----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:50:03]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.497844480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): *1 Ca 0.95415165591472 0.82600573335546 0.87117201423015 40.078 *2 Ca 0.79476094413073 0.83080128407963 0.53717532024447 40.078 3 Ca 0.70523905586927 0.33080128407963 0.03717532024447 40.078 4 Ca 0.54584834408528 0.32600573335546 0.37117201423015 40.078 5 Ca 0.45415165591472 0.67399426664454 0.87117201423015 40.078 6 Ca 0.29476094413073 0.66919871592037 0.53717532024447 40.078 7 Ca 0.20523905586927 0.16919871592037 0.03717532024447 40.078 8 Ca 0.04584834408528 0.17399426664454 0.37117201423015 40.078 *9 Cu 0.98866228340820 0.64077494114151 0.15396317322120 63.546 *10 Cu 0.76232706224366 0.86438625647154 0.25056767189218 63.546 11 Cu 0.73767293775634 0.36438625647154 0.75056767189218 63.546 12 Cu 0.51133771659180 0.14077494114151 0.65396317322120 63.546 13 Cu 0.48866228340820 0.85922505885849 0.15396317322120 63.546 14 Cu 0.26232706224366 0.63561374352846 0.25056767189218 63.546 15 Cu 0.23767293775634 0.13561374352846 0.75056767189218 63.546 16 Cu 0.01133771659180 0.35922505885849 0.65396317322120 63.546 *17 O 0.91844464947451 0.66206849339625 0.28936893181918 15.999 *18 O 0.94008929136001 0.33053007672659 0.52209749384743 15.999 *19 O 0.87556167177258 0.64269454367603 0.70318797814036 15.999 *20 O 0.83319576217367 0.84739675944151 0.11473079937205 15.999 *21 O 0.80910199159752 0.32847722386025 0.88173759723305 15.999 22 O 0.69089800840248 0.82847722386025 0.38173759723305 15.999 23 O 0.66680423782633 0.34739675944151 0.61473079937205 15.999 24 O 0.62443832822742 0.14269454367603 0.20318797814036 15.999 25 O 0.55991070863999 0.83053007672659 0.02209749384743 15.999 26 O 0.58155535052549 0.16206849339625 0.78936893181918 15.999 27 O 0.41844464947451 0.83793150660375 0.28936893181918 15.999 28 O 0.44008929136001 0.16946992327341 0.52209749384743 15.999 29 O 0.37556167177258 0.85730545632397 0.70318797814036 15.999 30 O 0.33319576217367 0.65260324055849 0.11473079937205 15.999 31 O 0.30910199159752 0.17152277613975 0.88173759723305 15.999 32 O 0.19089800840248 0.67152277613975 0.38173759723305 15.999 33 O 0.16680423782633 0.15260324055849 0.61473079937205 15.999 34 O 0.12443832822742 0.35730545632397 0.20318797814036 15.999 35 O 0.05991070863999 0.66946992327341 0.02209749384743 15.999 36 O 0.08155535052549 0.33793150660375 0.78936893181918 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.497844480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): *1 Ca 0.95415165591472 0.82600573335546 0.87117201423015 40.078 > 1 *2 Ca 0.79476094413073 0.83080128407963 0.53717532024447 40.078 > 2 3 Ca 0.70523905586927 0.33080128407963 0.03717532024447 40.078 > 3 4 Ca 0.54584834408528 0.32600573335546 0.37117201423015 40.078 > 4 5 Ca 0.45415165591472 0.67399426664454 0.87117201423015 40.078 > 5 6 Ca 0.29476094413073 0.66919871592037 0.53717532024447 40.078 > 6 7 Ca 0.20523905586927 0.16919871592037 0.03717532024447 40.078 > 7 8 Ca 0.04584834408528 0.17399426664454 0.37117201423015 40.078 > 8 *9 Cu 0.98866228340820 0.64077494114151 0.15396317322120 63.546 > 9 *10 Cu 0.76232706224366 0.86438625647154 0.25056767189218 63.546 > 10 11 Cu 0.73767293775634 0.36438625647154 0.75056767189218 63.546 > 11 12 Cu 0.51133771659180 0.14077494114151 0.65396317322120 63.546 > 12 13 Cu 0.48866228340820 0.85922505885849 0.15396317322120 63.546 > 13 14 Cu 0.26232706224366 0.63561374352846 0.25056767189218 63.546 > 14 15 Cu 0.23767293775634 0.13561374352846 0.75056767189218 63.546 > 15 16 Cu 0.01133771659180 0.35922505885849 0.65396317322120 63.546 > 16 *17 O 0.91844464947451 0.66206849339625 0.28936893181918 15.999 > 17 *18 O 0.94008929136001 0.33053007672659 0.52209749384743 15.999 > 18 *19 O 0.87556167177258 0.64269454367603 0.70318797814036 15.999 > 19 *20 O 0.83319576217367 0.84739675944151 0.11473079937205 15.999 > 20 *21 O 0.80910199159752 0.32847722386025 0.88173759723305 15.999 > 21 22 O 0.69089800840248 0.82847722386025 0.38173759723305 15.999 > 22 23 O 0.66680423782633 0.34739675944151 0.61473079937205 15.999 > 23 24 O 0.62443832822742 0.14269454367603 0.20318797814036 15.999 > 24 25 O 0.55991070863999 0.83053007672659 0.02209749384743 15.999 > 25 26 O 0.58155535052549 0.16206849339625 0.78936893181918 15.999 > 26 27 O 0.41844464947451 0.83793150660375 0.28936893181918 15.999 > 27 28 O 0.44008929136001 0.16946992327341 0.52209749384743 15.999 > 28 29 O 0.37556167177258 0.85730545632397 0.70318797814036 15.999 > 29 30 O 0.33319576217367 0.65260324055849 0.11473079937205 15.999 > 30 31 O 0.30910199159752 0.17152277613975 0.88173759723305 15.999 > 31 32 O 0.19089800840248 0.67152277613975 0.38173759723305 15.999 > 32 33 O 0.16680423782633 0.15260324055849 0.61473079937205 15.999 > 33 34 O 0.12443832822742 0.35730545632397 0.20318797814036 15.999 > 34 35 O 0.05991070863999 0.66946992327341 0.02209749384743 15.999 > 35 36 O 0.08155535052549 0.33793150660375 0.78936893181918 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493533440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): *1 Ca 0.95415165591472 0.27533524445182 0.87117201423015 40.078 > 1 2 Ca 0.95415165591472 0.60866857778515 0.87117201423015 40.078 > 1 3 Ca 0.95415165591472 0.94200191111849 0.87117201423015 40.078 > 1 *4 Ca 0.79476094413073 0.27693376135988 0.53717532024447 40.078 > 2 5 Ca 0.79476094413073 0.61026709469321 0.53717532024447 40.078 > 2 6 Ca 0.79476094413073 0.94360042802654 0.53717532024447 40.078 > 2 7 Ca 0.70523905586927 0.11026709469321 0.03717532024447 40.078 > 3 8 Ca 0.70523905586927 0.44360042802654 0.03717532024447 40.078 > 3 9 Ca 0.70523905586927 0.77693376135988 0.03717532024447 40.078 > 3 10 Ca 0.54584834408528 0.10866857778515 0.37117201423015 40.078 > 4 11 Ca 0.54584834408528 0.44200191111849 0.37117201423015 40.078 > 4 12 Ca 0.54584834408528 0.77533524445182 0.37117201423015 40.078 > 4 13 Ca 0.45415165591472 0.22466475554818 0.87117201423015 40.078 > 5 14 Ca 0.45415165591472 0.55799808888151 0.87117201423015 40.078 > 5 15 Ca 0.45415165591472 0.89133142221485 0.87117201423015 40.078 > 5 16 Ca 0.29476094413073 0.22306623864012 0.53717532024447 40.078 > 6 17 Ca 0.29476094413073 0.55639957197346 0.53717532024447 40.078 > 6 18 Ca 0.29476094413073 0.88973290530679 0.53717532024447 40.078 > 6 19 Ca 0.20523905586927 0.05639957197346 0.03717532024447 40.078 > 7 20 Ca 0.20523905586927 0.38973290530679 0.03717532024447 40.078 > 7 21 Ca 0.20523905586927 0.72306623864012 0.03717532024447 40.078 > 7 22 Ca 0.04584834408528 0.05799808888151 0.37117201423015 40.078 > 8 23 Ca 0.04584834408528 0.39133142221485 0.37117201423015 40.078 > 8 24 Ca 0.04584834408528 0.72466475554818 0.37117201423015 40.078 > 8 *25 Cu 0.98866228340820 0.21359164704717 0.15396317322120 63.546 > 9 26 Cu 0.98866228340820 0.54692498038050 0.15396317322120 63.546 > 9 27 Cu 0.98866228340820 0.88025831371384 0.15396317322120 63.546 > 9 *28 Cu 0.76232706224366 0.28812875215718 0.25056767189218 63.546 > 10 29 Cu 0.76232706224366 0.62146208549051 0.25056767189218 63.546 > 10 30 Cu 0.76232706224366 0.95479541882385 0.25056767189218 63.546 > 10 31 Cu 0.73767293775634 0.12146208549051 0.75056767189218 63.546 > 11 32 Cu 0.73767293775634 0.45479541882385 0.75056767189218 63.546 > 11 33 Cu 0.73767293775634 0.78812875215718 0.75056767189218 63.546 > 11 34 Cu 0.51133771659180 0.04692498038050 0.65396317322120 63.546 > 12 35 Cu 0.51133771659180 0.38025831371384 0.65396317322120 63.546 > 12 36 Cu 0.51133771659180 0.71359164704717 0.65396317322120 63.546 > 12 37 Cu 0.48866228340820 0.28640835295283 0.15396317322120 63.546 > 13 38 Cu 0.48866228340820 0.61974168628616 0.15396317322120 63.546 > 13 39 Cu 0.48866228340820 0.95307501961950 0.15396317322120 63.546 > 13 40 Cu 0.26232706224366 0.21187124784282 0.25056767189218 63.546 > 14 41 Cu 0.26232706224366 0.54520458117615 0.25056767189218 63.546 > 14 42 Cu 0.26232706224366 0.87853791450949 0.25056767189218 63.546 > 14 43 Cu 0.23767293775634 0.04520458117615 0.75056767189218 63.546 > 15 44 Cu 0.23767293775634 0.37853791450949 0.75056767189218 63.546 > 15 45 Cu 0.23767293775634 0.71187124784282 0.75056767189218 63.546 > 15 46 Cu 0.01133771659180 0.11974168628616 0.65396317322120 63.546 > 16 47 Cu 0.01133771659180 0.45307501961950 0.65396317322120 63.546 > 16 48 Cu 0.01133771659180 0.78640835295283 0.65396317322120 63.546 > 16 *49 O 0.91844464947451 0.22068949779875 0.28936893181918 15.999 > 17 50 O 0.91844464947451 0.55402283113208 0.28936893181918 15.999 > 17 51 O 0.91844464947451 0.88735616446542 0.28936893181918 15.999 > 17 *52 O 0.94008929136001 0.11017669224220 0.52209749384743 15.999 > 18 53 O 0.94008929136001 0.44351002557553 0.52209749384743 15.999 > 18 54 O 0.94008929136001 0.77684335890886 0.52209749384743 15.999 > 18 *55 O 0.87556167177258 0.21423151455868 0.70318797814036 15.999 > 19 56 O 0.87556167177258 0.54756484789201 0.70318797814036 15.999 > 19 57 O 0.87556167177258 0.88089818122534 0.70318797814036 15.999 > 19 *58 O 0.83319576217367 0.28246558648050 0.11473079937205 15.999 > 20 59 O 0.83319576217367 0.61579891981384 0.11473079937205 15.999 > 20 60 O 0.83319576217367 0.94913225314717 0.11473079937205 15.999 > 20 *61 O 0.80910199159752 0.10949240795342 0.88173759723305 15.999 > 21 62 O 0.80910199159752 0.44282574128675 0.88173759723305 15.999 > 21 63 O 0.80910199159752 0.77615907462008 0.88173759723305 15.999 > 21 64 O 0.69089800840248 0.27615907462008 0.38173759723305 15.999 > 22 65 O 0.69089800840248 0.60949240795342 0.38173759723305 15.999 > 22 66 O 0.69089800840248 0.94282574128675 0.38173759723305 15.999 > 22 67 O 0.66680423782633 0.11579891981384 0.61473079937205 15.999 > 23 68 O 0.66680423782633 0.44913225314717 0.61473079937205 15.999 > 23 69 O 0.66680423782633 0.78246558648050 0.61473079937205 15.999 > 23 70 O 0.62443832822742 0.04756484789201 0.20318797814036 15.999 > 24 71 O 0.62443832822742 0.38089818122534 0.20318797814036 15.999 > 24 72 O 0.62443832822742 0.71423151455868 0.20318797814036 15.999 > 24 73 O 0.55991070863999 0.27684335890886 0.02209749384743 15.999 > 25 74 O 0.55991070863999 0.61017669224220 0.02209749384743 15.999 > 25 75 O 0.55991070863999 0.94351002557553 0.02209749384743 15.999 > 25 76 O 0.58155535052549 0.05402283113208 0.78936893181918 15.999 > 26 77 O 0.58155535052549 0.38735616446542 0.78936893181918 15.999 > 26 78 O 0.58155535052549 0.72068949779875 0.78936893181918 15.999 > 26 79 O 0.41844464947451 0.27931050220125 0.28936893181918 15.999 > 27 80 O 0.41844464947451 0.61264383553458 0.28936893181918 15.999 > 27 81 O 0.41844464947451 0.94597716886792 0.28936893181918 15.999 > 27 82 O 0.44008929136001 0.05648997442447 0.52209749384743 15.999 > 28 83 O 0.44008929136001 0.38982330775780 0.52209749384743 15.999 > 28 84 O 0.44008929136001 0.72315664109114 0.52209749384743 15.999 > 28 85 O 0.37556167177258 0.28576848544132 0.70318797814036 15.999 > 29 86 O 0.37556167177258 0.61910181877466 0.70318797814036 15.999 > 29 87 O 0.37556167177258 0.95243515210799 0.70318797814036 15.999 > 29 88 O 0.33319576217367 0.21753441351950 0.11473079937205 15.999 > 30 89 O 0.33319576217367 0.55086774685283 0.11473079937205 15.999 > 30 90 O 0.33319576217367 0.88420108018616 0.11473079937205 15.999 > 30 91 O 0.30910199159752 0.05717425871325 0.88173759723305 15.999 > 31 92 O 0.30910199159752 0.39050759204658 0.88173759723305 15.999 > 31 93 O 0.30910199159752 0.72384092537992 0.88173759723305 15.999 > 31 94 O 0.19089800840248 0.22384092537992 0.38173759723305 15.999 > 32 95 O 0.19089800840248 0.55717425871325 0.38173759723305 15.999 > 32 96 O 0.19089800840248 0.89050759204658 0.38173759723305 15.999 > 32 97 O 0.16680423782633 0.05086774685283 0.61473079937205 15.999 > 33 98 O 0.16680423782633 0.38420108018616 0.61473079937205 15.999 > 33 99 O 0.16680423782633 0.71753441351950 0.61473079937205 15.999 > 33 100 O 0.12443832822742 0.11910181877466 0.20318797814036 15.999 > 34 101 O 0.12443832822742 0.45243515210799 0.20318797814036 15.999 > 34 102 O 0.12443832822742 0.78576848544132 0.20318797814036 15.999 > 34 103 O 0.05991070863999 0.22315664109114 0.02209749384743 15.999 > 35 104 O 0.05991070863999 0.55648997442447 0.02209749384743 15.999 > 35 105 O 0.05991070863999 0.88982330775780 0.02209749384743 15.999 > 35 106 O 0.08155535052549 0.11264383553458 0.78936893181918 15.999 > 36 107 O 0.08155535052549 0.44597716886792 0.78936893181918 15.999 > 36 108 O 0.08155535052549 0.77931050220125 0.78936893181918 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1673602 0.0000000 0.0000000 0.0000000 4.2407275 0.0000000 0.0000000 0.0000000 6.1355385 -------------------------- Born effective charges -------------------------- 1 Ca 2.4686240 -0.0848041 -0.3138546 0.2620034 2.5161772 0.3643032 0.4876979 -0.0106697 2.9336697 2 Ca 2.4778438 0.0809436 -0.2765090 -0.0968991 2.5101720 -0.3295804 0.4682045 -0.0808215 2.8983675 3 Ca 2.4778438 -0.0809436 0.2765090 0.0968991 2.5101720 -0.3295804 -0.4682045 -0.0808215 2.8983675 4 Ca 2.4686240 0.0848041 0.3138546 -0.2620034 2.5161772 0.3643032 -0.4876979 -0.0106697 2.9336697 5 Ca 2.4686240 0.0848041 -0.3138546 -0.2620034 2.5161772 -0.3643032 0.4876979 0.0106697 2.9336697 6 Ca 2.4778438 -0.0809436 -0.2765090 0.0968991 2.5101720 0.3295804 0.4682045 0.0808215 2.8983675 7 Ca 2.4778438 0.0809436 0.2765090 -0.0968991 2.5101720 0.3295804 -0.4682045 0.0808215 2.8983675 8 Ca 2.4686240 -0.0848041 0.3138546 0.2620034 2.5161772 -0.3643032 -0.4876979 0.0106697 2.9336697 9 Cu 2.2310779 -0.8564442 -0.4851390 -0.2370118 0.7647949 0.0062291 -0.5998971 -0.0102101 1.2330937 10 Cu 2.2908687 -0.8457902 -0.4847347 -0.2063769 0.7488103 -0.0060368 -0.6141429 0.0229806 1.2155445 11 Cu 2.2908687 0.8457902 0.4847347 0.2063769 0.7488103 -0.0060368 0.6141429 0.0229806 1.2155445 12 Cu 2.2310779 0.8564442 0.4851390 0.2370118 0.7647949 0.0062291 0.5998971 -0.0102101 1.2330937 13 Cu 2.2310779 0.8564442 -0.4851390 0.2370118 0.7647949 -0.0062291 -0.5998971 0.0102101 1.2330937 14 Cu 2.2908687 0.8457902 -0.4847347 0.2063769 0.7488103 0.0060368 -0.6141429 -0.0229806 1.2155445 15 Cu 2.2908687 -0.8457902 0.4847347 -0.2063769 0.7488103 0.0060368 0.6141429 -0.0229806 1.2155445 16 Cu 2.2310779 -0.8564442 0.4851390 -0.2370118 0.7647949 -0.0062291 0.5998971 0.0102101 1.2330937 17 O -1.8168905 0.4800464 -0.1520651 -0.0294808 -1.1289833 -0.0052734 0.0189849 -0.0281856 -1.1769703 18 O -1.8462480 -0.2374076 -0.4705351 -0.2269957 -1.4910420 0.1828890 -0.1576407 -0.1738530 -2.6234705 19 O -2.1371523 0.0096381 0.7875730 -0.0095250 -1.2908624 0.0015810 -0.0960982 0.0083290 -0.6138023 20 O -1.8487560 0.4727641 -0.1164375 -0.0188743 -1.1539995 -0.0047852 -0.0191569 0.0171022 -1.2476383 21 O -1.8193676 0.2226031 -0.4571714 0.0857570 -1.4750671 -0.0993726 -0.1667805 0.0645782 -2.6187941 22 O -1.8193676 -0.2226031 0.4571714 -0.0857570 -1.4750671 -0.0993726 0.1667805 0.0645782 -2.6187941 23 O -1.8487560 -0.4727641 0.1164375 0.0188743 -1.1539995 -0.0047852 0.0191569 0.0171022 -1.2476383 24 O -2.1371523 -0.0096381 -0.7875730 0.0095250 -1.2908624 0.0015810 0.0960982 0.0083290 -0.6138023 25 O -1.8462480 0.2374076 0.4705351 0.2269957 -1.4910420 0.1828890 0.1576407 -0.1738530 -2.6234705 26 O -1.8168905 -0.4800464 0.1520651 0.0294808 -1.1289833 -0.0052734 -0.0189849 -0.0281856 -1.1769703 27 O -1.8168905 -0.4800464 -0.1520651 0.0294808 -1.1289833 0.0052734 0.0189849 0.0281856 -1.1769703 28 O -1.8462480 0.2374076 -0.4705351 0.2269957 -1.4910420 -0.1828890 -0.1576407 0.1738530 -2.6234705 29 O -2.1371523 -0.0096381 0.7875730 0.0095250 -1.2908624 -0.0015810 -0.0960982 -0.0083290 -0.6138023 30 O -1.8487560 -0.4727641 -0.1164375 0.0188743 -1.1539995 0.0047852 -0.0191569 -0.0171022 -1.2476383 31 O -1.8193676 -0.2226031 -0.4571714 -0.0857570 -1.4750671 0.0993726 -0.1667805 -0.0645782 -2.6187941 32 O -1.8193676 0.2226031 0.4571714 0.0857570 -1.4750671 0.0993726 0.1667805 -0.0645782 -2.6187941 33 O -1.8487560 0.4727641 0.1164375 -0.0188743 -1.1539995 0.0047852 0.0191569 -0.0171022 -1.2476383 34 O -2.1371523 0.0096381 -0.7875730 -0.0095250 -1.2908624 -0.0015810 0.0960982 -0.0083290 -0.6138023 35 O -1.8462480 -0.2374076 0.4705351 -0.2269957 -1.4910420 -0.1828890 0.1576407 0.1738530 -2.6234705 36 O -1.8168905 0.4800464 0.1520651 -0.0294808 -1.1289833 0.0052734 -0.0189849 0.0281856 -1.1769703 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 455 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: - (4482, 4401), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 17), data: (972, 35) @ (35, 17) |-- (472, 455), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.083 Solver_block: 200 / 1120 - Time: 1.000 Solver_block: 300 / 1120 - Time: 0.979 Solver_block: 400 / 1120 - Time: 0.978 Solver_block: 500 / 1120 - Time: 0.987 Solver_block: 600 / 1120 - Time: 0.994 Solver_block: 700 / 1120 - Time: 0.987 Solver_block: 800 / 1120 - Time: 0.992 Solver_block: 900 / 1120 - Time: 0.977 Solver_block: 1000 / 1120 - Time: 0.981 Solver_block: 1100 / 1120 - Time: 0.989 Solver_block: 1120 / 1120 - Time: 0.350 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.561 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 454 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (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: 972 / 972 (1) 455 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 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: - (4482, 4401), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 17), data: (972, 35) @ (35, 17) |-- (472, 455), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:51:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.497844480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): 1 Ca 0.95415165591472 0.82600573335546 0.87117201423015 40.078 2 Ca 0.79476094413073 0.83080128407963 0.53717532024447 40.078 3 Ca 0.70523905586927 0.33080128407963 0.03717532024447 40.078 4 Ca 0.54584834408528 0.32600573335546 0.37117201423015 40.078 5 Ca 0.45415165591472 0.67399426664454 0.87117201423015 40.078 6 Ca 0.29476094413073 0.66919871592037 0.53717532024447 40.078 7 Ca 0.20523905586927 0.16919871592037 0.03717532024447 40.078 8 Ca 0.04584834408528 0.17399426664454 0.37117201423015 40.078 9 Cu 0.98866228340820 0.64077494114151 0.15396317322120 63.546 10 Cu 0.76232706224366 0.86438625647154 0.25056767189218 63.546 11 Cu 0.73767293775634 0.36438625647154 0.75056767189218 63.546 12 Cu 0.51133771659180 0.14077494114151 0.65396317322120 63.546 13 Cu 0.48866228340820 0.85922505885849 0.15396317322120 63.546 14 Cu 0.26232706224366 0.63561374352846 0.25056767189218 63.546 15 Cu 0.23767293775634 0.13561374352846 0.75056767189218 63.546 16 Cu 0.01133771659180 0.35922505885849 0.65396317322120 63.546 17 O 0.91844464947451 0.66206849339625 0.28936893181918 15.999 18 O 0.94008929136001 0.33053007672659 0.52209749384743 15.999 19 O 0.87556167177258 0.64269454367603 0.70318797814036 15.999 20 O 0.83319576217367 0.84739675944151 0.11473079937205 15.999 21 O 0.80910199159752 0.32847722386025 0.88173759723305 15.999 22 O 0.69089800840248 0.82847722386025 0.38173759723305 15.999 23 O 0.66680423782633 0.34739675944151 0.61473079937205 15.999 24 O 0.62443832822742 0.14269454367603 0.20318797814036 15.999 25 O 0.55991070863999 0.83053007672659 0.02209749384743 15.999 26 O 0.58155535052549 0.16206849339625 0.78936893181918 15.999 27 O 0.41844464947451 0.83793150660375 0.28936893181918 15.999 28 O 0.44008929136001 0.16946992327341 0.52209749384743 15.999 29 O 0.37556167177258 0.85730545632397 0.70318797814036 15.999 30 O 0.33319576217367 0.65260324055849 0.11473079937205 15.999 31 O 0.30910199159752 0.17152277613975 0.88173759723305 15.999 32 O 0.19089800840248 0.67152277613975 0.38173759723305 15.999 33 O 0.16680423782633 0.15260324055849 0.61473079937205 15.999 34 O 0.12443832822742 0.35730545632397 0.20318797814036 15.999 35 O 0.05991070863999 0.66946992327341 0.02209749384743 15.999 36 O 0.08155535052549 0.33793150660375 0.78936893181918 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493533440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): 1 Ca 0.95415165591472 0.27533524445182 0.87117201423015 40.078 > 1 2 Ca 0.95415165591472 0.60866857778515 0.87117201423015 40.078 > 1 3 Ca 0.95415165591472 0.94200191111849 0.87117201423015 40.078 > 1 4 Ca 0.79476094413073 0.27693376135988 0.53717532024447 40.078 > 4 5 Ca 0.79476094413073 0.61026709469321 0.53717532024447 40.078 > 4 6 Ca 0.79476094413073 0.94360042802654 0.53717532024447 40.078 > 4 7 Ca 0.70523905586927 0.11026709469321 0.03717532024447 40.078 > 7 8 Ca 0.70523905586927 0.44360042802654 0.03717532024447 40.078 > 7 9 Ca 0.70523905586927 0.77693376135988 0.03717532024447 40.078 > 7 10 Ca 0.54584834408528 0.10866857778515 0.37117201423015 40.078 > 10 11 Ca 0.54584834408528 0.44200191111849 0.37117201423015 40.078 > 10 12 Ca 0.54584834408528 0.77533524445182 0.37117201423015 40.078 > 10 13 Ca 0.45415165591472 0.22466475554818 0.87117201423015 40.078 > 13 14 Ca 0.45415165591472 0.55799808888151 0.87117201423015 40.078 > 13 15 Ca 0.45415165591472 0.89133142221485 0.87117201423015 40.078 > 13 16 Ca 0.29476094413073 0.22306623864012 0.53717532024447 40.078 > 16 17 Ca 0.29476094413073 0.55639957197346 0.53717532024447 40.078 > 16 18 Ca 0.29476094413073 0.88973290530679 0.53717532024447 40.078 > 16 19 Ca 0.20523905586927 0.05639957197346 0.03717532024447 40.078 > 19 20 Ca 0.20523905586927 0.38973290530679 