060) 4.421 2.724 ( 0.608 4.274 4.198) 6.022 2.794 ( 6.571 -2.817 -2.985) 7.747 3.075 ( -1.452 1.478 -0.846) 2.238 3.094 ( 5.155 0.937 -1.953) 5.592 3.232 ( -2.146 -1.771 5.730) 6.370 3.305 ( -2.679 -4.840 -2.848) 6.222 3.375 ( -6.796 -2.788 4.249) 8.486 3.551 ( -8.756 -4.201 2.935) 10.145 3.802 ( 3.746 -3.270 -1.221) 5.120 3.941 ( 1.591 -4.056 -0.671) 4.408 3.969 ( -2.052 0.992 -0.719) 2.390 4.177 ( -2.477 3.775 -1.277) 4.692 4.300 ( 0.728 -2.297 -0.171) 2.415 4.398 ( -4.354 -5.169 1.620) 6.950 4.520 ( -0.072 -0.216 -2.049) 2.061 4.748 ( -9.167 -9.019 -8.287) 15.298 4.955 ( 5.194 3.222 3.077) 6.843 5.161 ( -6.571 6.472 -2.641) 9.593 5.369 ( 5.093 0.667 6.387) 8.196 5.529 ( -1.250 -4.224 5.853) 7.326 5.703 ( -4.289 11.782 3.141) 12.925 5.828 ( -0.146 -2.650 -4.667) 5.368 5.870 ( 6.575 -11.099 -8.447) 15.420 5.957 ( -3.105 -0.877 -6.978) 7.688 6.266 ( 0.059 1.414 7.358) 7.493 6.367 ( 2.154 0.296 -6.716) 7.059 6.642 ( 2.417 3.451 7.619) 8.707 6.770 ( 4.158 4.983 4.489) 7.891 6.889 ( -4.068 5.650 -6.362) 9.431 6.995 ( 3.483 -3.302 5.168) 7.053 7.119 ( 0.732 -7.194 0.974) 7.297 7.243 ( 4.185 -9.259 -3.253) 10.669 7.458 ( -2.666 -8.204 3.295) 9.235 7.476 ( -2.445 -8.073 6.925) 10.914 7.532 ( 1.002 -7.854 -5.271) 9.512 7.610 ( 2.863 -6.316 -0.416) 6.947 7.671 ( 3.839 -4.936 -11.543) 13.128 7.773 ( -2.793 -4.381 -3.599) 6.320 7.953 ( 2.338 -4.132 7.281) 8.692 7.983 ( 0.660 2.908 4.704) 5.570 8.210 ( -2.627 5.620 0.591) 6.232 8.292 ( -0.279 4.079 3.440) 5.343 8.342 ( 8.206 -2.242 -4.886) 9.811 8.550 ( -6.133 2.815 0.096) 6.749 8.866 ( 2.632 0.975 4.942) 5.683 8.929 ( 1.090 1.889 -4.693) 5.175 9.164 ( -0.633 10.297 0.926) 10.358 9.257 ( 4.701 7.026 -4.548) 9.600 9.386 ( 5.033 10.418 8.463) 14.335 9.636 ( 1.377 8.268 -3.605) 9.124 9.966 ( 1.814 0.313 -0.890) 2.045 9.997 ( 1.226 1.189 1.900) 2.555 10.081 ( 1.438 2.204 0.037) 2.632 10.180 ( -1.778 0.784 -3.102) 3.660 10.404 ( -0.727 2.754 1.983) 3.471 10.488 ( -2.027 3.897 -2.275) 4.946 10.971 ( 1.285 1.679 0.545) 2.184 11.050 ( -4.399 1.162 0.117) 4.552 11.472 ( -1.860 0.751 6.631) 6.928 11.497 ( 5.521 0.910 -2.168) 6.001 11.686 ( 1.244 1.187 1.205) 2.100 11.727 ( 0.232 4.151 5.352) 6.777 11.801 ( -6.017 -2.091 -5.323) 8.301 11.935 ( 4.255 1.605 -3.547) 5.767 12.052 ( -5.619 -3.827 2.703) 7.316 12.086 ( -5.611 -3.726 -5.365) 8.611 12.456 ( -0.541 2.004 0.191) 2.085 12.505 ( -5.168 3.517 0.887) 6.314 13.796 ( -0.675 4.383 3.045) 5.379 14.065 ( -5.466 4.923 -10.457) 12.785 14.503 ( 1.335 -2.584 2.607) 3.906 14.621 ( 2.486 2.827 -8.650) 9.434 15.116 ( 5.910 7.308 8.730) 12.827 15.290 ( -1.773 -8.515 9.902) 13.179 15.493 ( -2.694 3.125 5.099) 6.559 15.702 ( -1.737 -10.889 -7.131) 13.131 16.253 ( 6.073 -9.722 12.291) 16.807 16.902 ( -7.402 -12.802 -21.633) 26.205 17.858 ( 2.650 3.749 10.075) 11.072 18.165 ( 5.042 3.399 -14.836) 16.033 18.942 ( 15.449 4.615 16.594) 23.137 19.652 ( -12.217 -14.578 -6.222) 20.012 20.473 ( 8.797 9.450 0.172) 12.912 20.865 ( -16.395 -1.888 -1.933) 16.616 21.806 ( 1.652 -0.263 0.075) 1.674 21.837 ( -1.103 -1.636 -0.192) 1.983 22.178 ( 0.590 4.871 1.868) 5.250 22.234 ( -0.693 4.741 -1.161) 4.930 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -9.481 9.268 6.909) 14.950 1.688 ( 2.059 17.965 -0.898) 18.105 1.877 ( 0.069 3.441 -4.742) 5.860 1.903 ( 0.186 7.339 -1.765) 7.550 2.056 ( -7.802 9.827 3.353) 12.988 2.247 ( 5.690 11.637 -2.384) 13.171 2.397 ( -0.268 -0.178 -0.737) 0.804 2.487 ( 6.116 -0.597 -0.706) 6.186 2.732 ( -4.778 2.223 3.677) 6.426 2.804 ( -2.975 3.085 -5.766) 7.184 2.953 ( -10.237 8.512 6.255) 14.709 3.050 ( -6.602 4.601 4.590) 9.264 3.188 ( 3.867 -5.802 7.516) 10.252 3.380 ( -1.812 -11.622 -5.580) 13.019 3.427 ( 10.925 -4.066 0.196) 11.659 3.569 ( 8.857 -2.862 0.129) 9.309 3.835 ( -0.893 -2.224 -3.880) 4.561 3.922 ( 6.742 -2.736 -2.390) 7.658 4.066 ( -1.304 4.664 0.152) 4.845 4.119 ( 3.976 -1.568 -0.051) 4.274 4.246 ( -5.721 -3.741 4.614) 8.247 4.411 ( 7.749 -4.614 -2.070) 9.253 4.567 ( -4.264 -7.374 -6.538) 10.738 4.644 ( 8.872 -0.313 2.268) 9.163 5.028 ( -4.067 3.897 -4.111) 6.973 5.117 ( 9.414 6.488 1.561) 11.539 5.491 ( -4.719 -4.596 -2.276) 6.970 5.503 ( 4.138 -1.474 7.142) 8.385 5.663 ( -1.926 7.581 7.777) 11.030 5.764 ( -6.172 -7.769 1.249) 10.001 5.888 ( 4.226 9.433 -14.028) 17.425 5.953 ( 5.781 -8.708 -5.330) 11.732 6.267 ( -2.309 1.102 4.144) 4.870 6.396 ( 3.567 -0.361 -4.818) 6.006 6.722 ( -4.087 6.261 -1.181) 7.570 6.771 ( 0.789 3.375 3.118) 4.662 6.837 ( -3.534 2.467 6.030) 7.412 7.032 ( 3.890 0.701 -7.864) 8.801 7.139 ( -1.571 -9.816 7.918) 12.709 7.222 ( -3.695 -12.379 -6.131) 14.300 7.372 ( -11.011 -5.250 13.037) 17.854 7.442 ( -3.786 -7.091 -1.430) 8.164 7.504 ( 3.253 -7.130 0.677) 7.866 7.620 ( -5.469 -8.434 -5.515) 11.465 7.716 ( 2.645 -7.624 0.779) 8.107 7.759 ( 6.101 -3.174 -7.171) 9.936 7.993 ( -1.501 -3.665 4.727) 6.167 8.044 ( 1.240 2.817 -0.256) 3.088 8.168 ( -1.614 2.263 5.417) 6.089 8.218 ( -3.555 3.226 -1.055) 4.915 8.413 ( -6.208 3.455 -2.312) 7.472 8.524 ( 7.396 1.205 0.780) 7.534 8.837 ( -4.997 2.777 3.172) 6.538 8.980 ( 3.637 0.283 -4.833) 6.055 9.153 ( -2.924 7.912 4.197) 9.421 9.255 ( -0.391 6.912 -7.413) 10.143 9.494 ( 0.302 11.211 8.585) 14.124 9.580 ( -2.837 10.828 -8.368) 13.976 9.962 ( -3.966 0.343 0.559) 4.020 9.975 ( -2.114 -1.585 3.140) 4.103 10.132 ( -1.224 2.733 -5.062) 5.881 10.139 ( 3.277 2.272 1.603) 4.298 10.426 ( -0.920 3.132 0.432) 3.293 10.446 ( 1.233 2.797 1.147) 3.265 10.983 ( -1.908 1.253 -0.596) 2.359 11.037 ( 4.470 1.427 1.445) 4.909 11.441 ( -5.221 0.055 3.665) 6.379 11.593 ( 5.014 0.707 -5.107) 7.192 11.632 ( -6.646 3.495 1.495) 7.657 11.740 ( 4.617 -1.381 1.143) 4.953 11.803 ( 1.008 1.583 8.359) 8.567 11.949 ( 1.517 5.133 -11.090) 12.314 12.040 ( 3.450 -6.896 -0.141) 7.712 12.081 ( 7.725 -3.107 -1.210) 8.413 12.431 ( -2.901 3.062 2.241) 4.777 12.500 ( 3.990 3.044 1.870) 5.356 13.840 ( -2.091 5.425 1.910) 6.120 13.981 ( 7.416 5.531 -5.631) 10.830 14.504 ( -2.605 0.679 2.190) 3.470 14.622 ( 2.628 -1.164 -8.165) 8.656 15.137 ( -9.786 2.511 7.181) 12.395 15.340 ( 4.378 -2.449 4.864) 6.987 15.523 ( 0.591 -6.597 6.003) 8.939 15.669 ( 4.400 -3.330 -8.493) 10.128 16.444 ( -2.642 -14.125 14.521) 20.430 16.613 ( -3.813 -10.500 -13.734) 17.703 17.914 ( -3.573 2.363 10.973) 11.780 18.095 ( -2.317 4.066 -14.651) 15.380 19.173 ( -19.121 1.539 -1.309) 19.228 19.467 ( 18.580 -3.882 6.517) 20.068 20.544 ( -14.342 1.782 -6.039) 15.663 20.810 ( 21.137 1.003 3.484) 21.446 21.805 ( -1.889 -0.520 0.186) 1.968 21.836 ( 1.114 -1.489 -0.117) 1.863 22.193 ( -0.675 5.058 1.137) 5.228 22.226 ( 1.357 4.764 -1.113) 5.077 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -8.389 5.947 6.695) 12.271 1.586 ( -12.449 15.447 8.044) 21.408 1.808 ( -8.007 1.174 -2.666) 8.521 1.914 ( 3.397 10.996 -5.029) 12.559 1.936 ( -9.476 4.668 2.488) 10.853 2.191 ( -2.959 12.681 0.073) 13.022 2.367 ( -6.948 11.306 -11.087) 17.292 2.553 ( 3.749 0.337 -1.006) 3.896 2.636 ( -3.662 14.142 -1.329) 14.669 2.823 ( 12.136 -3.292 5.583) 13.759 2.966 ( -0.558 4.863 6.801) 8.380 3.042 ( 3.672 3.810 6.181) 8.137 3.262 ( -1.201 -5.664 -9.955) 11.517 3.318 ( 3.878 -2.058 7.742) 8.900 3.657 ( 3.372 2.533 -1.160) 4.374 3.696 ( 10.310 -9.302 4.802) 14.693 3.825 ( 3.316 0.573 -6.801) 7.588 3.944 ( -5.324 3.545 -4.501) 7.822 4.048 ( 4.811 -6.604 -2.482) 8.539 4.166 ( -1.075 2.725 1.908) 3.496 4.291 ( 4.643 0.001 4.060) 6.168 4.446 ( -1.345 -3.404 -6.396) 7.369 4.605 ( 9.019 -5.307 0.542) 10.479 4.862 ( 10.318 -3.721 3.896) 11.640 4.987 ( 4.917 -3.886 -2.519) 6.755 5.315 ( 4.737 2.898 -1.575) 5.772 5.383 ( 3.258 0.179 -6.151) 6.963 5.582 ( 0.743 -1.458 0.356) 1.675 5.645 ( -4.522 -13.898 4.577) 15.315 5.702 ( -0.003 5.197 4.755) 7.044 5.935 ( 6.636 4.471 -6.827) 10.518 6.042 ( 6.974 -2.934 -1.569) 7.727 6.264 ( -0.726 -2.804 -1.620) 3.319 6.386 ( -0.902 -0.600 -5.396) 5.504 6.580 ( -6.087 4.208 1.849) 7.627 6.736 ( -4.815 0.289 -2.717) 5.536 6.870 ( 2.571 2.871 4.123) 5.644 7.048 ( -10.416 -10.163 -1.406) 14.620 7.059 ( -0.565 -1.522 -6.225) 6.433 7.122 ( -4.524 -8.023 2.737) 9.608 7.243 ( -8.628 -5.406 11.763) 15.557 7.396 ( -7.998 -10.939 -2.406) 13.762 7.459 ( -0.706 -2.606 4.341) 5.112 7.607 ( 2.199 -10.727 3.576) 11.519 7.681 ( -5.496 -5.129 -3.833) 8.439 7.791 ( 0.152 1.364 -3.428) 3.692 7.965 ( -1.112 -5.289 3.137) 6.249 8.011 ( -2.241 2.708 -3.917) 5.263 8.192 ( -1.444 1.841 5.048) 5.564 8.234 ( 3.519 2.325 1.647) 4.528 8.303 ( -3.660 6.523 -3.351) 