0.03717532024447 40.078 > 19 21 Ca 0.20523905586927 0.72306623864012 0.03717532024447 40.078 > 19 22 Ca 0.04584834408528 0.05799808888151 0.37117201423015 40.078 > 22 23 Ca 0.04584834408528 0.39133142221485 0.37117201423015 40.078 > 22 24 Ca 0.04584834408528 0.72466475554818 0.37117201423015 40.078 > 22 25 Cu 0.98866228340820 0.21359164704717 0.15396317322120 63.546 > 25 26 Cu 0.98866228340820 0.54692498038050 0.15396317322120 63.546 > 25 27 Cu 0.98866228340820 0.88025831371384 0.15396317322120 63.546 > 25 28 Cu 0.76232706224366 0.28812875215718 0.25056767189218 63.546 > 28 29 Cu 0.76232706224366 0.62146208549051 0.25056767189218 63.546 > 28 30 Cu 0.76232706224366 0.95479541882385 0.25056767189218 63.546 > 28 31 Cu 0.73767293775634 0.12146208549051 0.75056767189218 63.546 > 31 32 Cu 0.73767293775634 0.45479541882385 0.75056767189218 63.546 > 31 33 Cu 0.73767293775634 0.78812875215718 0.75056767189218 63.546 > 31 34 Cu 0.51133771659180 0.04692498038050 0.65396317322120 63.546 > 34 35 Cu 0.51133771659180 0.38025831371384 0.65396317322120 63.546 > 34 36 Cu 0.51133771659180 0.71359164704717 0.65396317322120 63.546 > 34 37 Cu 0.48866228340820 0.28640835295283 0.15396317322120 63.546 > 37 38 Cu 0.48866228340820 0.61974168628616 0.15396317322120 63.546 > 37 39 Cu 0.48866228340820 0.95307501961950 0.15396317322120 63.546 > 37 40 Cu 0.26232706224366 0.21187124784282 0.25056767189218 63.546 > 40 41 Cu 0.26232706224366 0.54520458117615 0.25056767189218 63.546 > 40 42 Cu 0.26232706224366 0.87853791450949 0.25056767189218 63.546 > 40 43 Cu 0.23767293775634 0.04520458117615 0.75056767189218 63.546 > 43 44 Cu 0.23767293775634 0.37853791450949 0.75056767189218 63.546 > 43 45 Cu 0.23767293775634 0.71187124784282 0.75056767189218 63.546 > 43 46 Cu 0.01133771659180 0.11974168628616 0.65396317322120 63.546 > 46 47 Cu 0.01133771659180 0.45307501961950 0.65396317322120 63.546 > 46 48 Cu 0.01133771659180 0.78640835295283 0.65396317322120 63.546 > 46 49 O 0.91844464947451 0.22068949779875 0.28936893181918 15.999 > 49 50 O 0.91844464947451 0.55402283113208 0.28936893181918 15.999 > 49 51 O 0.91844464947451 0.88735616446542 0.28936893181918 15.999 > 49 52 O 0.94008929136001 0.11017669224220 0.52209749384743 15.999 > 52 53 O 0.94008929136001 0.44351002557553 0.52209749384743 15.999 > 52 54 O 0.94008929136001 0.77684335890886 0.52209749384743 15.999 > 52 55 O 0.87556167177258 0.21423151455868 0.70318797814036 15.999 > 55 56 O 0.87556167177258 0.54756484789201 0.70318797814036 15.999 > 55 57 O 0.87556167177258 0.88089818122534 0.70318797814036 15.999 > 55 58 O 0.83319576217367 0.28246558648050 0.11473079937205 15.999 > 58 59 O 0.83319576217367 0.61579891981384 0.11473079937205 15.999 > 58 60 O 0.83319576217367 0.94913225314717 0.11473079937205 15.999 > 58 61 O 0.80910199159752 0.10949240795342 0.88173759723305 15.999 > 61 62 O 0.80910199159752 0.44282574128675 0.88173759723305 15.999 > 61 63 O 0.80910199159752 0.77615907462008 0.88173759723305 15.999 > 61 64 O 0.69089800840248 0.27615907462008 0.38173759723305 15.999 > 64 65 O 0.69089800840248 0.60949240795342 0.38173759723305 15.999 > 64 66 O 0.69089800840248 0.94282574128675 0.38173759723305 15.999 > 64 67 O 0.66680423782633 0.11579891981384 0.61473079937205 15.999 > 67 68 O 0.66680423782633 0.44913225314717 0.61473079937205 15.999 > 67 69 O 0.66680423782633 0.78246558648050 0.61473079937205 15.999 > 67 70 O 0.62443832822742 0.04756484789201 0.20318797814036 15.999 > 70 71 O 0.62443832822742 0.38089818122534 0.20318797814036 15.999 > 70 72 O 0.62443832822742 0.71423151455868 0.20318797814036 15.999 > 70 73 O 0.55991070863999 0.27684335890886 0.02209749384743 15.999 > 73 74 O 0.55991070863999 0.61017669224220 0.02209749384743 15.999 > 73 75 O 0.55991070863999 0.94351002557553 0.02209749384743 15.999 > 73 76 O 0.58155535052549 0.05402283113208 0.78936893181918 15.999 > 76 77 O 0.58155535052549 0.38735616446542 0.78936893181918 15.999 > 76 78 O 0.58155535052549 0.72068949779875 0.78936893181918 15.999 > 76 79 O 0.41844464947451 0.27931050220125 0.28936893181918 15.999 > 79 80 O 0.41844464947451 0.61264383553458 0.28936893181918 15.999 > 79 81 O 0.41844464947451 0.94597716886792 0.28936893181918 15.999 > 79 82 O 0.44008929136001 0.05648997442447 0.52209749384743 15.999 > 82 83 O 0.44008929136001 0.38982330775780 0.52209749384743 15.999 > 82 84 O 0.44008929136001 0.72315664109114 0.52209749384743 15.999 > 82 85 O 0.37556167177258 0.28576848544132 0.70318797814036 15.999 > 85 86 O 0.37556167177258 0.61910181877466 0.70318797814036 15.999 > 85 87 O 0.37556167177258 0.95243515210799 0.70318797814036 15.999 > 85 88 O 0.33319576217367 0.21753441351950 0.11473079937205 15.999 > 88 89 O 0.33319576217367 0.55086774685283 0.11473079937205 15.999 > 88 90 O 0.33319576217367 0.88420108018616 0.11473079937205 15.999 > 88 91 O 0.30910199159752 0.05717425871325 0.88173759723305 15.999 > 91 92 O 0.30910199159752 0.39050759204658 0.88173759723305 15.999 > 91 93 O 0.30910199159752 0.72384092537992 0.88173759723305 15.999 > 91 94 O 0.19089800840248 0.22384092537992 0.38173759723305 15.999 > 94 95 O 0.19089800840248 0.55717425871325 0.38173759723305 15.999 > 94 96 O 0.19089800840248 0.89050759204658 0.38173759723305 15.999 > 94 97 O 0.16680423782633 0.05086774685283 0.61473079937205 15.999 > 97 98 O 0.16680423782633 0.38420108018616 0.61473079937205 15.999 > 97 99 O 0.16680423782633 0.71753441351950 0.61473079937205 15.999 > 97 100 O 0.12443832822742 0.11910181877466 0.20318797814036 15.999 > 100 101 O 0.12443832822742 0.45243515210799 0.20318797814036 15.999 > 100 102 O 0.12443832822742 0.78576848544132 0.20318797814036 15.999 > 100 103 O 0.05991070863999 0.22315664109114 0.02209749384743 15.999 > 103 104 O 0.05991070863999 0.55648997442447 0.02209749384743 15.999 > 103 105 O 0.05991070863999 0.88982330775780 0.02209749384743 15.999 > 103 106 O 0.08155535052549 0.11264383553458 0.78936893181918 15.999 > 106 107 O 0.08155535052549 0.44597716886792 0.78936893181918 15.999 > 106 108 O 0.08155535052549 0.77931050220125 0.78936893181918 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1673602 0.0000000 0.0000000 0.0000000 4.2407275 0.0000000 0.0000000 0.0000000 6.1355385 -------------------------- Born effective charges -------------------------- 1 Ca 2.4686240 -0.0848041 -0.3138546 0.2620034 2.5161772 0.3643032 0.4876979 -0.0106697 2.9336697 2 Ca 2.4778438 0.0809436 -0.2765090 -0.0968991 2.5101720 -0.3295804 0.4682045 -0.0808215 2.8983675 3 Ca 2.4778438 -0.0809436 0.2765090 0.0968991 2.5101720 -0.3295804 -0.4682045 -0.0808215 2.8983675 4 Ca 2.4686240 0.0848041 0.3138546 -0.2620034 2.5161772 0.3643032 -0.4876979 -0.0106697 2.9336697 5 Ca 2.4686240 0.0848041 -0.3138546 -0.2620034 2.5161772 -0.3643032 0.4876979 0.0106697 2.9336697 6 Ca 2.4778438 -0.0809436 -0.2765090 0.0968991 2.5101720 0.3295804 0.4682045 0.0808215 2.8983675 7 Ca 2.4778438 0.0809436 0.2765090 -0.0968991 2.5101720 0.3295804 -0.4682045 0.0808215 2.8983675 8 Ca 2.4686240 -0.0848041 0.3138546 0.2620034 2.5161772 -0.3643032 -0.4876979 0.0106697 2.9336697 9 Cu 2.2310779 -0.8564442 -0.4851390 -0.2370118 0.7647949 0.0062291 -0.5998971 -0.0102101 1.2330937 10 Cu 2.2908687 -0.8457902 -0.4847347 -0.2063769 0.7488103 -0.0060368 -0.6141429 0.0229806 1.2155445 11 Cu 2.2908687 0.8457902 0.4847347 0.2063769 0.7488103 -0.0060368 0.6141429 0.0229806 1.2155445 12 Cu 2.2310779 0.8564442 0.4851390 0.2370118 0.7647949 0.0062291 0.5998971 -0.0102101 1.2330937 13 Cu 2.2310779 0.8564442 -0.4851390 0.2370118 0.7647949 -0.0062291 -0.5998971 0.0102101 1.2330937 14 Cu 2.2908687 0.8457902 -0.4847347 0.2063769 0.7488103 0.0060368 -0.6141429 -0.0229806 1.2155445 15 Cu 2.2908687 -0.8457902 0.4847347 -0.2063769 0.7488103 0.0060368 0.6141429 -0.0229806 1.2155445 16 Cu 2.2310779 -0.8564442 0.4851390 -0.2370118 0.7647949 -0.0062291 0.5998971 0.0102101 1.2330937 17 O -1.8168905 0.4800464 -0.1520651 -0.0294808 -1.1289833 -0.0052734 0.0189849 -0.0281856 -1.1769703 18 O -1.8462480 -0.2374076 -0.4705351 -0.2269957 -1.4910420 0.1828890 -0.1576407 -0.1738530 -2.6234705 19 O -2.1371523 0.0096381 0.7875730 -0.0095250 -1.2908624 0.0015810 -0.0960982 0.0083290 -0.6138023 20 O -1.8487560 0.4727641 -0.1164375 -0.0188743 -1.1539995 -0.0047852 -0.0191569 0.0171022 -1.2476383 21 O -1.8193676 0.2226031 -0.4571714 0.0857570 -1.4750671 -0.0993726 -0.1667805 0.0645782 -2.6187941 22 O -1.8193676 -0.2226031 0.4571714 -0.0857570 -1.4750671 -0.0993726 0.1667805 0.0645782 -2.6187941 23 O -1.8487560 -0.4727641 0.1164375 0.0188743 -1.1539995 -0.0047852 0.0191569 0.0171022 -1.2476383 24 O -2.1371523 -0.0096381 -0.7875730 0.0095250 -1.2908624 0.0015810 0.0960982 0.0083290 -0.6138023 25 O -1.8462480 0.2374076 0.4705351 0.2269957 -1.4910420 0.1828890 0.1576407 -0.1738530 -2.6234705 26 O -1.8168905 -0.4800464 0.1520651 0.0294808 -1.1289833 -0.0052734 -0.0189849 -0.0281856 -1.1769703 27 O -1.8168905 -0.4800464 -0.1520651 0.0294808 -1.1289833 0.0052734 0.0189849 0.0281856 -1.1769703 28 O -1.8462480 0.2374076 -0.4705351 0.2269957 -1.4910420 -0.1828890 -0.1576407 0.1738530 -2.6234705 29 O -2.1371523 -0.0096381 0.7875730 0.0095250 -1.2908624 -0.0015810 -0.0960982 -0.0083290 -0.6138023 30 O -1.8487560 -0.4727641 -0.1164375 0.0188743 -1.1539995 0.0047852 -0.0191569 -0.0171022 -1.2476383 31 O -1.8193676 -0.2226031 -0.4571714 -0.0857570 -1.4750671 0.0993726 -0.1667805 -0.0645782 -2.6187941 32 O -1.8193676 0.2226031 0.4571714 0.0857570 -1.4750671 0.0993726 0.1667805 -0.0645782 -2.6187941 33 O -1.8487560 0.4727641 0.1164375 -0.0188743 -1.1539995 0.0047852 0.0191569 -0.0171022 -1.2476383 34 O -2.1371523 0.0096381 -0.7875730 -0.0095250 -1.2908624 -0.0015810 0.0960982 -0.0083290 -0.6138023 35 O -1.8462480 -0.2374076 0.4705351 -0.2269957 -1.4910420 -0.1828890 0.1576407 0.1738530 -2.6234705 36 O -1.8168905 0.4800464 0.1520651 -0.0294808 -1.1289833 0.0052734 -0.0189849 0.0281856 -1.1769703 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 58, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:51:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:40]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.497844480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): 1 Ca 0.95415165591472 0.82600573335546 0.87117201423015 40.078 2 Ca 0.79476094413073 0.83080128407963 0.53717532024447 40.078 3 Ca 0.70523905586927 0.33080128407963 0.03717532024447 40.078 4 Ca 0.54584834408528 0.32600573335546 0.37117201423015 40.078 5 Ca 0.45415165591472 0.67399426664454 0.87117201423015 40.078 6 Ca 0.29476094413073 0.66919871592037 0.53717532024447 40.078 7 Ca 0.20523905586927 0.16919871592037 0.03717532024447 40.078 8 Ca 0.04584834408528 0.17399426664454 0.37117201423015 40.078 9 Cu 0.98866228340820 0.64077494114151 0.15396317322120 63.546 10 Cu 0.76232706224366 0.86438625647154 0.25056767189218 63.546 11 Cu 0.73767293775634 0.36438625647154 0.75056767189218 63.546 12 Cu 0.51133771659180 0.14077494114151 0.65396317322120 63.546 13 Cu 0.48866228340820 0.85922505885849 0.15396317322120 63.546 14 Cu 0.26232706224366 0.63561374352846 0.25056767189218 63.546 15 Cu 0.23767293775634 0.13561374352846 0.75056767189218 63.546 16 Cu 0.01133771659180 0.35922505885849 0.65396317322120 63.546 17 O 0.91844464947451 0.66206849339625 0.28936893181918 15.999 18 O 0.94008929136001 0.33053007672659 0.52209749384743 15.999 19 O 0.87556167177258 0.64269454367603 0.70318797814036 15.999 20 O 0.83319576217367 0.84739675944151 0.11473079937205 15.999 21 O 0.80910199159752 0.32847722386025 0.88173759723305 15.999 22 O 0.69089800840248 0.82847722386025 0.38173759723305 15.999 23 O 0.66680423782633 0.34739675944151 0.61473079937205 15.999 24 O 0.62443832822742 0.14269454367603 0.20318797814036 15.999 25 O 0.55991070863999 0.83053007672659 0.02209749384743 15.999 26 O 0.58155535052549 0.16206849339625 0.78936893181918 15.999 27 O 0.41844464947451 0.83793150660375 0.28936893181918 15.999 28 O 0.44008929136001 0.16946992327341 0.52209749384743 15.999 29 O 0.37556167177258 0.85730545632397 0.70318797814036 15.999 30 O 0.33319576217367 0.65260324055849 0.11473079937205 15.999 31 O 0.30910199159752 0.17152277613975 0.88173759723305 15.999 32 O 0.19089800840248 0.67152277613975 0.38173759723305 15.999 33 O 0.16680423782633 0.15260324055849 0.61473079937205 15.999 34 O 0.12443832822742 0.35730545632397 0.20318797814036 15.999 35 O 0.05991070863999 0.66946992327341 0.02209749384743 15.999 36 O 0.08155535052549 0.33793150660375 0.78936893181918 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.348597720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493533440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.577330450000003 Atomic positions (fractional): 1 Ca 0.95415165591472 0.27533524445182 0.87117201423015 40.078 > 1 2 Ca 0.95415165591472 0.60866857778515 0.87117201423015 40.078 > 1 3 Ca 0.95415165591472 0.94200191111849 0.87117201423015 40.078 > 1 4 Ca 0.79476094413073 0.27693376135988 0.53717532024447 40.078 > 4 5 Ca 0.79476094413073 0.61026709469321 0.53717532024447 40.078 > 4 6 Ca 0.79476094413073 0.94360042802654 0.53717532024447 40.078 > 4 7 Ca 0.70523905586927 0.11026709469321 0.03717532024447 40.078 > 7 8 Ca 0.70523905586927 0.44360042802654 0.03717532024447 40.078 > 7 9 Ca 0.70523905586927 0.77693376135988 0.03717532024447 40.078 > 7 10 Ca 0.54584834408528 0.10866857778515 0.37117201423015 40.078 > 10 11 Ca 0.54584834408528 0.44200191111849 0.37117201423015 40.078 > 10 12 Ca 0.54584834408528 0.77533524445182 0.37117201423015 40.078 > 10 13 Ca 0.45415165591472 0.22466475554818 0.87117201423015 40.078 > 13 14 Ca 0.45415165591472 0.55799808888151 0.87117201423015 40.078 > 13 15 Ca 0.45415165591472 0.89133142221485 0.87117201423015 40.078 > 13 16 Ca 0.29476094413073 0.22306623864012 0.53717532024447 40.078 > 16 17 Ca 0.29476094413073 0.55639957197346 0.53717532024447 40.078 > 16 18 Ca 0.29476094413073 0.88973290530679 0.53717532024447 40.078 > 16 19 Ca 0.20523905586927 0.05639957197346 0.03717532024447 40.078 > 19 20 Ca 0.20523905586927 0.38973290530679 0.03717532024447 40.078 > 19 21 Ca 0.20523905586927 0.72306623864012 0.03717532024447 40.078 > 19 22 Ca 0.04584834408528 0.05799808888151 0.37117201423015 40.078 > 22 23 Ca 0.04584834408528 0.39133142221485 0.37117201423015 40.078 > 22 24 Ca 0.04584834408528 0.72466475554818 0.37117201423015 40.078 > 22 25 Cu 0.98866228340820 0.21359164704717 0.15396317322120 63.546 > 25 26 Cu 0.98866228340820 0.54692498038050 0.15396317322120 63.546 > 25 27 Cu 0.98866228340820 0.88025831371384 0.15396317322120 63.546 > 25 28 Cu 0.76232706224366 0.28812875215718 0.25056767189218 63.546 > 28 29 Cu 0.76232706224366 0.62146208549051 0.25056767189218 63.546 > 28 30 Cu 0.76232706224366 0.95479541882385 0.25056767189218 63.546 > 28 31 Cu 0.73767293775634 0.12146208549051 0.75056767189218 63.546 > 31 32 Cu 0.73767293775634 0.45479541882385 0.75056767189218 63.546 > 31 33 Cu 0.73767293775634 0.78812875215718 0.75056767189218 63.546 > 31 34 Cu 0.51133771659180 0.04692498038050 0.65396317322120 63.546 > 34 35 Cu 0.51133771659180 0.38025831371384 0.65396317322120 63.546 > 34 36 Cu 0.51133771659180 0.71359164704717 0.65396317322120 63.546 > 34 37 Cu 0.48866228340820 0.28640835295283 0.15396317322120 63.546 > 37 38 Cu 0.48866228340820 0.61974168628616 0.15396317322120 63.546 > 37 39 Cu 0.48866228340820 0.95307501961950 0.15396317322120 63.546 > 37 40 Cu 0.26232706224366 0.21187124784282 0.25056767189218 63.546 > 40 41 Cu 0.26232706224366 0.54520458117615 0.25056767189218 63.546 > 40 42 Cu 0.26232706224366 0.87853791450949 0.25056767189218 63.546 > 40 43 Cu 0.23767293775634 0.04520458117615 0.75056767189218 63.546 > 43 44 Cu 0.23767293775634 0.37853791450949 0.75056767189218 63.546 > 43 45 Cu 0.23767293775634 0.71187124784282 0.75056767189218 63.546 > 43 46 Cu 0.01133771659180 0.11974168628616 0.65396317322120 63.546 > 46 47 Cu 0.01133771659180 0.45307501961950 0.65396317322120 63.546 > 46 48 Cu 0.01133771659180 0.78640835295283 0.65396317322120 63.546 > 46 49 O 0.91844464947451 0.22068949779875 0.28936893181918 15.999 > 49 50 O 0.91844464947451 0.55402283113208 0.28936893181918 15.999 > 49 51 O 0.91844464947451 0.88735616446542 0.28936893181918 15.999 > 49 52 O 0.94008929136001 0.11017669224220 0.52209749384743 15.999 > 52 53 O 0.94008929136001 0.44351002557553 0.52209749384743 15.999 > 52 54 O 0.94008929136001 0.77684335890886 0.52209749384743 15.999 > 52 55 O 0.87556167177258 0.21423151455868 0.70318797814036 15.999 > 55 56 O 0.87556167177258 0.54756484789201 0.70318797814036 15.999 > 55 57 O 0.87556167177258 0.88089818122534 0.70318797814036 15.999 > 55 58 O 0.83319576217367 0.28246558648050 0.11473079937205 15.999 > 58 59 O 0.83319576217367 0.61579891981384 0.11473079937205 15.999 > 58 60 O 0.83319576217367 0.94913225314717 0.11473079937205 15.999 > 58 61 O 0.80910199159752 0.10949240795342 0.88173759723305 15.999 > 61 62 O 0.80910199159752 0.44282574128675 0.88173759723305 15.999 > 61 63 O 0.80910199159752 0.77615907462008 0.88173759723305 15.999 > 61 64 O 0.69089800840248 0.27615907462008 0.38173759723305 15.999 > 64 65 O 0.69089800840248 0.60949240795342 0.38173759723305 15.999 > 64 66 O 0.69089800840248 0.94282574128675 0.38173759723305 15.999 > 64 67 O 0.66680423782633 0.11579891981384 0.61473079937205 15.999 > 67 68 O 0.66680423782633 0.44913225314717 0.61473079937205 15.999 > 67 69 O 0.66680423782633 0.78246558648050 0.61473079937205 15.999 > 67 70 O 0.62443832822742 0.04756484789201 0.20318797814036 15.999 > 70 71 O 0.62443832822742 0.38089818122534 0.20318797814036 15.999 > 70 72 O 0.62443832822742 0.71423151455868 0.20318797814036 15.999 > 70 73 O 0.55991070863999 0.27684335890886 0.02209749384743 15.999 > 73 74 O 0.55991070863999 0.61017669224220 0.02209749384743 15.999 > 73 75 O 0.55991070863999 0.94351002557553 0.02209749384743 15.999 > 73 76 O 0.58155535052549 0.05402283113208 0.78936893181918 15.999 > 76 77 O 0.58155535052549 0.38735616446542 0.78936893181918 15.999 > 76 78 O 0.58155535052549 0.72068949779875 0.78936893181918 15.999 > 76 79 O 0.41844464947451 0.27931050220125 0.28936893181918 15.999 > 79 80 O 0.41844464947451 0.61264383553458 0.28936893181918 15.999 > 79 81 O 0.41844464947451 0.94597716886792 0.28936893181918 15.999 > 79 82 O 0.44008929136001 0.05648997442447 0.52209749384743 15.999 > 82 83 O 0.44008929136001 0.38982330775780 0.52209749384743 15.999 > 82 84 O 0.44008929136001 0.72315664109114 0.52209749384743 15.999 > 82 85 O 0.37556167177258 0.28576848544132 0.70318797814036 15.999 > 85 86 O 0.37556167177258 0.61910181877466 0.70318797814036 15.999 > 85 87 O 0.37556167177258 0.95243515210799 0.70318797814036 15.999 > 85 88 O 0.33319576217367 0.21753441351950 0.11473079937205 15.999 > 88 89 O 0.33319576217367 0.55086774685283 0.11473079937205 15.999 > 88 90 O 0.33319576217367 0.88420108018616 0.11473079937205 15.999 > 88 91 O 0.30910199159752 0.05717425871325 0.88173759723305 15.999 > 91 92 O 0.30910199159752 0.39050759204658 0.88173759723305 15.999 > 91 93 O 0.30910199159752 0.72384092537992 0.88173759723305 15.999 > 91 94 O 0.19089800840248 0.22384092537992 0.38173759723305 15.999 > 94 95 O 0.19089800840248 0.55717425871325 0.38173759723305 15.999 > 94 96 O 0.19089800840248 0.89050759204658 0.38173759723305 15.999 > 94 97 O 0.16680423782633 0.05086774685283 0.61473079937205 15.999 > 97 98 O 0.16680423782633 0.38420108018616 0.61473079937205 15.999 > 97 99 O 0.16680423782633 0.71753441351950 0.61473079937205 15.999 > 97 100 O 0.12443832822742 0.11910181877466 0.20318797814036 15.999 > 100 101 O 0.12443832822742 0.45243515210799 0.20318797814036 15.999 > 100 102 O 0.12443832822742 0.78576848544132 0.20318797814036 15.999 > 100 103 O 0.05991070863999 0.22315664109114 0.02209749384743 15.999 > 103 104 O 0.05991070863999 0.55648997442447 0.02209749384743 15.999 > 103 105 O 0.05991070863999 0.88982330775780 0.02209749384743 15.999 > 103 106 O 0.08155535052549 0.11264383553458 0.78936893181918 15.999 > 106 107 O 0.08155535052549 0.44597716886792 0.78936893181918 15.999 > 106 108 O 0.08155535052549 0.77931050220125 0.78936893181918 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1673602 0.0000000 0.0000000 0.0000000 4.2407275 0.0000000 0.0000000 0.0000000 6.1355385 -------------------------- Born effective charges -------------------------- 1 Ca 2.4686240 -0.0848041 -0.3138546 0.2620034 2.5161772 0.3643032 0.4876979 -0.0106697 2.9336697 2 Ca 2.4778438 0.0809436 -0.2765090 -0.0968991 2.5101720 -0.3295804 0.4682045 -0.0808215 2.8983675 3 Ca 2.4778438 -0.0809436 0.2765090 0.0968991 2.5101720 -0.3295804 -0.4682045 -0.0808215 2.8983675 4 Ca 2.4686240 0.0848041 0.3138546 -0.2620034 2.5161772 0.3643032 -0.4876979 -0.0106697 2.9336697 5 Ca 2.4686240 0.0848041 -0.3138546 -0.2620034 2.5161772 -0.3643032 0.4876979 0.0106697 2.9336697 6 Ca 2.4778438 -0.0809436 -0.2765090 0.0968991 2.5101720 0.3295804 0.4682045 0.0808215 2.8983675 7 Ca 2.4778438 0.0809436 0.2765090 -0.0968991 2.5101720 0.3295804 -0.4682045 0.0808215 2.8983675 8 Ca 2.4686240 -0.0848041 0.3138546 0.2620034 2.5161772 -0.3643032 -0.4876979 0.0106697 2.9336697 9 Cu 2.2310779 -0.8564442 -0.4851390 -0.2370118 0.7647949 0.0062291 -0.5998971 -0.0102101 1.2330937 10 Cu 2.2908687 -0.8457902 -0.4847347 -0.2063769 0.7488103 -0.0060368 -0.6141429 0.0229806 1.2155445 11 Cu 2.2908687 0.8457902 0.4847347 0.2063769 0.7488103 -0.0060368 0.6141429 0.0229806 1.2155445 12 Cu 2.2310779 0.8564442 0.4851390 0.2370118 0.7647949 0.0062291 0.5998971 -0.0102101 1.2330937 13 Cu 2.2310779 0.8564442 -0.4851390 0.2370118 0.7647949 -0.0062291 -0.5998971 0.0102101 1.2330937 14 Cu 2.2908687 0.8457902 -0.4847347 0.2063769 0.7488103 0.0060368 -0.6141429 -0.0229806 1.2155445 15 Cu 2.2908687 -0.8457902 0.4847347 -0.2063769 0.7488103 0.0060368 0.6141429 -0.0229806 1.2155445 16 Cu 2.2310779 -0.8564442 0.4851390 -0.2370118 0.7647949 -0.0062291 0.5998971 0.0102101 1.2330937 17 O -1.8168905 0.4800464 -0.1520651 -0.0294808 -1.1289833 -0.0052734 0.0189849 -0.0281856 -1.1769703 18 O -1.8462480 -0.2374076 -0.4705351 -0.2269957 -1.4910420 0.1828890 -0.1576407 -0.1738530 -2.6234705 19 O -2.1371523 0.0096381 0.7875730 -0.0095250 -1.2908624 0.0015810 -0.0960982 0.0083290 -0.6138023 20 O -1.8487560 0.4727641 -0.1164375 -0.0188743 -1.1539995 -0.0047852 -0.0191569 0.0171022 -1.2476383 21 O -1.8193676 0.2226031 -0.4571714 0.0857570 -1.4750671 -0.0993726 -0.1667805 0.0645782 -2.6187941 22 O -1.8193676 -0.2226031 0.4571714 -0.0857570 -1.4750671 -0.0993726 0.1667805 0.0645782 -2.6187941 23 O -1.8487560 -0.4727641 0.1164375 0.0188743 -1.1539995 -0.0047852 0.0191569 0.0171022 -1.2476383 24 O -2.1371523 -0.0096381 -0.7875730 0.0095250 -1.2908624 0.0015810 0.0960982 0.0083290 -0.6138023 25 O -1.8462480 0.2374076 0.4705351 0.2269957 -1.4910420 0.1828890 0.1576407 -0.1738530 -2.6234705 26 O -1.8168905 -0.4800464 0.1520651 0.0294808 -1.1289833 -0.0052734 -0.0189849 -0.0281856 -1.1769703 27 O -1.8168905 -0.4800464 -0.1520651 0.0294808 -1.1289833 0.0052734 0.0189849 0.0281856 -1.1769703 28 O -1.8462480 0.2374076 -0.4705351 0.2269957 -1.4910420 -0.1828890 -0.1576407 0.1738530 -2.6234705 29 O -2.1371523 -0.0096381 0.7875730 0.0095250 -1.2908624 -0.0015810 -0.0960982 -0.0083290 -0.6138023 30 O -1.8487560 -0.4727641 -0.1164375 0.0188743 -1.1539995 0.0047852 -0.0191569 -0.0171022 -1.2476383 31 O -1.8193676 -0.2226031 -0.4571714 -0.0857570 -1.4750671 0.0993726 -0.1667805 -0.0645782 -2.6187941 32 O -1.8193676 0.2226031 0.4571714 0.0857570 -1.4750671 0.0993726 0.1667805 -0.0645782 -2.6187941 33 O -1.8487560 0.4727641 0.1164375 -0.0188743 -1.1539995 0.0047852 0.0191569 -0.0171022 -1.2476383 34 O -2.1371523 0.0096381 -0.7875730 -0.0095250 -1.2908624 -0.0015810 0.0960982 -0.0083290 -0.6138023 35 O -1.8462480 -0.2374076 0.4705351 -0.2269957 -1.4910420 -0.1828890 0.1576407 0.1738530 -2.6234705 36 O -1.8168905 0.4800464 0.1520651 -0.0294808 -1.1289833 0.0052734 -0.0189849 0.0281856 -1.1769703 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] 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: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 1.283 ( 0.000 0.000 -0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 -0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 -0.000) 0.000 3.948 ( 0.000 0.000 -0.000) 0.000 4.254 ( 0.000 0.000 -0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 -0.000) 0.000 5.309 ( 0.000 0.000 -0.000) 0.000 5.372 ( 0.000 0.000 -0.000) 0.000 5.514 ( 0.000 0.000 -0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 -0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 -0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 -0.000) 0.000 6.239 ( 0.000 0.000 -0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 -0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 -0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 -0.000) 0.000 7.578 ( 0.000 0.000 -0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 -0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 -0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 -0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.256 ( 0.000 0.000 -0.000) 0.000 12.373 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 -0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 -0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 -0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 -0.000) 0.000 15.864 ( 0.000 0.000 0.000) 0.000 15.930 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.031 ( 0.000 0.000 -0.000) 0.000 16.058 ( 0.000 0.000 -0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 -0.000) 0.000 17.846 ( 0.000 0.000 0.000) 0.000 17.902 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.362 ( 0.000 0.000 -0.000) 0.000 18.372 ( 0.000 0.000 -0.000) 0.000 18.621 ( 0.000 0.000 -0.000) 0.000 18.745 ( 0.000 0.000 -0.000) 0.000 18.822 ( 0.000 0.000 -0.000) 0.000 18.927 ( 0.000 0.000 0.000) 0.000 18.972 ( 0.000 0.000 -0.000) 0.000 19.182 ( 0.000 0.000 0.000) 0.000 19.359 ( 0.000 0.000 0.000) 0.000 19.562 ( 0.000 0.000 0.000) 0.000 19.578 ( 0.000 0.000 0.000) 0.000 19.753 ( 0.000 0.000 0.000) 0.000 20.078 ( 0.000 0.000 0.000) 0.000 20.134 ( 0.000 0.000 0.000) 0.000 20.163 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 26.428 0.000 0.000) 26.428 0.800 ( 40.397 0.000 0.000) 40.397 0.840 ( 38.907 0.000 0.000) 38.907 1.357 ( 7.425 0.000 0.000) 7.425 2.323 ( -18.203 0.000 0.000) 18.203 2.440 ( -8.091 0.000 0.000) 8.091 2.585 ( -10.022 0.000 0.000) 10.022 2.669 ( -5.477 0.000 0.000) 5.477 2.673 ( -16.032 0.000 0.000) 16.032 2.822 ( -2.413 0.000 0.000) 2.413 3.116 ( -10.569 0.000 0.000) 10.569 3.313 ( -7.027 0.000 0.000) 7.027 3.388 ( 0.937 0.000 0.000) 0.937 3.685 ( 6.943 0.000 0.000) 6.943 3.754 ( 4.148 0.000 0.000) 4.148 4.013 ( -17.381 0.000 0.000) 17.381 4.024 ( 18.583 0.000 0.000) 18.583 4.063 ( 17.373 0.000 0.000) 17.373 4.207 ( 7.099 0.000 0.000) 7.099 4.467 ( -23.724 0.000 0.000) 23.724 4.647 ( 29.590 0.000 0.000) 29.590 4.978 ( 9.599 0.000 0.000) 9.599 5.131 ( -9.018 0.000 0.000) 9.018 5.146 ( -6.476 0.000 0.000) 6.476 5.279 ( -3.701 0.000 0.000) 3.701 5.466 ( 9.491 0.000 0.000) 9.491 5.514 ( 3.852 0.000 0.000) 3.852 5.588 ( 6.299 0.000 0.000) 6.299 5.699 ( -0.347 0.000 0.000) 0.347 6.090 ( 18.393 0.000 0.000) 18.393 6.122 ( -8.185 0.000 0.000) 8.185 6.213 ( 4.636 0.000 0.000) 4.636 6.274 ( 6.303 0.000 0.000) 6.303 6.287 ( -7.576 0.000 0.000) 7.576 6.477 ( -4.753 0.000 0.000) 4.753 6.848 ( -2.296 0.000 0.000) 2.296 6.894 ( -19.912 0.000 0.000) 19.912 6.996 ( -3.570 0.000 0.000) 3.570 7.197 ( -4.585 0.000 0.000) 4.585 7.265 ( -7.122 0.000 0.000) 7.122 7.284 ( -4.779 0.000 0.000) 4.779 7.371 ( -15.894 0.000 0.000) 15.894 7.545 ( 7.461 0.000 0.000) 7.461 7.758 ( -8.849 0.000 0.000) 8.849 7.801 ( 9.551 0.000 0.000) 9.551 7.968 ( -3.088 0.000 0.000) 3.088 7.997 ( 11.102 0.000 0.000) 11.102 8.225 ( -6.718 0.000 0.000) 6.718 8.404 ( -11.187 0.000 0.000) 11.187 8.413 ( 8.875 0.000 0.000) 8.875 8.491 ( 6.941 0.000 0.000) 6.941 8.781 ( 4.414 0.000 0.000) 4.414 8.941 ( 3.354 0.000 0.000) 3.354 9.012 ( 3.406 0.000 0.000) 3.406 9.325 ( -2.156 0.000 0.000) 2.156 9.360 ( -1.071 0.000 0.000) 1.071 9.436 ( 1.985 0.000 0.000) 1.985 9.479 ( 0.116 0.000 0.000) 0.116 9.570 ( -3.061 0.000 0.000) 3.061 9.584 ( -1.017 0.000 0.000) 1.017 9.731 ( 2.697 0.000 0.000) 2.697 9.779 ( 3.446 0.000 0.000) 3.446 9.916 ( -1.927 0.000 0.000) 1.927 9.990 ( -1.905 0.000 0.000) 1.905 11.286 ( -0.541 0.000 0.000) 0.541 11.353 ( -1.783 0.000 0.000) 1.783 11.447 ( 3.247 0.000 0.000) 3.247 11.622 ( -1.769 0.000 0.000) 1.769 11.944 ( 6.397 0.000 0.000) 6.397 12.170 ( -2.096 0.000 0.000) 2.096 12.356 ( 6.265 0.000 0.000) 6.265 12.404 ( 2.833 0.000 0.000) 2.833 13.468 ( -0.427 0.000 0.000) 0.427 13.474 ( -0.568 0.000 0.000) 0.568 13.821 ( -10.815 0.000 0.000) 10.815 14.018 ( -14.851 0.000 0.000) 14.851 14.204 ( 5.202 0.000 0.000) 5.202 14.214 ( 7.160 0.000 0.000) 7.160 14.262 ( 5.676 0.000 0.000) 5.676 14.455 ( 1.942 0.000 0.000) 1.942 15.206 ( 2.070 0.000 0.000) 2.070 15.255 ( 3.838 0.000 0.000) 3.838 15.424 ( -2.450 0.000 0.000) 2.450 15.812 ( -7.930 0.000 0.000) 7.930 15.937 ( 0.584 0.000 0.000) 0.584 15.937 ( -1.992 0.000 0.000) 1.992 16.048 ( 1.650 0.000 0.000) 1.650 16.101 ( 1.404 0.000 0.000) 1.404 17.750 ( -4.163 0.000 0.000) 4.163 17.799 ( -6.276 0.000 0.000) 6.276 17.862 ( 1.803 0.000 0.000) 1.803 17.941 ( 1.706 0.000 0.000) 1.706 18.205 ( 1.838 0.000 0.000) 1.838 18.352 ( -1.020 0.000 0.000) 1.020 18.453 ( 8.725 0.000 0.000) 8.725 18.659 ( 3.791 0.000 0.000) 3.791 18.850 ( 9.084 0.000 0.000) 9.084 18.879 ( -2.374 0.000 0.000) 2.374 18.968 ( -2.206 0.000 0.000) 2.206 19.111 ( -6.799 0.000 0.000) 6.799 19.221 ( -10.510 0.000 0.000) 10.510 19.445 ( -7.326 0.000 0.000) 7.326 19.699 ( 7.371 0.000 0.000) 7.371 19.796 ( 6.644 0.000 0.000) 6.644 19.972 ( 2.960 0.000 0.000) 2.960 20.068 ( -0.922 0.000 0.000) 0.922 20.129 ( -0.514 0.000 0.000) 0.514 20.264 ( -5.091 0.000 0.000) 5.091 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 22.928 0.000 0.000) 22.928 1.280 ( 0.959 0.000 0.000) 0.959 1.542 ( 35.638 0.000 0.000) 35.638 1.558 ( 13.222 0.000 0.000) 13.222 1.885 ( -20.449 0.000 0.000) 20.449 2.183 ( -29.591 0.000 0.000) 29.591 2.452 ( 5.575 0.000 0.000) 5.575 2.465 ( -1.608 0.000 0.000) 1.608 2.791 ( 13.686 0.000 0.000) 13.686 2.886 ( 2.088 0.000 0.000) 2.088 2.915 ( 5.973 0.000 0.000) 5.973 3.184 ( -19.811 0.000 0.000) 19.811 3.223 ( -5.030 0.000 0.000) 5.030 3.538 ( -38.855 0.000 0.000) 38.855 3.626 ( -0.005 0.000 0.000) 0.005 3.699 ( -5.153 0.000 0.000) 5.153 4.259 ( 24.586 0.000 0.000) 24.586 4.462 ( 20.042 0.000 0.000) 20.042 4.502 ( 23.496 0.000 0.000) 23.496 4.768 ( 21.437 0.000 0.000) 21.437 4.816 ( -18.456 0.000 0.000) 18.456 4.905 ( -14.615 0.000 0.000) 14.615 4.926 ( -15.249 0.000 0.000) 15.249 5.124 ( -13.181 0.000 0.000) 13.181 5.245 ( 28.207 0.000 0.000) 28.207 5.576 ( -1.603 0.000 0.000) 1.603 5.664 ( 5.393 0.000 0.000) 5.393 5.696 ( -0.308 0.000 0.000) 0.308 5.749 ( 9.121 0.000 0.000) 9.121 5.936 ( -10.460 0.000 0.000) 10.460 6.111 ( 0.205 0.000 0.000) 0.205 6.283 ( -4.242 0.000 0.000) 4.242 6.325 ( 0.618 0.000 0.000) 0.618 6.420 ( 10.562 0.000 0.000) 10.562 6.497 ( 4.959 0.000 0.000) 4.959 6.630 ( -3.386 0.000 0.000) 3.386 6.686 ( -10.729 0.000 0.000) 10.729 6.791 ( -14.976 0.000 0.000) 14.976 7.092 ( -5.923 0.000 0.000) 5.923 7.127 ( -4.191 0.000 0.000) 4.191 7.205 ( -0.540 0.000 0.000) 0.540 7.211 ( -1.610 0.000 0.000) 1.610 7.671 ( 5.412 0.000 0.000) 5.412 7.741 ( 0.702 0.000 0.000) 0.702 7.891 ( 1.444 0.000 0.000) 1.444 7.901 ( -1.562 0.000 0.000) 1.562 8.109 ( -2.566 0.000 0.000) 2.566 8.182 ( -5.898 0.000 0.000) 5.898 8.267 ( 9.748 0.000 0.000) 9.748 8.448 ( -5.299 0.000 0.000) 5.299 8.652 ( 8.747 0.000 0.000) 8.747 8.782 ( -3.936 0.000 0.000) 3.936 9.023 ( 3.783 0.000 0.000) 3.783 9.056 ( 0.523 0.000 0.000) 0.523 9.297 ( -0.091 0.000 0.000) 0.091 9.323 ( -2.260 0.000 0.000) 2.260 9.488 ( 0.899 0.000 0.000) 0.899 9.489 ( 3.062 0.000 0.000) 3.062 9.519 ( -1.929 0.000 0.000) 1.929 9.550 ( -2.549 0.000 0.000) 2.549 9.795 ( 3.719 0.000 0.000) 3.719 9.858 ( 4.344 0.000 0.000) 4.344 9.864 ( -3.288 0.000 0.000) 3.288 9.936 ( -3.589 0.000 0.000) 3.589 11.290 ( 1.003 0.000 0.000) 1.003 11.319 ( -1.747 0.000 0.000) 1.747 11.513 ( 3.447 0.000 0.000) 3.447 11.575 ( -2.934 0.000 0.000) 2.934 12.066 ( 5.312 0.000 0.000) 5.312 12.136 ( -2.133 0.000 0.000) 2.133 12.452 ( 2.875 0.000 0.000) 2.875 12.458 ( 1.927 0.000 0.000) 1.927 13.498 ( 3.956 0.000 0.000) 3.956 13.519 ( 6.326 0.000 0.000) 6.326 13.625 ( -8.902 0.000 0.000) 8.902 13.724 ( -14.110 0.000 0.000) 14.110 14.321 ( 3.537 0.000 0.000) 3.537 14.328 ( 6.109 0.000 0.000) 6.109 14.342 ( 2.270 0.000 0.000) 2.270 14.435 ( -3.670 0.000 0.000) 3.670 15.268 ( 4.206 0.000 0.000) 4.206 15.356 ( -4.386 0.000 0.000) 4.386 15.379 ( 9.126 0.000 0.000) 9.126 15.595 ( -12.404 0.000 0.000) 12.404 15.939 ( 0.708 0.000 0.000) 0.708 15.946 ( 0.103 0.000 0.000) 0.103 16.085 ( 1.857 0.000 0.000) 1.857 16.109 ( -0.496 0.000 0.000) 0.496 17.690 ( -1.504 0.000 0.000) 1.504 17.703 ( -2.972 0.000 0.000) 2.972 17.896 ( 2.033 0.000 0.000) 2.033 17.938 ( -1.756 0.000 0.000) 1.756 18.259 ( 3.534 0.000 0.000) 3.534 18.320 ( -2.423 0.000 0.000) 2.423 18.651 ( 10.187 0.000 0.000) 10.187 18.748 ( 3.492 0.000 0.000) 3.492 18.874 ( -0.857 0.000 0.000) 0.857 18.898 ( 0.026 0.000 0.000) 0.026 18.953 ( -8.346 0.000 0.000) 8.346 18.992 ( -3.227 0.000 0.000) 3.227 19.088 ( 5.730 0.000 0.000) 5.730 19.277 ( -9.908 0.000 0.000) 9.908 19.843 ( 6.541 0.000 0.000) 6.541 19.890 ( 2.191 0.000 0.000) 2.191 20.027 ( 2.032 0.000 0.000) 2.032 20.047 ( -1.003 0.000 0.000) 1.003 20.115 ( -0.602 0.000 0.000) 0.602 20.151 ( -5.179 0.000 0.000) 5.179 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 23.732 0.000) 23.732 0.474 ( 0.000 24.622 0.000) 24.622 0.882 ( 0.000 42.911 0.000) 42.911 1.617 ( 0.000 27.481 0.000) 27.481 2.413 ( 0.000 3.437 0.000) 3.437 2.773 ( 0.000 10.541 0.000) 10.541 2.806 ( 0.000 5.271 0.000) 5.271 2.925 ( 0.000 4.933 0.000) 4.933 3.031 ( 0.000 15.141 0.000) 15.141 3.078 ( 0.000 13.025 0.000) 13.025 3.217 ( 0.000 16.014 0.000) 16.014 3.366 ( 0.000 7.812 0.000) 7.812 3.533 ( 0.000 2.868 0.000) 2.868 3.703 ( 0.000 -1.053 0.000) 1.053 3.714 ( 0.000 3.533 0.000) 3.533 3.831 ( 0.000 4.067 0.000) 4.067 3.918 ( 0.000 11.461 0.000) 11.461 4.096 ( 0.000 16.191 0.000) 16.191 4.335 ( 0.000 6.338 0.000) 6.338 4.559 ( 0.000 1.239 0.000) 1.239 4.616 ( 0.000 5.044 0.000) 5.044 5.069 ( 0.000 1.813 0.000) 1.813 5.115 ( 0.000 -0.674 0.000) 0.674 5.197 ( 0.000 0.495 0.000) 0.495 5.275 ( 0.000 0.425 0.000) 0.425 5.498 ( 0.000 -2.465 0.000) 2.465 5.613 ( 0.000 8.616 0.000) 8.616 5.648 ( 0.000 10.875 0.000) 10.875 5.855 ( 0.000 10.839 0.000) 10.839 5.886 ( 0.000 -0.360 0.000) 0.360 5.989 ( 0.000 -2.205 0.000) 2.205 6.090 ( 0.000 -5.513 0.000) 5.513 6.239 ( 0.000 0.545 0.000) 0.545 6.316 ( 0.000 2.066 0.000) 2.066 6.449 ( 0.000 5.197 0.000) 5.197 6.816 ( 0.000 -0.301 0.000) 0.301 7.049 ( 0.000 4.795 0.000) 4.795 7.159 ( 0.000 -2.759 0.000) 2.759 7.235 ( 0.000 -10.878 0.000) 10.878 7.243 ( 0.000 -2.291 0.000) 2.291 7.314 ( 0.000 2.049 0.000) 2.049 7.516 ( 0.000 4.505 0.000) 4.505 7.695 ( 0.000 0.376 0.000) 0.376 7.712 ( 0.000 7.668 0.000) 7.668 7.898 ( 0.000 4.298 0.000) 4.298 7.930 ( 0.000 0.493 0.000) 0.493 8.004 ( 0.000 -0.016 0.000) 0.016 8.224 ( 0.000 -0.982 0.000) 0.982 8.396 ( 0.000 5.948 0.000) 5.948 8.435 ( 0.000 4.414 0.000) 4.414 8.554 ( 0.000 -2.483 0.000) 2.483 8.640 ( 0.000 -3.069 0.000) 3.069 8.928 ( 0.000 0.286 0.000) 0.286 8.969 ( 0.000 -0.178 0.000) 0.178 9.309 ( 0.000 -4.144 0.000) 4.144 9.333 ( 0.000 0.615 0.000) 0.615 9.481 ( 0.000 6.055 0.000) 6.055 9.545 ( 0.000 5.410 0.000) 5.410 9.581 ( 0.000 3.778 0.000) 3.778 9.660 ( 0.000 6.462 0.000) 6.462 9.783 ( 0.000 7.784 0.000) 7.784 9.814 ( 0.000 7.000 0.000) 7.000 10.114 ( 0.000 9.477 0.000) 9.477 10.848 ( 0.000 0.512 0.000) 0.512 11.375 ( 0.000 -1.375 0.000) 1.375 11.383 ( 0.000 -0.992 0.000) 0.992 11.627 ( 0.000 -1.218 0.000) 1.218 11.869 ( 0.000 -0.194 0.000) 0.194 12.061 ( 0.000 -1.064 0.000) 1.064 12.200 ( 0.000 -2.047 0.000) 2.047 12.317 ( 0.000 -0.456 0.000) 0.456 12.364 ( 0.000 -1.014 0.000) 1.014 13.512 ( 0.000 2.338 0.000) 2.338 13.899 ( 0.000 0.463 0.000) 0.463 13.995 ( 0.000 0.579 0.000) 0.579 14.140 ( 0.000 -0.162 0.000) 0.162 14.178 ( 0.000 0.249 0.000) 0.249 14.181 ( 0.000 0.870 0.000) 0.870 14.208 ( 0.000 -0.149 0.000) 0.149 14.395 ( 0.000 0.122 0.000) 0.122 15.193 ( 0.000 0.603 0.000) 0.603 15.228 ( 0.000 0.357 0.000) 0.357 15.444 ( 0.000 0.330 0.000) 0.330 15.867 ( 0.000 0.268 0.000) 0.268 15.927 ( 0.000 -2.022 0.000) 2.022 16.013 ( 0.000 -1.636 0.000) 1.636 16.022 ( 0.000 0.462 0.000) 0.462 16.054 ( 0.000 -0.368 0.000) 0.368 17.804 ( 0.000 -0.812 0.000) 0.812 17.830 ( 0.000 -0.625 0.000) 0.625 17.830 ( 0.000 -1.479 0.000) 1.479 17.891 ( 0.000 -1.072 0.000) 1.072 18.174 ( 0.000 0.023 0.000) 0.023 18.358 ( 0.000 -0.291 0.000) 0.291 18.377 ( 0.000 0.502 0.000) 0.502 18.633 ( 0.000 0.416 0.000) 0.416 18.745 ( 0.000 0.003 0.000) 0.003 18.826 ( 0.000 0.382 0.000) 0.382 18.909 ( 0.000 -1.857 0.000) 1.857 18.959 ( 0.000 -1.238 0.000) 1.238 19.159 ( 0.000 -2.237 0.000) 2.237 19.362 ( 0.000 0.250 0.000) 0.250 19.514 ( 0.000 -6.043 0.000) 6.043 19.722 ( 0.000 -2.816 0.000) 2.816 19.723 ( 0.000 -2.788 0.000) 2.788 20.049 ( 0.000 -2.961 0.000) 2.961 20.074 ( 0.000 -5.027 0.000) 5.027 20.149 ( 0.000 -2.092 0.000) 2.092 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 22.750 17.233 0.000) 28.540 0.918 ( 33.808 11.365 0.000) 35.667 1.169 ( 26.060 30.939 0.000) 40.452 1.666 ( 4.997 25.770 0.000) 26.250 2.396 ( -12.186 5.898 0.000) 13.538 2.545 ( -5.474 8.721 0.000) 10.297 2.676 ( -15.954 7.819 0.000) 17.767 2.743 ( -12.295 7.237 0.000) 14.266 2.767 ( -18.945 6.232 0.000) 19.943 2.908 ( -2.687 9.592 0.000) 9.961 3.247 ( -10.935 12.035 0.000) 16.261 3.451 ( -0.255 11.277 0.000) 11.280 3.615 ( 7.870 16.102 0.000) 17.923 3.700 ( 6.798 7.965 0.000) 10.472 3.962 ( 1.838 11.836 0.000) 11.978 3.995 ( 21.456 -0.462 0.000) 21.461 4.052 ( -10.876 7.192 0.000) 13.039 4.081 ( 9.300 5.608 0.000) 10.860 4.240 ( 0.520 2.548 0.000) 2.600 4.498 ( -11.389 2.117 0.000) 11.584 4.705 ( 23.612 6.425 0.000) 24.471 5.015 ( 8.032 3.163 0.000) 8.632 5.108 ( -9.558 -1.486 0.000) 9.673 5.201 ( -4.979 4.152 0.000) 6.483 5.276 ( 0.024 0.895 0.000) 0.895 5.489 ( 3.752 1.021 0.000) 3.889 5.654 ( 2.609 9.551 0.000) 9.901 5.687 ( 3.746 10.464 0.000) 11.114 5.777 ( -0.398 5.923 0.000) 5.936 6.033 ( -1.825 -5.876 0.000) 6.152 6.110 ( 12.482 2.232 0.000) 12.680 6.243 ( 3.365 -0.722 0.000) 3.442 6.255 ( 0.653 0.422 0.000) 0.777 6.257 ( 4.712 -3.006 0.000) 5.589 6.441 ( -0.976 2.232 0.000) 2.436 6.828 ( -2.883 -1.590 0.000) 3.293 6.887 ( -18.754 -0.917 0.000) 18.776 7.014 ( -7.941 0.487 0.000) 7.956 7.140 ( -0.306 -2.898 0.000) 2.914 7.251 ( -0.159 0.702 0.000) 0.720 7.352 ( -7.855 4.617 0.000) 9.112 7.423 ( -12.443 3.989 0.000) 13.067 7.556 ( 4.241 0.733 0.000) 4.304 7.747 ( -7.580 -0.670 0.000) 7.609 7.860 ( 5.826 4.694 0.000) 7.482 7.978 ( -2.582 0.677 0.000) 2.669 8.044 ( 10.255 4.286 0.000) 11.115 8.241 ( -6.285 0.937 0.000) 6.355 8.362 ( -10.061 -3.600 0.000) 10.686 8.408 ( 5.140 0.141 0.000) 5.142 8.503 ( 3.807 2.353 0.000) 4.476 8.764 ( 4.784 -1.397 0.000) 4.984 8.928 ( 1.793 -1.841 0.000) 2.570 9.000 ( 1.792 -1.026 0.000) 2.065 9.302 ( -0.531 -2.421 0.000) 2.478 9.345 ( 0.019 -1.713 0.000) 1.713 9.489 ( 1.462 5.882 0.000) 6.061 9.544 ( 0.172 5.886 0.000) 5.889 9.566 ( -1.362 4.411 0.000) 4.617 9.660 ( -0.405 6.793 0.000) 6.805 9.830 ( 4.163 8.872 0.000) 9.801 9.840 ( 3.017 6.280 0.000) 6.967 10.089 ( -2.543 8.969 0.000) 9.323 10.456 ( -26.827 26.913 0.000) 38.000 11.330 ( -3.052 -0.337 0.000) 3.070 11.391 ( -4.610 3.036 0.000) 5.520 11.487 ( -7.435 8.470 0.000) 11.270 11.610 ( -1.752 -1.202 0.000) 2.124 11.939 ( 6.141 -0.467 0.000) 6.159 12.158 ( -2.289 -1.146 0.000) 2.560 12.331 ( 5.880 -2.262 0.000) 6.300 12.395 ( 2.761 -1.114 0.000) 2.978 13.494 ( -0.808 2.200 0.000) 2.344 13.553 ( -6.876 6.467 0.000) 9.439 13.861 ( -11.793 3.717 0.000) 12.365 14.019 ( -14.179 0.112 0.000) 14.179 14.189 ( 6.904 -0.766 0.000) 6.946 14.231 ( 6.225 0.879 0.000) 6.287 14.271 ( 5.263 0.843 0.000) 5.330 14.453 ( 2.006 -0.102 0.000) 2.009 15.209 ( 1.686 0.213 0.000) 1.699 15.263 ( 4.082 0.811 0.000) 4.162 15.424 ( -2.487 0.052 0.000) 2.487 15.809 ( -7.959 -0.295 0.000) 7.965 15.911 ( 0.440 -1.248 0.000) 1.323 15.956 ( -1.670 0.611 0.000) 1.778 16.034 ( 1.633 -1.309 0.000) 2.093 16.095 ( 1.300 -0.521 0.000) 1.400 17.748 ( -3.806 -0.203 0.000) 3.812 17.795 ( -5.421 -0.388 0.000) 5.435 17.855 ( 1.859 -0.641 0.000) 1.967 17.934 ( 1.729 -0.779 0.000) 1.896 18.203 ( 2.174 -0.138 0.000) 2.179 18.347 ( -0.748 -0.364 0.000) 0.832 18.446 ( 8.049 -0.566 0.000) 8.069 18.651 ( 3.047 -0.787 0.000) 3.147 18.832 ( 4.662 -1.574 0.000) 4.921 18.881 ( 1.508 -0.127 0.000) 1.513 18.952 ( -1.889 -1.469 0.000) 2.393 19.066 ( -5.373 -4.389 0.000) 6.938 19.204 ( -10.102 -1.879 0.000) 10.275 19.370 ( 1.082 -6.386 0.000) 6.477 19.604 ( 10.841 -7.639 0.000) 13.262 19.753 ( 6.491 -3.772 0.000) 7.507 19.891 ( 7.966 -5.947 0.000) 9.941 20.037 ( -1.031 -3.022 0.000) 3.193 20.094 ( 0.133 -4.505 0.000) 4.507 20.134 ( -2.231 -6.623 0.000) 6.988 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 21.468 16.636 0.000) 27.159 1.506 ( -0.593 19.444 0.000) 19.453 1.590 ( 33.855 5.192 0.000) 34.251 1.804 ( 9.136 21.039 0.000) 22.936 2.032 ( -16.238 13.182 0.000) 20.915 2.213 ( -30.006 3.012 0.000) 30.157 2.506 ( -0.770 5.520 0.000) 5.574 2.586 ( -2.883 11.144 0.000) 11.511 2.800 ( 13.407 2.670 0.000) 13.671 2.882 ( 10.586 6.075 0.000) 12.205 3.209 ( 1.682 17.592 0.000) 17.672 3.239 ( -15.715 8.061 0.000) 17.662 3.439 ( -14.749 13.427 0.000) 19.945 3.602 ( -33.300 7.133 0.000) 34.055 3.808 ( 4.432 19.219 0.000) 19.723 3.903 ( -4.503 18.475 0.000) 19.016 4.246 ( 23.582 0.047 0.000) 23.582 4.441 ( 22.187 -1.563 0.000) 22.242 4.571 ( 26.769 7.064 0.000) 27.686 4.737 ( -16.039 -1.463 0.000) 16.105 4.852 ( 11.874 2.281 0.000) 12.091 4.887 ( -13.139 -1.399 0.000) 13.213 5.015 ( -16.105 8.110 0.000) 18.032 5.167 ( -9.676 3.296 0.000) 10.222 5.263 ( 24.776 2.097 0.000) 24.865 5.584 ( -2.264 -0.246 0.000) 2.277 5.728 ( 4.574 6.507 0.000) 7.953 5.770 ( -0.523 6.785 0.000) 6.805 5.832 ( 8.357 7.990 0.000) 11.562 5.983 ( -5.970 4.868 0.000) 7.703 6.099 ( 0.433 -0.996 0.000) 1.086 6.253 ( -4.794 -2.317 0.000) 5.324 6.306 ( 1.865 -1.444 0.000) 2.359 6.406 ( 8.155 -1.246 0.000) 8.249 6.489 ( 3.027 -0.107 0.000) 3.029 6.634 ( -3.813 0.461 0.000) 3.841 6.685 ( -9.155 -0.050 0.000) 9.155 6.788 ( -13.227 -0.073 0.000) 13.227 7.139 ( -4.659 3.977 0.000) 6.125 7.168 ( -2.633 4.053 0.000) 4.834 7.241 ( 0.575 4.032 0.000) 4.073 7.271 ( -2.035 5.075 0.000) 5.468 7.661 ( 4.611 -1.114 0.000) 4.744 7.725 ( 0.256 -1.273 0.000) 1.299 7.896 ( 0.047 0.563 0.000) 0.565 7.923 ( -1.598 1.513 0.000) 2.201 8.103 ( -3.690 -0.748 0.000) 3.765 8.161 ( -7.439 -2.333 0.000) 7.796 8.294 ( 11.570 3.188 0.000) 12.001 8.468 ( -4.465 2.083 0.000) 4.927 8.599 ( 8.323 -4.050 0.000) 9.256 8.747 ( -5.681 -3.200 0.000) 6.521 8.992 ( 3.421 -2.329 0.000) 4.138 9.024 ( 0.159 -2.459 0.000) 2.464 9.301 ( 0.587 -0.894 0.000) 1.069 9.324 ( -1.605 -1.338 0.000) 2.090 9.522 ( 1.163 4.898 0.000) 5.034 9.541 ( -1.049 4.826 0.000) 4.939 9.570 ( 2.814 6.679 0.000) 7.248 9.629 ( -2.693 7.152 0.000) 7.642 9.921 ( 5.207 7.368 0.000) 9.022 9.938 ( 6.735 11.389 0.000) 13.232 10.019 ( -4.499 7.817 0.000) 9.020 10.109 ( -11.560 19.127 0.000) 22.349 11.296 ( 0.132 0.301 0.000) 0.329 11.321 ( -2.173 0.571 0.000) 2.247 11.508 ( 2.963 -0.415 0.000) 2.992 11.565 ( -2.764 -1.038 0.000) 2.953 12.057 ( 5.117 -0.887 0.000) 5.193 12.124 ( -2.028 -1.156 0.000) 2.335 12.427 ( 3.245 -2.270 0.000) 3.961 12.443 ( 1.441 -1.615 0.000) 2.164 13.519 ( 3.527 1.940 0.000) 4.025 13.536 ( 3.753 1.842 0.000) 4.181 13.662 ( -7.771 3.467 0.000) 8.509 13.740 ( -12.959 1.575 0.000) 13.054 14.312 ( 4.824 -0.305 0.000) 4.834 14.343 ( 2.228 0.114 0.000) 2.231 14.346 ( 4.675 1.262 0.000) 4.842 14.438 ( -3.314 0.329 0.000) 3.330 15.266 ( 4.123 -0.193 0.000) 4.127 15.354 ( -4.465 -0.153 0.000) 4.468 15.389 ( 8.997 0.933 0.000) 9.045 15.599 ( -11.984 0.420 0.000) 11.991 15.931 ( 1.125 -0.619 0.000) 1.284 15.946 ( -0.349 -0.073 0.000) 0.357 16.072 ( 1.989 -1.212 0.000) 2.329 16.100 ( -0.729 -0.858 0.000) 1.127 17.694 ( -1.357 0.299 0.000) 1.390 17.707 ( -2.845 0.345 0.000) 2.866 17.891 ( 2.083 -0.478 0.000) 2.137 17.933 ( -1.671 -0.581 0.000) 1.769 18.259 ( 3.483 0.007 0.000) 3.483 18.319 ( -2.352 -0.099 0.000) 2.354 18.633 ( 9.633 -1.685 0.000) 9.779 18.727 ( 2.846 -1.985 0.000) 3.470 18.852 ( -1.282 -2.077 0.000) 2.441 18.881 ( 0.411 -1.576 0.000) 1.628 18.929 ( -6.853 -2.187 0.000) 7.193 18.987 ( -4.407 -0.653 0.000) 4.455 19.080 ( 6.198 -0.852 0.000) 6.257 19.257 ( -8.914 -1.846 0.000) 9.104 19.791 ( 7.842 -4.813 0.000) 9.202 19.855 ( 2.320 -3.292 0.000) 4.027 19.995 ( 2.431 -3.139 0.000) 3.970 20.013 ( -1.053 -3.370 0.000) 3.531 20.055 ( -2.747 -6.397 0.000) 6.961 20.079 ( -2.343 -5.334 0.000) 5.826 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 27.501 0.000) 27.501 1.007 ( 0.000 27.302 0.000) 27.302 1.731 ( 0.000 39.329 0.000) 39.329 2.197 ( 0.000 25.920 0.000) 25.920 2.506 ( 0.000 5.133 0.000) 5.133 2.923 ( 0.000 5.662 0.000) 5.662 2.984 ( 0.000 7.970 0.000) 7.970 3.065 ( 0.000 8.915 0.000) 8.915 3.267 ( 0.000 0.269 0.000) 0.269 3.308 ( 0.000 0.404 0.000) 0.404 3.451 ( 0.000 9.450 0.000) 9.450 3.481 ( 0.000 16.246 0.000) 16.246 3.713 ( 0.000 11.647 0.000) 11.647 3.822 ( 0.000 7.346 0.000) 7.346 3.858 ( 0.000 9.203 0.000) 9.203 4.090 ( 0.000 25.400 0.000) 25.400 4.266 ( 0.000 23.215 0.000) 23.215 4.441 ( 0.000 3.932 0.000) 3.932 4.526 ( 0.000 11.706 0.000) 11.706 4.649 ( 0.000 17.503 0.000) 17.503 4.788 ( 0.000 10.055 0.000) 10.055 5.130 ( 0.000 4.094 0.000) 4.094 5.135 ( 0.000 4.011 0.000) 4.011 5.252 ( 0.000 5.968 0.000) 5.968 5.353 ( 0.000 6.559 0.000) 6.559 5.491 ( 0.000 2.997 0.000) 2.997 5.760 ( 0.000 -1.987 0.000) 1.987 5.805 ( 0.000 3.749 0.000) 3.749 5.888 ( 0.000 -0.172 0.000) 0.172 5.926 ( 0.000 3.379 0.000) 3.379 6.094 ( 0.000 7.515 0.000) 7.515 6.130 ( 0.000 12.264 0.000) 12.264 6.336 ( 0.000 1.844 0.000) 1.844 6.359 ( 0.000 14.897 0.000) 14.897 6.607 ( 0.000 9.660 0.000) 9.660 6.818 ( 0.000 0.854 0.000) 0.854 6.972 ( 0.000 -11.300 0.000) 11.300 7.129 ( 0.000 -0.806 0.000) 0.806 7.131 ( 0.000 -2.055 0.000) 2.055 7.234 ( 0.000 5.010 0.000) 5.010 7.378 ( 0.000 3.607 0.000) 3.607 7.636 ( 0.000 6.186 0.000) 6.186 7.664 ( 0.000 -3.651 0.000) 3.651 7.854 ( 0.000 6.251 0.000) 6.251 7.959 ( 0.000 2.980 0.000) 2.980 7.976 ( 0.000 3.084 0.000) 3.084 8.061 ( 0.000 5.501 0.000) 5.501 8.200 ( 0.000 -1.140 0.000) 1.140 8.433 ( 0.000 -3.765 0.000) 3.765 8.495 ( 0.000 -1.793 0.000) 1.793 8.613 ( 0.000 9.637 0.000) 9.637 8.649 ( 0.000 7.301 0.000) 7.301 8.885 ( 0.000 -4.410 0.000) 4.410 8.953 ( 0.000 -1.527 0.000) 1.527 9.202 ( 0.000 -6.056 0.000) 6.056 9.292 ( 0.000 -4.195 0.000) 4.195 9.649 ( 0.000 9.834 0.000) 9.834 9.699 ( 0.000 9.482 0.000) 9.482 9.728 ( 0.000 9.790 0.000) 9.790 9.861 ( 0.000 11.958 0.000) 11.958 9.987 ( 0.000 11.595 0.000) 11.595 10.013 ( 0.000 12.033 0.000) 12.033 10.351 ( 0.000 12.569 0.000) 12.569 10.865 ( 0.000 1.292 0.000) 1.292 11.336 ( 0.000 -2.287 0.000) 2.287 11.356 ( 0.000 -1.528 0.000) 1.528 11.589 ( 0.000 -2.562 0.000) 2.562 11.862 ( 0.000 -0.445 0.000) 0.445 12.021 ( 0.000 -2.998 0.000) 2.998 12.146 ( 0.000 -3.115 0.000) 3.115 12.307 ( 0.000 -0.511 0.000) 0.511 12.325 ( 0.000 -2.843 0.000) 2.843 13.581 ( 0.000 4.314 0.000) 4.314 13.914 ( 0.000 0.990 0.000) 0.990 14.008 ( 0.000 0.646 0.000) 0.646 14.134 ( 0.000 -0.380 0.000) 0.380 14.187 ( 0.000 0.569 0.000) 0.569 14.202 ( 0.000 0.171 0.000) 0.171 14.214 ( 0.000 1.839 0.000) 1.839 14.401 ( 0.000 0.472 0.000) 0.472 15.210 ( 0.000 1.088 0.000) 1.088 15.239 ( 0.000 0.650 0.000) 0.650 15.455 ( 0.000 0.708 0.000) 0.708 15.864 ( 0.000 -1.464 0.000) 1.464 15.888 ( 0.000 -0.862 0.000) 0.862 15.968 ( 0.000 -2.701 0.000) 2.701 16.029 ( 0.000 0.222 0.000) 0.222 16.047 ( 0.000 -0.174 0.000) 0.174 17.780 ( 0.000 -1.490 0.000) 1.490 17.789 ( 0.000 -2.420 0.000) 2.420 17.811 ( 0.000 -1.216 0.000) 1.216 17.860 ( 0.000 -1.926 0.000) 1.926 18.176 ( 0.000 0.288 0.000) 0.288 18.352 ( 0.000 -0.316 0.000) 0.316 18.394 ( 0.000 1.220 0.000) 1.220 18.643 ( 0.000 0.490 0.000) 0.490 18.743 ( 0.000 -0.333 0.000) 0.333 18.833 ( 0.000 0.055 0.000) 0.055 18.855 ( 0.000 -3.360 0.000) 3.360 18.923 ( 0.000 -2.293 0.000) 2.293 19.094 ( 0.000 -4.027 0.000) 4.027 19.350 ( 0.000 -9.387 0.000) 9.387 19.367 ( 0.000 0.190 0.000) 0.190 19.644 ( 0.000 -4.744 0.000) 4.744 19.647 ( 0.000 -4.382 0.000) 4.382 19.945 ( 0.000 -7.320 0.000) 7.320 19.965 ( 0.000 -5.124 0.000) 5.124 20.075 ( 0.000 -4.953 0.000) 4.953 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 17.395 21.161 0.000) 27.393 1.250 ( 22.048 20.225 0.000) 29.920 1.885 ( 13.319 35.303 0.000) 37.732 2.214 ( 1.543 24.352 0.000) 24.401 2.518 ( -4.530 5.667 0.000) 7.255 2.729 ( -5.322 8.739 0.000) 10.232 2.824 ( -16.831 2.974 0.000) 17.092 2.877 ( -20.752 9.305 0.000) 22.743 2.938 ( -10.804 10.552 0.000) 15.102 3.204 ( -11.363 13.497 0.000) 17.643 3.517 ( 10.055 7.377 0.000) 12.470 3.582 ( -4.465 11.787 0.000) 12.604 3.864 ( 16.861 4.313 0.000) 17.403 4.029 ( 3.434 2.897 0.000) 4.493 4.076 ( -4.251 26.115 0.000) 26.459 4.134 ( 10.455 5.009 0.000) 11.592 4.205 ( 2.274 7.036 0.000) 7.394 4.363 ( 1.938 22.727 0.000) 22.809 4.553 ( 1.312 4.689 0.000) 4.869 4.595 ( -0.497 28.463 0.000) 28.467 4.893 ( 16.950 10.521 0.000) 19.949 5.068 ( -10.749 0.130 0.000) 10.750 5.120 ( 1.291 5.399 0.000) 5.552 5.306 ( 0.034 5.067 0.000) 5.068 5.355 ( 1.604 8.639 0.000) 8.786 5.536 ( 1.836 4.856 0.000) 5.192 5.773 ( 2.248 -1.533 0.000) 2.721 5.885 ( 5.693 4.888 0.000) 7.504 5.913 ( 4.263 -0.997 0.000) 4.379 5.938 ( 1.795 7.486 0.000) 7.699 6.179 ( 6.730 5.804 0.000) 8.887 6.246 ( -3.006 1.283 0.000) 3.268 6.302 ( 11.340 7.972 0.000) 13.862 6.352 ( -3.166 13.522 0.000) 13.887 6.546 ( -4.702 5.708 0.000) 7.396 6.808 ( -2.778 1.038 0.000) 2.965 6.847 ( -11.394 -2.608 0.000) 11.689 6.967 ( -9.207 -2.530 0.000) 9.548 7.186 ( 2.941 4.674 0.000) 5.522 7.282 ( 3.899 2.003 0.000) 4.383 7.425 ( -4.144 2.052 0.000) 4.624 7.516 ( -5.538 5.532 0.000) 7.828 7.606 ( -4.727 4.332 0.000) 6.411 7.750 ( -5.774 1.361 0.000) 5.933 7.913 ( -1.089 -0.555 0.000) 1.222 8.011 ( -2.084 2.829 0.000) 3.513 8.151 ( 8.504 4.977 0.000) 9.853 8.218 ( -4.021 -3.435 0.000) 5.288 8.276 ( -6.344 -2.913 0.000) 6.981 8.458 ( -4.633 4.300 0.000) 6.321 8.598 ( 0.937 6.585 0.000) 6.651 8.745 ( 2.162 -0.268 0.000) 2.179 8.868 ( 1.388 -4.044 0.000) 4.275 8.970 ( 1.104 -1.044 0.000) 1.520 9.225 ( 1.649 -4.612 0.000) 4.898 9.278 ( -1.202 -4.588 0.000) 4.743 9.656 ( 1.183 9.917 0.000) 9.988 9.706 ( 0.718 9.695 0.000) 9.721 9.736 ( -0.155 10.686 0.000) 10.687 9.858 ( -0.163 11.812 0.000) 11.813 10.021 ( 2.138 11.064 0.000) 11.269 10.061 ( 6.304 12.612 0.000) 14.099 10.316 ( -3.483 12.237 0.000) 12.723 10.764 ( -10.882 7.310 0.000) 13.110 11.307 ( -1.640 -1.525 0.000) 2.239 11.385 ( 1.308 -1.566 0.000) 2.041 11.572 ( -1.671 -2.498 0.000) 3.005 11.717 ( -23.165 8.896 0.000) 24.814 11.925 ( 5.544 -0.853 0.000) 5.609 12.129 ( -2.859 -1.605 0.000) 3.278 12.271 ( 4.390 -3.359 0.000) 5.528 12.352 ( 2.315 -3.092 0.000) 3.863 13.559 ( -1.230 4.019 0.000) 4.203 13.677 ( -9.820 5.197 0.000) 11.110 13.953 ( -12.628 4.526 0.000) 13.414 14.024 ( -12.386 0.474 0.000) 12.396 14.180 ( 7.905 0.066 0.000) 7.905 14.248 ( 6.255 0.864 0.000) 6.314 14.295 ( 4.881 1.417 0.000) 5.082 14.453 ( 2.181 0.167 0.000) 2.187 15.214 ( 0.930 0.298 0.000) 0.977 15.286 ( 4.587 1.372 0.000) 4.788 15.427 ( -2.831 0.344 0.000) 2.852 15.797 ( -7.354 -0.954 0.000) 7.416 15.889 ( 0.787 -0.948 0.000) 1.232 15.958 ( -1.130 -0.752 0.000) 1.358 16.004 ( 1.018 -0.986 0.000) 1.417 16.083 ( 0.919 -0.648 0.000) 1.125 17.739 ( -2.761 -0.672 0.000) 2.842 17.781 ( -3.261 -0.971 0.000) 3.402 17.836 ( 1.978 -1.141 0.000) 2.284 17.903 ( 2.502 -2.329 0.000) 3.418 18.202 ( 2.600 0.055 0.000) 2.600 18.341 ( -0.812 -0.183 0.000) 0.833 18.433 ( 5.948 -0.579 0.000) 5.976 18.632 ( 0.971 -0.993 0.000) 1.389 18.789 ( 1.182 -2.622 0.000) 2.876 18.865 ( 2.219 -1.607 0.000) 2.740 18.915 ( 0.290 -2.059 0.000) 2.079 18.955 ( -1.287 -5.435 0.000) 5.586 19.133 ( -6.103 -4.964 0.000) 7.866 19.255 ( 4.856 -4.474 0.000) 6.603 19.462 ( 6.250 -5.767 0.000) 8.504 19.656 ( 5.377 -5.505 0.000) 7.695 19.772 ( 7.191 -5.729 0.000) 9.194 19.949 ( -0.469 -6.435 0.000) 6.452 19.953 ( -0.923 -6.688 0.000) 6.752 20.032 ( -4.100 -5.236 0.000) 6.650 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 20.743 15.644 0.000) 25.981 1.748 ( 26.794 11.330 0.000) 29.091 1.940 ( -12.811 18.244 0.000) 22.293 2.247 ( -3.386 16.383 0.000) 16.729 2.324 ( -20.309 10.802 0.000) 23.003 2.362 ( -6.031 18.031 0.000) 19.013 2.705 ( 2.582 13.986 0.000) 14.222 2.817 ( -1.522 10.545 0.000) 10.654 2.987 ( 5.672 13.419 0.000) 14.569 3.038 ( 14.462 8.880 0.000) 16.970 3.341 ( -18.557 4.629 0.000) 19.125 3.644 ( 1.501 13.847 0.000) 13.928 3.660 ( -24.537 14.921 0.000) 28.718 3.879 ( -12.424 16.726 0.000) 20.835 4.197 ( 18.364 5.334 0.000) 19.123 4.279 ( 5.910 19.376 0.000) 20.258 4.400 ( 7.776 15.496 0.000) 17.338 4.489 ( 16.042 9.545 0.000) 18.667 4.708 ( -13.939 0.417 0.000) 13.945 4.827 ( 7.177 13.822 0.000) 15.574 4.879 ( -8.434 8.936 0.000) 12.288 4.948 ( 18.546 5.700 0.000) 19.402 5.221 ( -12.572 11.727 0.000) 17.192 5.269 ( -10.242 6.605 0.000) 12.188 5.327 ( 19.522 5.443 0.000) 20.267 5.576 ( -2.008 0.380 0.000) 2.044 5.848 ( 5.100 3.549 0.000) 6.214 5.935 ( -2.642 5.819 0.000) 6.391 6.019 ( 7.987 6.020 0.000) 10.001 6.056 ( 8.238 2.088 0.000) 8.499 6.200 ( -6.157 13.563 0.000) 14.895 6.248 ( -3.749 4.882 0.000) 6.156 6.302 ( 2.766 2.628 0.000) 3.815 6.395 ( 4.132 1.823 0.000) 4.517 6.517 ( -0.450 3.010 0.000) 3.043 6.659 ( -8.415 3.250 0.000) 9.021 6.707 ( -3.428 2.716 0.000) 4.374 6.801 ( -8.555 1.902 0.000) 8.764 7.226 ( 0.300 3.917 0.000) 3.929 7.282 ( -2.760 6.538 0.000) 7.097 7.357 ( 2.696 6.803 0.000) 7.318 7.409 ( -2.257 8.101 0.000) 8.410 7.629 ( 2.818 -1.519 0.000) 3.201 7.704 ( -2.436 -0.383 0.000) 2.466 7.886 ( 0.548 -2.080 0.000) 2.151 7.946 ( -4.413 0.251 0.000) 4.420 8.065 ( -4.229 -3.029 0.000) 5.202 8.111 ( -6.741 -1.611 0.000) 6.931 8.396 ( 10.353 6.201 0.000) 12.068 8.490 ( 5.302 -2.536 0.000) 5.878 8.568 ( -3.757 3.926 0.000) 5.434 8.658 ( -7.801 -5.290 0.000) 9.425 8.950 ( 3.980 -1.465 0.000) 4.241 8.988 ( 0.003 -0.787 0.000) 0.787 9.243 ( 0.653 -3.989 0.000) 4.042 9.260 ( -0.820 -4.151 0.000) 4.232 9.684 ( 1.334 10.127 0.000) 10.215 9.707 ( -1.019 10.329 0.000) 10.379 9.756 ( 3.189 10.966 0.000) 11.420 9.826 ( -3.221 11.565 0.000) 12.006 10.102 ( 5.928 10.392 0.000) 11.964 10.218 ( -1.615 12.099 0.000) 12.206 10.236 ( 6.829 14.319 0.000) 15.864 10.488 ( -15.148 15.790 0.000) 21.881 11.295 ( 0.893 -0.170 0.000) 0.909 11.350 ( -4.523 1.695 0.000) 4.830 11.503 ( -0.391 0.283 0.000) 0.483 11.533 ( -2.214 -2.065 0.000) 3.027 12.032 ( 4.629 -1.482 0.000) 4.860 12.092 ( -1.819 -1.848 0.000) 2.593 12.361 ( 3.556 -4.113 0.000) 5.438 12.389 ( 0.702 -3.738 0.000) 3.804 13.571 ( 2.741 3.213 0.000) 4.223 13.596 ( 0.119 3.817 0.000) 3.819 13.752 ( -7.003 4.986 0.000) 8.597 13.787 ( -10.085 2.873 0.000) 10.486 14.311 ( 5.058 0.241 0.000) 5.063 14.348 ( 1.943 0.366 0.000) 1.977 14.376 ( 4.270 1.686 0.000) 4.591 14.450 ( -2.419 0.846 0.000) 2.563 15.261 ( 3.921 -0.214 0.000) 3.927 15.351 ( -4.733 -0.122 0.000) 4.734 15.414 ( 8.616 1.363 0.000) 8.723 15.609 ( -10.877 0.454 0.000) 10.886 15.916 ( 1.619 -0.886 0.000) 1.846 15.941 ( -0.943 -0.421 0.000) 1.033 16.042 ( 2.247 -1.501 0.000) 2.702 16.078 ( -1.257 -1.164 0.000) 1.713 17.700 ( -0.851 0.307 0.000) 0.904 17.716 ( -2.464 0.443 0.000) 2.503 17.876 ( 2.095 -1.016 0.000) 2.328 17.912 ( -1.201 -1.477 0.000) 1.903 18.260 ( 3.337 0.142 0.000) 3.340 18.316 ( -2.145 -0.083 0.000) 2.147 18.585 ( 8.198 -2.854 0.000) 8.681 18.672 ( 1.169 -3.255 0.000) 3.459 18.797 ( -0.842 -3.187 0.000) 3.296 18.835 ( -1.778 -2.802 0.000) 3.318 18.874 ( -2.260 -3.079 0.000) 3.820 18.957 ( -6.112 -2.486 0.000) 6.598 19.054 ( 7.106 -1.601 0.000) 7.284 19.209 ( -7.167 -2.661 0.000) 7.645 19.663 ( 10.268 -7.164 0.000) 12.520 19.762 ( 2.725 -5.681 0.000) 6.301 19.883 ( 2.101 -8.052 0.000) 8.321 19.908 ( -2.092 -5.994 0.000) 6.348 19.914 ( -2.069 -6.523 0.000) 6.843 19.961 ( -2.550 -6.112 0.000) 6.623 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 29.302 0.000) 29.302 1.573 ( 0.000 27.697 0.000) 27.697 2.442 ( 0.000 29.185 0.000) 29.185 2.605 ( 0.000 13.725 0.000) 13.725 2.617 ( 0.000 5.872 0.000) 5.872 3.013 ( 0.000 1.960 0.000) 1.960 3.089 ( 0.000 0.654 0.000) 0.654 3.198 ( 0.000 2.463 0.000) 2.463 3.218 ( 0.000 -0.080 0.000) 0.080 3.284 ( 0.000 3.562 0.000) 3.562 3.668 ( 0.000 10.500 0.000) 10.500 3.839 ( 0.000 16.129 0.000) 16.129 3.903 ( 0.000 5.532 0.000) 5.532 3.949 ( 0.000 5.674 0.000) 5.674 4.115 ( 0.000 15.619 0.000) 15.619 4.449 ( 0.000 4.062 0.000) 4.062 4.589 ( 0.000 4.876 0.000) 4.876 4.709 ( 0.000 20.567 0.000) 20.567 4.718 ( 0.000 12.363 0.000) 12.363 4.942 ( 0.000 5.337 0.000) 5.337 5.123 ( 0.000 21.446 0.000) 21.446 5.261 ( 0.000 11.836 0.000) 11.836 5.304 ( 0.000 12.134 0.000) 12.134 5.357 ( 0.000 1.696 0.000) 1.696 5.447 ( 0.000 -1.851 0.000) 1.851 5.678 ( 0.000 6.014 0.000) 6.014 5.708 ( 0.000 1.788 0.000) 1.788 5.840 ( 0.000 14.308 0.000) 14.308 5.965 ( 0.000 -1.735 0.000) 1.735 5.975 ( 0.000 8.708 0.000) 8.708 6.326 ( 0.000 7.531 0.000) 7.531 6.329 ( 0.000 12.711 0.000) 12.711 6.568 ( 0.000 19.074 0.000) 19.074 6.660 ( 0.000 -1.621 0.000) 1.621 6.840 ( 0.000 13.342 0.000) 13.342 6.860 ( 0.000 12.580 0.000) 12.580 6.930 ( 0.000 12.478 0.000) 12.478 7.081 ( 0.000 -1.171 0.000) 1.171 7.100 ( 0.000 -0.188 0.000) 0.188 7.362 ( 0.000 3.050 0.000) 3.050 7.457 ( 0.000 4.252 0.000) 4.252 7.548 ( 0.000 -3.085 0.000) 3.085 7.780 ( 0.000 6.392 0.000) 6.392 7.973 ( 0.000 5.492 0.000) 5.492 8.037 ( 0.000 1.549 0.000) 1.549 8.044 ( 0.000 4.668 0.000) 4.668 8.144 ( 0.000 1.653 0.000) 1.653 8.188 ( 0.000 0.134 0.000) 0.134 8.402 ( 0.000 3.340 0.000) 3.340 8.450 ( 0.000 -0.480 0.000) 0.480 8.770 ( 0.000 -6.145 0.000) 6.145 8.833 ( 0.000 10.965 0.000) 10.965 8.852 ( 0.000 9.790 0.000) 9.790 8.904 ( 0.000 -2.448 0.000) 2.448 9.083 ( 0.000 -4.756 0.000) 4.756 9.197 ( 0.000 -4.231 0.000) 4.231 9.859 ( 0.000 10.235 0.000) 10.235 9.917 ( 0.000 11.369 0.000) 11.369 9.948 ( 0.000 11.136 0.000) 11.136 10.091 ( 0.000 10.023 0.000) 10.023 10.230 ( 0.000 11.625 0.000) 11.625 10.277 ( 0.000 12.704 0.000) 12.704 10.587 ( 0.000 9.908 0.000) 9.908 10.904 ( 0.000 2.526 0.000) 2.526 11.286 ( 0.000 -2.551 0.000) 2.551 11.325 ( 0.000 -1.428 0.000) 1.428 11.523 ( 0.000 -3.882 0.000) 3.882 11.850 ( 0.000 -0.804 0.000) 0.804 11.936 ( 0.000 -5.174 0.000) 5.174 12.079 ( 0.000 -3.314 0.000) 3.314 12.248 ( 0.000 -4.592 0.000) 4.592 12.293 ( 0.000 -1.016 0.000) 1.016 13.682 ( 0.000 5.348 0.000) 5.348 13.940 ( 0.000 1.578 0.000) 1.578 14.017 ( 0.000 0.193 0.000) 0.193 14.126 ( 0.000 -0.292 0.000) 0.292 14.203 ( 0.000 1.037 0.000) 1.037 14.203 ( 0.000 0.191 0.000) 0.191 14.269 ( 0.000 3.221 0.000) 3.221 14.415 ( 0.000 0.912 0.000) 0.912 15.236 ( 0.000 1.364 0.000) 1.364 15.254 ( 0.000 0.834 0.000) 0.834 15.473 ( 0.000 1.142 0.000) 1.142 15.815 ( 0.000 -2.639 0.000) 2.639 15.885 ( 0.000 -0.172 0.000) 0.172 15.909 ( 0.000 -2.894 0.000) 2.894 16.035 ( 0.000 0.502 0.000) 0.502 16.050 ( 0.000 0.519 0.000) 0.519 17.736 ( 0.000 -2.694 0.000) 2.694 17.744 ( 0.000 -1.946 0.000) 1.946 17.781 ( 0.000 -1.613 0.000) 1.613 17.816 ( 0.000 -2.311 0.000) 2.311 18.189 ( 0.000 1.029 0.000) 1.029 18.347 ( 0.000 -0.168 0.000) 0.168 18.426 ( 0.000 1.924 0.000) 1.924 18.651 ( 0.000 0.297 0.000) 0.297 18.728 ( 0.000 -1.225 0.000) 1.225 18.773 ( 0.000 -4.558 0.000) 4.558 18.818 ( 0.000 -1.839 0.000) 1.839 18.873 ( 0.000 -2.266 0.000) 2.266 19.000 ( 0.000 -4.977 0.000) 4.977 19.156 ( 0.000 -9.089 0.000) 9.089 19.368 ( 0.000 -0.135 0.000) 0.135 19.538 ( 0.000 -5.324 0.000) 5.324 19.552 ( 0.000 -4.735 0.000) 4.735 19.786 ( 0.000 -7.903 0.000) 7.903 19.849 ( 0.000 -5.965 0.000) 5.965 19.955 ( 0.000 -6.591 0.000) 6.591 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 8.515 24.325 0.000) 25.773 1.707 ( 12.886 23.695 0.000) 26.972 2.491 ( -4.130 18.496 0.000) 18.951 2.575 ( -0.277 11.905 0.000) 11.908 2.667 ( 3.718 11.858 0.000) 12.427 2.880 ( -12.076 6.408 0.000) 13.671 2.903 ( -1.716 4.539 0.000) 4.853 3.069 ( -12.240 10.663 0.000) 16.233 3.156 ( -8.506 9.473 0.000) 12.731 3.326 ( 2.858 1.987 0.000) 3.481 3.686 ( -4.772 7.761 0.000) 9.111 3.800 ( 4.687 6.514 0.000) 8.025 3.987 ( 5.437 5.258 0.000) 7.564 4.114 ( -1.740 8.366 0.000) 8.545 4.221 ( 8.760 5.720 0.000) 10.462 4.268 ( 0.048 3.331 0.000) 3.332 4.639 ( 0.196 6.036 0.000) 6.039 4.657 ( -2.470 23.091 0.000) 23.223 4.833 ( 8.914 14.055 0.000) 16.643 5.031 ( 13.367 5.544 0.000) 14.471 5.076 ( -13.954 3.463 0.000) 14.377 5.183 ( 2.719 18.166 0.000) 18.368 5.311 ( -3.212 16.397 0.000) 16.709 5.414 ( 7.762 7.263 0.000) 10.630 5.555 ( 3.324 3.510 0.000) 4.834 5.706 ( 2.584 -0.366 0.000) 2.610 5.785 ( 4.347 19.046 0.000) 19.535 5.823 ( 3.906 -3.068 0.000) 4.966 5.944 ( 1.288 4.673 0.000) 4.847 6.107 ( 9.600 5.543 0.000) 11.085 6.286 ( -3.739 8.181 0.000) 8.995 6.433 ( 7.083 9.832 0.000) 12.118 6.549 ( -0.504 9.132 0.000) 9.146 6.623 ( -3.331 9.122 0.000) 9.712 6.733 ( -5.498 20.673 0.000) 21.392 6.835 ( -4.042 3.969 0.000) 5.664 6.953 ( -9.402 2.773 0.000) 9.803 6.958 ( 1.791 11.112 0.000) 11.255 7.233 ( 7.933 2.046 0.000) 8.192 7.362 ( 0.638 5.565 0.000) 5.602 7.479 ( 0.926 2.890 0.000) 3.035 7.598 ( 0.695 1.458 0.000) 1.615 7.708 ( -3.250 6.437 0.000) 7.210 7.825 ( -9.525 5.876 0.000) 11.191 7.920 ( -9.863 3.058 0.000) 10.326 8.024 ( -3.269 -2.757 0.000) 4.276 8.130 ( -7.875 -2.950 0.000) 8.410 8.157 ( -0.663 -2.243 0.000) 2.339 8.353 ( 7.449 7.442 0.000) 10.530 8.563 ( -7.151 5.994 0.000) 9.331 8.679 ( -7.386 -6.179 0.000) 9.630 8.731 ( 1.103 4.427 0.000) 4.562 8.852 ( 1.050 2.859 0.000) 3.046 8.965 ( 2.542 0.685 0.000) 2.633 9.152 ( 3.996 -1.253 0.000) 4.188 9.185 ( -0.830 -3.602 0.000) 3.697 9.869 ( 1.385 10.457 0.000) 10.548 9.924 ( 0.857 11.207 0.000) 11.239 9.966 ( 0.631 11.328 0.000) 11.346 10.098 ( 0.848 10.896 0.000) 10.929 10.263 ( -0.232 11.847 0.000) 11.849 10.315 ( 7.751 11.662 0.000) 14.003 10.552 ( -3.622 10.162 0.000) 10.788 10.866 ( -4.183 3.802 0.000) 5.652 11.274 ( -0.401 -1.579 0.000) 1.629 11.347 ( 1.570 -2.006 0.000) 2.547 11.508 ( -1.396 -3.735 0.000) 3.987 11.806 ( -13.929 0.065 0.000) 13.929 11.906 ( 4.719 -0.961 0.000) 4.816 12.092 ( -1.883 -2.167 0.000) 2.871 12.207 ( -0.339 -2.611 0.000) 2.633 12.271 ( 1.686 -4.662 0.000) 4.958 13.653 ( -1.818 4.964 0.000) 5.287 13.771 ( -8.180 4.217 0.000) 9.203 14.019 ( -8.747 1.646 0.000) 8.901 14.039 ( -10.102 0.994 0.000) 10.151 14.198 ( 7.071 1.670 0.000) 7.265 14.272 ( 5.809 1.646 0.000) 6.038 14.326 ( 4.780 1.632 0.000) 5.051 14.462 ( 2.410 0.688 0.000) 2.506 15.222 ( 0.181 0.466 0.000) 0.500 15.315 ( 4.848 1.387 0.000) 5.043 15.439 ( -3.411 0.805 0.000) 3.505 15.769 ( -5.590 -1.780 0.000) 5.867 15.872 ( 0.008 -0.752 0.000) 0.753 15.923 ( 1.031 -2.181 0.000) 2.413 16.007 ( -0.661 0.934 0.000) 1.144 16.072 ( 0.310 -0.308 0.000) 0.436 17.721 ( -1.367 -1.121 0.000) 1.768 17.755 ( -0.715 -1.554 0.000) 1.711 17.809 ( 2.258 -1.513 0.000) 2.718 17.845 ( 2.690 -3.147 0.000) 4.140 18.209 ( 2.374 0.767 0.000) 2.494 18.340 ( -1.019 0.057 0.000) 1.021 18.428 ( 2.648 0.091 0.000) 2.649 18.612 ( -1.598 -0.991 0.000) 1.880 18.727 ( -0.116 -3.312 0.000) 3.314 18.811 ( 0.598 -3.606 0.000) 3.655 18.854 ( -2.035 -3.619 0.000) 4.152 18.881 ( 3.875 -2.072 0.000) 4.394 19.015 ( -4.301 -6.339 0.000) 7.660 19.165 ( 6.367 -4.440 0.000) 7.763 19.374 ( 0.635 -3.041 0.000) 3.106 19.538 ( 4.198 -5.845 0.000) 7.196 19.656 ( 5.955 -5.546 0.000) 8.138 19.785 ( -0.412 -8.150 0.000) 8.161 19.832 ( -1.918 -6.172 0.000) 6.463 19.911 ( -4.085 -6.392 0.000) 7.586 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 14.726 15.910 0.000) 21.679 2.034 ( 19.888 15.875 0.000) 25.447 2.205 ( -18.351 9.173 0.000) 20.516 2.440 ( -19.624 8.500 0.000) 21.386 2.650 ( -0.165 15.916 0.000) 15.916 2.728 ( -4.195 17.060 0.000) 17.568 3.006 ( 9.983 9.879 0.000) 14.045 3.033 ( 5.966 13.286 0.000) 14.564 3.211 ( -0.758 7.145 0.000) 7.185 3.244 ( 2.583 11.020 0.000) 11.319 3.452 ( -8.384 6.527 0.000) 10.625 3.766 ( -19.932 2.978 0.000) 20.153 3.975 ( 5.321 9.516 0.000) 10.902 4.126 ( -6.580 6.754 0.000) 9.430 4.292 ( 18.326 5.017 0.000) 19.000 4.515 ( 10.893 5.210 0.000) 12.075 4.647 ( 1.880 12.102 0.000) 12.247 4.713 ( -11.742 1.626 0.000) 11.854 4.791 ( 1.024 13.548 0.000) 13.587 5.013 ( -13.255 9.016 0.000) 16.030 5.094 ( 16.059 9.503 0.000) 18.660 5.283 ( 2.619 -0.127 0.000) 2.623 5.383 ( 7.207 23.135 0.000) 24.232 5.488 ( -3.513 11.638 0.000) 12.156 5.569 ( 2.948 11.248 0.000) 11.628 5.659 ( -3.416 8.645 0.000) 9.295 5.909 ( 6.929 2.745 0.000) 7.452 5.958 ( 1.946 5.131 0.000) 5.487 6.036 ( 8.550 -0.396 0.000) 8.559 6.172 ( -6.671 5.384 0.000) 8.573 6.312 ( 9.947 5.131 0.000) 11.193 6.452 ( -1.346 6.809 0.000) 6.941 6.559 ( -5.289 15.599 0.000) 16.471 6.592 ( -3.085 17.230 0.000) 17.504 6.653 ( 3.459 12.328 0.000) 12.804 6.791 ( -5.557 6.661 0.000) 8.675 6.814 ( 1.298 10.062 0.000) 10.145 6.914 ( -6.148 10.447 0.000) 12.121 7.287 ( 2.481 3.005 0.000) 3.897 7.404 ( -4.602 4.407 0.000) 6.372 7.493 ( 6.347 5.786 0.000) 8.589 7.576 ( -3.073 7.002 0.000) 7.646 7.638 ( -0.571 4.122 0.000) 4.162 7.723 ( -2.862 2.793 0.000) 3.999 7.842 ( 1.842 -0.447 0.000) 1.896 7.930 ( -7.959 -0.842 0.000) 8.003 8.012 ( -0.093 -1.773 0.000) 1.776 8.086 ( -6.131 -1.199 0.000) 6.247 8.429 ( -0.477 -1.282 0.000) 1.368 8.510 ( -5.352 -4.213 0.000) 6.811 8.546 ( 6.624 3.051 0.000) 7.293 8.692 ( -5.840 5.654 0.000) 8.128 8.930 ( 4.500 -0.529 0.000) 4.531 8.986 ( -0.958 0.335 0.000) 1.015 9.177 ( 1.021 -1.574 0.000) 1.876 9.197 ( -0.035 -1.103 0.000) 1.104 9.904 ( 1.786 10.798 0.000) 10.945 9.931 ( -0.841 11.052 0.000) 11.084 9.993 ( 3.382 11.657 0.000) 12.138 10.073 ( -3.780 11.882 0.000) 12.469 10.320 ( 6.018 10.336 0.000) 11.960 10.446 ( -5.427 10.147 0.000) 11.507 10.514 ( 10.514 11.781 0.000) 15.791 10.729 ( -9.945 8.269 0.000) 12.934 11.294 ( 2.834 0.015 0.000) 2.834 11.359 ( -1.553 -1.035 0.000) 1.866 11.481 ( -0.906 -2.892 0.000) 3.031 11.532 ( -9.165 1.972 0.000) 9.375 11.999 ( 4.052 -1.711 0.000) 4.398 12.052 ( -1.789 -1.944 0.000) 2.642 12.265 ( 3.232 -5.108 0.000) 6.044 12.295 ( 0.193 -5.217 0.000) 5.221 13.649 ( 1.716 4.308 0.000) 4.637 13.683 ( -1.522 4.535 0.000) 4.783 13.851 ( -6.470 4.347 0.000) 7.795 13.852 ( -6.955 3.371 0.000) 7.729 14.324 ( 4.913 1.061 0.000) 5.026 14.361 ( 1.650 0.954 0.000) 1.906 14.413 ( 4.166 1.884 0.000) 4.573 14.472 ( -1.435 1.333 0.000) 1.959 15.259 ( 3.708 0.009 0.000) 3.708 15.351 ( -5.153 0.177 0.000) 5.157 15.439 ( 7.886 0.960 0.000) 7.944 15.613 ( -9.432 -0.198 0.000) 9.434 15.897 ( 1.977 -0.894 0.000) 2.169 15.928 ( -0.814 -0.803 0.000) 1.144 16.020 ( 1.732 -0.461 0.000) 1.792 16.057 ( -1.669 -0.806 0.000) 1.854 17.704 ( -0.050 0.054 0.000) 0.074 17.723 ( -1.797 0.172 0.000) 1.805 17.850 ( 1.810 -1.536 0.000) 2.374 17.872 ( -0.142 -2.432 0.000) 2.436 18.266 ( 3.097 0.487 0.000) 3.135 18.316 ( -1.836 0.121 0.000) 1.840 18.522 ( 6.004 -3.138 0.000) 6.775 18.600 ( -1.048 -3.658 0.000) 3.805 18.730 ( 0.268 -3.076 0.000) 3.088 18.777 ( -3.834 -2.665 0.000) 4.669 18.805 ( 1.077 -3.539 0.000) 3.699 18.886 ( -5.640 -4.278 0.000) 7.079 19.016 ( 7.117 -2.168 0.000) 7.440 19.154 ( -6.223 -2.695 0.000) 6.782 19.518 ( 10.703 -6.880 0.000) 12.724 19.630 ( 2.750 -7.058 0.000) 7.575 19.729 ( -1.295 -6.761 0.000) 6.884 19.761 ( -3.671 -7.655 0.000) 8.490 19.780 ( 1.514 -6.709 0.000) 6.878 19.835 ( -3.059 -6.046 0.000) 6.776 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 24.637 0.000) 24.637 2.157 ( 0.000 28.329 0.000) 28.329 2.747 ( 0.000 7.480 0.000) 7.480 2.778 ( 0.000 4.175 0.000) 4.175 2.898 ( 0.000 15.055 0.000) 15.055 3.004 ( 0.000 -0.852 0.000) 0.852 3.024 ( 0.000 -4.558 0.000) 4.558 3.229 ( 0.000 1.023 0.000) 1.023 3.308 ( 0.000 7.222 0.000) 7.222 3.437 ( 0.000 9.341 0.000) 9.341 3.873 ( 0.000 7.869 0.000) 7.869 3.997 ( 0.000 5.986 0.000) 5.986 4.034 ( 0.000 3.750 0.000) 3.750 4.115 ( 0.000 9.375 0.000) 9.375 4.411 ( 0.000 12.583 0.000) 12.583 4.525 ( 0.000 4.350 0.000) 4.350 4.714 ( 0.000 7.626 0.000) 7.626 4.848 ( 0.000 2.200 0.000) 2.200 4.876 ( 0.000 -0.314 0.000) 0.314 5.009 ( 0.000 0.173 0.000) 0.173 5.227 ( 0.000 -9.598 0.000) 9.598 5.347 ( 0.000 -1.575 0.000) 1.575 5.447 ( 0.000 6.493 0.000) 6.493 5.566 ( 0.000 7.215 0.000) 7.215 5.568 ( 0.000 6.177 0.000) 6.177 5.800 ( 0.000 13.798 0.000) 13.798 5.878 ( 0.000 12.532 0.000) 12.532 5.918 ( 0.000 2.568 0.000) 2.568 6.107 ( 0.000 4.035 0.000) 4.035 6.303 ( 0.000 16.130 0.000) 16.130 6.494 ( 0.000 -0.012 0.000) 0.012 6.533 ( 0.000 6.805 0.000) 6.805 6.537 ( 0.000 5.225 0.000) 5.225 6.877 ( 0.000 9.305 0.000) 9.305 6.986 ( 0.000 -1.815 0.000) 1.815 7.158 ( 0.000 15.227 0.000) 15.227 7.182 ( 0.000 12.709 0.000) 12.709 7.283 ( 0.000 20.078 0.000) 20.078 7.342 ( 0.000 3.420 0.000) 3.420 7.363 ( 0.000 16.874 0.000) 16.874 7.584 ( 0.000 10.860 0.000) 10.860 7.608 ( 0.000 4.305 0.000) 4.305 7.905 ( 0.000 7.023 0.000) 7.023 7.951 ( 0.000 -6.782 0.000) 6.782 8.108 ( 0.000 6.516 0.000) 6.516 8.134 ( 0.000 3.895 0.000) 3.895 8.215 ( 0.000 5.398 0.000) 5.398 8.216 ( 0.000 3.225 0.000) 3.225 8.509 ( 0.000 5.664 0.000) 5.664 8.540 ( 0.000 8.087 0.000) 8.087 8.674 ( 0.000 -1.956 0.000) 1.956 8.822 ( 0.000 -2.622 0.000) 2.622 8.995 ( 0.000 -0.086 0.000) 0.086 9.033 ( 0.000 7.951 0.000) 7.951 9.095 ( 0.000 8.004 0.000) 8.004 9.163 ( 0.000 2.171 0.000) 2.171 10.053 ( 0.000 8.559 0.000) 8.559 10.142 ( 0.000 10.272 0.000) 10.272 10.160 ( 0.000 9.172 0.000) 9.172 10.263 ( 0.000 6.868 0.000) 6.868 10.442 ( 0.000 8.762 0.000) 8.762 10.492 ( 0.000 7.794 0.000) 7.794 10.746 ( 0.000 5.874 0.000) 5.874 10.965 ( 0.000 3.140 0.000) 3.140 11.235 ( 0.000 -2.429 0.000) 2.429 11.299 ( 0.000 -1.264 0.000) 1.264 11.434 ( 0.000 -4.664 0.000) 4.664 11.792 ( 0.000 -6.846 0.000) 6.846 11.850 ( 0.000 -1.210 0.000) 1.210 12.014 ( 0.000 -2.910 0.000) 2.910 12.148 ( 0.000 -4.903 0.000) 4.903 12.258 ( 0.000 -2.586 0.000) 2.586 13.789 ( 0.000 4.941 0.000) 4.941 13.978 ( 0.000 2.110 0.000) 2.110 14.015 ( 0.000 -0.416 0.000) 0.416 14.123 ( 0.000 -0.061 0.000) 0.061 14.213 ( 0.000 0.762 0.000) 0.762 14.228 ( 0.000 1.419 0.000) 1.419 14.340 ( 0.000 3.626 0.000) 3.626 14.437 ( 0.000 1.196 0.000) 1.196 15.264 ( 0.000 1.350 0.000) 1.350 15.272 ( 0.000 0.884 0.000) 0.884 15.501 ( 0.000 1.594 0.000) 1.594 15.764 ( 0.000 -2.355 0.000) 2.355 15.855 ( 0.000 -2.274 0.000) 2.274 15.873 ( 0.000 -0.981 0.000) 0.981 16.053 ( 0.000 1.165 0.000) 1.165 16.067 ( 0.000 1.121 0.000) 1.121 17.683 ( 0.000 -2.366 0.000) 2.366 17.703 ( 0.000 -2.054 0.000) 2.054 17.747 ( 0.000 -1.696 0.000) 1.696 17.768 ( 0.000 -2.233 0.000) 2.233 18.221 ( 0.000 2.152 0.000) 2.152 18.345 ( 0.000 -0.023 0.000) 0.023 18.470 ( 0.000 2.329 0.000) 2.329 18.655 ( 0.000 0.134 0.000) 0.134 18.671 ( 0.000 -5.315 0.000) 5.315 18.688 ( 0.000 -2.816 0.000) 2.816 18.761 ( 0.000 -3.285 0.000) 3.285 18.829 ( 0.000 -2.355 0.000) 2.355 18.898 ( 0.000 -4.862 0.000) 4.862 18.995 ( 0.000 -6.490 0.000) 6.490 19.360 ( 0.000 -0.777 0.000) 0.777 19.437 ( 0.000 -4.273 0.000) 4.273 19.459 ( 0.000 -4.230 0.000) 4.230 19.633 ( 0.000 -6.935 0.000) 6.935 19.731 ( 0.000 -5.391 0.000) 5.391 19.816 ( 0.000 -6.741 0.000) 6.741 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.288 22.818 0.000) 22.854 2.184 ( 4.915 22.391 0.000) 22.924 2.634 ( -11.418 4.910 0.000) 12.429 2.769 ( -2.117 5.136 0.000) 5.555 2.922 ( 5.798 7.750 0.000) 9.679 3.010 ( -0.355 7.412 0.000) 7.421 3.046 ( 1.219 8.233 0.000) 8.322 3.255 ( 1.111 2.849 0.000) 3.058 3.324 ( -5.296 12.754 0.000) 13.810 3.422 ( 6.745 5.890 0.000) 8.955 3.748 ( -12.940 0.847 0.000) 12.967 3.923 ( 2.537 5.847 0.000) 6.373 4.067 ( -3.186 3.578 0.000) 4.791 4.232 ( 0.596 -0.185 0.000) 0.624 4.335 ( -3.800 7.902 0.000) 8.769 4.432 ( 2.741 10.466 0.000) 10.819 4.779 ( 4.203 7.128 0.000) 8.275 4.913 ( 1.103 3.305 0.000) 3.484 4.972 ( 1.503 1.888 0.000) 2.414 5.050 ( 10.296 -1.863 0.000) 10.463 5.128 ( -6.838 -1.158 0.000) 6.935 5.343 ( -0.267 3.947 0.000) 3.956 5.497 ( 4.825 2.324 0.000) 5.356 5.646 ( 7.128 3.221 0.000) 7.822 5.662 ( 5.022 -0.967 0.000) 5.114 5.768 ( -2.144 12.599 0.000) 12.780 5.862 ( 3.248 11.035 0.000) 11.503 6.039 ( 6.005 9.335 0.000) 11.100 6.105 ( 0.794 2.997 0.000) 3.100 6.368 ( 0.364 16.660 0.000) 16.664 6.429 ( 0.322 0.261 0.000) 0.415 6.543 ( 5.048 6.173 0.000) 7.974 6.645 ( 6.203 7.229 0.000) 9.526 6.890 ( 0.520 7.758 0.000) 7.775 6.954 ( -3.414 5.063 0.000) 6.107 7.096 ( -7.033 12.476 0.000) 14.322 7.128 ( -2.738 15.802 0.000) 16.037 7.195 ( -0.204 14.866 0.000) 14.868 7.433 ( 5.042 13.678 0.000) 14.578 7.485 ( 3.825 7.175 0.000) 8.130 7.568 ( 1.289 7.464 0.000) 7.575 7.675 ( 1.633 7.208 0.000) 7.391 7.818 ( -4.998 1.665 0.000) 5.268 7.957 ( 0.008 0.363 0.000) 0.363 7.960 ( -10.530 8.353 0.000) 13.440 8.060 ( -9.537 9.485 0.000) 13.450 8.123 ( -5.705 2.196 0.000) 6.113 8.140 ( -4.712 1.634 0.000) 4.987 8.488 ( 4.740 4.786 0.000) 6.736 8.549 ( -9.066 -4.763 0.000) 10.241 8.700 ( -11.951 7.017 0.000) 13.858 8.800 ( 9.025 3.559 0.000) 9.701 8.885 ( -0.422 1.023 0.000) 1.107 9.023 ( -3.733 4.389 0.000) 5.761 9.163 ( 3.299 2.280 0.000) 4.010 9.198 ( 2.214 4.400 0.000) 4.925 10.066 ( 1.542 8.556 0.000) 8.694 10.142 ( 0.247 9.617 0.000) 9.620 10.180 ( 0.919 9.311 0.000) 9.356 10.287 ( 2.307 7.594 0.000) 7.937 10.472 ( -1.237 8.137 0.000) 8.230 10.520 ( 7.352 8.209 0.000) 11.020 10.719 ( -2.772 6.342 0.000) 6.921 10.938 ( -2.745 3.293 0.000) 4.287 11.241 ( 0.943 -1.801 0.000) 2.033 11.307 ( 0.769 -1.933 0.000) 2.080 11.423 ( -0.951 -4.433 0.000) 4.534 11.744 ( -6.563 -5.587 0.000) 8.619 11.888 ( 3.794 -0.758 0.000) 3.869 12.037 ( 0.948 -2.998 0.000) 3.144 12.151 ( -1.206 -3.973 0.000) 4.152 12.186 ( -2.342 -2.740 0.000) 3.605 13.753 ( -2.301 4.651 0.000) 5.189 13.852 ( -6.284 3.727 0.000) 7.306 14.029 ( -3.974 -0.247 0.000) 3.982 14.061 ( -7.863 1.087 0.000) 7.937 14.239 ( 6.267 2.111 0.000) 6.613 14.315 ( 5.653 2.363 0.000) 6.127 14.363 ( 3.397 2.119 0.000) 4.004 14.480 ( 2.586 0.991 0.000) 2.770 15.234 ( -0.428 0.757 0.000) 0.870 15.338 ( 4.430 0.777 0.000) 4.497 15.461 ( -3.986 1.330 0.000) 4.202 15.728 ( -4.357 -2.160 0.000) 4.863 15.852 ( -0.085 -1.259 0.000) 1.262 15.887 ( 2.013 -1.192 0.000) 2.339 16.033 ( -1.112 1.478 0.000) 1.850 16.072 ( -0.465 0.303 0.000) 0.555 17.695 ( 0.087 -1.381 0.000) 1.384 17.720 ( 1.436 -1.887 0.000) 2.371 17.775 ( 2.687 -1.959 0.000) 3.325 17.785 ( 1.475 -2.427 0.000) 2.840 18.235 ( 1.696 1.806 0.000) 2.477 18.342 ( -0.664 0.051 0.000) 0.666 18.437 ( -0.948 0.727 0.000) 1.195 18.583 ( -3.922 -2.248 0.000) 4.521 18.665 ( 0.414 -2.285 0.000) 2.323 18.726 ( 0.416 -4.410 0.000) 4.429 18.789 ( -1.278 -2.921 0.000) 3.189 18.838 ( 2.671 -2.333 0.000) 3.546 18.889 ( -2.068 -5.537 0.000) 5.911 19.075 ( 8.109 -4.429 0.000) 9.239 19.322 ( -3.799 -2.350 0.000) 4.467 19.425 ( 3.108 -5.016 0.000) 5.901 19.550 ( 4.959 -4.836 0.000) 6.926 19.628 ( -0.416 -6.931 0.000) 6.943 19.710 ( -2.538 -5.546 0.000) 6.099 19.781 ( -3.139 -6.106 0.000) 6.865 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 5.425 15.330 0.000) 16.262 2.308 ( 1.783 8.731 0.000) 8.911 2.437 ( -1.741 16.060 0.000) 16.154 2.630 ( -12.864 10.164 0.000) 16.395 2.946 ( 3.344 12.660 0.000) 13.094 3.057 ( -3.402 14.949 0.000) 15.332 3.132 ( 9.202 4.398 0.000) 10.199 3.278 ( 2.896 3.541 0.000) 4.574 3.318 ( 2.517 10.014 0.000) 10.325 3.437 ( -11.546 6.842 0.000) 13.421 3.590 ( 5.523 6.757 0.000) 8.727 3.790 ( -11.213 0.284 0.000) 11.217 4.080 ( 0.517 2.778 0.000) 2.825 4.170 ( -6.580 -1.346 0.000) 6.716 4.400 ( 14.613 4.890 0.000) 15.410 4.603 ( 9.679 4.063 0.000) 10.498 4.731 ( -11.366 1.589 0.000) 11.477 4.837 ( -6.487 3.993 0.000) 7.617 5.027 ( 5.893 8.309 0.000) 10.187 5.129 ( 1.544 0.509 0.000) 1.626 5.208 ( 5.139 -1.715 0.000) 5.417 5.286 ( -3.912 7.084 0.000) 8.093 5.613 ( 5.987 2.055 0.000) 6.329 5.706 ( -3.635 2.905 0.000) 4.653 5.746 ( 4.547 7.644 0.000) 8.894 5.782 ( 2.409 7.387 0.000) 7.770 5.941 ( 5.435 -0.841 0.000) 5.499 6.059 ( -4.090 3.341 0.000) 5.281 6.197 ( 5.933 7.338 0.000) 9.436 6.271 ( -3.347 7.837 0.000) 8.522 6.582 ( 8.665 17.618 0.000) 19.633 6.660 ( 4.086 11.049 0.000) 11.780 6.771 ( 4.505 0.192 0.000) 4.510 6.853 ( -6.203 9.324 0.000) 11.199 6.858 ( -0.089 11.752 0.000) 11.753 6.979 ( -5.847 11.587 0.000) 12.979 7.139 ( 4.212 19.721 0.000) 20.166 7.212 ( -1.029 18.170 0.000) 18.199 7.397 ( -3.420 7.072 0.000) 7.856 7.471 ( -6.254 3.974 0.000) 7.410 7.623 ( 5.623 6.377 0.000) 8.502 7.666 ( -1.981 3.029 0.000) 3.620 7.802 ( 0.444 9.268 0.000) 9.279 7.828 ( -0.295 7.290 0.000) 7.296 7.877 ( -4.442 0.991 0.000) 4.551 7.957 ( -6.173 5.151 0.000) 8.040 8.050 ( 1.219 8.178 0.000) 8.268 8.086 ( -1.518 2.825 0.000) 3.207 8.395 ( -4.227 -3.609 0.000) 5.558 8.442 ( -9.249 2.356 0.000) 9.545 8.617 ( 7.314 2.018 0.000) 7.587 8.777 ( -8.649 3.702 0.000) 9.408 8.965 ( 5.555 4.379 0.000) 7.074 9.016 ( 0.315 3.203 0.000) 3.219 9.189 ( 1.108 2.205 0.000) 2.467 9.216 ( -0.751 2.270 0.000) 2.391 10.106 ( 2.090 8.571 0.000) 8.822 10.137 ( -1.044 8.691 0.000) 8.753 10.213 ( 3.188 9.537 0.000) 10.056 10.287 ( -3.203 8.678 0.000) 9.251 10.507 ( 5.319 7.860 0.000) 9.491 10.620 ( -4.298 6.871 0.000) 8.104 10.706 ( 7.816 7.121 0.000) 10.573 10.854 ( -6.113 4.528 0.000) 7.608 11.284 ( 3.269 -1.366 0.000) 3.543 11.319 ( 0.015 -2.516 0.000) 2.516 11.418 ( 1.631 -3.169 0.000) 3.564 11.547 ( -11.099 -1.219 0.000) 11.166 11.965 ( 3.514 -1.456 0.000) 3.804 12.015 ( -1.929 -1.643 0.000) 2.534 12.163 ( 2.185 -4.655 0.000) 5.142 12.187 ( -0.068 -5.038 0.000) 5.039 13.740 ( 1.243 4.420 0.000) 4.592 13.776 ( -1.973 4.492 0.000) 4.906 13.916 ( -5.048 2.698 0.000) 5.724 13.923 ( -4.899 2.623 0.000) 5.557 14.355 ( 4.496 1.917 0.000) 4.888 14.389 ( 1.236 1.830 0.000) 2.208 14.451 ( 4.322 1.694 0.000) 4.642 14.501 ( -0.680 1.408 0.000) 1.564 15.263 ( 3.573 0.443 0.000) 3.600 15.359 ( -5.637 0.677 0.000) 5.678 15.448 ( 6.715 -0.235 0.000) 6.719 15.598 ( -8.148 -1.335 0.000) 8.257 15.882 ( 2.577 -0.470 0.000) 2.620 15.915 ( 0.009 -0.330 0.000) 0.330 16.021 ( 0.293 0.462 0.000) 0.547 16.047 ( -1.817 -0.190 0.000) 1.827 17.702 ( 0.790 -0.282 0.000) 0.839 17.722 ( -0.919 -0.268 0.000) 0.957 17.814 ( 1.224 -2.117 0.000) 2.445 17.818 ( 1.048 -2.514 0.000) 2.724 18.282 ( 2.633 1.042 0.000) 2.832 18.322 ( -1.398 0.426 0.000) 1.461 18.463 ( 3.131 -2.565 0.000) 4.047 18.525 ( -2.691 -3.673 0.000) 4.553 18.678 ( 1.070 -1.987 0.000) 2.257 18.721 ( -1.975 -3.164 0.000) 3.730 18.743 ( -0.028 -2.037 0.000) 2.037 18.795 ( -3.843 -4.197 0.000) 5.690 18.967 ( 6.834 -2.527 0.000) 7.286 19.099 ( -5.778 -2.707 0.000) 6.381 19.379 ( 8.485 -7.000 0.000) 11.000 19.478 ( 0.468 -7.834 0.000) 7.848 19.600 ( -0.595 -5.848 0.000) 5.878 19.627 ( -4.622 -4.973 0.000) 6.789 19.651 ( 3.666 -5.509 0.000) 6.617 19.719 ( -3.200 -5.233 0.000) 6.134 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.000 12.912 0.000) 12.912 2.684 ( 0.000 21.048 0.000) 21.048 2.816 ( 0.000 0.332 0.000) 0.332 2.947 ( 0.000 11.482 0.000) 11.482 2.960 ( 0.000 0.094 0.000) 0.094 3.012 ( 0.000 3.712 0.000) 3.712 3.104 ( 0.000 5.594 0.000) 5.594 3.250 ( 0.000 1.578 0.000) 1.578 3.467 ( 0.000 8.228 0.000) 8.228 3.628 ( 0.000 8.730 0.000) 8.730 3.942 ( 0.000 0.685 0.000) 0.685 4.089 ( 0.000 1.492 0.000) 1.492 4.200 ( 0.000 11.814 0.000) 11.814 4.243 ( 0.000 4.119 0.000) 4.119 4.615 ( 0.000 6.484 0.000) 6.484 4.622 ( 0.000 3.802 0.000) 3.802 4.801 ( 0.000 -5.445 0.000) 5.445 4.832 ( 0.000 -4.374 0.000) 4.374 4.859 ( 0.000 4.533 0.000) 4.533 4.965 ( 0.000 -3.878 0.000) 3.878 5.046 ( 0.000 -3.687 0.000) 3.687 5.317 ( 0.000 -1.134 0.000) 1.134 5.564 ( 0.000 4.585 0.000) 4.585 5.614 ( 0.000 1.644 0.000) 1.644 5.654 ( 0.000 3.505 0.000) 3.505 5.824 ( 0.000 -1.776 0.000) 1.776 6.051 ( 0.000 4.765 0.000) 4.765 6.153 ( 0.000 -0.016 0.000) 0.016 6.231 ( 0.000 11.188 0.000) 11.188 6.331 ( 0.000 -4.407 0.000) 4.407 6.383 ( 0.000 -3.920 0.000) 3.920 6.493 ( 0.000 -8.675 0.000) 8.675 6.898 ( 0.000 1.270 0.000) 1.270 6.990 ( 0.000 3.499 0.000) 3.499 7.028 ( 0.000 21.529 0.000) 21.529 7.382 ( 0.000 7.839 0.000) 7.839 7.459 ( 0.000 10.232 0.000) 10.232 7.517 ( 0.000 3.516 0.000) 3.516 7.607 ( 0.000 12.077 0.000) 12.077 7.631 ( 0.000 9.342 0.000) 9.342 7.673 ( 0.000 7.763 0.000) 7.763 7.805 ( 0.000 -5.159 0.000) 5.159 7.920 ( 0.000 16.800 0.000) 16.800 8.101 ( 0.000 10.545 0.000) 10.545 8.220 ( 0.000 5.506 0.000) 5.506 8.261 ( 0.000 7.946 0.000) 7.946 8.320 ( 0.000 6.309 0.000) 6.309 8.343 ( 0.000 6.491 0.000) 6.491 8.622 ( 0.000 4.571 0.000) 4.571 8.650 ( 0.000 4.053 0.000) 4.053 8.759 ( 0.000 8.666 0.000) 8.666 8.850 ( 0.000 5.282 0.000) 5.282 9.023 ( 0.000 4.654 0.000) 4.654 9.163 ( 0.000 5.136 0.000) 5.136 9.241 ( 0.000 5.352 0.000) 5.352 9.297 ( 0.000 9.834 0.000) 9.834 10.200 ( 0.000 5.746 0.000) 5.746 10.305 ( 0.000 4.682 0.000) 4.682 10.327 ( 0.000 7.727 0.000) 7.727 10.381 ( 0.000 4.865 0.000) 4.865 10.581 ( 0.000 4.876 0.000) 4.876 10.596 ( 0.000 3.020 0.000) 3.020 10.843 ( 0.000 3.879 0.000) 3.879 11.021 ( 0.000 2.246 0.000) 2.246 11.185 ( 0.000 -2.539 0.000) 2.539 11.269 ( 0.000 -1.666 0.000) 1.666 11.341 ( 0.000 -4.216 0.000) 4.216 11.615 ( 0.000 -10.173 0.000) 10.173 11.844 ( 0.000 0.221 0.000) 0.221 11.962 ( 0.000 -2.147 0.000) 2.147 12.060 ( 0.000 -3.504 0.000) 3.504 12.187 ( 0.000 -4.244 0.000) 4.244 13.876 ( 0.000 3.444 0.000) 3.444 14.002 ( 0.000 -0.801 0.000) 0.801 14.024 ( 0.000 2.306 0.000) 2.306 14.122 ( 0.000 -0.062 0.000) 0.062 14.233 ( 0.000 1.179 0.000) 1.179 14.257 ( 0.000 1.243 0.000) 1.243 14.411 ( 0.000 3.170 0.000) 3.170 14.463 ( 0.000 1.238 0.000) 1.238 15.289 ( 0.000 0.892 0.000) 0.892 15.289 ( 0.000 0.914 0.000) 0.914 15.538 ( 0.000 2.000 0.000) 2.000 15.718 ( 0.000 -2.114 0.000) 2.114 15.819 ( 0.000 -1.269 0.000) 1.269 15.848 ( 0.000 -1.379 0.000) 1.379 16.080 ( 0.000 1.394 0.000) 1.394 16.092 ( 0.000 1.188 0.000) 1.188 17.642 ( 0.000 -1.594 0.000) 1.594 17.663 ( 0.000 -1.752 0.000) 1.752 17.714 ( 0.000 -1.432 0.000) 1.432 17.727 ( 0.000 -1.802 0.000) 1.802 18.276 ( 0.000 3.222 0.000) 3.222 18.346 ( 0.000 0.114 0.000) 0.114 18.516 ( 0.000 1.795 0.000) 1.795 18.565 ( 0.000 -4.590 0.000) 4.590 18.618 ( 0.000 -3.733 0.000) 3.733 18.659 ( 0.000 0.370 0.000) 0.370 18.693 ( 0.000 -3.249 0.000) 3.249 18.777 ( 0.000 -2.473 0.000) 2.473 18.809 ( 0.000 -3.741 0.000) 3.741 18.887 ( 0.000 -4.485 0.000) 4.485 19.326 ( 0.000 -2.408 0.000) 2.408 19.381 ( 0.000 -3.436 0.000) 3.436 19.382 ( 0.000 -1.065 0.000) 1.065 19.510 ( 0.000 -4.931 0.000) 4.931 19.636 ( 0.000 -3.800 0.000) 3.800 19.689 ( 0.000 -5.434 0.000) 5.434 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -3.585 8.537 0.000) 9.260 2.625 ( -5.501 19.404 0.000) 20.168 2.776 ( -3.824 5.279 0.000) 6.518 2.892 ( 2.301 11.371 0.000) 11.601 3.042 ( 5.861 5.272 0.000) 7.883 3.128 ( 5.417 1.010 0.000) 5.511 3.137 ( 1.468 3.628 0.000) 3.914 3.340 ( 3.715 4.536 0.000) 5.863 3.478 ( 3.811 2.493 0.000) 4.554 3.600 ( -0.429 12.748 0.000) 12.755 3.810 ( -11.319 4.688 0.000) 12.252 4.047 ( -9.547 6.525 0.000) 11.564 4.143 ( -1.251 2.754 0.000) 3.025 4.179 ( -2.176 -2.742 0.000) 3.500 4.493 ( -7.538 6.898 0.000) 10.218 4.624 ( 1.381 7.178 0.000) 7.310 4.832 ( -1.747 -4.570 0.000) 4.892 4.900 ( 5.386 -3.502 0.000) 6.425 4.936 ( 3.164 -4.560 0.000) 5.550 5.005 ( 4.933 -2.327 0.000) 5.454 5.089 ( 3.787 2.679 0.000) 4.639 5.403 ( 7.817 1.592 0.000) 7.978 5.569 ( 1.076 4.076 0.000) 4.216 5.663 ( 2.968 0.972 0.000) 3.123 5.677 ( 5.063 2.704 0.000) 5.740 5.870 ( 3.404 -1.870 0.000) 3.883 6.008 ( -4.140 7.057 0.000) 8.182 6.107 ( -3.421 -2.238 0.000) 4.088 6.293 ( 3.783 4.761 0.000) 6.081 6.362 ( 0.478 -3.354 0.000) 3.387 6.406 ( 5.757 -3.335 0.000) 6.654 6.574 ( 6.530 -6.597 0.000) 9.282 6.899 ( -1.340 4.531 0.000) 4.725 6.970 ( 4.441 10.832 0.000) 11.707 7.148 ( 7.176 13.228 0.000) 15.049 7.375 ( -0.540 10.028 0.000) 10.042 7.421 ( -4.584 14.173 0.000) 14.896 7.473 ( -3.543 9.220 0.000) 9.878 7.584 ( 3.859 1.930 0.000) 4.315 7.627 ( -3.310 1.837 0.000) 3.786 7.692 ( -5.230 2.262 0.000) 5.698 7.779 ( 2.422 7.452 0.000) 7.836 7.983 ( 4.238 15.406 0.000) 15.978 8.058 ( -5.880 7.581 0.000) 9.594 8.171 ( -6.769 5.714 0.000) 8.859 8.182 ( -4.125 10.269 0.000) 11.067 8.236 ( -7.118 7.136 0.000) 10.079 8.328 ( 1.257 13.469 0.000) 13.527 8.502 ( -10.256 0.971 0.000) 10.302 8.580 ( -1.672 4.916 0.000) 5.192 8.830 ( -11.891 5.163 0.000) 12.964 8.908 ( 9.149 6.470 0.000) 11.205 8.959 ( 6.167 7.305 0.000) 9.560 9.150 ( -7.586 7.746 0.000) 10.842 9.230 ( 2.500 3.192 0.000) 4.055 9.304 ( -0.606 5.889 0.000) 5.920 10.210 ( 1.184 5.416 0.000) 5.544 10.296 ( -0.919 4.936 0.000) 5.020 10.341 ( 1.156 6.693 0.000) 6.793 10.414 ( 2.593 4.912 0.000) 5.554 10.594 ( 0.355 4.236 0.000) 4.251 10.648 ( 6.228 4.382 0.000) 7.615 10.822 ( -2.140 4.027 0.000) 4.560 10.997 ( -2.477 2.399 0.000) 3.448 11.197 ( 1.299 -2.574 0.000) 2.883 11.265 ( -0.176 -2.385 0.000) 2.391 11.335 ( -0.450 -3.916 0.000) 3.942 11.592 ( -3.223 -9.042 0.000) 9.599 11.878 ( 3.157 -0.094 0.000) 3.158 11.982 ( 1.483 -2.258 0.000) 2.701 12.066 ( 0.434 -3.617 0.000) 3.643 12.134 ( -3.733 -2.900 0.000) 4.727 13.836 ( -2.412 3.412 0.000) 4.179 13.919 ( -4.549 2.562 0.000) 5.221 14.022 ( -2.366 -0.187 0.000) 2.374 14.081 ( -5.878 0.728 0.000) 5.923 14.281 ( 6.437 2.038 0.000) 6.752 14.354 ( 7.065 1.224 0.000) 7.171 14.416 ( 1.006 2.886 0.000) 3.056 14.499 ( 2.489 0.847 0.000) 2.629 15.253 ( -0.734 1.084 0.000) 1.309 15.345 ( 3.199 -0.203 0.000) 3.205 15.493 ( -4.471 1.820 0.000) 