8.196 8.608 ( 0.328 7.894 2.941) 8.431 8.762 ( -3.444 6.409 -0.467) 7.291 8.952 ( -4.336 0.945 -2.907) 5.305 9.099 ( -4.619 5.311 1.894) 7.289 9.208 ( 0.324 4.215 -5.146) 6.660 9.380 ( -8.392 13.108 -7.803) 17.411 9.564 ( -0.539 9.773 4.199) 10.650 9.873 ( -5.248 1.070 0.797) 5.415 9.954 ( -2.554 0.267 0.952) 2.739 10.077 ( -0.824 2.518 -2.461) 3.616 10.200 ( 2.605 1.547 0.367) 3.052 10.426 ( 0.907 2.068 1.930) 2.970 10.496 ( 2.095 2.026 2.572) 3.887 10.987 ( 2.228 1.879 0.080) 2.915 11.122 ( 3.373 2.216 1.086) 4.180 11.365 ( -3.612 0.429 3.585) 5.107 11.560 ( -4.445 2.691 4.512) 6.882 11.609 ( 2.325 -1.341 -8.397) 8.816 11.812 ( 1.035 -4.289 2.533) 5.088 11.896 ( 4.423 -0.676 3.650) 5.775 11.937 ( 5.265 2.068 -13.110) 14.278 12.161 ( 7.512 -3.639 3.096) 8.903 12.216 ( 5.014 1.342 0.630) 5.229 12.483 ( 7.914 4.093 2.705) 9.311 12.592 ( 4.448 3.942 0.939) 6.017 13.811 ( 1.042 2.679 2.069) 3.541 14.190 ( 13.022 3.527 0.316) 13.495 14.437 ( -5.240 -5.806 0.246) 7.825 14.634 ( 3.603 2.574 -5.097) 6.751 14.941 ( -12.357 3.369 -0.252) 12.810 15.389 ( -2.755 -10.313 -2.950) 11.075 15.565 ( -0.117 -4.842 10.861) 11.892 15.773 ( 10.632 7.988 -7.387) 15.213 16.219 ( -10.599 -9.902 -4.804) 15.280 16.718 ( 0.646 -14.893 16.350) 22.126 17.859 ( -8.430 4.080 8.837) 12.876 17.935 ( -5.691 8.979 -11.917) 15.970 18.796 ( -14.601 -1.101 -3.722) 15.108 19.772 ( 2.847 -19.155 -4.330) 19.843 20.411 ( 5.615 14.064 8.384) 17.309 21.190 ( 17.995 -0.725 -2.071) 18.129 21.780 ( -0.346 0.621 0.342) 0.789 21.853 ( 1.221 -2.349 -0.152) 2.652 22.177 ( -0.848 4.317 -0.423) 4.419 22.259 ( 2.326 4.660 -1.074) 5.318 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -18.470 4.138 7.082) 20.209 1.512 ( -4.217 12.057 14.000) 18.951 1.609 ( -15.760 -1.180 -6.930) 17.257 1.678 ( -7.572 6.503 0.633) 10.001 1.916 ( -2.114 15.233 -4.814) 16.114 2.165 ( -3.843 14.043 -6.901) 16.112 2.273 ( 5.400 15.501 1.243) 16.462 2.535 ( -1.424 9.540 -3.633) 10.307 2.690 ( 3.050 0.879 7.985) 8.593 2.981 ( 0.988 6.126 1.709) 6.436 3.087 ( 9.115 -3.442 0.081) 9.744 3.128 ( 0.966 -2.272 -3.180) 4.026 3.287 ( 10.891 5.094 -2.425) 12.266 3.431 ( 5.614 5.012 6.361) 9.854 3.710 ( 1.995 8.042 0.362) 8.294 3.758 ( -4.386 1.670 1.796) 5.025 3.821 ( -3.982 5.416 1.526) 6.893 3.906 ( -1.314 2.454 0.701) 2.871 4.012 ( 0.161 -10.310 -2.523) 10.615 4.246 ( 5.249 0.383 2.272) 5.732 4.301 ( -2.808 3.580 -6.279) 7.754 4.433 ( 3.174 -1.554 -5.423) 6.473 4.731 ( 4.496 -9.899 4.355) 11.712 5.050 ( 9.330 -5.422 1.650) 10.917 5.142 ( 3.856 -7.608 -2.692) 8.944 5.236 ( 0.789 -3.732 -1.324) 4.038 5.504 ( 6.447 -0.886 -6.081) 8.907 5.571 ( 1.428 -1.904 -8.467) 8.795 5.648 ( -1.358 -12.335 4.174) 13.093 5.804 ( 9.381 2.837 5.188) 11.089 6.019 ( -0.126 -11.423 -6.328) 13.059 6.088 ( -3.258 3.608 -1.036) 4.971 6.215 ( 9.525 0.009 -2.942) 9.969 6.445 ( 4.706 -7.376 2.233) 9.030 6.529 ( -2.970 -1.364 4.666) 5.696 6.669 ( 0.157 -0.859 -5.306) 5.378 6.742 ( -17.383 -9.892 -2.179) 20.119 6.890 ( -1.414 -1.183 -0.396) 1.886 6.978 ( -3.097 -4.716 -3.459) 6.618 7.069 ( -8.818 -3.235 5.611) 10.941 7.181 ( -0.391 -1.649 2.992) 3.439 7.281 ( -5.045 -6.283 8.391) 11.634 7.472 ( -2.343 -6.597 -3.688) 7.912 7.524 ( -6.579 -0.906 1.652) 6.843 7.647 ( -0.038 -4.301 4.293) 6.077 7.787 ( 1.153 0.831 -1.472) 2.046 7.929 ( -4.069 4.351 -3.710) 7.018 7.995 ( 0.062 3.237 5.284) 6.197 8.140 ( -2.963 1.075 -7.049) 7.721 8.197 ( -4.090 6.132 0.416) 7.382 8.343 ( 4.058 1.964 2.660) 5.235 8.563 ( -5.105 9.234 0.152) 10.552 8.738 ( 1.323 10.012 -3.125) 10.571 8.859 ( -3.846 7.007 5.069) 9.465 9.030 ( -2.905 5.086 -0.128) 5.859 9.092 ( -8.908 7.304 -7.443) 13.715 9.316 ( 4.615 5.369 -1.286) 7.195 9.556 ( -2.170 9.028 1.013) 9.340 9.800 ( -2.994 0.855 1.042) 3.284 9.887 ( -2.589 1.271 -4.102) 5.014 10.092 ( 1.188 2.201 3.193) 4.056 10.228 ( 0.705 2.686 -1.775) 3.296 10.468 ( 1.292 -0.105 4.677) 4.854 10.554 ( 2.547 0.601 1.505) 3.019 11.044 ( 2.980 2.672 1.513) 4.279 11.160 ( 0.473 3.898 0.174) 3.930 11.379 ( 1.440 0.191 6.901) 7.052 11.502 ( -4.713 0.276 4.491) 6.516 11.601 ( 2.440 -1.568 -8.772) 9.239 11.814 ( -1.024 -1.821 -3.364) 3.960 11.942 ( 4.239 -1.080 -9.661) 10.605 11.984 ( 2.417 -3.199 -1.920) 4.445 12.269 ( 2.784 4.089 3.785) 6.229 12.341 ( 5.241 -2.723 8.832) 10.625 12.598 ( 0.609 4.148 -0.562) 4.230 12.716 ( 10.557 1.361 -5.087) 11.798 13.920 ( 6.084 -3.869 9.672) 12.063 14.320 ( -7.541 -16.219 -1.187) 17.925 14.386 ( 7.022 5.440 1.049) 8.945 14.698 ( 5.774 5.967 -2.950) 8.811 14.777 ( -1.797 9.130 -1.262) 9.390 15.190 ( -13.246 -7.041 -11.319) 18.793 15.624 ( -1.999 -1.099 13.138) 13.335 15.864 ( 1.834 3.953 -5.974) 7.395 16.192 ( 8.809 -4.576 4.030) 10.714 16.707 ( -10.283 -12.195 9.085) 18.357 17.740 ( -8.954 8.668 6.964) 14.276 17.792 ( -1.393 12.516 -10.431) 16.352 18.667 ( -1.339 -7.973 10.157) 12.982 19.570 ( -10.613 -17.195 -20.219) 28.586 20.746 ( 14.307 6.021 20.642) 25.827 21.382 ( 5.986 -1.575 -7.606) 9.806 21.801 ( 1.131 0.167 1.840) 2.166 21.896 ( 4.234 -3.484 -2.893) 6.199 22.167 ( 0.235 3.805 0.023) 3.812 22.283 ( 1.583 3.847 -4.424) 6.073 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.974 0.211 10.510) 10.696 1.257 ( -1.114 -5.209 -8.500) 10.031 1.683 ( -3.753 7.484 7.276) 11.093 1.817 ( 5.963 6.174 -3.419) 9.239 2.129 ( 1.351 8.591 2.305) 8.997 2.229 ( -3.625 2.252 -6.011) 7.372 2.520 ( 2.183 0.553 1.301) 2.601 2.609 ( -2.171 4.239 -8.404) 9.660 2.950 ( 5.668 7.111 3.990) 9.930 2.996 ( -6.991 0.397 -0.819) 7.050 3.169 ( -4.649 9.702 5.176) 11.939 3.233 ( 1.448 7.741 -0.271) 7.880 3.526 ( 4.219 0.690 5.031) 6.602 3.618 ( -6.365 0.967 -4.493) 7.850 3.758 ( 2.995 3.778 5.337) 7.192 3.831 ( 3.641 1.365 -1.827) 4.296 3.896 ( -0.589 3.351 2.659) 4.318 3.929 ( -0.384 3.506 0.285) 3.539 4.168 ( 3.993 5.290 2.661) 7.142 4.244 ( -5.921 4.742 -4.078) 8.612 4.377 ( 0.463 5.036 3.969) 6.429 4.496 ( -0.736 11.953 -6.655) 13.700 4.690 ( 7.956 -7.862 1.990) 11.361 4.820 ( -5.909 -6.739 -9.870) 13.332 5.045 ( -1.801 -10.994 8.527) 14.029 5.149 ( -0.436 -8.501 -0.690) 8.540 5.404 ( -0.581 -2.916 -2.596) 3.947 5.454 ( 6.502 -6.028 -8.919) 12.576 5.666 ( 8.447 0.861 -1.034) 8.554 5.696 ( -10.633 -0.705 -3.998) 11.381 5.884 ( 4.153 -10.931 1.710) 11.818 5.929 ( -3.961 -12.141 -2.395) 12.994 6.206 ( -7.658 -1.698 7.744) 11.022 6.296 ( 4.041 -4.170 0.543) 5.832 6.481 ( -2.138 -6.326 2.185) 7.026 6.555 ( -0.096 -3.770 -4.079) 5.555 6.598 ( 1.120 -2.290 5.587) 6.141 6.717 ( 0.857 -2.909 -5.868) 6.605 6.864 ( -3.115 5.796 14.713) 16.117 7.127 ( 2.981 9.052 -11.356) 14.825 7.208 ( 2.375 -4.270 4.629) 6.731 7.228 ( 0.800 -3.326 -1.271) 3.649 7.345 ( 0.180 -3.020 -2.111) 3.689 7.392 ( 0.622 -0.516 -5.091) 5.154 7.737 ( 4.801 -1.987 10.307) 11.542 7.850 ( -0.062 0.828 0.008) 0.830 7.970 ( -1.516 5.059 3.824) 6.521 8.044 ( -4.558 4.494 -1.903) 6.678 8.133 ( 3.973 0.150 3.120) 5.054 8.182 ( -5.366 0.978 -3.493) 6.478 8.451 ( 2.825 0.527 1.454) 3.221 8.522 ( -3.888 -0.105 -5.527) 6.758 8.902 ( 3.172 5.854 8.081) 10.470 9.057 ( -5.117 6.887 -8.540) 12.105 9.143 ( 4.541 9.494 0.136) 10.525 9.168 ( 0.281 9.389 -1.899) 9.583 9.433 ( 2.471 -1.745 6.275) 6.966 9.600 ( -3.610 0.396 -9.587) 10.252 9.834 ( 0.551 4.934 2.336) 5.487 9.885 ( -0.522 3.801 -2.835) 4.770 10.213 ( 0.295 5.118 5.061) 7.204 10.296 ( 0.518 4.272 -3.430) 5.503 10.490 ( -0.344 -0.465 3.323) 3.373 10.546 ( 0.856 -2.215 -1.858) 3.015 11.172 ( 2.099 3.102 3.099) 4.861 11.215 ( -1.563 2.693 -0.656) 3.182 11.431 ( -0.758 -0.792 2.260) 2.511 11.462 ( -0.458 -1.910 7.554) 7.806 11.562 ( 0.519 -2.033 -4.888) 5.319 11.664 ( 0.269 -6.732 -6.031) 9.042 11.872 ( -0.890 -4.106 -0.999) 4.319 11.917 ( -0.057 -2.127 -5.284) 5.696 12.431 ( -0.302 4.203 8.457) 9.449 12.446 ( 1.744 1.427 5.948) 6.361 12.600 ( -4.525 0.900 1.048) 4.731 12.758 ( 1.146 -2.363 -10.595) 10.915 13.870 ( 4.000 -8.459 2.735) 9.749 13.925 ( -2.324 -9.696 -2.846) 10.369 14.700 ( 8.564 4.544 5.631) 11.212 14.755 ( -9.349 -1.448 -0.262) 9.464 14.874 ( -5.164 2.411 1.935) 6.018 14.970 ( 6.843 1.618 -7.018) 9.935 15.758 ( 3.188 6.036 9.430) 11.641 15.836 ( -5.812 0.638 1.667) 6.080 16.443 ( -3.432 4.951 7.078) 9.294 16.602 ( 5.964 16.989 -7.596) 19.542 17.662 ( -4.753 -9.424 14.395) 17.849 17.972 ( 7.078 2.096 -15.789) 17.430 18.649 ( 4.742 -3.763 10.098) 11.774 18.899 ( -8.520 -16.099 -16.894) 24.843 21.126 ( 2.502 6.185 14.277) 15.759 21.353 ( -1.268 0.677 -9.541) 9.649 21.777 ( -0.760 -2.752 2.304) 3.669 21.831 ( 