4.828 15.682 ( -4.234 -2.304 0.000) 4.820 15.830 ( 1.192 -0.704 0.000) 1.384 15.868 ( 2.569 -0.797 0.000) 2.690 16.063 ( -1.419 1.420 0.000) 2.007 16.083 ( -1.233 0.672 0.000) 1.404 17.667 ( 1.400 -1.296 0.000) 1.908 17.682 ( 2.277 -1.716 0.000) 2.851 17.734 ( 1.487 -1.670 0.000) 2.236 17.746 ( 1.942 -1.561 0.000) 2.492 18.282 ( 0.767 2.734 0.000) 2.839 18.343 ( -0.342 0.121 0.000) 0.363 18.451 ( -3.699 0.420 0.000) 3.722 18.517 ( -3.584 -3.770 0.000) 5.202 18.639 ( 0.015 -1.403 0.000) 1.403 18.650 ( 1.289 -1.699 0.000) 2.132 18.732 ( 0.519 -2.642 0.000) 2.692 18.772 ( -2.265 -3.669 0.000) 4.312 18.813 ( 3.305 -2.138 0.000) 3.936 18.981 ( 7.773 -4.809 0.000) 9.140 19.270 ( -6.016 -2.750 0.000) 6.615 19.337 ( 0.204 -3.731 0.000) 3.736 19.464 ( 3.785 -3.371 0.000) 5.069 19.511 ( 0.378 -4.481 0.000) 4.497 19.615 ( -2.280 -3.546 0.000) 4.215 19.670 ( -1.766 -4.653 0.000) 4.977 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 1.440 7.856 0.000) 7.987 2.511 ( -5.603 11.686 0.000) 12.960 2.758 ( 2.633 13.429 0.000) 13.684 2.864 ( -6.572 12.743 0.000) 14.338 3.160 ( 6.927 8.006 0.000) 10.587 3.190 ( 8.133 2.064 0.000) 8.390 3.248 ( 1.960 -0.186 0.000) 1.969 3.337 ( -3.296 5.725 0.000) 6.606 3.528 ( -1.770 8.835 0.000) 9.011 3.540 ( -8.879 5.176 0.000) 10.278 3.687 ( 6.074 0.247 0.000) 6.079 3.850 ( -9.047 7.026 0.000) 11.455 4.092 ( 0.458 -0.530 0.000) 0.700 4.211 ( -5.351 7.775 0.000) 9.438 4.458 ( 10.760 0.798 0.000) 10.790 4.674 ( -1.859 0.893 0.000) 2.062 4.751 ( -2.144 1.081 0.000) 2.401 4.856 ( -6.958 -0.997 0.000) 7.029 5.011 ( 4.128 -6.627 0.000) 7.807 5.056 ( 0.017 -5.896 0.000) 5.896 5.274 ( 11.758 6.139 0.000) 13.264 5.443 ( -4.531 6.480 0.000) 7.906 5.650 ( 5.146 2.115 0.000) 5.564 5.699 ( 0.258 0.196 0.000) 0.324 5.818 ( 6.842 -1.154 0.000) 6.938 5.914 ( -4.577 3.860 0.000) 5.987 5.935 ( 3.913 0.639 0.000) 3.965 6.032 ( -4.684 -2.561 0.000) 5.339 6.349 ( 2.027 2.828 0.000) 3.479 6.366 ( 0.054 2.394 0.000) 2.395 6.545 ( 7.157 -9.383 0.000) 11.801 6.643 ( -1.449 -10.068 0.000) 10.172 6.970 ( 9.086 14.533 0.000) 17.140 7.072 ( 3.609 11.374 0.000) 11.933 7.213 ( -2.393 9.176 0.000) 9.482 7.256 ( -7.957 15.863 0.000) 17.747 7.442 ( 3.604 6.448 0.000) 7.387 7.450 ( 0.024 5.662 0.000) 5.662 7.560 ( 3.679 11.210 0.000) 11.799 7.621 ( -0.661 -0.437 0.000) 0.792 7.679 ( 0.321 0.624 0.000) 0.702 7.762 ( -5.544 15.872 0.000) 16.813 7.922 ( -3.631 4.103 0.000) 5.479 7.960 ( -4.366 6.707 0.000) 8.003 8.025 ( -3.700 9.962 0.000) 10.627 8.092 ( -7.428 7.639 0.000) 10.655 8.228 ( 5.068 10.298 0.000) 11.478 8.318 ( -1.741 13.605 0.000) 13.716 8.406 ( 0.592 5.094 0.000) 5.128 8.533 ( -8.612 6.607 0.000) 10.854 8.696 ( 6.844 7.436 0.000) 10.106 8.913 ( -11.607 9.447 0.000) 14.966 9.077 ( 6.531 6.045 0.000) 8.899 9.109 ( 3.337 5.233 0.000) 6.206 9.238 ( -0.770 2.090 0.000) 2.228 9.264 ( -3.029 2.335 0.000) 3.824 10.243 ( 1.880 4.757 0.000) 5.115 10.274 ( -1.324 4.521 0.000) 4.711 10.374 ( 2.393 6.154 0.000) 6.603 10.424 ( -1.948 4.933 0.000) 5.303 10.642 ( 4.763 5.552 0.000) 7.315 10.735 ( -2.883 4.624 0.000) 5.449 10.811 ( 5.695 3.349 0.000) 6.607 10.925 ( -4.925 2.578 0.000) 5.559 11.235 ( 2.166 -3.163 0.000) 3.833 11.263 ( -0.549 -3.008 0.000) 3.057 11.350 ( 3.417 -3.596 0.000) 4.961 11.475 ( -7.973 -5.518 0.000) 9.696 11.943 ( 3.004 -0.693 0.000) 3.083 11.985 ( -1.331 -1.247 0.000) 1.824 12.079 ( 1.263 -3.574 0.000) 3.791 12.099 ( -0.648 -3.552 0.000) 3.611 13.823 ( 1.324 3.588 0.000) 3.824 13.862 ( -1.748 3.765 0.000) 4.151 13.951 ( -3.286 0.799 0.000) 3.382 13.967 ( -4.349 1.711 0.000) 4.674 14.398 ( 4.372 2.170 0.000) 4.881 14.434 ( 0.466 2.471 0.000) 2.515 14.479 ( 4.593 0.995 0.000) 4.700 14.526 ( -0.239 0.894 0.000) 0.925 15.278 ( 3.556 1.005 0.000) 3.695 15.378 ( -5.762 1.148 0.000) 5.875 15.430 ( 5.050 -1.393 0.000) 5.238 15.560 ( -7.474 -2.238 0.000) 7.802 15.881 ( 3.375 0.336 0.000) 3.392 15.913 ( 0.951 0.065 0.000) 0.953 16.034 ( -1.035 0.687 0.000) 1.242 16.048 ( -1.956 0.226 0.000) 1.969 17.694 ( 1.471 -0.450 0.000) 1.538 17.713 ( 0.056 -0.568 0.000) 0.570 17.764 ( 1.629 -2.233 0.000) 2.764 17.778 ( 0.572 -1.776 0.000) 1.866 18.308 ( 1.692 1.507 0.000) 2.266 18.333 ( -0.730 0.580 0.000) 0.933 18.419 ( 0.390 -1.777 0.000) 1.819 18.454 ( -2.758 -3.151 0.000) 4.187 18.646 ( 0.891 -1.235 0.000) 1.523 18.667 ( -0.061 -1.565 0.000) 1.567 18.713 ( -1.023 -1.273 0.000) 1.633 18.728 ( -1.728 -2.130 0.000) 2.743 18.917 ( 6.696 -2.231 0.000) 7.058 19.044 ( -4.476 -2.731 0.000) 5.243 19.229 ( 4.214 -7.408 0.000) 8.523 19.315 ( -2.928 -7.869 0.000) 8.397 19.509 ( 1.367 -3.013 0.000) 3.309 19.544 ( -0.186 -3.362 0.000) 3.367 19.567 ( 0.792 -2.701 0.000) 2.815 19.626 ( -2.872 -3.837 0.000) 4.793 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 0.000 4.167 0.000) 4.167 2.783 ( 0.000 -2.121 0.000) 2.121 2.896 ( 0.000 3.376 0.000) 3.376 3.023 ( 0.000 -0.239 0.000) 0.239 3.099 ( 0.000 6.242 0.000) 6.242 3.117 ( 0.000 1.079 0.000) 1.079 3.319 ( 0.000 14.328 0.000) 14.328 3.350 ( 0.000 9.508 0.000) 9.508 3.655 ( 0.000 10.347 0.000) 10.347 3.777 ( 0.000 5.681 0.000) 5.681 3.937 ( 0.000 -0.990 0.000) 0.990 4.063 ( 0.000 -4.459 0.000) 4.459 4.345 ( 0.000 6.549 0.000) 6.549 4.429 ( 0.000 10.132 0.000) 10.132 4.563 ( 0.000 -7.382 0.000) 7.382 4.586 ( 0.000 -8.263 0.000) 8.263 4.714 ( 0.000 -5.945 0.000) 5.945 4.764 ( 0.000 -1.329 0.000) 1.329 4.885 ( 0.000 -1.605 0.000) 1.605 4.904 ( 0.000 1.813 0.000) 1.813 5.117 ( 0.000 6.602 0.000) 6.602 5.293 ( 0.000 -1.608 0.000) 1.608 5.649 ( 0.000 4.202 0.000) 4.202 5.666 ( 0.000 3.343 0.000) 3.343 5.733 ( 0.000 4.051 0.000) 4.051 5.804 ( 0.000 -0.236 0.000) 0.236 6.042 ( 0.000 -3.609 0.000) 3.609 6.169 ( 0.000 -8.516 0.000) 8.516 6.211 ( 0.000 2.078 0.000) 2.078 6.212 ( 0.000 -6.320 0.000) 6.320 6.302 ( 0.000 -4.459 0.000) 4.459 6.453 ( 0.000 2.922 0.000) 2.922 6.862 ( 0.000 -1.282 0.000) 1.282 6.995 ( 0.000 -3.361 0.000) 3.361 7.454 ( 0.000 13.775 0.000) 13.775 7.486 ( 0.000 3.339 0.000) 3.339 7.570 ( 0.000 2.308 0.000) 2.308 7.583 ( 0.000 2.737 0.000) 2.737 7.664 ( 0.000 0.891 0.000) 0.891 7.682 ( 0.000 -1.461 0.000) 1.461 7.779 ( 0.000 4.889 0.000) 4.889 7.959 ( 0.000 10.097 0.000) 10.097 8.206 ( 0.000 9.179 0.000) 9.179 8.223 ( 0.000 1.917 0.000) 1.917 8.361 ( 0.000 6.135 0.000) 6.135 8.389 ( 0.000 3.640 0.000) 3.640 8.449 ( 0.000 4.003 0.000) 4.003 8.451 ( 0.000 5.420 0.000) 5.420 8.723 ( 0.000 5.575 0.000) 5.575 8.762 ( 0.000 5.694 0.000) 5.694 8.940 ( 0.000 8.321 0.000) 8.321 8.971 ( 0.000 6.191 0.000) 6.191 9.182 ( 0.000 6.949 0.000) 6.949 9.221 ( 0.000 0.501 0.000) 0.501 9.325 ( 0.000 5.005 0.000) 5.005 9.490 ( 0.000 6.150 0.000) 6.150 10.290 ( 0.000 3.265 0.000) 3.265 10.357 ( 0.000 0.630 0.000) 0.630 10.457 ( 0.000 4.832 0.000) 4.832 10.464 ( 0.000 3.433 0.000) 3.433 10.646 ( 0.000 1.774 0.000) 1.774 10.646 ( 0.000 2.040 0.000) 2.040 10.925 ( 0.000 5.213 0.000) 5.213 11.057 ( 0.000 1.419 0.000) 1.419 11.130 ( 0.000 -2.710 0.000) 2.710 11.238 ( 0.000 -1.035 0.000) 1.035 11.270 ( 0.000 -2.617 0.000) 2.617 11.377 ( 0.000 -12.964 0.000) 12.964 11.858 ( 0.000 1.131 0.000) 1.131 11.924 ( 0.000 -1.758 0.000) 1.758 12.013 ( 0.000 -0.881 0.000) 0.881 12.096 ( 0.000 -4.255 0.000) 4.255 13.931 ( 0.000 2.005 0.000) 2.005 13.984 ( 0.000 -0.953 0.000) 0.953 14.068 ( 0.000 1.938 0.000) 1.938 14.117 ( 0.000 -0.481 0.000) 0.481 14.257 ( 0.000 1.093 0.000) 1.093 14.275 ( 0.000 0.439 0.000) 0.439 14.464 ( 0.000 1.963 0.000) 1.963 14.484 ( 0.000 0.766 0.000) 0.766 15.303 ( 0.000 0.513 0.000) 0.513 15.305 ( 0.000 0.490 0.000) 0.490 15.582 ( 0.000 2.272 0.000) 2.272 15.675 ( 0.000 -2.165 0.000) 2.165 15.803 ( 0.000 -0.312 0.000) 0.312 15.821 ( 0.000 -1.116 0.000) 1.116 16.105 ( 0.000 0.986 0.000) 0.986 16.112 ( 0.000 0.675 0.000) 0.675 17.620 ( 0.000 -0.604 0.000) 0.604 17.633 ( 0.000 -1.152 0.000) 1.152 17.691 ( 0.000 -0.789 0.000) 0.789 17.697 ( 0.000 -1.080 0.000) 1.080 18.345 ( 0.000 3.070 0.000) 3.070 18.351 ( 0.000 0.545 0.000) 0.545 18.473 ( 0.000 -2.812 0.000) 2.812 18.543 ( 0.000 -3.602 0.000) 3.602 18.563 ( 0.000 1.585 0.000) 1.585 18.633 ( 0.000 -2.484 0.000) 2.484 18.676 ( 0.000 1.380 0.000) 1.380 18.735 ( 0.000 -1.573 0.000) 1.573 18.750 ( 0.000 -1.873 0.000) 1.873 18.802 ( 0.000 -3.808 0.000) 3.808 19.286 ( 0.000 -1.133 0.000) 1.133 19.320 ( 0.000 -2.469 0.000) 2.469 19.376 ( 0.000 0.240 0.000) 0.240 19.432 ( 0.000 -2.827 0.000) 2.827 19.579 ( 0.000 -1.776 0.000) 1.776 19.601 ( 0.000 -3.080 0.000) 3.080 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -3.603 5.978 0.000) 6.980 2.780 ( -1.409 -0.650 0.000) 1.552 2.965 ( -0.543 8.655 0.000) 8.672 3.054 ( 6.278 0.331 0.000) 6.287 3.093 ( 1.210 1.283 0.000) 1.764 3.141 ( 3.387 1.607 0.000) 3.749 3.293 ( 0.788 11.761 0.000) 11.787 3.419 ( 0.972 3.258 0.000) 3.400 3.577 ( -5.869 7.410 0.000) 9.453 3.818 ( -4.720 4.448 0.000) 6.486 3.909 ( -0.604 6.783 0.000) 6.810 4.054 ( 2.363 -2.311 0.000) 3.306 4.208 ( -5.251 0.993 0.000) 5.344 4.221 ( -13.019 5.079 0.000) 13.975 4.582 ( -0.966 -0.446 0.000) 1.064 4.638 ( 1.078 -2.327 0.000) 2.565 4.728 ( 2.118 -7.718 0.000) 8.003 4.777 ( 1.532 -2.026 0.000) 2.540 4.903 ( -1.182 1.159 0.000) 1.656 4.964 ( 3.256 -1.760 0.000) 3.701 5.207 ( 7.291 6.956 0.000) 10.077 5.404 ( 10.851 -1.476 0.000) 10.951 5.653 ( 0.290 3.769 0.000) 3.780 5.708 ( 3.055 2.478 0.000) 3.934 5.736 ( 1.008 2.839 0.000) 3.012 5.839 ( 4.086 0.466 0.000) 4.112 6.022 ( -1.659 -3.227 0.000) 3.628 6.086 ( -7.167 -2.866 0.000) 7.718 6.168 ( -0.328 -8.346 0.000) 8.352 6.288 ( 0.462 -10.929 0.000) 10.939 6.366 ( 8.124 4.900 0.000) 9.487 6.522 ( 5.350 1.249 0.000) 5.493 6.948 ( 8.093 0.752 0.000) 8.127 7.045 ( 5.395 -1.587 0.000) 5.623 7.390 ( -3.019 6.638 0.000) 7.292 7.513 ( -4.787 -1.646 0.000) 5.062 7.542 ( -1.152 4.288 0.000) 4.440 7.577 ( -1.617 1.484 0.000) 2.195 7.629 ( -0.205 3.032 0.000) 3.039 7.668 ( -2.320 0.454 0.000) 2.364 7.763 ( 1.162 10.301 0.000) 10.367 7.955 ( -0.082 6.567 0.000) 6.567 8.184 ( -5.242 4.809 0.000) 7.114 8.209 ( -3.245 3.224 0.000) 4.574 8.343 ( -1.576 9.743 0.000) 9.870 8.371 ( -2.971 6.471 0.000) 7.120 8.383 ( -1.588 7.287 0.000) 7.458 8.528 ( 7.621 4.547 0.000) 8.874 8.590 ( -9.636 7.261 0.000) 12.065 8.695 ( -6.349 5.269 0.000) 8.251 8.953 ( -2.721 7.413 0.000) 7.897 9.035 ( 6.352 5.599 0.000) 8.467 9.137 ( 0.263 6.910 0.000) 6.915 9.227 ( -2.989 -0.398 0.000) 3.016 9.309 ( -1.247 5.245 0.000) 5.391 9.443 ( -4.467 5.619 0.000) 7.178 10.292 ( 0.416 2.878 0.000) 2.908 10.347 ( -0.908 0.534 0.000) 1.053 10.455 ( 0.006 4.374 0.000) 4.374 10.490 ( 1.699 2.737 0.000) 3.222 10.667 ( 2.416 2.974 0.000) 3.832 10.704 ( 5.416 1.241 0.000) 5.556 10.904 ( -2.116 4.877 0.000) 5.316 11.037 ( -2.326 1.571 0.000) 2.807 11.140 ( 1.032 -2.756 0.000) 2.943 11.206 ( -1.732 -3.549 0.000) 3.949 11.272 ( 0.022 -2.076 0.000) 2.076 11.389 ( -0.164 -9.981 0.000) 9.982 11.886 ( 2.571 0.838 0.000) 2.705 11.944 ( 1.734 -1.620 0.000) 2.372 12.014 ( 0.084 -1.289 0.000) 1.292 12.069 ( -2.132 -3.157 0.000) 3.810 13.892 ( -2.215 2.161 0.000) 3.094 13.944 ( -2.592 -0.100 0.000) 2.594 14.035 ( -3.060 1.537 0.000) 3.425 14.086 ( -4.375 -0.273 0.000) 4.383 14.321 ( 6.515 1.827 0.000) 6.766 14.365 ( 7.105 -0.062 0.000) 7.106 14.470 ( 0.745 2.258 0.000) 2.377 14.511 ( 1.984 0.197 0.000) 1.994 15.278 ( -0.561 1.338 0.000) 1.451 15.331 ( 1.580 -1.022 0.000) 1.882 15.534 ( -4.798 2.223 0.000) 5.288 15.633 ( -4.608 -2.464 0.000) 5.225 15.825 ( 2.457 0.236 0.000) 2.468 15.852 ( 3.134 -0.804 0.000) 3.235 16.088 ( -1.693 0.908 0.000) 1.921 16.095 ( -1.724 0.471 0.000) 1.787 17.646 ( 2.124 -0.709 0.000) 2.240 17.653 ( 2.128 -1.049 0.000) 2.372 17.710 ( 1.455 -0.697 0.000) 1.614 17.719 ( 1.974 -1.045 0.000) 2.233 18.339 ( -0.400 2.402 0.000) 2.435 18.350 ( -0.200 0.747 0.000) 0.774 18.437 ( -3.130 -2.119 0.000) 3.780 18.456 ( -4.153 -1.574 0.000) 4.441 18.610 ( 1.676 -0.317 0.000) 1.706 18.648 ( 1.112 -0.412 0.000) 1.186 18.689 ( 0.546 -0.985 0.000) 1.127 18.716 ( -1.415 -1.715 0.000) 2.223 18.782 ( 3.767 -0.718 0.000) 3.835 18.882 ( 6.330 -4.742 0.000) 7.909 19.224 ( -6.304 -1.347 0.000) 6.446 19.267 ( -3.876 -3.032 0.000) 4.921 19.419 ( 3.011 -1.058 0.000) 3.191 19.444 ( 1.427 -2.232 0.000) 2.649 19.566 ( -1.321 -1.326 0.000) 1.871 19.594 ( -0.859 -2.711 0.000) 2.844 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 3.126 7.255 0.000) 7.900 2.694 ( -6.451 5.333 0.000) 8.370 2.982 ( 3.884 8.773 0.000) 9.594 3.078 ( -3.983 5.392 0.000) 6.704 3.189 ( 5.271 -0.812 0.000) 5.333 3.245 ( 3.517 1.063 0.000) 3.674 3.270 ( 1.619 3.581 0.000) 3.930 3.412 ( -2.943 1.671 0.000) 3.385 3.566 ( 0.977 0.633 0.000) 1.164 3.634 ( -3.122 -2.920 0.000) 4.275 3.784 ( -6.904 10.665 0.000) 12.704 3.907 ( -13.685 0.122 0.000) 13.686 4.238 ( 11.202 11.448 0.000) 16.017 4.369 ( 9.445 3.317 0.000) 10.011 4.500 ( -4.406 6.675 0.000) 7.998 4.612 ( -4.859 -4.144 0.000) 6.386 4.760 ( 2.427 -4.172 0.000) 4.826 4.804 ( -0.296 -2.077 0.000) 2.098 4.887 ( 0.923 -4.333 0.000) 4.430 4.949 ( -3.879 -4.206 0.000) 5.722 5.383 ( 9.799 4.848 0.000) 10.933 5.523 ( -2.205 0.983 0.000) 2.414 5.689 ( 4.101 1.574 0.000) 4.393 5.743 ( -0.862 3.613 0.000) 3.715 5.784 ( 5.064 -1.032 0.000) 5.168 5.915 ( -7.583 -1.355 0.000) 7.703 5.947 ( 5.146 0.965 0.000) 5.236 6.017 ( -1.592 -0.576 0.000) 1.693 6.188 ( 3.088 -12.038 0.000) 12.428 6.258 ( -3.001 -12.075 0.000) 12.442 6.527 ( 6.602 4.890 0.000) 8.216 6.589 ( 0.447 2.965 0.000) 2.998 7.142 ( 10.967 2.725 0.000) 11.301 7.195 ( 9.033 0.579 0.000) 9.052 7.318 ( -5.768 2.400 0.000) 6.247 7.366 ( -8.774 -0.277 0.000) 8.779 7.514 ( -0.519 1.619 0.000) 1.701 7.529 ( -1.847 0.445 0.000) 1.900 7.619 ( -0.630 2.043 0.000) 2.138 7.639 ( -1.355 0.352 0.000) 1.400 7.860 ( 7.535 10.686 0.000) 13.076 7.969 ( 2.249 3.156 0.000) 3.875 8.028 ( -9.480 5.512 0.000) 10.966 8.073 ( -8.265 3.420 0.000) 8.945 8.233 ( -1.642 10.289 0.000) 10.419 8.319 ( -7.872 13.610 0.000) 15.723 8.423 ( 3.628 6.814 0.000) 7.720 8.537 ( 2.717 8.411 0.000) 8.839 8.555 ( -1.675 6.851 0.000) 7.053 8.674 ( -0.177 5.446 0.000) 5.449 8.896 ( 3.354 9.998 0.000) 10.546 9.071 ( -9.381 3.759 0.000) 10.106 9.187 ( 5.386 2.711 0.000) 6.030 9.206 ( 5.718 4.577 0.000) 7.324 9.270 ( -3.085 2.301 0.000) 3.849 9.335 ( -6.448 4.094 0.000) 7.638 10.308 ( 1.084 2.037 0.000) 2.307 10.328 ( -0.964 1.204 0.000) 1.542 10.465 ( 1.160 2.928 0.000) 3.149 10.494 ( -1.268 1.936 0.000) 2.315 10.741 ( 4.744 4.115 0.000) 6.279 10.809 ( 1.366 2.153 0.000) 2.550 10.863 ( 1.376 2.787 0.000) 3.109 10.961 ( -5.215 0.827 0.000) 5.280 11.170 ( 1.908 -2.788 0.000) 3.378 11.196 ( -0.256 -3.505 0.000) 3.514 11.278 ( 1.623 -2.837 0.000) 3.269 11.345 ( -3.994 -6.296 0.000) 7.456 11.939 ( 2.442 0.294 0.000) 2.459 11.967 ( -0.113 -0.579 0.000) 0.590 12.019 ( 0.764 -2.133 0.000) 2.266 12.038 ( -1.046 -2.426 0.000) 2.642 13.884 ( 1.603 2.348 0.000) 2.844 13.921 ( 0.047 1.575 0.000) 1.576 13.961 ( -3.550 0.628 0.000) 3.605 13.989 ( -4.511 0.428 0.000) 4.532 14.440 ( 4.526 1.880 0.000) 4.900 14.479 ( 0.944 1.203 0.000) 1.529 14.492 ( 3.664 0.889 0.000) 3.770 14.535 ( -0.083 -0.061 0.000) 0.103 15.304 ( 3.673 1.595 0.000) 4.004 15.383 ( 3.123 -1.655 0.000) 3.535 15.419 ( -5.261 1.395 0.000) 5.443 15.510 ( -7.232 -2.553 0.000) 7.669 15.893 ( 3.624 0.732 0.000) 3.698 15.913 ( 2.134 -0.135 0.000) 2.138 16.047 ( -1.932 0.516 0.000) 2.000 16.053 ( -2.178 0.204 0.000) 2.187 17.686 ( 1.944 -0.229 0.000) 1.958 17.699 ( 1.439 -0.721 0.000) 1.609 17.731 ( 0.880 -0.852 0.000) 1.225 17.746 ( 0.189 -1.289 0.000) 1.303 18.338 ( 0.363 1.159 0.000) 1.214 18.346 ( -0.200 0.867 0.000) 0.890 18.387 ( -1.079 -1.448 0.000) 1.806 18.401 ( -1.956 -1.947 0.000) 2.760 18.635 ( 1.256 0.399 0.000) 1.318 18.658 ( -0.679 0.466 0.000) 0.824 18.688 ( 0.387 -1.121 0.000) 1.186 18.701 ( -0.565 -0.944 0.000) 1.100 18.886 ( 6.685 -0.490 0.000) 6.703 18.984 ( 1.081 -3.424 0.000) 3.590 19.103 ( -2.839 -3.971 0.000) 4.881 19.170 ( -5.694 -5.910 0.000) 8.206 19.471 ( 2.445 -0.873 0.000) 2.597 19.492 ( 2.457 -1.824 0.000) 3.060 19.533 ( -1.402 -0.793 0.000) 1.611 19.563 ( -2.364 -2.278 0.000) 3.283 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 0.000 -2.611 0.000) 2.611 2.734 ( 0.000 2.613 0.000) 2.613 2.970 ( 0.000 -3.846 0.000) 3.846 2.970 ( 0.000 3.847 0.000) 3.847 3.137 ( 0.000 -0.528 0.000) 0.528 3.137 ( 0.000 0.529 0.000) 0.529 3.487 ( 0.000 -0.167 0.000) 0.167 3.487 ( 0.000 0.167 0.000) 0.167 3.839 ( 0.000 -2.549 0.000) 2.549 3.839 ( 0.000 2.554 0.000) 2.554 3.936 ( 0.000 -4.649 0.000) 4.649 3.936 ( 0.000 4.648 0.000) 4.648 4.447 ( 0.000 -3.015 0.000) 3.015 4.447 ( 0.000 3.016 0.000) 3.016 4.531 ( 0.000 -4.871 0.000) 4.871 4.531 ( 0.000 4.872 0.000) 4.872 4.654 ( 0.000 -5.989 0.000) 5.989 4.654 ( 0.000 5.991 0.000) 5.991 4.910 ( 0.000 -1.416 0.000) 1.416 4.910 ( 0.000 1.417 0.000) 1.417 5.236 ( 0.000 -4.340 0.000) 4.340 5.236 ( 0.000 4.341 0.000) 4.341 5.713 ( 0.000 -0.344 0.000) 0.344 5.713 ( 0.000 0.345 0.000) 0.345 5.795 ( 0.000 -1.476 0.000) 1.476 5.795 ( 0.000 1.476 0.000) 1.476 6.022 ( 0.000 -3.453 0.000) 3.453 6.022 ( 0.000 3.455 0.000) 3.455 6.140 ( 0.000 -0.666 0.000) 0.666 6.140 ( 0.000 0.668 0.000) 0.668 6.409 ( 0.000 -6.439 0.000) 6.439 6.409 ( 0.000 6.439 0.000) 6.439 6.897 ( 0.000 -4.581 0.000) 4.581 6.897 ( 0.000 4.586 0.000) 4.586 7.537 ( 0.000 -1.253 0.000) 1.253 7.537 ( 0.000 1.255 0.000) 1.255 7.603 ( 0.000 -0.301 0.000) 0.301 7.603 ( 0.000 0.302 0.000) 0.302 7.670 ( 0.000 -0.048 0.000) 0.048 7.670 ( 0.000 0.050 0.000) 0.050 7.965 ( 0.000 -8.426 0.000) 8.426 7.965 ( 0.000 8.429 0.000) 8.429 8.271 ( 0.000 -1.966 0.000) 1.966 8.271 ( 0.000 1.971 0.000) 1.971 8.420 ( 0.000 -0.132 0.000) 0.132 8.420 ( 0.000 0.134 0.000) 0.134 8.502 ( 0.000 -0.511 0.000) 0.511 8.502 ( 0.000 0.514 0.000) 0.514 8.812 ( 0.000 -1.650 0.000) 1.650 8.812 ( 0.000 1.654 0.000) 1.654 9.053 ( 0.000 -0.687 0.000) 0.687 9.053 ( 0.000 0.691 0.000) 0.691 9.213 ( 0.000 -0.170 0.000) 0.170 9.213 ( 0.000 0.170 0.000) 0.170 9.481 ( 0.000 -6.457 0.000) 6.457 9.481 ( 0.000 6.461 0.000) 6.461 10.341 ( 0.000 -1.793 0.000) 1.793 10.341 ( 0.000 1.796 0.000) 1.796 10.509 ( 0.000 -0.119 0.000) 0.119 10.509 ( 0.000 0.122 0.000) 0.122 10.665 ( 0.000 -0.261 0.000) 0.261 10.665 ( 0.000 0.265 0.000) 0.265 11.074 ( 0.000 -4.328 0.000) 4.328 11.074 ( 0.000 4.341 0.000) 4.341 11.116 ( 0.000 -9.694 0.000) 9.694 11.116 ( 0.000 9.687 0.000) 9.687 11.235 ( 0.000 -0.804 0.000) 0.804 11.235 ( 0.000 0.805 0.000) 0.805 11.888 ( 0.000 -1.725 0.000) 1.725 11.888 ( 0.000 1.726 0.000) 1.726 12.027 ( 0.000 -2.213 0.000) 2.213 12.027 ( 0.000 2.214 0.000) 2.214 13.962 ( 0.000 -1.220 0.000) 1.220 13.962 ( 0.000 1.221 0.000) 1.221 14.100 ( 0.000 -1.208 0.000) 1.208 14.100 ( 0.000 1.208 0.000) 1.208 14.274 ( 0.000 -0.484 0.000) 0.484 14.274 ( 0.000 0.484 0.000) 0.484 14.489 ( 0.000 -0.435 0.000) 0.435 14.489 ( 0.000 0.435 0.000) 0.435 15.309 ( 0.000 -0.068 0.000) 0.068 15.309 ( 0.000 0.068 0.000) 0.068 15.629 ( 0.000 -2.317 0.000) 2.317 15.629 ( 0.000 2.317 0.000) 2.317 15.805 ( 0.000 -0.473 0.000) 0.473 15.805 ( 0.000 0.474 0.000) 0.474 16.117 ( 0.000 -0.174 0.000) 0.174 16.117 ( 0.000 0.175 0.000) 0.175 17.618 ( 0.000 -0.358 0.000) 0.358 17.618 ( 0.000 0.359 0.000) 0.359 17.684 ( 0.000 -0.143 0.000) 0.143 17.684 ( 0.000 0.143 0.000) 0.143 18.368 ( 0.000 -0.756 0.000) 0.756 18.368 ( 0.000 0.756 0.000) 0.756 18.474 ( 0.000 -2.723 0.000) 2.723 18.474 ( 0.000 2.723 0.000) 2.723 18.593 ( 0.000 -1.566 0.000) 1.566 18.593 ( 0.000 1.566 0.000) 1.566 18.710 ( 0.000 -1.373 0.000) 1.373 18.710 ( 0.000 1.373 0.000) 1.373 18.741 ( 0.000 -1.500 0.000) 1.500 18.741 ( 0.000 1.500 0.000) 1.500 19.284 ( 0.000 -0.914 0.000) 0.914 19.284 ( 0.000 0.914 0.000) 0.914 19.391 ( 0.000 -1.297 0.000) 1.297 19.391 ( 0.000 1.297 0.000) 1.297 19.565 ( 0.000 -0.505 0.000) 0.505 19.565 ( 0.000 0.505 0.000) 0.505 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -1.056 -3.191 0.000) 3.362 2.716 ( -1.056 3.193 0.000) 3.363 3.022 ( 4.368 -1.460 0.000) 4.605 3.022 ( 4.368 1.461 0.000) 4.606 3.156 ( 1.797 -0.500 0.000) 1.865 3.156 ( 1.797 0.502 0.000) 1.866 3.445 ( -2.051 -1.540 0.000) 2.564 3.445 ( -2.051 1.541 0.000) 2.565 3.747 ( -13.228 -6.423 0.000) 14.705 3.747 ( -13.228 6.424 0.000) 14.705 4.046 ( 15.351 -2.313 0.000) 15.525 4.046 ( 15.351 2.315 0.000) 15.525 4.219 ( -16.315 -2.346 0.000) 16.483 4.219 ( -16.316 2.347 0.000) 16.484 4.582 ( 2.590 -2.836 0.000) 3.841 4.582 ( 2.589 2.837 0.000) 3.841 4.701 ( 2.436 -4.888 0.000) 5.461 4.701 ( 2.435 4.889 0.000) 5.462 4.940 ( -0.432 -0.852 0.000) 0.956 4.940 ( -0.432 0.853 0.000) 0.956 5.337 ( 8.900 -3.231 0.000) 9.469 5.337 ( 8.900 3.233 0.000) 9.469 5.707 ( -0.386 -0.204 0.000) 0.436 5.707 ( -0.385 0.204 0.000) 0.436 5.833 ( 4.178 -2.018 0.000) 4.640 5.833 ( 4.178 2.018 0.000) 4.640 5.994 ( -2.499 -0.122 0.000) 2.502 5.994 ( -2.499 0.123 0.000) 2.502 6.114 ( -2.492 -0.811 0.000) 2.620 6.114 ( -2.492 0.812 0.000) 2.621 6.489 ( 7.019 -2.116 0.000) 7.331 6.489 ( 7.019 2.117 0.000) 7.331 6.979 ( 7.853 -2.510 0.000) 8.244 6.979 ( 7.852 2.514 0.000) 8.245 7.471 ( -5.539 -1.606 0.000) 5.767 7.471 ( -5.539 1.608 0.000) 5.768 7.579 ( -2.426 -0.630 0.000) 2.507 7.579 ( -2.426 0.631 0.000) 2.507 7.661 ( -1.003 -0.253 0.000) 1.035 7.661 ( -1.003 0.255 0.000) 1.035 7.969 ( 0.297 -5.969 0.000) 5.976 7.969 ( 0.299 5.972 0.000) 5.980 8.232 ( -3.613 -0.045 0.000) 3.614 8.232 ( -3.613 0.048 0.000) 3.614 8.427 ( -5.444 -0.165 0.000) 5.446 8.427 ( -5.444 0.168 0.000) 5.446 8.522 ( 8.328 -4.170 0.000) 9.314 8.522 ( 8.328 4.173 0.000) 9.315 8.726 ( -7.633 -3.260 0.000) 8.300 8.727 ( -7.633 3.265 0.000) 8.302 9.081 ( 1.845 -3.005 0.000) 3.527 9.081 ( 1.844 3.010 0.000) 3.530 9.194 ( -1.328 -1.580 0.000) 2.065 9.194 ( -1.328 1.581 0.000) 2.065 9.444 ( -3.666 -5.329 0.000) 6.469 9.444 ( -3.666 5.334 0.000) 6.472 10.335 ( -0.342 -0.502 0.000) 0.607 10.335 ( -0.341 0.505 0.000) 0.609 10.514 ( -0.062 -0.250 0.000) 0.258 10.514 ( -0.062 0.253 0.000) 0.260 10.706 ( 4.199 -0.454 0.000) 4.224 10.706 ( 4.198 0.457 0.000) 4.223 11.034 ( -4.356 -4.957 0.000) 6.599 11.034 ( -4.356 4.966 0.000) 6.605 11.110 ( 0.905 -1.929 0.000) 2.131 11.110 ( 0.907 1.926 0.000) 2.129 11.262 ( 1.234 -0.984 0.000) 1.578 11.262 ( 1.234 0.983 0.000) 1.578 11.911 ( 2.117 -0.840 0.000) 2.277 11.911 ( 2.117 0.842 0.000) 2.278 12.018 ( -0.782 -1.490 0.000) 1.683 12.018 ( -0.782 1.491 0.000) 1.684 13.927 ( -2.047 -1.306 0.000) 2.429 13.927 ( -2.047 1.307 0.000) 2.429 14.069 ( -3.570 -1.395 0.000) 3.833 14.069 ( -3.570 1.396 0.000) 3.833 14.352 ( 6.747 -0.711 0.000) 6.784 14.352 ( 6.747 0.711 0.000) 6.784 14.504 ( 1.278 -0.592 0.000) 1.409 14.504 ( 1.278 0.592 0.000) 1.409 15.306 ( 0.215 -1.314 0.000) 1.332 15.306 ( 0.215 1.314 0.000) 1.332 15.583 ( -4.859 -2.350 0.000) 5.398 15.583 ( -4.859 2.350 0.000) 5.398 15.836 ( 3.158 -0.297 0.000) 3.172 15.836 ( 3.158 0.297 0.000) 3.172 16.099 ( -1.846 -0.021 0.000) 1.846 16.099 ( -1.846 0.022 0.000) 1.846 17.640 ( 2.155 -0.176 0.000) 2.162 17.640 ( 2.155 0.176 0.000) 2.162 17.706 ( 1.756 -0.186 0.000) 1.765 17.706 ( 1.756 0.186 0.000) 1.765 18.363 ( -0.437 -0.540 0.000) 0.695 18.363 ( -0.437 0.540 0.000) 0.695 18.424 ( -3.517 -0.820 0.000) 3.612 18.424 ( -3.517 0.821 0.000) 3.612 18.623 ( 2.059 -1.083 0.000) 2.327 18.623 ( 2.059 1.083 0.000) 2.327 18.694 ( -0.718 -0.266 0.000) 0.765 18.694 ( -0.718 0.266 0.000) 0.766 18.801 ( 4.802 -2.641 0.000) 5.480 18.801 ( 4.802 2.641 0.000) 5.481 19.222 ( -5.843 -1.011 0.000) 5.930 19.222 ( -5.843 1.012 0.000) 5.930 19.415 ( 2.267 -0.461 0.000) 2.313 19.415 ( 2.267 0.461 0.000) 2.313 19.560 ( -0.736 -0.697 0.000) 1.014 19.560 ( -0.736 0.697 0.000) 1.014 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 0.245 -1.265 0.000) 1.289 2.710 ( 0.245 1.266 0.000) 1.290 3.091 ( 1.696 -1.140 0.000) 2.043 3.091 ( 1.696 1.141 0.000) 2.044 3.217 ( 5.198 -2.878 0.000) 5.941 3.217 ( 5.198 2.879 0.000) 5.942 3.379 ( -7.221 -3.149 0.000) 7.878 3.379 ( -7.221 3.150 0.000) 7.878 3.582 ( -0.458 -0.251 0.000) 0.523 3.582 ( -0.458 0.253 0.000) 0.524 3.916 ( -11.025 -1.226 0.000) 11.093 3.916 ( -11.025 1.228 0.000) 11.093 4.375 ( 14.053 -1.269 0.000) 14.110 4.375 ( 14.053 1.270 0.000) 14.110 4.591 ( -2.373 -0.446 0.000) 2.415 4.591 ( -2.373 0.448 0.000) 2.415 4.734 ( 2.618 -2.618 0.000) 3.702 4.734 ( 2.618 2.619 0.000) 3.703 4.867 ( -6.402 -3.178 0.000) 7.147 4.867 ( -6.402 3.178 0.000) 7.147 5.480 ( 4.740 -0.709 0.000) 4.792 5.480 ( 4.740 0.710 0.000) 4.793 5.730 ( 1.447 -0.328 0.000) 1.484 5.730 ( 1.447 0.329 0.000) 1.484 5.877 ( -0.661 -2.243 0.000) 2.339 5.877 ( -0.662 2.244 0.000) 2.339 5.969 ( 0.623 -1.952 0.000) 2.049 5.969 ( 0.622 1.953 0.000) 2.050 6.071 ( -1.049 -0.626 0.000) 1.221 6.071 ( -1.049 0.627 0.000) 1.222 6.612 ( 4.017 -0.243 0.000) 4.024 6.612 ( 4.017 0.244 0.000) 4.024 7.164 ( 10.159 -0.319 0.000) 10.164 7.164 ( 10.159 0.322 0.000) 10.164 7.350 ( -7.200 -0.253 0.000) 7.204 7.350 ( -7.200 0.255 0.000) 7.204 7.531 ( -1.571 -0.120 0.000) 1.576 7.531 ( -1.571 0.122 0.000) 1.576 7.640 ( -0.902 -0.016 0.000) 0.902 7.640 ( -0.902 0.019 0.000) 0.903 7.985 ( 2.258 -2.018 0.000) 3.028 7.985 ( 2.259 2.020 0.000) 3.030 8.094 ( -8.784 -0.541 0.000) 8.800 8.094 ( -8.784 0.543 0.000) 8.800 8.413 ( 4.096 -5.156 0.000) 6.585 8.413 ( 4.096 5.162 0.000) 6.589 8.553 ( -8.067 -5.193 0.000) 9.594 8.553 ( -8.067 5.199 0.000) 9.597 8.698 ( 6.806 -2.724 0.000) 7.331 8.698 ( 6.807 2.727 0.000) 7.333 9.049 ( -4.126 -2.345 0.000) 4.746 9.049 ( -4.125 2.348 0.000) 4.746 9.229 ( 4.574 -0.257 0.000) 4.581 9.229 ( 4.574 0.260 0.000) 4.581 9.353 ( -5.194 -2.887 0.000) 5.943 9.353 ( -5.194 2.891 0.000) 5.944 10.334 ( 0.177 -0.043 0.000) 0.182 10.334 ( 0.177 0.046 0.000) 0.183 10.503 ( -0.638 -0.141 0.000) 0.654 10.503 ( -0.638 0.144 0.000) 0.654 10.806 ( 5.211 -1.226 0.000) 5.353 10.806 ( 5.210 1.229 0.000) 5.353 10.940 ( -4.770 -2.844 0.000) 5.554 10.940 ( -4.769 2.849 0.000) 5.555 11.141 ( 1.725 -0.117 0.000) 1.729 11.141 ( 1.725 0.117 0.000) 1.729 11.260 ( -1.000 -0.327 0.000) 1.052 11.260 ( -0.999 0.327 0.000) 1.052 11.953 ( 1.685 -0.162 0.000) 1.692 11.953 ( 1.685 0.163 0.000) 1.692 12.004 ( -0.634 -0.235 0.000) 0.676 12.004 ( -0.634 0.236 0.000) 0.676 13.920 ( 1.553 -1.106 0.000) 1.906 13.920 ( 1.553 1.107 0.000) 1.907 13.983 ( -4.489 -0.911 0.000) 4.580 13.983 ( -4.489 0.911 0.000) 4.580 14.472 ( 4.368 -0.367 0.000) 4.383 14.472 ( 4.368 0.367 0.000) 4.383 14.522 ( 0.132 -0.473 0.000) 0.491 14.522 ( 0.132 0.474 0.000) 0.491 15.342 ( 3.918 -1.887 0.000) 4.349 15.342 ( 3.918 1.887 0.000) 4.349 15.459 ( -6.974 -2.322 0.000) 7.350 15.460 ( -6.974 2.322 0.000) 7.350 15.906 ( 3.149 -0.114 0.000) 3.151 15.906 ( 3.149 0.115 0.000) 3.151 16.054 ( -2.269 -0.007 0.000) 2.269 16.054 ( -2.269 0.007 0.000) 2.269 17.687 ( 2.145 -0.162 0.000) 2.151 17.687 ( 2.145 0.163 0.000) 2.151 17.728 ( 0.170 -0.155 0.000) 0.230 17.728 ( 0.170 0.155 0.000) 0.230 18.357 ( 0.026 -0.466 0.000) 0.466 18.357 ( 0.026 0.466 0.000) 0.466 18.372 ( -1.687 -0.502 0.000) 1.760 18.372 ( -1.687 0.502 0.000) 1.760 18.658 ( 1.480 -0.773 0.000) 1.670 18.658 ( 1.480 0.773 0.000) 1.670 18.681 ( -0.781 -0.862 0.000) 1.163 18.681 ( -0.781 0.863 0.000) 1.163 18.910 ( 6.057 -2.694 0.000) 6.629 18.910 ( 6.057 2.695 0.000) 6.629 19.086 ( -7.156 -1.981 0.000) 7.426 19.086 ( -7.156 1.981 0.000) 7.426 19.468 ( 2.767 -0.484 0.000) 2.809 19.468 ( 2.767 0.484 0.000) 2.809 19.532 ( -1.938 -0.721 0.000) 2.068 19.532 ( -1.938 0.721 0.000) 2.068 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 0.000 0.000 20.809) 20.809 0.747 ( 0.000 0.000 37.218) 37.218 1.144 ( 0.000 0.000 -12.941) 12.941 1.294 ( 0.000 0.000 62.153) 62.153 2.108 ( 0.000 0.000 -25.372) 25.372 2.703 ( 0.000 0.000 4.343) 4.343 2.777 ( 0.000 0.000 -6.712) 6.712 2.803 ( 0.000 0.000 3.303) 3.303 2.838 ( 0.000 0.000 -0.482) 0.482 3.036 ( 0.000 0.000 5.114) 5.114 3.053 ( 0.000 0.000 4.623) 4.623 3.214 ( 0.000 0.000 -2.690) 2.690 3.307 ( 0.000 0.000 -8.966) 8.966 3.580 ( 0.000 0.000 -25.732) 25.732 3.840 ( 0.000 0.000 3.987) 3.987 3.841 ( 0.000 0.000 5.146) 5.146 3.886 ( 0.000 0.000 2.069) 2.069 3.990 ( 0.000 0.000 -12.153) 12.153 4.172 ( 0.000 0.000 25.470) 25.470 4.502 ( 0.000 0.000 -3.743) 3.743 4.509 ( 0.000 0.000 -5.262) 5.262 5.068 ( 0.000 0.000 1.501) 1.501 5.107 ( 0.000 0.000 -0.527) 0.527 5.110 ( 0.000 0.000 -12.622) 12.622 5.361 ( 0.000 0.000 -0.565) 0.565 5.377 ( 0.000 0.000 5.668) 5.668 5.410 ( 0.000 0.000 -4.371) 4.371 5.618 ( 0.000 0.000 -6.014) 6.014 5.705 ( 0.000 0.000 8.560) 8.560 5.725 ( 0.000 0.000 6.363) 6.363 6.107 ( 0.000 0.000 -8.639) 8.639 6.135 ( 0.000 0.000 -9.399) 9.399 6.159 ( 0.000 0.000 11.855) 11.855 6.347 ( 0.000 0.000 3.630) 3.630 6.842 ( 0.000 0.000 -3.063) 3.063 6.877 ( 0.000 0.000 2.178) 2.178 7.037 ( 0.000 0.000 0.403) 0.403 7.163 ( 0.000 0.000 -6.531) 6.531 7.264 ( 0.000 0.000 0.861) 0.861 7.287 ( 0.000 0.000 0.738) 0.738 7.402 ( 0.000 0.000 6.263) 6.263 7.518 ( 0.000 0.000 8.272) 8.272 7.602 ( 0.000 0.000 2.136) 2.136 7.667 ( 0.000 0.000 -0.187) 0.187 7.817 ( 0.000 0.000 -3.420) 3.420 7.978 ( 0.000 0.000 -13.250) 13.250 8.122 ( 0.000 0.000 7.232) 7.232 8.244 ( 0.000 0.000 -2.691) 2.691 8.357 ( 0.000 0.000 3.589) 3.589 8.539 ( 0.000 0.000 -2.689) 2.689 8.544 ( 0.000 0.000 1.825) 1.825 8.607 ( 0.000 0.000 -4.445) 4.445 8.994 ( 0.000 0.000 7.055) 7.055 9.005 ( 0.000 0.000 4.152) 4.152 9.267 ( 0.000 0.000 -4.598) 4.598 9.304 ( 0.000 0.000 -5.430) 5.430 9.433 ( 0.000 0.000 0.812) 0.812 9.502 ( 0.000 0.000 2.760) 2.760 9.525 ( 0.000 0.000 -3.036) 3.036 9.590 ( 0.000 0.000 -0.493) 0.493 9.705 ( 0.000 0.000 0.230) 0.230 9.725 ( 0.000 0.000 -1.088) 1.088 9.951 ( 0.000 0.000 1.353) 1.353 10.000 ( 0.000 0.000 -0.801) 0.801 10.987 ( 0.000 0.000 13.361) 13.361 11.408 ( 0.000 0.000 1.468) 1.468 11.411 ( 0.000 0.000 1.361) 1.361 11.665 ( 0.000 0.000 -15.960) 15.960 12.209 ( 0.000 0.000 -1.009) 1.009 12.218 ( 0.000 0.000 6.165) 6.165 12.233 ( 0.000 0.000 -1.955) 1.955 12.359 ( 0.000 0.000 -1.430) 1.430 13.487 ( 0.000 0.000 0.383) 0.383 13.491 ( 0.000 0.000 0.217) 0.217 13.928 ( 0.000 0.000 3.065) 3.065 14.006 ( 0.000 0.000 1.095) 1.095 14.168 ( 0.000 0.000 0.169) 0.169 14.175 ( 0.000 0.000 -0.102) 0.102 14.206 ( 0.000 0.000 0.021) 0.021 14.343 ( 0.000 0.000 -4.565) 4.565 15.219 ( 0.000 0.000 2.826) 2.826 15.246 ( 0.000 0.000 2.099) 2.099 15.523 ( 0.000 0.000 7.647) 7.647 15.853 ( 0.000 0.000 -2.799) 2.799 15.884 ( 0.000 0.000 -3.532) 3.532 15.957 ( 0.000 0.000 -6.177) 6.177 15.984 ( 0.000 0.000 -3.120) 3.120 16.035 ( 0.000 0.000 -2.119) 2.119 17.842 ( 0.000 0.000 2.437) 2.437 17.849 ( 0.000 0.000 0.261) 0.261 17.861 ( 0.000 0.000 -0.228) 0.228 17.904 ( 0.000 0.000 -0.167) 0.167 18.356 ( 0.000 0.000 6.881) 6.881 18.457 ( 0.000 0.000 8.833) 8.833 18.661 ( 0.000 0.000 -6.289) 6.289 18.669 ( 0.000 0.000 4.317) 4.317 18.863 ( 0.000 0.000 -5.974) 5.974 18.885 ( 0.000 0.000 4.138) 4.138 18.927 ( 0.000 0.000 -4.327) 4.327 19.048 ( 0.000 0.000 -3.940) 3.940 19.298 ( 0.000 0.000 6.757) 6.757 19.586 ( 0.000 0.000 1.968) 1.968 19.595 ( 0.000 0.000 1.380) 1.380 19.650 ( 0.000 0.000 -8.726) 8.726 20.061 ( 0.000 0.000 -1.224) 1.224 20.103 ( 0.000 0.000 -2.665) 2.665 20.219 ( 0.000 0.000 4.275) 4.275 20.342 ( 0.000 0.000 -1.443) 1.443 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 20.532 0.000 13.189) 24.404 0.806 ( 15.551 0.000 24.350) 28.892 1.239 ( 9.424 0.000 -10.952) 14.448 1.618 ( 19.834 0.000 41.565) 46.055 2.081 ( -4.972 0.000 -22.650) 23.190 2.470 ( -14.049 0.000 1.293) 14.109 2.581 ( -11.712 0.000 -2.120) 11.902 2.589 ( -12.396 0.000 0.918) 12.430 2.669 ( -16.264 0.000 -0.924) 16.290 2.916 ( -3.128 0.000 8.662) 9.209 3.110 ( -10.603 0.000 -5.657) 12.018 3.295 ( 6.974 0.000 4.438) 8.266 3.313 ( 0.166 0.000 -7.062) 7.064 3.712 ( 1.472 0.000 2.446) 2.855 3.827 ( 4.790 0.000 -3.423) 5.888 3.914 ( -14.874 0.000 -7.380) 16.604 4.025 ( 17.293 0.000 0.053) 17.293 4.094 ( 17.486 0.000 -0.517) 17.494 4.351 ( 12.152 0.000 13.621) 18.254 4.389 ( 21.655 0.000 -6.781) 22.692 4.607 ( -17.053 0.000 9.704) 19.621 4.967 ( 9.964 0.000 -1.332) 10.053 5.095 ( -4.989 0.000 -5.013) 7.072 5.096 ( -7.923 0.000 -12.581) 14.868 5.372 ( -2.277 0.000 7.505) 7.843 5.453 ( 5.529 0.000 -1.220) 5.662 5.527 ( 5.555 0.000 0.246) 5.561 5.574 ( 4.799 0.000 0.801) 4.865 5.632 ( 0.662 0.000 -5.792) 5.830 5.989 ( -8.059 0.000 -16.790) 18.624 6.072 ( -7.430 0.000 4.604) 8.741 6.107 ( 16.969 0.000 -0.047) 16.969 6.219 ( 6.609 0.000 -2.798) 7.177 6.383 ( -0.436 0.000 -2.099) 2.143 6.484 ( -14.533 0.000 10.682) 18.036 6.844 ( -5.760 0.000 -2.714) 6.367 6.996 ( -5.807 0.000 -0.758) 5.856 7.037 ( -10.200 0.000 8.856) 13.508 7.076 ( -4.134 0.000 -5.448) 6.838 7.225 ( -5.866 0.000 -2.948) 6.565 7.430 ( -15.654 0.000 5.447) 16.574 7.454 ( -3.048 0.000 8.530) 9.058 7.583 ( 3.122 0.000 2.076) 3.749 7.761 ( -9.800 0.000 -3.937) 10.561 7.799 ( 8.910 0.000 0.415) 8.920 7.952 ( 10.642 0.000 -4.196) 11.440 8.066 ( -4.336 0.000 6.316) 7.661 8.213 ( -5.183 0.000 -1.651) 5.440 8.446 ( -5.149 0.000 4.356) 6.745 8.467 ( 5.798 0.000 4.700) 7.463 8.536 ( 4.894 0.000 3.700) 6.135 8.716 ( 5.907 0.000 -6.212) 8.572 8.993 ( 0.247 0.000 5.252) 5.258 9.026 ( 2.217 0.000 2.360) 3.238 9.275 ( -2.551 0.000 -5.408) 5.979 9.281 ( -0.742 0.000 -6.712) 6.753 9.445 ( 1.733 0.000 1.022) 2.012 9.501 ( -0.032 0.000 2.364) 2.364 9.535 ( -0.522 0.000 -2.775) 2.824 9.579 ( -1.157 0.000 -0.586) 1.297 9.743 ( 2.848 0.000 0.571) 2.904 9.763 ( 3.499 0.000 -1.037) 3.649 9.932 ( -1.984 0.000 1.316) 2.381 9.981 ( -1.982 0.000 -0.856) 2.159 11.195 ( 10.562 0.000 1.542) 10.674 11.379 ( -1.424 0.000 2.345) 2.743 11.447 ( 2.079 0.000 -0.221) 2.090 11.574 ( -5.242 0.000 -8.722) 10.176 12.154 ( 0.100 0.000 12.819) 12.819 12.187 ( 0.037 0.000 1.799) 1.800 12.321 ( 6.020 0.000 -3.288) 6.860 12.429 ( 2.905 0.000 -0.116) 2.907 13.466 ( -1.095 0.000 0.030) 1.095 13.477 ( -0.679 0.000 -0.028) 0.679 13.764 ( -9.097 0.000 -1.120) 9.166 13.954 ( -13.257 0.000 -5.728) 14.442 14.214 ( 5.310 0.000 0.906) 5.387 14.243 ( 6.614 0.000 3.351) 7.415 14.255 ( 5.617 0.000 -0.737) 5.665 14.417 ( 2.721 0.000 -3.605) 4.517 15.240 ( 2.297 0.000 2.989) 3.770 15.276 ( 3.351 0.000 1.743) 3.777 15.493 ( -3.046 0.000 6.646) 7.311 15.775 ( -7.969 0.000 -3.570) 8.733 15.890 ( 0.538 0.000 -3.516) 3.557 15.914 ( -2.731 0.000 -0.590) 2.794 15.972 ( 1.454 0.000 -6.402) 6.565 16.046 ( 0.015 0.000 -4.963) 4.963 17.800 ( -2.928 0.000 4.223) 5.139 17.822 ( -3.660 0.000 1.921) 4.133 17.871 ( 0.641 0.000 -0.058) 0.643 17.930 ( 1.155 0.000 -1.308) 1.745 18.326 ( -0.512 0.000 7.195) 7.213 18.441 ( -1.320 0.000 8.262) 8.367 18.513 ( -0.686 0.000 1.227) 1.406 18.696 ( 2.325 0.000 2.798) 3.638 18.827 ( -1.629 0.000 -4.569) 4.851 18.922 ( 5.662 0.000 6.988) 8.993 18.926 ( -1.561 0.000 -3.956) 4.253 19.124 ( -2.692 0.000 -0.843) 2.821 19.243 ( -8.319 0.000 4.122) 9.285 19.496 ( -5.650 0.000 4.705) 7.352 19.612 ( 4.296 0.000 -11.563) 12.336 19.682 ( 4.969 0.000 -2.066) 5.381 20.053 ( -0.627 0.000 -0.879) 1.079 20.105 ( 0.176 0.000 -2.216) 2.223 20.131 ( -2.821 0.000 7.993) 8.476 20.266 ( -5.456 0.000 -0.232) 5.461 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 20.031 0.000 7.751) 21.478 1.216 ( 15.020 0.000 4.127) 15.576 1.480 ( 14.589 0.000 -7.562) 16.432 1.732 ( -6.518 0.000 0.610) 6.546 1.873 ( -6.592 0.000 4.550) 8.010 2.181 ( -26.763 0.000 1.233) 26.791 2.347 ( -0.918 0.000 -15.233) 15.260 2.415 ( -7.588 0.000 -5.857) 9.586 2.719 ( 20.459 0.000 9.302) 22.474 2.940 ( 1.489 0.000 2.886) 3.248 2.992 ( 0.102 0.000 1.147) 1.152 3.123 ( -15.628 0.000 -4.383) 16.230 3.353 ( 4.365 0.000 13.450) 14.140 3.664 ( -3.021 0.000 4.611) 5.512 3.670 ( -18.485 0.000 7.889) 20.098 3.758 ( -6.291 0.000 3.809) 7.354 4.332 ( 11.770 0.000 8.078) 14.275 4.420 ( 18.698 0.000 -2.623) 18.881 4.542 ( 20.378 0.000 1.912) 20.467 4.741 ( -5.619 0.000 -8.927) 10.548 4.774 ( -3.459 0.000 -4.237) 5.470 4.917 ( 4.415 0.000 7.097) 8.358 5.009 ( 23.305 0.000 -17.812) 29.332 5.012 ( -8.686 0.000 6.364) 10.768 5.240 ( -11.366 0.000 10.562) 15.516 5.483 ( -6.512 0.000 -8.706) 10.872 5.598 ( -5.748 0.000 -11.946) 13.257 5.629 ( -1.565 0.000 -6.083) 6.282 5.741 ( 9.720 0.000 -0.001) 9.720 5.896 ( 10.080 0.000 -12.232) 15.850 5.924 ( -8.645 0.000 0.964) 8.699 6.182 ( -14.410 0.000 -4.980) 15.246 6.278 ( 6.399 0.000 -1.793) 6.645 6.388 ( -4.334 0.000 0.808) 4.409 6.429 ( 11.012 0.000 -4.171) 11.775 6.661 ( -12.403 0.000 -4.484) 13.188 6.890 ( 1.430 0.000 10.185) 10.285 7.002 ( 0.929 0.000 17.788) 17.812 7.108 ( 2.804 0.000 -1.441) 3.153 7.123 ( -8.367 0.000 3.985) 9.268 7.190 ( -0.360 0.000 -0.800) 0.877 7.286 ( -9.805 0.000 6.710) 11.881 7.604 ( 0.885 0.000 -7.297) 7.351 7.664 ( -4.160 0.000 -7.218) 8.331 7.918 ( 4.703 0.000 3.638) 5.946 7.998 ( -3.359 0.000 6.573) 7.382 8.136 ( 4.476 0.000 -4.595) 6.415 8.139 ( -0.480 0.000 1.184) 1.277 8.388 ( 1.063 0.000 10.821) 10.873 8.467 ( -3.754 0.000 4.223) 5.651 8.680 ( 6.804 0.000 0.833) 6.854 8.766 ( -1.357 0.000 -3.124) 3.406 9.021 ( 2.424 0.000 1.116) 2.669 9.052 ( -0.131 0.000 0.393) 0.415 9.233 ( -1.023 0.000 -5.964) 6.052 9.247 ( -1.985 0.000 -6.813) 7.096 9.494 ( 2.880 0.000 0.558) 2.934 9.505 ( 0.456 0.000 1.461) 1.531 9.518 ( -0.904 0.000 -0.029) 0.905 9.546 ( -2.304 0.000 -0.254) 2.318 9.807 ( 3.711 0.000 0.886) 3.815 9.844 ( 4.457 0.000 -1.112) 4.594 9.878 ( -3.424 0.000 1.125) 3.605 9.925 ( -3.734 0.000 -1.010) 3.868 11.310 ( 2.934 0.000 2.556) 3.891 11.350 ( -1.643 0.000 2.906) 3.338 11.485 ( 1.777 0.000 -2.604) 3.153 11.516 ( -1.606 0.000 -5.280) 5.519 12.188 ( 1.860 0.000 10.007) 10.179 12.200 ( 0.571 0.000 5.825) 5.853 12.426 ( 4.065 0.000 -2.891) 4.988 12.462 ( 0.267 0.000 -0.793) 0.837 13.483 ( 3.430 0.000 -0.822) 3.527 13.509 ( 4.994 0.000 -1.134) 5.121 13.596 ( -7.835 0.000 -1.605) 7.997 13.685 ( -12.696 0.000 -3.607) 13.199 14.331 ( 5.314 0.000 0.224) 5.319 14.335 ( 2.628 0.000 1.438) 2.996 14.340 ( 2.881 0.000 -0.169) 2.886 14.416 ( -2.487 0.000 -1.727) 3.028 15.309 ( 4.746 0.000 3.653) 5.989 15.386 ( 8.084 0.000 0.448) 8.096 15.411 ( -5.216 0.000 4.979) 7.211 15.578 ( -11.072 0.000 -1.763) 11.211 15.898 ( 0.104 0.000 -2.292) 2.294 15.898 ( 0.207 0.000 -3.263) 3.270 16.006 ( 1.881 0.000 -6.739) 6.997 16.036 ( -1.054 0.000 -6.485) 6.570 17.753 ( -1.547 0.000 5.369) 5.587 17.755 ( -2.008 0.000 4.406) 4.842 17.889 ( 1.453 0.000 -1.149) 1.852 17.924 ( -1.625 0.000 -1.752) 2.389 18.361 ( 3.149 0.000 8.401) 8.972 18.412 ( -1.882 0.000 8.450) 8.657 18.626 ( 8.606 0.000 -2.979) 9.107 18.736 ( 0.012 0.000 -2.665) 2.665 18.833 ( 1.275 0.000 -2.046) 2.411 18.882 ( 0.677 0.000 -1.744) 1.870 18.907 ( -5.587 0.000 -0.297) 5.595 19.005 ( -9.597 0.000 -1.958) 9.794 19.211 ( 7.290 0.000 11.234) 13.392 19.366 ( -7.707 0.000 8.190) 11.246 19.729 ( 5.003 0.000 -11.979) 12.982 19.761 ( 2.013 0.000 -7.772) 8.029 20.055 ( 1.498 0.000 0.993) 1.797 20.102 ( -1.538 0.000 3.758) 4.061 20.111 ( 0.621 0.000 -0.729) 0.958 20.154 ( -4.998 0.000 0.161) 5.001 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 26.421 16.205) 30.995 0.863 ( 0.000 11.547 31.173) 33.242 1.452 ( 0.000 17.809 50.951) 53.974 1.480 ( 0.000 27.178 -12.512) 29.920 2.150 ( 0.000 4.109 -24.685) 25.025 2.769 ( 0.000 6.750 0.376) 6.760 2.780 ( 0.000 4.244 -0.155) 4.246 2.944 ( 0.000 12.461 -4.425) 13.224 3.103 ( 0.000 9.167 4.347) 10.146 3.105 ( 0.000 16.702 4.928) 17.414 3.235 ( 0.000 11.986 1.976) 12.148 3.335 ( 0.000 9.062 -3.864) 9.851 3.410 ( 0.000 8.262 -4.154) 9.247 3.621 ( 0.000 4.964 -15.244) 16.032 3.827 ( 0.000 5.333 -0.030) 5.333 3.828 ( 0.000 4.225 0.413) 4.245 4.032 ( 0.000 10.257 9.555) 14.018 4.127 ( 0.000 9.690 -8.993) 13.220 4.207 ( 0.000 5.646 16.013) 16.979 4.507 ( 0.000 0.358 -8.070) 8.078 4.509 ( 0.000 1.094 -4.465) 4.597 5.083 ( 0.000 1.352 -3.476) 3.730 5.115 ( 0.000 1.143 -7.564) 7.650 5.134 ( 0.000 2.159 0.814) 2.307 5.303 ( 0.000 0.280 3.642) 3.653 5.444 ( 0.000 2.051 -3.280) 3.868 5.628 ( 0.000 14.111 -4.126) 14.702 5.651 ( 0.000 5.783 0.644) 5.818 5.741 ( 0.000 1.675 4.368) 4.678 5.826 ( 0.000 9.344 1.017) 9.399 6.091 ( 0.000 -2.979 -0.337) 2.998 6.092 ( 0.000 -1.116 -5.615) 5.724 6.175 ( 0.000 1.215 2.431) 2.718 6.382 ( 0.000 2.076 0.214) 2.087 6.669 ( 0.000 -9.614 10.481) 14.222 6.861 ( 0.000 -1.514 0.857) 1.740 7.044 ( 0.000 4.160 -0.079) 4.161 7.105 ( 0.000 -4.503 -4.223) 6.173 7.285 ( 0.000 -0.084 3.011) 3.013 7.323 ( 0.000 2.309 0.879) 2.471 7.337 ( 0.000 -3.723 10.349) 10.999 7.568 ( 0.000 3.825 5.910) 7.040 7.694 ( 0.000 6.495 -0.106) 6.496 7.707 ( 0.000 1.402 -0.651) 1.545 7.867 ( 0.000 4.717 -3.972) 6.167 7.895 ( 0.000 -3.537 -6.512) 7.411 8.073 ( 0.000 -3.671 5.097) 6.282 8.185 ( 0.000 -2.781 -1.959) 3.402 8.410 ( 0.000 5.203 1.618) 5.449 8.452 ( 0.000 2.040 0.893) 2.227 8.517 ( 0.000 -1.851 -2.220) 2.890 8.597 ( 0.000 -2.214 -3.675) 4.291 8.996 ( 0.000 -0.796 3.695) 3.780 9.012 ( 0.000 -0.097 7.178) 7.179 9.271 ( 0.000 -0.494 -5.863) 5.884 9.283 ( 0.000 -3.942 -3.250) 5.109 9.478 ( 0.000 5.151 0.343) 5.163 9.553 ( 0.000 3.860 -2.433) 4.563 9.584 ( 0.000 6.658 3.285) 7.424 9.668 ( 0.000 7.409 0.359) 7.418 9.782 ( 0.000 7.295 -0.172) 7.297 9.796 ( 0.000 6.698 -1.431) 6.849 10.142 ( 0.000 12.787 3.457) 13.246 10.766 ( 0.000 40.551 -40.976) 57.649 10.994 ( 0.000 0.704 13.522) 13.540 11.392 ( 0.000 -1.446 1.362) 1.986 11.399 ( 0.000 -1.139 1.228) 1.675 11.698 ( 0.000 3.308 -17.558) 17.867 12.163 ( 0.000 -3.762 6.553) 7.556 12.189 ( 0.000 -1.888 -0.853) 2.072 12.244 ( 0.000 -0.154 -1.867) 1.874 12.349 ( 0.000 -1.136 -1.587) 1.952 13.518 ( 0.000 2.651 0.615) 2.721 13.639 ( 0.000 11.643 -11.942) 16.678 13.931 ( 0.000 0.344 2.950) 2.970 14.011 ( 0.000 0.479 0.806) 0.938 14.173 ( 0.000 0.331 0.337) 0.473 14.179 ( 0.000 0.364 0.016) 0.364 14.208 ( 0.000 0.361 0.011) 0.361 14.345 ( 0.000 0.206 -4.513) 4.518 15.221 ( 0.000 0.269 2.578) 2.592 15.249 ( 0.000 0.265 1.893) 1.911 15.526 ( 0.000 0.266 7.517) 7.521 15.833 ( 0.000 -1.534 -3.867) 4.161 15.887 ( 0.000 0.077 -2.176) 2.177 15.944 ( 0.000 -1.228 -5.821) 5.949 15.981 ( 0.000 -0.117 -3.171) 3.173 16.031 ( 0.000 -0.367 -2.107) 2.138 17.826 ( 0.000 -1.413 1.484) 2.049 17.833 ( 0.000 -1.491 0.208) 1.505 17.853 ( 0.000 -0.795 0.752) 1.094 17.893 ( 0.000 -1.020 -0.071) 1.022 18.361 ( 0.000 0.444 7.215) 7.228 18.450 ( 0.000 -0.701 8.409) 8.438 18.667 ( 0.000 0.504 -5.977) 5.998 18.668 ( 0.000 -0.191 4.359) 4.364 18.838 ( 0.000 -2.645 -5.042) 5.694 18.881 ( 0.000 -0.539 2.834) 2.885 18.919 ( 0.000 -0.638 -3.124) 3.189 18.973 ( 0.000 -9.344 8.181) 12.419 19.190 ( 0.000 -7.990 7.512) 10.967 19.498 ( 0.000 -7.791 -2.871) 8.303 19.510 ( 0.000 -5.098 7.462) 9.037 19.657 ( 0.000 -0.778 -4.467) 4.534 19.950 ( 0.000 -16.479 14.631) 22.037 20.042 ( 0.000 -4.324 1.305) 4.517 20.054 ( 0.000 -4.762 -2.150) 5.225 20.168 ( 0.000 -4.396 1.456) 4.631 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 13.056 11.850 20.995) 27.417 1.030 ( 16.034 25.643 10.717) 32.086 1.551 ( 7.108 25.519 -10.335) 28.436 1.737 ( 18.084 12.410 35.900) 42.070 2.125 ( -3.035 4.476 -21.364) 22.038 2.558 ( -11.010 7.724 0.651) 13.465 2.631 ( -15.627 5.223 -2.369) 16.646 2.753 ( -16.358 12.159 0.029) 20.382 2.775 ( -18.582 10.386 0.350) 21.290 2.960 ( -2.797 