0.836 -4.781 -3.298) 5.868 22.247 ( 0.787 2.054 1.079) 2.450 22.285 ( -1.040 0.432 -3.244) 3.434 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 13.332 0.717 -2.533) 13.589 1.403 ( 17.570 -1.120 2.983) 17.856 1.744 ( 7.553 -1.991 3.802) 8.687 1.908 ( 7.749 9.567 -8.438) 14.926 2.150 ( -0.627 3.597 -3.499) 5.057 2.241 ( 5.964 4.841 6.354) 9.969 2.480 ( -5.260 8.568 -2.308) 10.315 2.577 ( 0.617 1.023 -0.097) 1.199 2.827 ( -8.357 3.841 -0.564) 9.215 3.043 ( -0.063 10.146 7.660) 12.713 3.089 ( -6.628 5.179 0.651) 8.437 3.222 ( -4.901 5.637 3.974) 8.461 3.441 ( -8.982 5.095 3.073) 10.774 3.520 ( -8.171 1.246 -3.875) 9.129 3.748 ( -4.024 -2.344 1.915) 5.036 3.805 ( -6.781 -4.424 -3.719) 8.910 3.832 ( -1.343 2.254 -0.868) 2.764 3.915 ( -7.865 4.723 -1.076) 9.237 4.100 ( -1.604 6.166 -2.935) 7.015 4.215 ( 2.464 4.955 3.974) 6.813 4.363 ( -8.850 1.604 1.213) 9.076 4.525 ( -3.442 -15.110 -3.649) 15.921 4.561 ( 3.046 10.180 -1.569) 10.741 4.882 ( -4.340 -6.483 0.549) 7.821 5.032 ( -2.127 -6.691 2.899) 7.596 5.141 ( 4.336 -3.947 0.714) 5.907 5.365 ( 0.000 -0.291 -6.198) 6.205 5.488 ( -3.087 1.388 1.958) 3.910 5.553 ( 1.868 -6.450 -7.817) 10.306 5.801 ( 4.435 -1.519 2.388) 5.261 5.845 ( -0.045 -5.303 -2.589) 5.901 6.071 ( 9.600 -13.826 0.070) 16.832 6.122 ( -5.628 3.441 8.896) 11.075 6.295 ( -7.118 -3.927 3.463) 8.836 6.435 ( 9.459 -2.153 -0.964) 9.749 6.625 ( 3.276 -2.240 1.630) 4.290 6.719 ( 5.148 -3.386 -2.557) 6.671 6.756 ( 5.396 -4.237 2.058) 7.163 6.923 ( 1.255 6.466 6.558) 9.295 7.138 ( 3.465 1.149 -7.244) 8.112 7.215 ( 3.611 0.649 -4.964) 6.173 7.297 ( 0.731 -4.500 2.880) 5.393 7.330 ( 0.355 -7.238 2.873) 7.796 7.432 ( 7.244 -1.272 -9.473) 11.993 7.765 ( -6.159 -2.350 -6.273) 9.100 7.808 ( -1.248 0.370 1.961) 2.354 7.974 ( -3.501 1.485 0.157) 3.806 7.998 ( -0.877 3.438 4.277) 5.557 8.101 ( -0.310 5.063 4.538) 6.806 8.232 ( 3.692 -0.682 4.324) 5.726 8.442 ( 0.530 2.331 -2.175) 3.233 8.569 ( 5.192 -0.767 2.487) 5.808 8.908 ( -4.672 7.734 -5.774) 10.723 9.027 ( 3.394 5.159 7.859) 9.995 9.173 ( 3.337 9.502 -5.539) 11.493 9.248 ( 6.887 7.804 -3.371) 10.941 9.473 ( -2.897 1.631 -6.773) 7.545 9.533 ( 2.594 -1.725 8.234) 8.804 9.884 ( 3.141 4.239 1.193) 5.409 9.907 ( 4.191 3.794 -0.889) 5.723 10.206 ( -2.464 4.080 0.713) 4.819 10.291 ( -0.334 3.692 -1.814) 4.128 10.477 ( -1.128 -0.382 0.803) 1.437 10.569 ( 1.944 0.663 -1.316) 2.439 11.145 ( -4.569 3.300 -2.133) 6.026 11.194 ( -1.686 1.949 1.942) 3.227 11.430 ( -0.521 0.402 4.961) 5.005 11.500 ( -0.042 -3.671 -5.570) 6.671 11.557 ( 0.234 -3.905 9.042) 9.852 11.651 ( 3.059 -3.208 -7.372) 8.602 11.822 ( -3.857 -3.892 -0.384) 5.492 11.887 ( -1.201 -2.990 -0.652) 3.287 12.383 ( -6.680 3.175 -1.137) 7.483 12.440 ( -6.036 4.061 5.800) 9.304 12.570 ( -2.798 -0.205 6.111) 6.724 12.689 ( -1.930 -1.833 -5.579) 6.182 13.897 ( 0.825 -8.154 -4.847) 9.521 13.991 ( 7.095 -10.920 1.987) 13.173 14.510 ( -12.275 3.336 -0.032) 12.721 14.716 ( -8.736 -2.530 -0.230) 9.098 14.938 ( 9.375 2.561 6.843) 11.886 15.098 ( 8.262 4.902 -8.733) 12.983 15.736 ( -4.995 0.301 0.007) 5.004 15.880 ( 2.685 11.566 11.292) 16.386 16.284 ( -11.423 9.471 -1.953) 14.966 16.737 ( 8.907 5.017 -5.337) 11.532 17.691 ( -1.608 -6.626 14.517) 16.038 18.030 ( 9.806 -4.549 -19.888) 22.636 18.703 ( -2.576 -5.077 -8.374) 10.126 18.883 ( 11.701 -11.329 13.959) 21.450 21.133 ( -9.713 4.410 -0.033) 10.667 21.225 ( -5.793 1.717 -0.857) 6.102 21.777 ( -0.534 -2.552 1.706) 3.116 21.817 ( -0.067 -2.984 -2.163) 3.686 22.242 ( -0.796 2.391 -0.692) 2.613 22.283 ( 1.187 0.897 0.624) 1.614 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 11.665 4.150 -1.655) 12.491 1.712 ( 11.008 -2.255 1.760) 11.374 1.935 ( 9.434 -3.598 -6.220) 11.859 2.048 ( 12.556 8.051 -2.149) 15.069 2.142 ( 1.671 1.409 -3.681) 4.281 2.332 ( -3.190 9.575 1.159) 10.158 2.415 ( 1.802 7.139 4.854) 8.819 2.626 ( 5.517 4.975 5.804) 9.427 2.737 ( -3.158 7.441 2.825) 8.563 2.875 ( -15.252 6.664 -2.064) 16.772 3.081 ( -0.082 7.417 5.817) 9.427 3.111 ( -5.734 4.431 3.365) 7.989 3.317 ( -8.700 -0.445 -6.083) 10.625 3.360 ( -4.492 1.969 5.129) 7.096 3.568 ( -14.398 -6.589 -3.338) 16.182 3.606 ( -10.357 -4.456 2.224) 11.492 3.718 ( -5.265 -5.585 -5.869) 9.662 3.889 ( 1.373 4.238 2.822) 5.274 4.076 ( -3.820 1.665 -3.363) 5.355 4.213 ( 0.308 -1.925 -1.106) 2.241 4.295 ( 0.259 1.786 0.596) 1.901 4.440 ( -12.645 -3.172 0.908) 13.068 4.509 ( 0.185 -6.058 -0.802) 6.113 4.759 ( -10.363 -8.264 1.409) 13.329 4.976 ( 1.430 5.754 -1.512) 6.119 5.284 ( 6.139 1.030 -1.367) 6.373 5.339 ( -0.289 0.562 0.810) 1.027 5.472 ( -2.093 -2.179 0.699) 3.101 5.581 ( 7.116 -2.458 -5.423) 9.278 5.824 ( -1.178 -0.823 2.135) 2.573 5.903 ( 4.903 0.781 0.142) 4.967 6.036 ( -6.455 2.253 4.957) 8.445 6.223 ( 5.719 -0.793 -2.008) 6.113 6.296 ( 2.998 -2.588 3.904) 5.561 6.623 ( 5.606 1.128 7.089) 9.108 6.723 ( 8.306 -5.230 -4.104) 10.639 6.774 ( 2.775 -4.888 0.402) 5.635 6.865 ( 5.421 -2.849 4.031) 7.332 6.989 ( 4.752 2.844 -0.563) 5.567 7.119 ( -0.980 -1.199 -5.182) 5.408 7.255 ( 1.681 -3.691 -2.458) 4.743 7.334 ( 0.363 -6.825 1.132) 6.928 7.372 ( 1.294 -4.634 3.778) 6.117 7.510 ( 8.064 -3.092 -12.559) 15.242 7.605 ( -7.005 -4.319 -2.619) 8.636 7.791 ( -1.029 -1.594 0.886) 2.094 7.847 ( -3.797 -1.244 -8.338) 9.246 8.008 ( -2.178 -0.123 6.914) 7.250 8.199 ( 4.278 5.091 6.898) 9.581 8.313 ( 2.611 1.848 3.891) 5.038 8.439 ( -0.728 3.864 -3.214) 5.078 8.648 ( -0.185 -0.021 3.791) 3.796 8.846 ( 0.418 5.070 0.150) 5.089 9.027 ( -2.977 1.546 -4.919) 5.954 9.281 ( 9.006 7.720 -2.195) 12.063 9.326 ( 4.144 6.402 -5.798) 9.580 9.468 ( 4.280 7.181 3.487) 9.058 9.642 ( 4.010 0.859 8.049) 9.034 9.955 ( 4.389 2.621 -1.317) 5.279 9.999 ( 4.151 4.144 2.528) 6.387 10.152 ( -2.487 3.079 -2.563) 4.715 10.241 ( -3.234 1.483 -0.964) 3.686 10.481 ( 0.805 3.542 -0.052) 3.633 10.588 ( 1.127 2.875 -2.407) 3.916 11.047 ( -4.217 2.750 -1.426) 5.233 11.144 ( -4.284 0.491 0.811) 4.388 11.441 ( -1.635 -0.663 1.742) 2.479 11.475 ( 1.984 -0.312 -1.240) 2.361 11.639 ( 1.904 -3.408 8.485) 9.340 11.669 ( 1.616 -4.584 -3.692) 6.104 11.762 ( -0.567 -3.471 -2.121) 4.107 11.858 ( -2.229 -4.262 1.571) 5.060 12.241 ( -6.593 3.300 -3.149) 8.017 12.294 ( -11.589 3.755 1.724) 12.304 12.525 ( -4.112 1.044 2.275) 4.814 12.634 ( -3.595 0.142 0.803) 3.686 13.869 ( -0.662 -2.031 -3.082) 3.750 14.127 ( 6.020 -10.558 0.836) 12.182 14.338 ( -6.602 2.112 -0.131) 6.933 14.588 ( -5.213 -7.583 -0.650) 9.225 15.106 ( 5.551 -1.013 4.022) 6.929 15.190 ( 7.446 7.315 -3.057) 10.876 15.644 ( -3.940 -0.847 -4.008) 5.684 15.955 ( -7.891 27.570 15.677) 32.683 16.098 ( -0.858 -0.640 -6.610) 6.696 16.787 ( 1.200 -4.932 -12.677) 13.656 17.762 ( -0.624 -6.658 14.964) 16.390 18.078 ( 8.887 -11.736 -20.018) 24.848 18.752 ( 9.101 5.828 3.744) 11.437 19.193 ( 12.212 -14.238 11.391) 21.946 20.855 ( -13.435 8.570 -9.070) 18.336 21.090 ( -12.065 -0.836 4.247) 12.818 21.781 ( 0.515 -1.027 0.287) 1.184 21.812 ( 0.348 -1.549 -0.808) 1.781 22.239 ( 0.433 2.963 0.613) 3.056 22.302 ( 0.311 1.152 0.432) 1.269 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 9.988 4.472 -1.075) 10.996 1.778 ( -2.175 4.216 -1.374) 4.939 2.039 ( 5.371 1.686 -3.655) 6.712 2.141 ( -1.202 2.185 -1.210) 2.772 2.211 ( 5.281 10.630 -2.766) 12.187 2.254 ( -4.615 3.076 6.677) 8.680 2.529 ( 3.111 2.636 0.296) 4.088 2.547 ( -8.774 15.656 -2.271) 18.090 2.796 ( 5.762 2.007 7.258) 9.482 2.819 ( 4.982 5.457 1.885) 7.626 3.034 ( -1.942 0.230 3.367) 3.894 3.112 ( -2.471 -5.387 -1.742) 6.177 3.238 ( 2.759 2.027 -3.080) 4.605 3.273 ( -6.913 1.645 -2.566) 7.555 3.324 ( -5.937 -2.102 2.896) 6.932 3.439 ( -10.019 -6.280 3.296) 12.275 3.685 ( 3.648 -6.756 0.138) 7.679 3.860 ( -5.155 -4.801 -1.881) 7.291 4.027 ( 1.602 4.492 0.914) 4.856 4.204 ( -0.817 -3.149 -1.218) 3.474 4.243 ( -8.961 -1.859 1.169) 9.226 4.271 ( -0.235 -8.404 -6.442) 10.592 4.520 ( 0.478 1.199 2.080) 2.447 4.608 ( -4.461 -2.083 -0.041) 4.924 5.058 ( 6.613 5.963 2.353) 9.210 5.273 ( -4.012 4.025 -2.690) 6.287 5.380 ( 0.988 0.267 -1.535) 1.845 5.430 ( -0.303 -5.329 0.716) 5.385 5.718 ( 8.519 -1.133 -3.312) 9.211 5.801 ( -3.125 1.230 1.258) 3.586 5.924 ( -4.637 7.446 5.680) 10.450 6.009 ( 3.216 2.433 -2.865) 4.947 6.295 ( 2.887 1.199 0.364) 3.147 6.350 ( 1.225 -0.494 -0.688) 1.489 6.712 ( 0.002 3.453 10.968) 11.499 6.822 ( 3.182 -4.072 2.645) 5.805 6.859 ( 4.873 -6.382 0.434) 8.041 6.970 ( 2.185 -2.357 -2.778) 4.248 7.039 ( -0.368 -0.269 -3.604) 3.633 7.089 ( 1.930 -2.435 -3.811) 4.917 7.256 ( 0.011 -7.479 -1.569) 7.641 7.320 ( -3.178 -7.700 2.054) 8.579 7.391 ( 4.900 -4.873 -3.008) 7.537 7.464 ( -10.213 -6.561 9.005) 15.114 7.597 ( 8.453 -1.738 -11.710) 14.547 7.685 ( -4.973 -3.295 -9.185) 10.952 7.891 ( 5.166 -2.064 4.432) 7.113 7.996 ( -2.739 -2.998 4.927) 6.385 8.292 ( 1.817 3.517 1.056) 4.096 8.364 ( -3.066 4.525 -4.731) 7.229 8.400 ( 4.349 3.628 5.684) 8.024 8.594 ( -5.943 0.793 0.037) 5.996 8.886 ( -0.051 1.630 4.975) 5.235 8.968 ( 1.328 1.456 -4.769) 5.161 9.338 ( 1.831 6.437 -5.234) 8.497 9.394 ( 4.545 5.528 -6.972) 9.991 9.608 ( 4.332 10.332 11.305) 15.916 9.762 ( 4.260 3.765 4.671) 7.358 9.995 ( 0.158 0.811 -2.348) 2.489 10.021 ( -2.681 1.657 -1.702) 3.582 10.139 ( 2.320 3.580 1.304) 4.461 10.203 ( -0.208 2.241 -0.307) 2.272 10.491 ( 0.289 5.418 0.393) 5.439 10.570 ( -1.259 3.985 -3.689) 5.574 11.003 ( 0.400 1.594 0.019) 1.643 11.063 ( -4.387 0.299 0.056) 4.397 11.444 ( -0.038 -1.354 3.435) 3.692 11.511 ( 2.368 -1.021 -2.013) 3.272 11.647 ( -0.383 -3.031 -0.084) 3.056 11.733 ( -1.619 -2.442 1.861) 3.471 11.755 ( 3.862 -4.429 2.109) 6.244 11.862 ( 2.072 -7.021 0.353) 7.329 12.081 ( -11.967 5.962 3.437) 13.805 12.132 ( -0.778 5.708 -7.282) 9.285 12.482 ( -0.944 0.706 1.547) 1.945 12.552 ( -5.024 0.810 0.130) 5.091 13.886 ( 2.855 4.238 4.187) 6.606 14.138 ( -4.441 1.596 -5.095) 6.944 14.317 ( 4.448 -10.176 1.374) 11.190 14.490 ( -3.843 -11.232 -4.710) 12.771 15.213 ( 3.881 -1.809 5.432) 6.917 15.339 ( 4.772 7.789 7.124) 11.584 15.542 ( -3.492 -3.831 -4.810) 7.072 15.796 ( -7.966 19.959 -2.183) 21.600 16.180 ( 4.364 5.440 8.546) 11.030 16.639 ( -5.775 -6.522 -18.226) 20.201 17.825 ( -2.810 -8.973 15.237) 17.905 18.127 ( 7.943 -10.269 -17.242) 21.584 19.025 ( 14.457 4.629 10.048) 18.204 19.364 ( -0.985 -10.479 2.283) 10.770 20.666 ( 0.181 8.229 -3.519) 8.952 20.850 ( -13.951 0.086 -0.695) 13.969 21.798 ( 1.023 -0.470 -0.077) 1.128 21.811 ( -0.273 -0.712 -0.208) 0.790 22.258 ( 0.814 2.861 1.419) 3.296 22.300 ( -0.384 1.729 -0.560) 1.857 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -9.449 8.007 3.348) 12.830 1.845 ( 3.787 1.198 -6.005) 7.200 1.980 ( -12.187 3.973 2.462) 13.053 2.129 ( 1.065 8.725 0.364) 8.797 2.178 ( -5.030 1.606 0.533) 5.307 2.360 ( 11.890 3.103 -3.454) 12.764 2.494 ( 0.557 8.610 2.186) 8.901 2.549 ( 2.867 8.999 -1.946) 9.643 2.850 ( -3.268 8.520 -0.702) 9.152 2.873 ( -1.204 2.294 -0.736) 2.693 3.035 ( -0.522 -5.072 4.963) 7.115 3.120 ( 0.700 -2.044 -3.209) 3.868 3.150 ( -3.756 -1.344 2.709) 4.822 3.189 ( 0.612 4.948 4.955) 7.029 3.358 ( 5.477 -2.625 1.627) 6.287 3.481 ( 11.412 -6.956 -1.552) 13.454 3.733 ( -2.023 -5.247 -2.752) 6.261 3.839 ( 7.634 -7.273 -0.572) 10.560 4.097 ( -4.798 -0.452 -4.204) 6.395 4.116 ( 4.925 -0.132 6.567) 8.209 4.198 ( -0.182 -1.065 -0.993) 1.468 4.297 ( 7.349 -5.491 -3.889) 9.964 4.497 ( -2.738 1.341 4.085) 5.097 4.641 ( 6.647 -0.052 -2.602) 7.139 5.133 ( -7.315 5.230 -5.706) 10.650 5.219 ( 8.130 2.747 3.686) 9.340 5.359 ( -3.265 -4.146 3.120) 6.131 5.444 ( 1.547 -3.518 -4.215) 5.705 5.701 ( -6.731 2.790 -0.012) 7.286 5.812 ( 1.510 1.490 -1.100) 2.390 5.908 ( -0.213 5.262 5.623) 7.704 6.050 ( 4.046 3.368 -5.618) 7.699 6.301 ( -2.235 3.444 -0.566) 4.145 6.370 ( 1.963 -1.506 -1.277) 2.784 6.759 ( -5.165 -1.830 11.591) 12.821 6.811 ( -6.185 -1.100 -0.598) 6.310 6.890 ( -0.423 -9.422 3.840) 10.183 6.918 ( -4.041 -1.621 -4.339) 6.147 7.027 ( -0.523 -1.131 -2.271) 2.591 7.093 ( 4.923 1.994 -5.477) 7.630 7.259 ( -8.250 -8.572 1.739) 12.024 7.290 ( -1.228 -5.382 4.187) 6.928 7.312 ( 0.477 -5.992 3.391) 6.901 7.503 ( -4.434 -3.952 -5.205) 7.898 7.575 ( 4.378 -5.083 1.481) 6.870 7.670 ( 6.264 -4.825 -9.267) 12.181 7.904 ( -6.098 -3.641 3.968) 8.135 8.044 ( 4.662 -2.613 0.768) 5.399 8.249 ( -4.851 4.890 2.180) 7.225 8.327 ( 0.470 6.240 0.152) 6.260 8.473 ( -4.525 1.095 -0.959) 4.754 8.561 ( 7.867 1.283 1.894) 8.193 8.885 ( -2.689 2.660 4.624) 5.974 8.987 ( 1.957 0.467 -4.159) 4.620 9.317 ( -2.243 6.859 -1.578) 7.387 9.376 ( -0.776 4.442 -8.407) 9.540 9.716 ( -0.137 9.991 9.112) 13.523 9.796 ( -2.494 9.244 -5.550) 11.067 9.942 ( -2.280 -1.130 3.718) 4.506 9.976 ( -1.947 0.356 -0.072) 1.980 10.187 ( 1.941 2.728 0.408) 3.373 10.202 ( -0.085 3.521 -2.913) 4.570 10.501 ( -1.027 4.173 1.256) 4.478 10.517 ( -0.929 4.049 -0.558) 4.191 11.007 ( -0.996 1.264 -0.249) 1.629 11.058 ( 4.538 0.715 0.554) 4.627 11.422 ( -4.920 -1.477 3.558) 6.249 11.546 ( 3.255 -3.243 -3.264) 5.637 11.669 ( -0.437 -0.264 -1.049) 1.167 11.679 ( 0.102 -2.757 0.366) 2.783 11.851 ( -1.543 -5.750 -1.633) 6.173 11.877 ( 3.063 -7.557 -0.004) 8.154 11.972 ( 0.311 7.176 7.176) 10.153 12.175 ( 8.771 6.192 -6.199) 12.397 12.478 ( -0.958 1.490 2.021) 2.687 12.538 ( 4.243 0.648 1.587) 4.576 13.947 ( -4.726 4.507 1.345) 6.667 14.060 ( 4.721 2.104 -0.907) 5.247 14.354 ( -3.061 -10.193 -1.522) 10.751 14.474 ( 7.259 -9.512 -4.176) 12.673 15.273 ( -6.629 0.680 1.975) 6.951 15.355 ( 3.101 0.750 2.792) 4.240 15.453 ( -11.534 7.101 9.358) 16.463 15.792 ( 11.349 2.169 -7.328) 13.682 16.281 ( -3.148 5.023 10.366) 11.941 16.460 ( 0.668 2.291 -11.436) 11.682 17.829 ( -6.242 -11.150 14.052) 18.993 18.135 ( 3.656 -5.490 -17.067) 18.298 19.174 ( -15.875 0.131 -5.189) 16.702 19.313 ( 8.481 -6.994 8.050) 13.625 20.640 ( -5.659 6.362 -0.993) 8.572 20.839 ( 16.520 1.080 0.133) 16.556 21.797 ( -1.114 -0.200 0.024) 1.132 21.810 ( 0.135 -0.927 -0.032) 0.938 22.273 ( -0.690 2.639 0.558) 2.784 22.293 ( 0.847 1.852 -0.461) 2.088 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -12.438 5.521 1.491) 13.690 1.747 ( -10.891 -2.043 -1.574) 11.192 1.785 ( -10.261 1.705 7.421) 12.777 2.026 ( -12.160 7.292 0.784) 14.201 2.128 ( 0.063 0.018 -1.846) 1.847 2.386 ( -0.446 4.998 -4.152) 6.513 2.536 ( 2.031 8.620 -7.978) 11.920 2.711 ( -5.642 12.940 -2.598) 14.354 2.798 ( 10.570 2.567 4.179) 11.652 2.829 ( 5.506 4.165 -4.145) 8.053 3.090 ( 4.342 3.773 4.533) 7.324 3.137 ( 0.648 6.140 6.146) 8.712 3.200 ( 7.477 -1.255 -0.939) 7.639 3.330 ( 8.168 4.302 7.028) 11.603 3.551 ( 10.982 -3.898 3.282) 12.106 3.654 ( 8.916 -5.752 -2.254) 10.847 3.703 ( 3.765 -6.948 -7.046) 10.588 3.936 ( -0.243 -3.328 -1.260) 3.567 4.049 ( 1.377 3.147 -1.249) 3.655 4.192 ( 2.097 1.009 1.011) 2.537 4.265 ( 5.377 -2.220 3.879) 6.992 4.424 ( 6.097 0.074 1.169) 6.209 4.544 ( 6.672 -1.081 -2.532) 7.218 4.780 ( 9.772 -4.097 -1.085) 10.652 4.984 ( -4.423 3.373 -3.808) 6.741 5.268 ( -6.332 -6.253 1.270) 8.989 5.394 ( 7.061 0.638 0.026) 7.089 5.423 ( -1.460 -5.574 -2.469) 6.268 5.594 ( -2.717 2.244 -2.544) 4.346 5.804 ( -2.172 3.938 2.666) 5.227 5.922 ( -1.263 0.524 0.312) 1.402 6.091 ( 2.614 -3.053 -2.698) 4.840 6.257 ( -0.564 4.774 -4.381) 6.505 6.365 ( -1.789 -0.814 -1.894) 2.730 6.597 ( -11.589 -4.110 4.678) 13.156 6.709 ( -7.176 -5.792 2.310) 9.507 6.797 ( -9.292 -6.132 -3.403) 11.642 6.899 ( -0.915 -4.979 4.586) 6.831 6.984 ( -4.909 1.670 0.411) 5.202 7.100 ( -0.866 -0.294 -3.268) 3.394 7.182 ( -1.484 -0.995 7.714) 7.918 7.251 ( -3.240 -0.517 -1.385) 3.561 7.396 ( 0.932 -3.866 2.068) 4.482 7.419 ( 3.553 -5.937 -0.877) 6.975 7.561 ( -6.559 -6.383 0.754) 9.184 7.789 ( 6.989 -8.636 -0.477) 11.120 7.833 ( 0.544 2.501 -2.285) 3.431 8.087 ( 0.321 0.100 -0.684) 0.762 8.199 ( -3.217 2.585 3.910) 5.685 8.345 ( -0.367 5.346 1.421) 5.544 8.408 ( -1.661 3.028 -0.511) 3.491 8.696 ( 4.703 -0.624 -0.171) 4.747 8.849 ( -3.332 4.507 2.726) 6.233 8.981 ( 0.425 1.275 -2.157) 2.542 9.239 ( -5.081 6.856 0.126) 8.534 9.301 ( -2.226 4.583 -5.271) 7.331 9.605 ( -9.013 7.915 -7.524) 14.159 9.743 ( -1.615 6.193 -0.824) 6.452 9.901 ( -4.674 2.523 2.884) 6.044 9.999 ( 0.598 4.103 4.836) 6.370 10.143 ( -1.790 3.732 -4.665) 6.237 10.238 ( 3.287 1.888 -0.166) 3.794 10.474 ( -1.167 2.658 0.599) 2.964 10.533 ( -0.023 1.639 3.278) 3.665 11.028 ( 2.845 2.342 0.564) 3.728 11.146 ( 4.209 0.371 0.608) 4.269 11.363 ( -3.007 -0.273 4.721) 5.604 11.572 ( 1.600 -0.939 -3.585) 4.037 11.617 ( -3.596 1.105 -3.096) 4.872 11.679 ( -0.630 -7.276 2.039) 7.582 11.863 ( 4.068 -5.278 -6.839) 9.549 11.890 ( 2.172 -3.037 -1.391) 3.985 12.130 ( 8.039 1.963 7.936) 11.465 12.284 ( 4.152 2.630 0.497) 4.940 12.567 ( 9.647 3.509 -1.035) 10.318 12.638 ( 4.384 0.637 1.050) 4.553 13.843 ( -3.873 0.882 -0.751) 4.043 14.121 ( -2.889 -9.556 1.125) 10.046 14.355 ( 6.883 1.307 -1.930) 7.267 14.596 ( 7.252 -4.742 -2.300) 8.965 15.094 ( -11.294 2.312 1.494) 11.625 15.258 ( -8.495 1.402 -2.543) 8.977 15.499 ( 4.733 -0.103 9.678) 10.774 15.961 ( 4.069 -8.272 4.766) 10.377 16.207 ( 0.331 21.167 -5.935) 21.986 16.541 ( 4.014 2.867 7.927) 9.337 17.771 ( -8.282 -12.201 12.335) 19.226 18.065 ( 0.085 -0.588 -16.116) 16.127 18.839 ( -15.386 5.347 -4.527) 16.906 19.359 ( -4.283 -18.671 -4.842) 19.759 20.685 ( 7.785 12.546 7.416) 16.523 21.157 ( 16.490 -2.682 -2.601) 16.908 21.782 ( -0.275 -0.353 0.305) 0.541 21.804 ( -0.544 -2.028 -0.101) 2.102 22.252 ( -1.069 2.844 -0.541) 3.086 22.312 ( 1.079 0.900 -0.646) 1.546 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -17.141 2.643 5.495) 18.193 1.475 ( -15.966 -7.314 -2.253) 17.706 1.744 ( 0.128 4.271 6.409) 7.702 1.790 ( -10.803 9.459 0.985) 14.393 2.131 ( 0.242 3.064 -2.395) 3.896 2.334 ( -3.210 1.300 -4.158) 5.412 2.493 ( -0.502 7.067 -3.824) 8.051 2.670 ( 1.821 5.461 -7.893) 9.770 2.819 ( 4.610 6.707 -0.239) 8.142 3.043 ( 3.537 1.432 3.292) 5.039 3.180 ( 3.311 8.237 -2.680) 9.273 3.191 ( -0.156 11.484 8.242) 14.136 3.364 ( 9.079 1.227 3.477) 9.799 3.541 ( 11.920 5.625 1.750) 13.296 3.727 ( 4.482 -4.334 1.462) 6.404 3.756 ( 3.961 -5.501 -0.432) 6.793 3.853 ( 5.783 -3.409 -2.333) 7.107 3.876 ( 2.428 3.672 2.525) 5.075 4.047 ( 1.638 10.802 1.494) 11.027 4.313 ( 0.961 -1.608 -3.597) 4.056 4.348 ( 7.891 3.900 2.241) 9.083 4.471 ( 0.891 1.176 2.696) 3.073 4.615 ( 0.064 3.519 -7.062) 7.890 4.909 ( 6.210 -7.263 -2.488) 9.874 5.025 ( 5.183 -4.094 1.391) 6.750 5.129 ( -6.497 -7.118 0.990) 9.688 5.409 ( 2.394 -6.277 -2.540) 7.182 5.449 ( -1.065 -6.160 -3.373) 7.103 5.575 ( 2.997 1.348 -5.354) 6.282 5.804 ( 2.000 -2.025 1.412) 3.177 5.868 ( -4.521 -2.453 -2.070) 5.544 6.063 ( -5.550 -11.209 -1.310) 12.576 6.225 ( 0.423 3.799 -2.264) 4.442 6.336 ( -0.777 -0.928 0.708) 1.402 6.418 ( -8.291 -8.877 1.363) 12.223 6.605 ( -6.418 -5.315 6.589) 10.623 6.663 ( -1.068 1.419 -3.262) 3.714 6.819 ( -8.608 -5.777 -0.625) 10.385 6.894 ( -6.045 0.668 5.917) 8.486 7.120 ( 2.338 -1.399 4.156) 4.970 7.159 ( -2.404 5.345 -0.849) 5.922 7.240 ( 1.005 3.221 -0.646) 3.436 7.368 ( -1.251 -4.817 -5.084) 7.114 7.436 ( -2.287 -5.625 -2.601) 6.606 7.575 ( 5.045 -3.806 10.669) 12.400 7.819 ( 1.351 1.337 0.993) 2.144 7.937 ( 4.662 -1.454 1.275) 5.047 8.082 ( 0.178 2.376 0.565) 2.449 8.145 ( -5.052 1.845 1.638) 5.622 8.294 ( -3.669 1.210 -4.537) 5.959 8.405 ( 0.498 4.436 1.760) 4.799 8.666 ( -5.426 -0.042 -6.075) 8.145 8.832 ( 0.333 4.312 3.789) 5.750 9.028 ( 3.688 5.017 4.487) 7.675 9.170 ( -1.862 7.180 -1.771) 7.627 9.230 ( -3.561 6.291 -3.968) 8.246 9.426 ( -4.600 4.865 -3.335) 7.480 9.693 ( -1.583 2.275 -6.097) 6.697 9.843 ( -3.053 4.690 2.801) 6.258 9.953 ( -4.220 4.732 -3.190) 7.098 10.158 ( 2.044 4.296 4.110) 6.287 10.292 ( 2.205 3.223 -1.119) 4.062 10.467 ( 0.032 0.365 1.641) 1.681 10.547 ( -0.086 -0.854 1.275) 1.537 11.099 ( 3.658 3.021 2.192) 5.226 11.208 ( 1.981 0.995 0.694) 2.323 11.379 ( 0.611 -0.379 6.901) 6.938 11.516 ( -5.380 1.034 0.965) 5.562 11.575 ( 1.998 -0.862 -7.578) 7.884 11.684 ( -0.015 -8.860 -0.579) 8.879 11.878 ( 2.434 -4.785 -6.538) 8.460 11.928 ( 2.227 -2.495 -3.853) 5.102 12.316 ( 6.924 1.118 6.990) 9.902 12.362 ( 2.061 3.197 7.927) 8.792 12.666 ( -0.923 1.784 -1.289) 2.387 12.729 ( 8.242 -0.071 -7.709) 11.285 13.817 ( 0.052 -4.208 2.907) 5.115 14.021 ( -6.133 -11.669 -1.304) 13.247 14.509 ( 9.216 4.803 -0.064) 10.393 14.721 ( 8.387 -2.163 -0.784) 8.696 14.939 ( -7.633 3.169 4.214) 9.277 15.090 ( -8.248 -1.373 -4.489) 9.490 15.637 ( 3.933 2.926 9.677) 10.848 15.936 ( -6.665 -2.883 4.350) 8.465 16.312 ( 10.650 15.997 -2.404) 19.367 16.614 ( -1.203 8.396 5.362) 10.035 17.695 ( -7.559 -12.143 12.883) 19.250 17.982 ( 1.763 2.660 -14.873) 15.212 18.623 ( -6.174 3.487 1.723) 7.297 19.163 ( -8.959 -20.122 -15.085) 26.697 20.926 ( 9.316 10.415 13.708) 19.575 21.350 ( 7.114 -1.942 -6.447) 9.795 21.781 ( -0.930 -1.711 1.559) 2.495 21.813 ( 2.437 -3.983 -1.939) 5.056 22.237 ( -0.227 2.735 -0.094) 2.746 22.315 ( 0.051 -0.016 -2.508) 2.509 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.630 0.480 4.763) 4.829 1.128 ( 1.065 -5.752 -1.750) 6.106 1.888 ( -7.987 11.925 3.839) 14.857 1.966 ( 9.491 8.391 -2.378) 12.890 2.134 ( -4.897 -8.566 -0.313) 9.872 2.154 ( 5.615 -7.043 -1.515) 9.134 2.557 ( -1.240 3.566 0.629) 3.828 2.624 ( -1.736 -2.063 -6.507) 7.043 3.029 ( 2.969 2.334 -0.589) 3.822 3.033 ( -3.195 1.888 -0.978) 3.838 3.356 ( -5.416 5.746 6.726) 10.372 3.375 ( -3.678 4.143 4.546) 7.166 3.566 ( 4.360 3.710 2.921) 6.427 3.646 ( 2.630 -0.956 -4.098) 4.962 3.743 ( 1.147 -1.095 0.298) 1.613 3.793 ( 1.692 -3.436 -2.834) 4.764 3.993 ( 0.087 3.855 1.555) 4.157 4.002 ( 3.444 3.020 1.263) 4.751 4.211 ( -3.024 0.971 1.307) 3.434 4.261 ( 1.155 -2.598 -4.585) 5.395 4.580 ( -5.911 10.578 7.893) 14.461 4.624 ( -2.333 2.318 1.868) 3.782 4.695 ( -5.837 1.324 -5.484) 8.117 4.794 ( 9.906 3.513 -9.829) 14.390 4.814 ( -5.509 -7.674 6.985) 11.749 4.963 ( 6.359 -8.959 -6.511) 12.771 5.374 ( 2.374 -0.116 -0.406) 2.411 5.390 ( 3.708 -0.874 -1.598) 4.131 5.653 ( 1.596 -3.263 -0.242) 3.640 5.674 ( -3.614 -3.805 -3.650) 6.392 5.725 ( 0.270 -1.283 -1.101) 1.712 5.754 ( -1.039 -2.666 -3.945) 4.873 6.166 ( -5.843 -1.347 8.030) 10.021 6.197 ( -3.808 -4.013 6.721) 8.705 6.448 ( 7.446 1.966 2.907) 8.231 6.508 ( 2.645 -2.948 -1.110) 4.114 6.570 ( -4.711 2.059 -0.208) 5.145 6.643 ( -2.485 -3.970 -5.752) 7.417 7.030 ( -0.426 5.867 12.480) 13.797 7.103 ( 1.030 -4.040 4.925) 6.453 7.208 ( 0.976 2.376 -2.746) 3.760 7.250 ( 1.223 1.224 -5.116) 5.400 7.330 ( -1.575 1.325 -1.135) 2.350 7.386 ( 2.373 -1.627 -3.273) 4.358 7.692 ( 4.632 1.133 3.102) 5.689 7.797 ( 0.302 -5.862 -4.496) 7.394 8.037 ( 0.635 2.955 3.511) 4.633 8.096 ( 0.107 -1.137 -0.954) 1.488 8.167 ( -1.068 1.690 4.214) 4.665 8.177 ( -3.846 0.155 2.407) 4.540 8.467 ( 0.424 1.448 -2.543) 2.957 8.502 ( -2.592 -1.606 -5.568) 6.348 9.025 ( 3.556 6.150 8.817) 11.323 9.125 ( 1.968 -1.792 2.810) 3.870 9.284 ( 0.424 4.358 -3.466) 5.585 9.303 ( 0.673 3.045 -2.680) 4.112 9.419 ( -0.879 2.441 -1.311) 2.907 9.522 ( -3.616 -6.166 -9.974) 12.271 9.938 ( -0.181 3.636 0.982) 3.770 9.956 ( -1.152 1.906 -0.868) 2.390 10.328 ( -0.095 5.265 4.102) 6.675 10.370 ( -0.004 1.911 0.123) 1.915 10.489 ( -0.218 -0.042 -0.020) 0.223 10.504 ( 2.595 -1.751 -1.065) 3.307 11.234 ( 1.160 2.572 2.646) 3.868 11.252 ( -0.004 0.786 1.496) 1.690 11.399 ( 0.337 -0.758 2.214) 2.364 11.444 ( -1.654 -2.714 -3.048) 4.404 11.499 ( -1.581 -0.849 -0.494) 1.861 11.548 ( 1.588 -3.835 -4.944) 6.456 11.829 ( -0.454 0.032 -0.360) 0.580 11.863 ( 0.095 -2.782 -3.713) 4.641 12.479 ( 1.884 1.551 8.317) 8.668 12.491 ( 0.338 1.043 10.006) 10.066 12.624 ( -3.443 2.147 -4.434) 6.011 12.692 ( -1.364 -3.842 -7.414) 8.461 13.767 ( 0.796 -1.775 0.586) 2.031 13.788 ( -0.573 -3.767 -1.573) 4.122 14.746 ( 0.600 0.607 0.355) 0.924 14.750 ( -0.632 0.736 0.066) 0.973 14.903 ( -1.750 1.163 2.645) 3.378 14.945 ( 3.664 -2.588 -1.472) 4.721 15.819 ( 2.402 0.358 4.073) 4.743 15.826 ( -1.012 -0.755 3.245) 3.481 16.740 ( -3.702 21.442 18.955) 28.857 17.035 ( 1.154 12.060 0.852) 12.145 17.382 ( -1.100 -5.579 0.837) 5.748 17.757 ( 5.117 -21.987 -25.840) 34.312 18.643 ( -0.414 1.933 2.368) 3.084 18.699 ( -3.069 -4.103 -3.851) 6.410 21.262 ( 0.749 6.157 6.145) 8.731 21.347 ( -0.195 -1.911 -2.824) 3.416 21.731 ( -0.393 -1.116 0.400) 1.249 21.748 ( 0.680 -2.794 -1.253) 3.137 22.274 ( 0.200 0.805 0.126) 0.839 22.285 ( -0.534 -0.289 -1.010) 1.179 ======================= Grid point 155 (85/90) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 19.746 0.966 0.059) 19.770 1.348 ( 20.505 -3.749 -2.324) 20.974 1.784 ( -4.630 7.780 3.231) 9.612 2.015 ( -5.828 -12.220 0.084) 13.539 2.119 ( 9.397 9.880 -6.104) 14.939 2.270 ( 6.656 -3.362 -1.350) 7.578 2.581 ( 0.866 1.774 3.618) 4.122 2.593 ( 1.467 0.635 -0.001) 1.599 2.974 ( -2.445 8.194 -0.427) 8.562 3.081 ( 2.104 -1.798 0.306) 2.784 3.273 ( -7.198 6.010 7.608) 12.076 3.299 ( -8.045 2.289 8.046) 11.606 3.564 ( -11.450 3.460 -7.092) 13.906 3.566 ( -3.877 5.981 0.858) 7.179 3.671 ( -10.239 -6.552 -6.451) 13.761 3.696 ( -5.781 -4.349 -0.730) 7.271 3.873 ( -9.763 2.914 -1.237) 10.263 3.951 ( -8.094 -3.481 -0.674) 8.836 4.226 ( 0.289 6.253 2.612) 6.783 4.298 ( 2.589 0.797 -4.420) 5.184 4.371 ( -10.304 1.477 1.633) 10.536 4.458 ( -9.283 3.878 3.540) 10.665 4.565 ( -10.388 -2.388 3.902) 11.351 4.739 ( -8.861 -10.220 3.061) 13.868 5.009 ( 11.405 4.193 -5.278) 13.248 5.082 ( 10.208 -2.516 -1.965) 10.695 5.382 ( 0.822 1.651 -5.198) 5.516 5.426 ( 2.580 -2.940 -6.551) 7.630 5.601 ( -1.518 6.057 0.700) 6.283 5.735 ( 3.343 -6.054 1.621) 7.103 5.771 ( 6.506 -0.664 -0.305) 6.547 5.841 ( 9.730 -7.192 0.534) 12.111 6.170 ( 0.361 1.277 9.349) 9.443 6.202 ( -0.426 -2.654 8.412) 8.831 6.480 ( 2.894 3.461 -6.670) 8.053 6.550 ( 1.752 -3.852 -2.807) 5.078 6.657 ( 8.277 -0.744 4.645) 9.520 6.689 ( 7.156 -2.663 1.032) 7.705 7.081 ( -0.493 4.313 6.555) 7.862 7.125 ( 0.018 -1.844 -2.721) 3.287 7.203 ( 0.643 0.248 0.655) 0.951 7.255 ( -1.207 -2.051 -2.104) 3.176 7.301 ( 1.198 5.953 -0.928) 6.143 7.408 ( 3.148 -2.606 -4.729) 6.250 7.699 ( -4.592 -2.006 -7.748) 9.227 7.745 ( -0.283 -5.201 -2.332) 5.706 7.996 ( -6.005 2.314 -0.907) 6.499 8.038 ( -3.746 -0.724 -0.373) 3.834 8.197 ( 2.071 3.212 6.672) 7.689 8.224 ( 3.135 -0.111 5.487) 6.321 8.486 ( 2.993 2.089 -0.827) 3.742 8.532 ( 4.967 -2.366 1.499) 5.702 9.053 ( -4.620 5.853 -7.056) 10.266 9.105 ( -1.130 1.519 0.302) 1.917 9.310 ( 3.645 3.289 -2.917) 5.711 9.340 ( 5.021 0.719 -0.599) 5.107 9.457 ( 2.298 -0.505 -2.475) 3.414 9.481 ( 4.357 -2.404 6.325) 8.048 9.965 ( 2.103 2.819 0.817) 3.611 9.976 ( 2.849 1.857 1.942) 3.917 10.291 ( -3.855 3.842 0.346) 5.453 10.337 ( -3.979 -0.064 0.501) 4.011 10.516 ( 3.917 3.579 -1.963) 5.657 10.571 ( 4.317 -1.090 -1.926) 4.851 11.205 ( -4.426 2.311 -1.193) 5.134 11.222 ( -3.518 0.667 0.484) 3.613 11.423 ( 0.748 -2.291 -1.218) 2.700 11.438 ( 2.043 -2.680 2.772) 4.364 11.484 ( -0.449 1.262 2.410) 2.757 11.562 ( 2.305 -4.786 -3.281) 6.244 11.789 ( -3.472 0.425 0.099) 3.499 11.826 ( -2.207 -2.785 -1.316) 3.789 12.451 ( -6.802 3.248 -0.620) 7.563 12.489 ( -6.494 0.229 3.615) 7.436 12.582 ( -1.372 1.364 4.815) 5.189 12.630 ( -1.067 -3.212 -1.009) 3.532 13.792 ( 2.523 -1.554 -1.057) 3.146 13.830 ( 4.595 -4.997 0.696) 6.824 14.575 ( -10.934 3.136 0.349) 11.381 14.643 ( -10.616 -3.608 0.343) 11.217 15.006 ( 7.990 3.891 -0.233) 8.890 15.088 ( 8.522 -3.586 -3.790) 9.992 15.794 ( -1.705 4.883 -0.419) 5.189 15.912 ( 5.077 -5.306 0.113) 7.345 16.706 ( -10.693 26.517 13.976) 31.824 17.009 ( -2.843 11.842 -3.110) 12.569 17.417 ( 0.996 -11.179 8.904) 14.326 17.703 ( 5.670 -23.501 -23.483) 33.703 18.701 ( 5.684 2.951 2.082) 6.734 18.762 ( 9.231 -2.934 3.676) 10.360 21.217 ( -8.545 3.319 1.031) 9.225 21.252 ( -7.757 0.082 -1.179) 7.846 21.740 ( 1.104 -0.474 0.230) 1.224 21.761 ( 1.368 -2.235 -0.865) 2.760 22.275 ( 0.122 1.031 -0.111) 1.044 22.289 ( 0.829 -0.259 0.463) 0.985 ======================= Grid point 156 (86/90) ======================= q-point: ( 0.29 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 12.985 7.886 -2.151) 15.344 1.685 ( 16.384 0.144 -0.341) 16.388 1.818 ( 7.689 -3.478 0.005) 8.439 1.956 ( 0.667 -12.470 -0.483) 12.497 2.261 ( 9.785 8.665 -3.965) 13.658 2.379 ( 5.522 -2.280 -1.171) 6.087 2.607 ( 0.170 6.178 4.696) 7.762 2.657 ( 2.145 -0.278 6.467) 6.820 2.942 ( -1.097 11.402 0.448) 11.463 3.058 ( -5.706 3.114 -1.667) 6.711 3.187 ( -8.400 3.724 3.852) 9.963 3.205 ( -7.175 3.427 3.421) 8.656 3.254 ( -12.506 -0.707 -4.161) 13.199 3.369 ( -12.923 -10.273 -5.573) 17.424 3.497 ( -4.892 7.410 4.309) 9.870 3.579 ( -7.572 0.863 0.094) 7.622 3.625 ( -13.143 -1.038 -2.803) 13.479 3.818 ( -6.780 -11.750 -1.144) 13.614 4.172 ( -6.817 1.249 -3.080) 7.584 4.191 ( -3.427 7.719 1.979) 8.674 4.243 ( -9.145 -4.315 -3.255) 10.623 4.347 ( -7.511 -6.122 1.995) 9.894 4.521 ( 2.531 4.565 5.013) 7.237 4.620 ( -3.871 -5.267 3.598) 7.461 5.122 ( 4.787 7.008 -3.363) 9.129 5.244 ( 7.594 -4.665 -2.733) 9.323 5.358 ( -0.137 1.726 -3.781) 4.158 5.405 ( -0.767 -3.001 -4.898) 5.795 5.654 ( 5.702 6.825 1.837) 9.082 5.785 ( 2.080 -4.533 4.159) 6.494 5.928 ( 6.956 1.917 1.855) 7.450 5.986 ( 3.138 -4.172 0.938) 5.304 6.246 ( 3.481 3.045 5.580) 7.247 6.290 ( 4.238 -0.448 5.338) 6.831 6.572 ( 9.450 -2.530 -1.859) 9.958 6.601 ( 5.096 -4.941 -1.274) 7.212 6.775 ( 2.736 1.778 -0.576) 3.313 6.806 ( 3.471 -1.973 1.909) 4.425 7.064 ( -0.767 4.552 -1.180) 4.765 7.150 ( 2.833 1.323 0.882) 3.249 7.170 ( -5.406 -2.659 -1.117) 6.128 7.235 ( 0.521 -4.591 1.778) 4.951 7.337 ( 0.930 2.099 -0.105) 2.299 7.427 ( -1.594 -5.745 0.662) 5.999 7.583 ( 1.413 3.485 -12.732) 13.276 7.698 ( -0.150 -6.405 -10.009) 11.884 7.887 ( -4.168 3.992 -0.121) 5.773 7.969 ( -4.642 -3.342 3.334) 6.621 8.287 ( 3.404 3.074 4.783) 6.627 8.322 ( 3.757 -0.589 5.129) 6.385 8.525 ( -0.015 4.409 0.020) 4.409 8.610 ( 0.650 -3.434 2.625) 4.371 8.949 ( -2.094 4.606 -3.543) 6.177 9.021 ( -3.210 -2.111 -5.896) 7.037 9.400 ( 6.164 3.376 -5.309) 8.808 9.412 ( 4.962 1.964 -4.793) 7.173 9.570 ( 7.699 3.445 6.740) 10.797 9.627 ( 6.201 -2.116 9.427) 11.481 10.014 ( 1.644 2.767 0.874) 3.335 10.046 ( 2.005 0.136 3.302) 3.866 10.223 ( -2.515 3.465 -1.182) 4.441 10.264 ( -3.147 -0.124 0.119) 3.152 10.576 ( 3.618 4.582 -2.843) 6.494 10.625 ( 3.096 0.114 -3.463) 4.647 11.104 ( -5.001 2.567 -1.344) 5.780 11.140 ( -4.926 -0.890 -0.151) 5.008 11.431 ( 1.072 0.331 -2.319) 2.576 11.482 ( 0.163 -1.033 2.456) 2.670 11.520 ( 2.493 -2.362 3.396) 4.830 11.585 ( 1.199 -4.382 0.742) 4.603 11.736 ( -1.469 0.349 -0.148) 1.517 11.774 ( -3.055 -3.279 0.498) 4.510 12.311 ( -6.403 3.058 -2.371) 7.481 12.343 ( -9.142 0.401 0.148) 9.152 12.558 ( -4.134 2.097 3.524) 5.823 12.606 ( -3.250 -2.369 2.125) 4.549 13.854 ( 4.656 1.417 0.260) 4.874 13.941 ( 6.654 -6.973 1.369) 9.735 14.388 ( -9.956 2.605 0.958) 10.336 14.458 ( -10.000 -4.647 1.711) 11.159 15.119 ( 5.244 2.569 -0.933) 5.913 15.196 ( 6.338 -3.925 -1.943) 7.704 15.746 ( -1.981 9.525 -7.257) 12.137 15.974 ( 2.860 -10.877 -9.406) 14.662 16.580 ( -9.566 29.523 13.167) 33.712 16.892 ( -7.252 6.305 -2.507) 9.932 17.501 ( 1.722 -10.473 9.221) 14.060 17.704 ( 6.881 -21.459 -15.126) 27.142 18.891 ( 11.896 6.436 4.696) 14.317 19.007 ( 13.166 -5.693 5.218) 15.264 20.997 ( -12.407 5.147 -4.028) 14.023 21.067 ( -12.367 -1.916 0.603) 12.529 21.768 ( 1.661 0.099 0.092) 1.667 21.784 ( 1.413 -1.215 -0.439) 1.915 22.284 ( 0.598 1.542 0.516) 1.733 22.306 ( 0.607 -0.534 0.441) 0.921 ======================= Grid point 157 (87/90) ======================= q-point: ( 0.43 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 7.049 6.183 1.138) 9.445 1.869 ( 3.640 5.531 -2.169) 6.967 1.950 ( 5.616 -7.298 0.789) 9.243 2.021 ( 3.863 -8.487 -1.525) 9.449 2.375 ( 2.250 7.583 0.663) 7.938 2.439 ( 2.271 3.663 -3.139) 5.332 2.646 ( -0.698 7.902 6.605) 10.323 2.738 ( 1.304 -2.764 8.573) 9.102 2.858 ( -6.055 12.022 -7.671) 15.493 2.966 ( 2.833 1.598 -0.801) 3.350 3.042 ( -6.024 4.547 -2.796) 8.049 3.083 ( -2.676 0.872 2.958) 4.083 3.133 ( -0.820 -8.615 -2.574) 9.029 3.210 ( -6.470 -7.480 0.152) 9.891 3.362 ( -9.438 2.266 -2.841) 10.114 3.384 ( -7.517 1.849 -2.566) 8.155 3.589 ( 3.115 -1.249 5.698) 6.613 3.704 ( -4.189 -9.950 1.056) 10.848 4.099 ( -4.757 -1.298 1.511) 5.158 4.104 ( 0.759 -2.670 -2.412) 3.678 4.157 ( -1.039 2.112 1.266) 2.673 4.219 ( -5.223 -2.213 -0.907) 5.744 4.577 ( 0.116 2.945 2.718) 4.009 4.607 ( 0.207 0.013 -0.287) 0.354 5.184 ( 4.109 6.012 -1.550) 7.445 5.296 ( 0.064 -4.605 -6.139) 7.675 5.347 ( 0.033 1.680 0.575) 1.776 5.383 ( 1.375 -1.058 -1.303) 2.170 5.776 ( 5.492 4.797 1.439) 7.432 5.839 ( 0.199 0.458 3.603) 3.638 5.975 ( -2.932 -0.111 2.063) 3.587 6.012 ( 1.308 -2.241 0.299) 2.612 6.338 ( 3.142 3.712 2.297) 5.379 6.383 ( 3.042 1.180 1.014) 3.416 6.693 ( 3.422 -3.324 0.841) 4.844 6.731 ( 6.030 -5.651 -2.374) 8.598 6.780 ( -2.192 2.801 6.434) 7.351 6.854 ( 1.888 -5.316 1.911) 5.956 7.069 ( -3.561 0.944 -0.875) 3.786 7.076 ( 1.600 -1.236 0.731) 2.150 7.185 ( 0.309 -0.142 -5.919) 5.928 7.211 ( -1.917 -2.694 -5.651) 6.547 7.334 ( 1.092 -0.586 3.851) 4.046 7.363 ( -6.318 -3.354 6.905) 9.942 7.600 ( 5.667 1.820 -12.078) 13.465 7.643 ( -0.578 -1.739 -10.392) 10.553 7.866 ( 1.250 0.253 2.481) 2.790 7.913 ( -3.336 -3.948 3.939) 6.499 8.368 ( 3.221 3.396 1.841) 5.030 8.417 ( 2.932 -1.122 3.531) 4.725 8.475 ( -3.180 5.354 -1.090) 6.322 8.569 ( -4.882 -3.233 -0.659) 5.893 8.935 ( -0.046 2.696 2.284) 3.534 8.975 ( 0.632 -0.884 -1.745) 2.056 9.434 ( 2.653 3.050 -7.417) 8.447 9.460 ( 3.057 0.785 -7.984) 8.586 9.768 ( 7.056 4.550 10.545) 13.479 9.802 ( 6.532 0.432 8.574) 10.787 10.001 ( -2.969 1.192 -0.726) 3.281 10.037 ( -4.536 -1.076 0.335) 4.674 10.219 ( 1.827 3.541 0.167) 3.988 10.249 ( 0.919 0.963 0.044) 1.332 10.600 ( 0.624 4.262 -2.321) 4.893 10.632 ( -0.098 1.284 -3.927) 4.132 11.037 ( -1.156 1.650 -0.161) 2.021 11.061 ( -3.162 -0.553 0.024) 3.210 11.438 ( 0.512 0.800 -0.505) 1.076 11.470 ( -1.300 -2.165 -0.933) 2.692 11.597 ( 4.257 -1.193 1.546) 4.683 11.636 ( 2.057 -4.529 5.140) 7.153 11.712 ( -1.696 -0.632 -1.768) 2.530 11.737 ( -0.632 -3.790 -0.229) 3.849 12.196 ( -7.120 3.997 2.883) 8.659 12.221 ( -1.409 1.883 -2.200) 3.220 12.499 ( -2.548 1.393 1.045) 3.086 12.538 ( -3.693 -1.862 -0.375) 4.153 13.972 ( 6.820 4.466 3.546) 8.890 14.083 ( 6.812 -6.151 1.865) 9.366 14.220 ( -7.834 0.816 -0.477) 7.891 14.295 ( -8.079 -6.709 -0.223) 10.504 15.221 ( 5.717 3.299 3.837) 7.635 15.334 ( 7.317 -6.430 7.006) 11.999 15.604 ( -6.897 10.515 -13.514) 18.460 15.858 ( -6.204 -11.434 -18.165) 22.343 16.553 ( -3.585 24.857 15.791) 29.666 16.770 ( -3.589 9.236 -1.521) 10.024 17.565 ( -0.806 -9.109 8.381) 12.405 17.761 ( 8.129 -21.613 -13.509) 26.752 19.135 ( 9.310 5.462 6.327) 12.512 19.232 ( 6.368 -4.283 2.940) 8.218 20.795 ( -5.160 4.297 -2.838) 7.290 20.846 ( -9.781 -0.988 -1.391) 9.929 21.794 ( 0.915 0.156 0.072) 0.931 21.801 ( 0.488 -0.427 -0.193) 0.677 22.299 ( 0.476 1.238 0.727) 1.512 22.313 ( 0.056 -0.165 0.037) 0.178 ======================= Grid point 158 (88/90) ======================= q-point: (-0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -6.142 8.363 0.931) 10.418 1.889 ( -2.204 3.324 -3.475) 5.290 1.966 ( -9.018 -4.191 -0.729) 9.971 1.998 ( -2.166 -9.666 0.926) 9.949 2.373 ( -3.812 9.496 1.436) 10.333 2.447 ( 1.463 2.792 -4.077) 5.153 2.693 ( 2.825 4.896 5.962) 8.215 2.803 ( 2.218 5.351 -4.740) 7.485 2.813 ( 4.541 2.353 7.588) 9.151 2.890 ( -3.086 1.461 -5.892) 6.810 3.051 ( -2.877 4.873 -0.941) 5.737 3.109 ( -1.437 -5.253 1.908) 5.771 3.118 ( 6.681 2.810 0.434) 7.261 3.232 ( 8.328 -10.676 -2.505) 13.770 3.302 ( 5.805 -0.952 3.315) 6.752 3.333 ( 6.039 -0.681 -0.110) 6.078 3.662 ( -0.938 -1.296 -1.043) 1.910 3.699 ( 4.474 -4.670 2.780) 7.039 4.058 ( -0.660 0.053 1.700) 1.824 4.113 ( 0.281 -4.176 1.011) 4.306 4.185 ( 5.025 3.101 -2.190) 6.298 4.240 ( 7.943 -1.844 -2.312) 8.476 4.567 ( -1.551 4.068 2.152) 4.856 4.629 ( 2.687 -1.639 -1.383) 3.438 5.205 ( -5.507 1.591 -4.204) 7.109 5.223 ( -0.856 -0.741 0.184) 1.147 5.366 ( 1.443 2.345 0.831) 2.876 5.397 ( 1.049 -1.136 -4.129) 4.409 5.803 ( -4.621 6.331 -0.224) 7.841 5.854 ( 1.842 2.622 1.407) 3.500 5.959 ( -1.282 -1.306 5.154) 5.469 6.004 ( -1.316 -5.624 -1.071) 5.874 6.381 ( -0.030 3.506 1.496) 3.812 6.405 ( 0.761 3.212 -2.925) 4.410 6.655 ( -9.055 -4.907 3.599) 10.910 6.687 ( -7.595 -6.446 -0.095) 9.962 6.806 ( -0.988 1.910 8.067) 8.348 6.882 ( -2.309 -4.178 0.473) 4.797 7.065 ( 2.658 2.479 0.368) 3.653 7.114 ( 2.100 -1.583 -4.513) 5.224 7.145 ( 0.796 -1.494 -3.549) 3.932 7.155 ( -0.503 -3.445 -0.189) 3.487 7.330 ( 0.062 3.555 3.929) 5.299 7.416 ( 3.585 -4.524 2.490) 6.287 7.533 ( -4.295 0.658 -5.202) 6.778 7.582 ( -2.435 -3.679 -5.722) 7.225 7.883 ( 0.558 1.876 0.819) 2.121 7.960 ( 5.040 -4.787 -0.266) 6.956 8.353 ( -5.365 4.992 1.651) 7.512 8.434 ( -0.223 -0.456 0.437) 0.669 8.464 ( -2.013 2.733 0.891) 3.510 8.546 ( 4.786 -2.815 1.366) 5.718 8.948 ( -0.534 2.978 2.633) 4.011 8.988 ( 0.827 -0.770 -1.404) 1.802 9.414 ( -0.838 2.622 -5.000) 5.708 9.430 ( -0.729 0.920 -7.397) 7.489 9.871 ( -4.555 4.253 3.386) 7.092 9.903 ( -7.267 0.416 -2.076) 7.570 9.952 ( 4.048 2.533 5.344) 7.166 9.977 ( 3.100 -0.024 3.365) 4.575 10.241 ( 0.293 2.082 -0.220) 2.114 10.254 ( -0.426 1.089 -2.586) 2.838 10.580 ( -2.109 2.831 0.208) 3.536 10.590 ( -2.009 2.105 -0.801) 3.018 11.038 ( 0.810 1.626 -0.084) 1.819 11.062 ( 3.276 -0.484 -0.042) 3.312 11.412 ( -2.808 1.335 1.581) 3.488 11.475 ( 1.802 -3.805 -0.739) 4.275 11.629 ( -2.270 0.113 -1.431) 2.686 11.690 ( 3.298 1.485 0.530) 3.656 11.703 ( -0.329 -6.479 -2.327) 6.892 11.748 ( 4.069 -4.525 -0.910) 6.153 12.139 ( -1.306 7.102 5.623) 9.152 12.230 ( 2.433 -1.163 -0.386) 2.725 12.503 ( 2.796 1.319 0.781) 3.189 12.531 ( 3.890 -1.118 0.165) 4.051 14.011 ( -8.355 2.295 0.202) 8.667 14.066 ( -5.441 -2.210 3.252) 6.713 14.225 ( 7.557 -0.254 -1.279) 7.669 14.305 ( 10.560 -6.552 -1.255) 12.491 15.335 ( -5.162 5.339 -0.550) 7.447 15.393 ( -1.454 4.602 -0.353) 4.839 15.489 ( -1.694 -3.230 6.220) 7.211 15.633 ( -0.335 -11.932 -9.650) 15.349 16.588 ( -2.662 20.160 12.993) 24.132 16.756 ( 2.507 12.434 -1.129) 12.734 17.569 ( -2.765 -6.278 4.550) 8.232 17.820 ( 7.250 -21.878 -15.573) 27.816 19.202 ( -8.383 2.214 0.626) 8.693 19.241 ( -3.584 -1.575 1.617) 4.235 20.763 ( 2.488 5.024 0.149) 5.608 20.834 ( 9.762 -1.829 -0.360) 9.939 21.796 ( -0.880 0.054 -0.060) 0.883 21.798 ( -0.584 -0.248 0.038) 0.635 22.306 ( -0.344 0.794 0.256) 0.903 22.312 ( 0.102 0.186 -0.016) 0.212 ======================= Grid point 159 (89/90) ======================= q-point: (-0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -18.066 6.866 0.633) 19.337 1.689 ( -16.891 -2.450 -1.207) 17.111 1.798 ( -4.663 1.939 2.131) 5.481 1.958 ( 0.090 -11.414 -0.644) 11.433 2.232 ( -10.816 10.789 -0.311) 15.280 2.398 ( -4.314 -3.938 -3.541) 6.830 2.694 ( -1.959 4.754 -3.347) 6.136 2.776 ( -2.855 -3.593 -4.692) 6.563 2.942 ( 3.326 11.132 1.353) 11.697 3.007 ( 9.685 5.023 2.368) 11.165 3.102 ( 10.451 2.107 7.687) 13.143 3.166 ( 5.183 -2.749 4.563) 7.433 3.252 ( 10.562 3.875 -3.150) 11.683 3.361 ( 8.406 -5.824 -1.699) 10.367 3.533 ( 13.504 3.423 3.159) 14.284 3.560 ( 13.179 0.165 2.768) 13.468 3.639 ( 1.910 0.632 -5.440) 5.800 3.790 ( 4.269 -10.124 1.924) 11.155 4.111 ( 4.856 2.498 2.057) 5.835 4.174 ( 5.175 -3.090 1.846) 6.304 4.289 ( 8.502 5.640 -4.409) 11.115 4.408 ( 11.212 -3.782 -3.495) 12.338 4.566 ( 0.094 4.374 1.605) 4.660 4.682 ( 4.427 -5.712 -2.381) 7.609 5.074 ( -6.269 4.542 -1.262) 7.843 5.161 ( -6.147 -4.108 2.015) 7.663 5.366 ( -1.199 0.052 -2.779) 3.027 5.392 ( 0.866 -1.369 -2.704) 3.152 5.701 ( -4.977 8.015 -1.987) 9.641 5.849 ( -2.529 -1.904 -1.173) 3.375 5.942 ( -4.080 0.172 1.846) 4.481 5.961 ( -3.926 -5.062 0.773) 6.452 6.339 ( -3.238 2.602 -2.368) 4.781 6.386 ( -1.635 1.056 -4.198) 4.627 6.482 ( -11.836 -3.623 6.871) 14.157 6.533 ( -9.045 -6.689 4.935) 12.285 6.787 ( -3.372 1.461 -1.085) 3.832 6.828 ( -1.594 -2.077 1.358) 2.950 7.047 ( -5.703 3.533 0.600) 6.736 7.099 ( -3.770 0.626 4.183) 5.666 7.167 ( 4.856 -1.347 -2.279) 5.531 7.207 ( 1.890 -4.467 3.273) 5.851 7.368 ( -1.762 1.220 3.217) 3.865 7.428 ( 2.205 1.432 3.095) 4.061 7.442 ( -4.008 0.359 -5.192) 6.569 7.609 ( 8.984 -8.997 -2.969) 13.057 7.913 ( 2.665 5.439 -1.368) 6.209 8.029 ( 2.903 -4.997 -1.248) 5.912 8.277 ( -4.662 4.229 3.193) 7.058 8.357 ( -4.772 -3.109 0.019) 5.696 8.509 ( 1.605 6.397 2.496) 7.052 8.629 ( 2.360 -4.979 1.602) 5.738 8.937 ( -1.485 3.463 0.306) 3.780 8.983 ( 0.383 -1.068 -1.536) 1.910 9.349 ( -3.169 3.495 -2.222) 5.215 9.370 ( -2.191 1.506 -3.076) 4.066 9.713 ( -8.409 3.500 -6.162) 10.997 9.769 ( -5.460 -1.905 -4.190) 7.141 10.010 ( -0.875 5.774 1.946) 6.156 10.066 ( 1.212 0.868 3.642) 3.935 10.212 ( -0.607 2.941 -2.458) 3.881 10.256 ( 2.198 -0.709 0.631) 2.394 10.532 ( -3.085 2.622 1.304) 4.253 10.558 ( -2.539 0.327 2.807) 3.799 11.084 ( 3.781 2.974 0.615) 4.850 11.135 ( 4.107 -1.624 0.352) 4.430 11.385 ( -1.426 3.193 2.696) 4.416 11.498 ( 0.343 -7.073 0.818) 7.128 11.592 ( 0.134 1.116 -4.731) 4.863 11.628 ( -3.138 -1.150 -4.263) 5.417 11.774 ( 3.865 -1.753 -2.640) 4.998 11.806 ( 3.791 -4.023 -2.096) 5.912 12.216 ( 4.678 4.931 7.333) 9.999 12.291 ( 3.300 -1.889 4.030) 5.541 12.613 ( 7.842 1.234 -1.539) 8.086 12.632 ( 5.451 -0.793 0.117) 5.510 13.868 ( -6.246 2.124 -0.942) 6.664 13.950 ( -6.603 -6.247 0.415) 9.100 14.406 ( 10.498 3.397 -0.697) 11.056 14.492 ( 10.022 -4.893 -1.619) 11.270 15.131 ( -9.330 4.072 -2.716) 10.536 15.235 ( -10.969 -4.620 -4.486) 12.720 15.578 ( 5.875 6.098 8.446) 11.960 15.745 ( 3.178 -10.261 11.688) 15.875 16.614 ( -1.440 19.692 9.917) 22.095 16.831 ( 4.877 9.301 2.796) 10.868 17.523 ( -3.354 -2.046 -0.980) 4.049 17.835 ( 5.431 -20.393 -18.342) 27.961 18.964 ( -14.024 5.927 -2.565) 15.439 19.090 ( -11.407 -7.834 -2.492) 14.061 20.914 ( 10.783 9.575 3.909) 14.941 21.071 ( 13.989 -5.847 0.024) 15.162 21.772 ( -1.338 -0.245 -0.285) 1.389 21.778 ( -1.634 -0.685 0.189) 1.782 22.294 ( -0.757 1.333 -0.332) 1.569 22.313 ( -0.124 -0.573 -0.216) 0.625 ======================= Grid point 160 (90/90) ======================= q-point: (-0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -19.967 2.928 3.933) 20.560 1.329 ( -19.310 -6.028 0.605) 20.238 1.823 ( 5.552 6.464 -0.195) 8.523 2.007 ( 1.099 -5.862 1.633) 6.184 2.050 ( -4.665 8.224 -0.267) 9.459 2.270 ( -6.979 -7.878 -2.087) 10.730 2.619 ( -3.770 5.508 -2.848) 7.257 2.701 ( -1.794 -2.034 -7.069) 7.572 2.985 ( 2.536 8.405 -1.570) 8.918 3.082 ( -0.964 -0.404 0.313) 1.091 3.328 ( 5.228 4.699 5.989) 9.235 3.351 ( 5.989 2.911 9.854) 11.893 3.410 ( 8.188 4.396 -2.319) 9.578 3.541 ( 10.403 -9.420 0.902) 14.063 3.654 ( 6.227 4.578 -4.010) 8.708 3.718 ( 6.548 -1.547 -1.728) 6.947 3.838 ( 10.653 2.766 2.244) 11.232 3.910 ( 7.523 -1.981 2.780) 8.262 4.211 ( 3.108 4.082 2.525) 5.719 4.271 ( 2.777 -2.378 -0.723) 3.727 4.439 ( 11.025 8.167 -4.248) 14.363 4.554 ( 4.432 5.463 -1.911) 7.290 4.626 ( 8.982 -3.925 -1.782) 9.963 4.787 ( 7.685 -9.473 -2.448) 12.442 4.952 ( -7.457 1.701 -0.741) 7.684 5.022 ( -10.113 -3.237 0.606) 10.635 5.338 ( 0.006 -0.164 0.486) 0.513 5.372 ( -0.861 -2.425 -2.231) 3.406 5.634 ( -0.407 4.826 -1.692) 5.131 5.775 ( -3.776 -4.566 -1.628) 6.145 5.818 ( -7.268 -2.882 -5.253) 9.419 5.855 ( -6.971 -3.314 -0.147) 7.720 6.261 ( -5.520 -1.000 1.212) 5.739 6.280 ( -8.554 -3.539 1.719) 9.416 6.362 ( -1.412 3.896 3.733) 5.578 6.470 ( -1.464 -6.339 4.802) 8.086 6.713 ( -5.338 2.548 -4.554) 7.465 6.759 ( -5.193 -1.746 -4.140) 6.867 6.979 ( -3.898 6.531 12.327) 14.485 7.067 ( -2.304 -2.382 8.753) 9.359 7.203 ( 0.576 0.143 -0.500) 0.776 7.261 ( 2.204 -5.084 -4.270) 6.995 7.356 ( -0.037 -0.698 -2.422) 2.520 7.358 ( 0.029 0.325 -0.322) 0.458 7.560 ( 7.191 6.583 2.402) 10.040 7.747 ( 6.178 -8.329 -0.830) 10.403 7.971 ( 4.048 4.728 0.392) 6.236 8.066 ( 2.073 -3.280 -0.254) 3.889 8.210 ( -5.022 3.076 3.856) 7.039 8.266 ( -5.190 -2.572 -0.369) 5.804 8.510 ( -1.961 5.345 -1.465) 5.879 8.611 ( -3.851 -4.251 -3.838) 6.901 8.934 ( 1.128 4.967 4.024) 6.491 9.025 ( 3.559 -3.478 4.657) 6.816 9.300 ( -0.976 4.323 -0.993) 4.542 9.322 ( -1.483 2.039 -1.098) 2.749 9.532 ( -6.495 5.755 -8.045) 11.833 9.649 ( -3.872 -4.986 -8.375) 10.487 9.968 ( -2.987 5.398 0.061) 6.170 10.020 ( -4.124 0.649 -2.441) 4.836 10.259 ( 3.457 5.034 4.011) 7.306 10.327 ( 3.839 -0.762 1.803) 4.309 10.489 ( -1.873 1.912 0.488) 2.721 10.527 ( -2.482 -1.298 1.911) 3.390 11.167 ( 3.906 3.129 2.159) 5.451 11.208 ( 3.103 -0.904 1.637) 3.623 11.386 ( -0.449 2.125 2.829) 3.567 11.493 ( -1.174 -7.613 -0.908) 7.756 11.545 ( -2.936 1.034 -2.708) 4.126 11.567 ( 0.465 -0.882 -6.686) 6.760 11.815 ( 2.556 -0.557 -2.494) 3.614 11.856 ( 2.969 -3.779 -3.398) 5.886 12.359 ( 5.234 2.582 7.937) 9.852 12.395 ( 3.502 -0.289 8.343) 9.053 12.682 ( 0.696 0.846 -3.473) 3.642 12.712 ( 3.962 -1.599 -5.234) 6.757 13.782 ( -2.778 0.763 -0.049) 2.881 13.846 ( -4.497 -5.632 -0.796) 7.251 14.585 ( 9.849 3.195 -0.673) 10.376 14.655 ( 9.254 -3.618 -0.826) 9.970 14.980 ( -7.671 2.951 2.287) 8.531 15.053 ( -8.027 -3.324 -0.474) 8.701 15.718 ( 4.227 4.343 7.073) 9.315 15.824 ( -0.901 -6.157 8.189) 10.285 16.667 ( -0.200 20.104 13.406) 24.164 16.951 ( 4.372 6.354 7.052) 10.451 17.443 ( -3.006 0.576 -5.267) 6.092 17.808 ( 4.787 -19.497 -21.654) 29.528 18.729 ( -9.216 5.492 -1.170) 10.792 18.858 ( -10.120 -8.871 -5.392) 14.498 21.134 ( 8.615 9.204 6.110) 14.009 21.282 ( 8.488 -5.135 -1.225) 9.996 21.748 ( -1.392 -1.084 0.047) 1.765 21.752 ( -0.587 -1.629 -0.520) 1.808 22.279 ( -0.535 1.484 -0.348) 1.616 22.303 ( -0.574 -0.952 -0.913) 1.438 =================== 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 3/30240 10.0 74.663 74.484 119.279 0.000 16.369 0.000 3/30240 20.0 17.279 15.843 23.275 0.000 0.832 0.000 3/30240 30.0 7.710 7.015 10.026 0.000 0.324 0.000 3/30240 40.0 4.731 4.313 5.990 0.000 0.208 0.000 3/30240 50.0 3.410 3.102 4.202 0.000 0.154 0.000 3/30240 60.0 2.688 2.438 3.230 0.000 0.122 0.000 3/30240 70.0 2.237 2.025 2.631 0.000 0.101 0.000 3/30240 80.0 1.929 1.745 2.230 0.000 0.086 0.000 3/30240 90.0 1.705 1.544 1.945 0.000 0.074 0.000 3/30240 100.0 1.534 1.393 1.733 0.000 0.066 0.000 3/30240 110.0 1.400 1.274 1.569 0.000 0.060 0.000 3/30240 120.0 1.290 1.179 1.439 0.000 0.055 0.000 3/30240 130.0 1.200 1.102 1.334 0.000 0.051 0.000 3/30240 140.0 1.125 1.037 1.246 0.000 0.048 0.000 3/30240 150.0 1.060 0.981 1.173 0.000 0.046 0.000 3/30240 160.0 1.004 0.933 1.110 0.000 0.044 0.000 3/30240 170.0 0.955 0.891 1.055 0.000 0.043 0.000 3/30240 180.0 0.912 0.854 1.007 0.000 0.042 0.000 3/30240 190.0 0.873 0.821 0.964 0.000 0.041 0.000 3/30240 200.0 0.839 0.791 0.926 0.000 0.041 0.000 3/30240 210.0 0.807 0.763 0.892 0.000 0.040 0.000 3/30240 220.0 0.778 0.738 0.860 0.000 0.040 0.000 3/30240 230.0 0.752 0.714 0.831 0.000 0.039 0.000 3/30240 240.0 0.727 0.693 0.804 0.000 0.039 0.000 3/30240 250.0 0.704 0.672 0.779 0.000 0.039 0.000 3/30240 260.0 0.683 0.653 0.756 0.000 0.038 0.000 3/30240 270.0 0.663 0.635 0.734 0.000 0.038 0.000 3/30240 280.0 0.644 0.618 0.713 0.000 0.038 0.000 3/30240 290.0 0.627 0.602 0.694 0.000 0.037 0.000 3/30240 300.0 0.610 0.586 0.675 0.000 0.037 0.000 3/30240 310.0 0.594 0.572 0.658 0.000 0.037 0.000 3/30240 320.0 0.579 0.558 0.642 0.000 0.036 0.000 3/30240 330.0 0.565 0.545 0.626 0.000 0.036 0.000 3/30240 340.0 0.551 0.532 0.611 0.000 0.036 0.000 3/30240 350.0 0.538 0.520 0.597 0.000 0.035 0.000 3/30240 360.0 0.526 0.508 0.583 0.000 0.035 0.000 3/30240 370.0 0.514 0.497 0.570 0.000 0.035 0.000 3/30240 380.0 0.503 0.487 0.557 0.000 0.034 0.000 3/30240 390.0 0.492 0.476 0.545 0.000 0.034 0.000 3/30240 400.0 0.482 0.466 0.534 0.000 0.033 0.000 3/30240 410.0 0.472 0.457 0.523 0.000 0.033 0.000 3/30240 420.0 0.462 0.448 0.512 0.000 0.033 0.000 3/30240 430.0 0.453 0.439 0.502 0.000 0.032 0.000 3/30240 440.0 0.444 0.431 0.492 0.000 0.032 0.000 3/30240 450.0 0.436 0.422 0.483 0.000 0.031 0.000 3/30240 460.0 0.427 0.414 0.474 0.000 0.031 0.000 3/30240 470.0 0.419 0.407 0.465 0.000 0.031 0.000 3/30240 480.0 0.412 0.400 0.456 0.000 0.030 0.000 3/30240 490.0 0.404 0.392 0.448 0.000 0.030 0.000 3/30240 500.0 0.397 0.386 0.440 0.000 0.030 0.000 3/30240 510.0 0.390 0.379 0.432 0.000 0.029 0.000 3/30240 520.0 0.384 0.372 0.425 0.000 0.029 0.000 3/30240 530.0 0.377 0.366 0.418 0.000 0.028 0.000 3/30240 540.0 0.371 0.360 0.411 0.000 0.028 0.000 3/30240 550.0 0.365 0.354 0.404 0.000 0.028 0.000 3/30240 560.0 0.359 0.349 0.398 0.000 0.027 0.000 3/30240 570.0 0.353 0.343 0.391 0.000 0.027 0.000 3/30240 580.0 0.348 0.338 0.385 0.000 0.027 0.000 3/30240 590.0 0.342 0.333 0.379 0.000 0.026 0.000 3/30240 600.0 0.337 0.328 0.374 0.000 0.026 0.000 3/30240 610.0 0.332 0.323 0.368 0.000 0.026 0.000 3/30240 620.0 0.327 0.318 0.362 0.000 0.025 0.000 3/30240 630.0 0.322 0.313 0.357 0.000 0.025 0.000 3/30240 640.0 0.318 0.309 0.352 0.000 0.025 0.000 3/30240 650.0 0.313 0.305 0.347 0.000 0.025 0.000 3/30240 660.0 0.309 0.300 0.342 0.000 0.024 0.000 3/30240 670.0 0.305 0.296 0.337 0.000 0.024 0.000 3/30240 680.0 0.300 0.292 0.333 0.000 0.024 0.000 3/30240 690.0 0.296 0.288 0.328 0.000 0.023 0.000 3/30240 700.0 0.292 0.284 0.324 0.000 0.023 0.000 3/30240 710.0 0.289 0.281 0.320 0.000 0.023 0.000 3/30240 720.0 0.285 0.277 0.316 0.000 0.023 0.000 3/30240 730.0 0.281 0.273 0.311 0.000 0.022 0.000 3/30240 740.0 0.278 0.270 0.307 0.000 0.022 0.000 3/30240 750.0 0.274 0.267 0.304 0.000 0.022 0.000 3/30240 760.0 0.271 0.263 0.300 0.000 0.022 0.000 3/30240 770.0 0.267 0.260 0.296 0.000 0.022 0.000 3/30240 780.0 0.264 0.257 0.293 0.000 0.021 0.000 3/30240 790.0 0.261 0.254 0.289 0.000 0.021 0.000 3/30240 800.0 0.258 0.251 0.286 0.000 0.021 0.000 3/30240 810.0 0.255 0.248 0.282 0.000 0.021 0.000 3/30240 820.0 0.252 0.245 0.279 0.000 0.020 0.000 3/30240 830.0 0.249 0.242 0.276 0.000 0.020 0.000 3/30240 840.0 0.246 0.240 0.273 0.000 0.020 0.000 3/30240 850.0 0.244 0.237 0.270 0.000 0.020 0.000 3/30240 860.0 0.241 0.234 0.267 0.000 0.020 0.000 3/30240 870.0 0.238 0.232 0.264 0.000 0.019 0.000 3/30240 880.0 0.236 0.229 0.261 0.000 0.019 0.000 3/30240 890.0 0.233 0.227 0.258 0.000 0.019 0.000 3/30240 900.0 0.231 0.224 0.255 0.000 0.019 0.000 3/30240 910.0 0.228 0.222 0.253 0.000 0.019 0.000 3/30240 920.0 0.226 0.220 0.250 0.000 0.018 0.000 3/30240 930.0 0.223 0.217 0.247 0.000 0.018 0.000 3/30240 940.0 0.221 0.215 0.245 0.000 0.018 0.000 3/30240 950.0 0.219 0.213 0.242 0.000 0.018 0.000 3/30240 960.0 0.217 0.211 0.240 0.000 0.018 0.000 3/30240 970.0 0.215 0.209 0.238 0.000 0.018 0.000 3/30240 980.0 0.212 0.207 0.235 0.000 0.017 0.000 3/30240 990.0 0.210 0.205 0.233 0.000 0.017 0.000 3/30240 1000.0 0.208 0.203 0.231 0.000 0.017 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:14:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|