6.595 5.844) 9.245 3.282 ( -6.186 13.561 -0.564) 14.916 3.426 ( 3.805 11.004 -3.747) 12.232 3.582 ( 5.112 20.531 1.039) 21.184 3.739 ( 5.643 5.622 0.759) 8.002 3.885 ( -1.441 3.637 -4.859) 6.238 4.026 ( 8.855 10.797 -2.094) 14.120 4.049 ( 4.239 2.733 -0.054) 5.044 4.121 ( 7.273 6.014 1.981) 9.643 4.355 ( 12.638 1.286 0.849) 12.732 4.423 ( 18.419 3.582 1.635) 18.835 4.649 ( -9.602 3.325 6.428) 12.024 4.962 ( 5.345 -0.669 -5.351) 7.593 5.063 ( -6.778 0.229 -6.575) 9.446 5.156 ( -2.015 3.981 -7.152) 8.430 5.351 ( 1.675 0.359 6.626) 6.844 5.468 ( 0.828 1.439 -0.863) 1.871 5.650 ( 3.293 6.912 -0.800) 7.699 5.680 ( 4.064 11.022 -0.823) 11.776 5.717 ( 0.629 6.835 -4.390) 8.148 5.987 ( -5.230 -0.339 -10.731) 11.942 6.054 ( -1.462 0.977 0.113) 1.762 6.145 ( 8.493 1.402 0.460) 8.620 6.210 ( 6.517 0.189 -1.290) 6.646 6.359 ( -2.545 -1.987 -0.367) 3.250 6.489 ( -8.140 1.637 8.712) 12.035 6.819 ( -6.419 -2.715 -2.697) 7.474 6.976 ( -7.391 -0.700 1.922) 7.669 7.044 ( -7.772 0.685 3.691) 8.631 7.099 ( -1.507 2.620 0.953) 3.169 7.279 ( -6.115 3.763 -2.659) 7.657 7.414 ( 0.874 -1.957 8.142) 8.420 7.480 ( -15.188 3.980 4.917) 16.453 7.612 ( 0.694 1.512 3.016) 3.444 7.735 ( -6.560 -1.578 -3.100) 7.425 7.835 ( 5.325 3.081 -1.106) 6.251 7.987 ( 8.888 2.703 -4.554) 10.347 8.050 ( -0.975 -0.664 5.495) 5.620 8.219 ( -2.987 0.127 -2.175) 3.697 8.412 ( -4.166 -2.544 4.596) 6.704 8.440 ( 3.611 -0.909 3.221) 4.923 8.514 ( 4.239 0.672 0.852) 4.376 8.699 ( 5.716 -1.427 -5.954) 8.376 8.976 ( -0.834 -1.234 4.517) 4.756 9.027 ( 0.621 -1.383 3.455) 3.773 9.254 ( -1.832 -2.187 -5.200) 5.931 9.274 ( -1.003 -1.889 -6.180) 6.540 9.492 ( 1.620 4.931 0.557) 5.220 9.543 ( -0.316 4.254 -0.995) 4.380 9.583 ( -0.420 6.748 2.248) 7.125 9.658 ( -1.076 7.181 -0.423) 7.274 9.824 ( 3.843 6.854 -0.434) 7.870 9.835 ( 3.918 7.942 -0.427) 8.866 10.112 ( -3.027 11.803 2.688) 12.478 10.375 ( -19.574 29.025 -8.123) 35.939 11.225 ( 8.533 3.028 -1.899) 9.251 11.367 ( -1.152 -1.143 1.972) 2.554 11.435 ( 2.191 -1.111 -0.590) 2.526 11.585 ( -6.803 1.181 -8.902) 11.266 12.133 ( 0.875 -1.871 11.637) 11.819 12.176 ( -0.246 -1.091 2.376) 2.626 12.300 ( 5.726 -1.966 -2.975) 6.745 12.411 ( 2.848 -1.768 -0.486) 3.387 13.497 ( -1.240 2.555 0.314) 2.857 13.545 ( -4.407 6.227 -1.343) 7.746 13.786 ( -8.528 2.148 -2.164) 9.057 13.958 ( -12.620 0.387 -5.429) 13.744 14.216 ( 5.441 0.216 1.790) 5.732 14.244 ( 6.416 0.233 1.836) 6.677 14.263 ( 5.615 0.748 -0.078) 5.665 14.416 ( 2.766 -0.038 -3.543) 4.495 15.241 ( 2.065 0.007 2.849) 3.519 15.281 ( 3.508 0.473 1.449) 3.825 15.495 ( -3.150 0.138 6.605) 7.319 15.769 ( -7.380 -0.615 -3.877) 8.360 15.882 ( 0.120 -0.596 -2.429) 2.504 15.923 ( -2.200 0.651 -1.311) 2.642 15.959 ( 1.335 -1.133 -6.074) 6.321 16.044 ( 0.203 -0.145 -4.687) 4.694 17.794 ( -2.634 -0.606 3.830) 4.688 17.815 ( -2.978 -0.664 1.677) 3.482 17.861 ( 0.974 -0.943 -0.016) 1.355 17.921 ( 1.265 -0.988 -1.389) 2.123 18.326 ( -0.701 -0.016 7.223) 7.257 18.437 ( -1.543 -0.427 8.025) 8.183 18.512 ( -0.688 -0.153 2.016) 2.136 18.684 ( 1.750 -1.152 2.735) 3.446 18.815 ( -1.463 -1.220 -3.936) 4.372 18.896 ( 0.967 -1.947 0.573) 2.248 18.925 ( 2.398 -0.778 1.681) 3.030 19.100 ( -2.459 -2.548 0.847) 3.641 19.206 ( -6.166 -3.447 2.345) 7.443 19.401 ( 1.615 -7.599 1.483) 7.909 19.574 ( 2.891 -3.751 -3.106) 5.664 19.670 ( 3.716 -1.375 -4.163) 5.747 20.007 ( 2.526 -8.214 4.494) 9.698 20.025 ( -0.489 -4.182 0.909) 4.308 20.078 ( 0.554 -4.781 -0.593) 4.849 20.148 ( -2.687 -7.084 0.804) 7.619 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 19.840 13.865 7.317) 25.286 1.406 ( 16.099 18.564 3.003) 24.755 1.722 ( 8.976 20.311 -7.147) 23.328 1.833 ( -4.959 8.739 1.821) 10.211 1.997 ( -5.959 10.787 2.181) 12.515 2.238 ( -25.703 6.160 2.187) 26.522 2.397 ( -4.360 6.057 -13.607) 15.519 2.475 ( -8.018 6.515 -5.857) 11.876 2.834 ( 21.507 9.994 9.938) 25.714 3.001 ( 5.549 6.784 5.767) 10.491 3.182 ( -9.278 14.246 0.177) 17.002 3.284 ( -8.708 12.868 -0.593) 15.549 3.505 ( -7.214 11.858 8.941) 16.510 3.717 ( -13.348 6.456 8.572) 17.127 3.798 ( 0.996 14.272 0.213) 14.308 3.944 ( -5.046 17.006 1.187) 17.778 4.312 ( 14.445 -0.615 7.444) 16.262 4.434 ( 16.411 0.607 -0.656) 16.435 4.596 ( 25.313 5.188 2.865) 25.998 4.683 ( -13.484 -0.761 -7.522) 15.459 4.841 ( -4.704 1.724 -3.616) 6.179 4.950 ( 7.631 3.360 5.375) 9.921 4.986 ( 16.381 1.407 -9.338) 18.908 5.078 ( -3.408 4.421 -2.960) 6.319 5.272 ( -8.739 3.071 9.062) 12.959 5.489 ( -6.798 0.192 -8.591) 10.957 5.639 ( -5.365 3.507 -13.932) 15.336 5.687 ( -2.633 5.310 -7.270) 9.380 5.824 ( 9.040 7.807 0.138) 11.946 5.947 ( 8.999 4.816 -7.489) 12.659 5.986 ( -5.635 6.612 1.187) 8.768 6.175 ( -8.637 -0.358 -2.366) 8.962 6.271 ( 2.611 -0.614 -1.624) 3.136 6.370 ( -2.161 -0.788 -0.965) 2.494 6.435 ( 6.346 0.597 -3.120) 7.097 6.631 ( -11.468 -2.453 -4.146) 12.439 6.881 ( 0.216 -0.785 12.750) 12.776 7.010 ( 1.222 1.135 14.770) 14.864 7.152 ( 2.864 3.375 1.290) 4.610 7.175 ( -5.891 4.747 1.693) 7.753 7.238 ( -2.853 4.791 -0.180) 5.579 7.317 ( -6.623 3.127 4.818) 8.766 7.598 ( -0.755 -0.434 -6.793) 6.848 7.653 ( -4.014 -0.833 -6.937) 8.058 7.923 ( 4.037 0.123 3.610) 5.417 8.017 ( -1.900 1.261 6.802) 7.175 8.116 ( 0.819 -0.917 -1.135) 1.674 8.166 ( -0.312 0.742 -0.492) 0.943 8.377 ( 3.145 -0.374 9.052) 9.590 8.468 ( -2.667 0.450 2.445) 3.647 8.627 ( 6.872 -3.707 0.994) 7.871 8.737 ( -2.678 -2.615 -2.687) 4.607 8.976 ( 0.941 -2.731 0.527) 2.936 9.036 ( 0.109 -2.271 1.377) 2.658 9.226 ( -0.470 -1.589 -6.663) 6.866 9.243 ( -1.726 -1.028 -7.443) 7.710 9.528 ( 1.233 4.079 0.658) 4.311 9.551 ( 1.204 4.793 0.100) 4.943 9.572 ( -0.491 6.424 1.053) 6.528 9.628 ( -1.701 7.465 -0.572) 7.678 9.918 ( 5.321 7.613 -0.131) 9.289 9.934 ( 6.017 11.221 -0.324) 12.736 10.033 ( -4.776 9.922 1.515) 11.116 10.106 ( -9.553 17.964 -0.679) 20.358 11.311 ( 2.132 0.066 1.997) 2.922 11.344 ( -1.433 -0.552 2.449) 2.891 11.474 ( 1.703 -1.026 -2.984) 3.586 11.508 ( -1.912 -0.743 -5.104) 5.501 12.174 ( 1.915 -1.398 9.432) 9.725 12.186 ( 0.548 -1.257 5.849) 6.007 12.402 ( 3.929 -2.233 -2.720) 5.274 12.443 ( 0.314 -1.900 -1.129) 2.232 13.509 ( 2.955 2.356 -0.534) 3.817 13.532 ( 2.995 2.313 -0.467) 3.813 13.627 ( -6.801 2.992 -2.262) 7.767 13.703 ( -11.689 1.768 -3.428) 12.309 14.327 ( 4.151 -0.059 1.231) 4.330 14.342 ( 2.899 0.302 -0.083) 2.916 14.348 ( 3.618 0.844 0.359) 3.733 14.419 ( -2.213 0.295 -1.755) 2.840 15.306 ( 4.538 -0.347 3.613) 5.811 15.390 ( 6.484 0.311 0.663) 6.525 15.413 ( -3.624 0.263 4.474) 5.763 15.580 ( -10.721 0.253 -1.948) 10.899 15.890 ( 0.413 -0.426 -2.897) 2.957 15.908 ( -0.095 0.528 -2.138) 2.204 15.989 ( 1.398 -1.336 -6.622) 6.898 16.039 ( -0.596 0.055 -5.815) 5.846 17.744 ( -1.800 -0.437 4.487) 4.855 17.763 ( -1.442 0.405 4.677) 4.911 17.883 ( 1.506 -0.571 -1.133) 1.970 17.917 ( -1.472 -0.719 -1.847) 2.469 18.358 ( 2.987 -0.313 8.042) 8.584 18.408 ( -1.826 -0.385 8.262) 8.471 18.612 ( 7.854 -1.341 -2.700) 8.413 18.714 ( -0.226 -2.080 -2.291) 3.102 18.820 ( 0.614 -1.311 -1.891) 2.381 18.862 ( 0.496 -1.776 -1.876) 2.631 18.891 ( -4.875 -1.600 -0.308) 5.141 18.992 ( -8.739 -1.415 -2.041) 9.085 19.197 ( 7.261 -1.363 10.752) 13.046 19.343 ( -6.467 -2.098 7.923) 10.440 19.689 ( 5.470 -3.706 -10.062) 12.037 19.739 ( 1.986 -2.243 -8.334) 8.856 20.011 ( 0.250 -4.111 0.730) 4.182 20.048 ( 0.871 -5.159 1.475) 5.437 20.068 ( -2.497 -4.783 1.292) 5.548 20.080 ( -1.726 -5.641 0.175) 5.902 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 21.211 20.650) 29.603 1.298 ( 0.000 19.544 21.282) 28.894 1.999 ( 0.000 29.954 22.084) 37.215 2.040 ( 0.000 24.427 -14.158) 28.234 2.282 ( 0.000 10.038 -16.284) 19.129 2.920 ( 0.000 7.891 1.513) 8.035 2.924 ( 0.000 7.547 -1.485) 7.691 3.179 ( 0.000 9.957 0.398) 9.965 3.284 ( 0.000 -2.451 -3.174) 4.011 3.305 ( 0.000 -2.782 0.066) 2.783 3.439 ( 0.000 18.652 -1.518) 18.714 3.476 ( 0.000 13.688 2.363) 13.891 3.730 ( 0.000 16.945 2.330) 17.105 3.864 ( 0.000 12.546 0.649) 12.563 3.961 ( 0.000 6.306 8.826) 10.847 4.098 ( 0.000 21.627 2.489) 21.770 4.317 ( 0.000 9.090 -8.471) 12.426 4.337 ( 0.000 14.714 3.059) 15.029 4.421 ( 0.000 14.201 -0.848) 14.226 4.574 ( 0.000 7.318 -13.785) 15.607 4.647 ( 0.000 16.831 -3.995) 17.299 5.122 ( 0.000 2.430 -8.864) 9.191 5.193 ( 0.000 3.688 4.640) 5.927 5.194 ( 0.000 7.446 -1.511) 7.597 5.362 ( 0.000 5.232 1.398) 5.415 5.477 ( 0.000 2.019 -1.776) 2.688 5.715 ( 0.000 -0.759 -0.319) 0.823 5.823 ( 0.000 5.170 1.294) 5.330 5.920 ( 0.000 7.368 1.024) 7.439 5.957 ( 0.000 3.598 -0.089) 3.600 6.106 ( 0.000 6.531 2.326) 6.933 6.127 ( 0.000 8.727 -1.158) 8.804 6.286 ( 0.000 12.418 -4.067) 13.067 6.379 ( 0.000 -0.494 1.093) 1.199 6.640 ( 0.000 5.973 4.444) 7.445 6.816 ( 0.000 -2.402 -1.484) 2.824 7.029 ( 0.000 -2.036 5.000) 5.399 7.169 ( 0.000 6.784 -0.880) 6.840 7.263 ( 0.000 -1.353 6.241) 6.386 7.265 ( 0.000 -2.665 11.484) 11.789 7.385 ( 0.000 3.280 0.826) 3.382 7.644 ( 0.000 -1.211 -0.153) 1.220 7.676 ( 0.000 1.583 0.878) 1.810 7.825 ( 0.000 6.193 -1.661) 6.412 7.929 ( 0.000 4.832 -2.505) 5.443 7.981 ( 0.000 4.152 -5.255) 6.697 8.026 ( 0.000 0.825 1.399) 1.624 8.145 ( 0.000 -1.489 -4.719) 4.949 8.440 ( 0.000 -2.101 1.157) 2.399 8.488 ( 0.000 -1.835 -0.686) 1.959 8.594 ( 0.000 9.416 -1.204) 9.492 8.629 ( 0.000 8.062 -1.788) 8.257 8.953 ( 0.000 -5.267 5.613) 7.697 8.968 ( 0.000 -2.049 2.372) 3.134 9.172 ( 0.000 -6.335 -2.876) 6.957 9.223 ( 0.000 -3.880 -6.188) 7.304 9.627 ( 0.000 9.061 -0.617) 9.082 9.694 ( 0.000 9.373 -2.809) 9.784 9.763 ( 0.000 10.414 4.623) 11.394 9.873 ( 0.000 11.582 0.717) 11.604 9.977 ( 0.000 11.254 -0.944) 11.294 9.982 ( 0.000 11.059 -2.488) 11.335 10.451 ( 0.000 15.528 10.205) 18.581 11.017 ( 0.000 1.492 13.926) 14.006 11.228 ( 0.000 9.264 -24.993) 26.654 11.353 ( 0.000 -2.158 0.593) 2.239 11.368 ( 0.000 -1.662 0.994) 1.937 11.783 ( 0.000 3.926 -17.580) 18.013 12.078 ( 0.000 -4.386 7.910) 9.045 12.138 ( 0.000 -2.895 -0.508) 2.939 12.230 ( 0.000 -0.983 -3.850) 3.973 12.308 ( 0.000 -2.936 -1.853) 3.472 13.595 ( 0.000 4.729 1.516) 4.966 13.847 ( 0.000 7.542 -15.706) 17.423 13.943 ( 0.000 0.790 2.653) 2.768 14.030 ( 0.000 1.559 -0.523) 1.645 14.176 ( 0.000 -0.015 0.885) 0.885 14.190 ( 0.000 0.724 0.291) 0.781 14.227 ( 0.000 1.566 -0.050) 1.567 14.353 ( 0.000 0.655 -4.326) 4.375 15.230 ( 0.000 0.566 1.932) 2.013 15.257 ( 0.000 0.434 1.465) 1.528 15.534 ( 0.000 0.529 7.106) 7.126 15.797 ( 0.000 -1.941 -4.674) 5.061 15.887 ( 0.000 -0.094 -1.149) 1.153 15.909 ( 0.000 -2.066 -4.850) 5.272 15.984 ( 0.000 0.430 -3.103) 3.132 16.025 ( 0.000 -0.015 -1.963) 1.963 17.791 ( 0.000 -1.932 0.640) 2.036 17.793 ( 0.000 -2.320 0.236) 2.332 17.829 ( 0.000 -1.530 1.238) 1.968 17.863 ( 0.000 -1.940 0.049) 1.941 18.369 ( 0.000 0.220 8.636) 8.639 18.431 ( 0.000 -1.001 7.356) 7.424 18.636 ( 0.000 -4.891 11.837) 12.808 18.678 ( 0.000 0.532 -5.212) 5.240 18.717 ( 0.000 -5.214 9.855) 11.149 18.808 ( 0.000 -4.055 -1.143) 4.213 18.854 ( 0.000 -2.254 -0.965) 2.452 18.906 ( 0.000 -0.667 0.233) 0.706 19.086 ( 0.000 -3.627 -0.151) 3.630 19.307 ( 0.000 -10.218 -4.693) 11.245 19.436 ( 0.000 -2.531 6.046) 6.554 19.613 ( 0.000 -3.316 -2.693) 4.272 19.731 ( 0.000 -7.431 7.903) 10.848 19.920 ( 0.000 -7.813 -2.350) 8.159 19.954 ( 0.000 -5.022 -0.457) 5.043 20.060 ( 0.000 -5.956 -1.814) 6.226 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 10.221 20.637 14.040) 26.971 1.498 ( 15.375 19.047 15.831) 29.151 2.062 ( 2.340 20.662 -1.561) 20.852 2.123 ( 5.214 20.348 -8.873) 22.803 2.305 ( 3.972 16.707 1.746) 17.261 2.719 ( -8.696 7.486 -1.097) 11.527 2.772 ( -16.048 8.268 -2.966) 18.295 2.962 ( -17.905 7.991 6.374) 20.617 3.048 ( -14.809 12.783 2.726) 19.752 3.185 ( -8.190 12.741 -0.123) 15.147 3.508 ( 9.720 5.462 0.671) 11.170 3.625 ( -0.907 12.225 -1.711) 12.378 3.849 ( 10.842 5.943 0.135) 12.365 4.023 ( -8.088 8.254 -0.582) 11.571 4.065 ( 8.145 9.507 2.484) 12.763 4.158 ( 11.034 12.984 3.278) 17.352 4.216 ( -0.033 16.875 -1.011) 16.906 4.444 ( 9.201 12.224 1.738) 15.398 4.532 ( 5.804 22.458 -6.014) 23.963 4.575 ( 10.857 12.461 1.007) 16.557 4.736 ( 2.890 7.044 -4.193) 8.692 4.977 ( -5.249 3.229 -4.386) 7.564 5.104 ( -1.545 3.517 -4.622) 6.010 5.274 ( -0.972 7.540 -7.510) 10.686 5.393 ( 2.847 3.641 5.523) 7.202 5.536 ( 0.866 6.029 0.101) 6.092 5.729 ( 2.212 -0.151 -1.512) 2.684 5.855 ( 1.908 2.971 -1.994) 4.055 5.909 ( 1.371 7.919 -1.991) 8.280 5.999 ( 1.468 5.074 0.816) 5.345 6.130 ( -1.896 3.843 -3.842) 5.756 6.183 ( 2.777 6.927 -0.423) 7.475 6.312 ( 7.770 9.495 -0.484) 12.278 6.364 ( -1.168 6.106 1.000) 6.296 6.574 ( -5.269 6.473 3.722) 9.139 6.758 ( -5.829 -1.603 -2.663) 6.606 6.973 ( -5.531 0.293 6.551) 8.579 7.071 ( -8.488 1.240 8.170) 11.846 7.170 ( -0.059 4.008 -0.957) 4.121 7.348 ( -0.086 3.121 1.998) 3.707 7.398 ( 1.939 0.433 2.703) 3.355 7.582 ( -11.334 5.625 4.278) 13.357 7.638 ( -0.654 1.574 1.457) 2.242 7.736 ( -5.179 2.090 -0.893) 5.656 7.887 ( -1.192 1.084 -2.584) 3.045 8.000 ( -0.085 -0.967 -1.176) 1.524 8.086 ( 5.028 2.551 -3.119) 6.443 8.196 ( 1.126 -2.099 -3.149) 3.949 8.351 ( -2.820 -1.961 6.588) 7.429 8.487 ( -3.900 4.499 2.395) 6.418 8.582 ( 1.299 5.014 -1.398) 5.364 8.686 ( 3.465 1.201 -5.469) 6.585 8.924 ( -1.963 -4.963 5.306) 7.525 8.981 ( 0.853 -1.357 1.564) 2.239 9.172 ( -0.402 -4.878 -4.961) 6.969 9.215 ( -0.619 -3.704 -5.615) 6.755 9.642 ( 1.626 9.276 -0.421) 9.427 9.691 ( -0.268 9.498 -1.813) 9.674 9.767 ( -0.017 10.648 2.835) 11.019 9.863 ( -1.070 12.086 -0.275) 12.136 10.003 ( 3.898 10.449 -0.611) 11.169 10.054 ( 6.181 12.242 -0.955) 13.747 10.401 ( -4.889 14.894 8.384) 17.777 10.801 ( -16.703 12.203 -0.407) 20.690 11.295 ( 1.779 2.030 -5.390) 6.028 11.340 ( 0.330 -1.037 -1.003) 1.480 11.408 ( 2.610 -1.292 -2.229) 3.668 11.631 ( -11.367 3.325 -10.795) 16.025 12.083 ( 2.082 -2.921 9.878) 10.509 12.144 ( -0.293 -2.004 2.279) 3.049 12.245 ( 4.620 -3.196 -2.402) 6.110 12.357 ( 2.420 -3.507 -1.065) 4.392 13.569 ( -1.619 4.426 1.171) 4.856 13.680 ( -8.501 6.071 -1.031) 10.497 13.851 ( -7.418 4.024 -5.081) 9.851 13.971 ( -10.934 0.934 -4.644) 11.916 14.223 ( 5.850 0.424 3.109) 6.638 14.255 ( 6.021 0.918 0.848) 6.150 14.284 ( 5.348 1.331 -0.296) 5.519 14.417 ( 2.870 0.237 -3.412) 4.465 15.241 ( 1.495 0.024 2.517) 2.928 15.295 ( 3.831 0.817 0.686) 3.976 15.499 ( -3.442 0.312 6.385) 7.261 15.751 ( -5.920 -1.173 -4.258) 7.386 15.870 ( -0.372 -0.524 -1.594) 1.718 15.920 ( 0.656 -1.511 -3.935) 4.265 15.949 ( -0.970 0.908 -2.551) 2.876 16.041 ( 0.330 -0.109 -3.908) 3.923 17.775 ( -1.790 -1.166 2.953) 3.645 17.795 ( -1.336 -1.286 1.146) 2.179 17.836 ( 1.508 -1.428 -0.038) 2.077 17.889 ( 1.578 -2.103 -1.278) 2.923 18.325 ( -1.057 -0.131 7.422) 7.499 18.425 ( -2.136 -0.732 7.462) 7.797 18.504 ( -0.142 -0.636 3.807) 3.862 18.650 ( 0.125 -2.040 1.856) 2.761 18.776 ( -0.860 -2.596 -1.986) 3.380 18.848 ( 0.075 -2.667 -1.043) 2.865 18.885 ( 1.600 -3.130 0.226) 3.523 19.023 ( 2.093 -4.198 3.942) 6.127 19.117 ( -3.614 -5.047 -0.688) 6.246 19.254 ( 6.623 -6.088 -0.753) 9.027 19.480 ( 2.042 -4.719 1.665) 5.405 19.619 ( 2.413 -3.583 -3.273) 5.420 19.815 ( 5.677 -8.617 4.157) 11.125 19.926 ( -0.092 -6.764 -1.377) 6.903 19.949 ( -0.253 -6.522 -0.695) 6.564 20.021 ( -3.652 -6.102 -1.341) 7.237 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 19.887 15.280 4.480) 25.476 1.831 ( 13.648 19.321 7.484) 24.811 2.007 ( -5.121 9.298 -0.280) 10.618 2.125 ( -6.193 14.324 -5.755) 16.633 2.305 ( -2.193 18.621 0.603) 18.759 2.442 ( -16.889 13.873 2.040) 21.951 2.595 ( -1.244 12.053 -12.441) 17.367 2.708 ( -10.887 15.590 -3.599) 19.353 3.071 ( 19.259 12.093 7.358) 23.902 3.153 ( 4.929 7.327 7.632) 11.671 3.391 ( -15.482 5.824 5.302) 17.370 3.606 ( -8.085 13.900 -4.363) 16.662 3.737 ( -7.109 13.101 8.879) 17.350 3.970 ( -6.786 14.844 7.906) 18.136 4.182 ( 5.070 17.334 -5.485) 18.875 4.300 ( 9.882 8.623 -2.189) 13.296 4.352 ( 7.267 9.568 2.227) 12.220 4.498 ( 6.811 8.200 2.140) 10.873 4.709 ( -12.277 5.155 -4.981) 14.216 4.808 ( 20.557 15.055 1.818) 25.545 4.878 ( -6.209 3.397 -2.708) 7.579 5.038 ( 15.151 6.100 7.678) 18.047 5.085 ( 13.982 8.059 -10.690) 19.358 5.245 ( -7.823 12.215 -3.280) 14.872 5.358 ( -6.343 5.758 7.345) 11.285 5.502 ( -4.709 2.477 -6.342) 8.278 5.723 ( -3.469 4.789 -14.127) 15.315 5.794 ( -4.256 3.895 -9.312) 10.954 6.001 ( 8.642 6.721 -0.964) 10.991 6.094 ( 8.909 8.914 0.472) 12.612 6.163 ( 2.078 0.292 1.450) 2.551 6.212 ( -5.196 12.720 0.994) 13.776 6.285 ( -0.697 5.304 -0.408) 5.365 6.414 ( -1.441 6.392 -1.642) 6.755 6.468 ( -2.440 3.039 -4.344) 5.836 6.608 ( -8.625 2.727 -3.472) 9.689 6.864 ( -1.977 -0.689 15.241) 15.384 7.048 ( 1.424 2.563 13.285) 13.605 7.228 ( 5.460 3.577 0.684) 6.563 7.293 ( -3.888 6.328 0.351) 7.436 7.371 ( -3.622 7.243 0.952) 8.154 7.415 ( -2.358 6.451 1.355) 7.001 7.596 ( -2.190 0.638 -3.872) 4.495 7.645 ( -5.670 0.543 -6.032) 8.297 7.904 ( 2.664 -2.283 3.113) 4.691 8.017 ( 2.459 -1.906 5.669) 6.467 8.098 ( -3.890 -1.105 0.606) 4.089 8.129 ( -4.138 -4.107 1.446) 6.007 8.410 ( 5.702 3.516 3.077) 7.372 8.477 ( 1.424 -0.325 0.538) 1.556 8.588 ( 0.747 0.706 0.510) 1.147 8.672 ( -4.895 -3.308 -1.156) 6.020 8.929 ( 1.947 -1.688 0.809) 2.701 8.992 ( -0.029 -1.376 0.316) 1.412 9.156 ( -0.688 -4.298 -6.976) 8.222 9.204 ( -0.529 -2.413 -6.156) 6.633 9.668 ( 0.247 9.108 -0.419) 9.120 9.707 ( 2.397 9.689 -1.485) 10.091 9.754 ( -1.389 10.749 1.405) 10.929 9.834 ( -1.332 12.157 -0.534) 12.242 10.115 ( 6.855 11.269 1.856) 13.320 10.215 ( 9.970 14.609 -1.322) 17.736 10.280 ( -6.702 13.271 5.144) 15.732 10.483 ( -14.581 16.806 -1.552) 22.304 11.308 ( 0.828 -0.621 1.274) 1.641 11.337 ( -1.171 0.108 0.151) 1.186 11.447 ( 1.349 -1.478 -3.785) 4.281 11.487 ( -3.379 -1.214 -4.921) 6.092 12.133 ( 1.984 -2.526 7.896) 8.524 12.151 ( 0.517 -2.067 5.712) 6.097 12.339 ( 3.908 -3.842 -2.393) 5.980 12.382 ( -0.038 -3.999 -1.474) 4.262 13.571 ( 1.927 3.577 0.200) 4.068 13.602 ( 0.048 4.345 0.571) 4.383 13.708 ( -5.987 4.547 -3.335) 8.225 13.756 ( -8.909 3.353 -2.923) 9.957 14.330 ( 4.076 0.377 1.700) 4.433 14.351 ( 2.235 0.619 0.348) 2.345 14.371 ( 3.943 1.383 -0.433) 4.201 14.430 ( -1.503 0.765 -1.870) 2.518 15.297 ( 4.112 -0.457 3.452) 5.389 15.395 ( 1.657 0.167 2.017) 2.616 15.422 ( 0.985 0.637 2.322) 2.601 15.586 ( -9.798 0.183 -2.413) 10.093 15.880 ( 0.746 -0.485 -2.467) 2.623 15.919 ( -0.310 0.432 -1.198) 1.311 15.963 ( 1.164 -1.016 -5.792) 5.995 16.036 ( -0.559 -0.249 -4.499) 4.540 17.736 ( -1.504 -0.423 3.552) 3.880 17.769 ( -0.809 0.101 4.036) 4.118 17.866 ( 1.559 -1.085 -1.119) 2.205 17.894 ( -0.969 -1.533 -1.908) 2.632 18.349 ( 2.607 -0.479 7.129) 7.606 18.396 ( -1.645 -0.767 7.476) 7.693 18.575 ( 5.815 -2.250 -1.895) 6.517 18.656 ( -0.664 -3.409 -1.751) 3.890 18.778 ( -0.876 -2.811 -1.318) 3.225 18.816 ( -0.023 -2.588 -1.320) 2.905 18.848 ( -2.318 -2.348 -0.992) 3.445 18.945 ( -6.912 -3.175 -2.198) 7.917 19.158 ( 7.104 -2.340 9.500) 12.091 19.287 ( -4.430 -3.210 7.177) 9.024 19.589 ( 7.003 -5.733 -7.304) 11.630 19.670 ( 1.132 -4.434 -7.753) 9.003 19.892 ( 0.604 -8.153 0.531) 8.193 19.903 ( -0.649 -7.004 0.818) 7.081 19.932 ( -1.541 -7.269 0.524) 7.449 19.966 ( -0.814 -6.358 -0.122) 6.411 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 25.553 12.426) 28.414 1.711 ( 0.000 20.987 13.177) 24.781 2.383 ( 0.000 11.027 -14.686) 18.365 2.421 ( 0.000 12.999 -16.370) 20.903 2.696 ( 0.000 24.523 16.496) 29.555 3.041 ( 0.000 1.596 0.439) 1.656 3.050 ( 0.000 3.482 3.963) 5.275 3.232 ( 0.000 2.486 -3.235) 4.079 3.263 ( 0.000 1.559 1.198) 1.966 3.351 ( 0.000 5.466 4.249) 6.923 3.695 ( 0.000 7.639 3.390) 8.357 3.819 ( 0.000 16.184 -2.732) 16.413 3.971 ( 0.000 6.375 6.269) 8.941 4.032 ( 0.000 5.299 8.150) 9.721 4.157 ( 0.000 12.935 4.523) 13.703 4.350 ( 0.000 5.665 -9.134) 10.748 4.494 ( 0.000 6.517 -6.408) 9.140 4.649 ( 0.000 11.885 -8.557) 14.645 4.782 ( 0.000 13.317 4.624) 14.097 4.819 ( 0.000 18.767 -4.762) 19.362 5.101 ( 0.000 23.810 -7.436) 24.944 5.200 ( 0.000 6.855 -7.164) 9.916 5.266 ( 0.000 1.981 3.751) 4.242 5.342 ( 0.000 3.164 -0.564) 3.214 5.465 ( 0.000 3.101 1.882) 3.627 5.599 ( 0.000 9.060 -4.877) 10.289 5.733 ( 0.000 3.849 -1.843) 4.268 5.786 ( 0.000 -0.330 -3.896) 3.910 6.014 ( 0.000 6.813 5.785) 8.938 6.100 ( 0.000 9.031 5.565) 10.607 6.314 ( 0.000 9.069 1.262) 9.156 6.329 ( 0.000 6.781 0.306) 6.788 6.550 ( 0.000 18.075 -1.569) 18.143 6.570 ( 0.000 10.824 -5.677) 12.223 6.849 ( 0.000 14.031 0.927) 14.062 6.873 ( 0.000 11.118 -0.019) 11.118 7.045 ( 0.000 5.391 8.900) 10.406 7.211 ( 0.000 -0.553 8.892) 8.909 7.235 ( 0.000 0.540 11.522) 11.535 7.313 ( 0.000 3.314 -1.632) 3.694 7.463 ( 0.000 4.550 0.707) 4.605 7.571 ( 0.000 -1.680 0.018) 1.680 7.766 ( 0.000 4.121 -1.122) 4.271 7.937 ( 0.000 1.893 -5.492) 5.809 7.984 ( 0.000 1.253 -3.368) 3.593 8.028 ( 0.000 4.450 -1.899) 4.839 8.113 ( 0.000 4.470 -1.379) 4.678 8.132 ( 0.000 0.725 -4.048) 4.113 8.451 ( 0.000 4.078 3.458) 5.347 8.465 ( 0.000 1.006 1.351) 1.684 8.750 ( 0.000 -0.338 -0.912) 0.973 8.825 ( 0.000 7.597 -2.539) 8.010 8.872 ( 0.000 3.576 2.962) 4.643 8.915 ( 0.000 -1.360 1.092) 1.744 9.054 ( 0.000 -4.172 -2.267) 4.748 9.139 ( 0.000 -3.654 -5.054) 6.236 9.831 ( 0.000 10.433 -0.901) 10.472 9.906 ( 0.000 10.749 -3.494) 11.303 9.988 ( 0.000 11.139 5.105) 12.253 10.107 ( 0.000 10.840 1.252) 10.912 10.216 ( 0.000 11.497 -1.407) 11.583 10.219 ( 0.000 11.319 -4.073) 12.030 10.720 ( 0.000 10.174 11.468) 15.330 11.052 ( 0.000 1.792 13.634) 13.752 11.276 ( 0.000 -2.374 -5.029) 5.561 11.335 ( 0.000 0.231 -9.859) 9.862 11.339 ( 0.000 -1.040 1.527) 1.847 11.817 ( 0.000 -1.120 -12.222) 12.273 11.991 ( 0.000 -3.846 8.211) 9.068 12.075 ( 0.000 -3.149 -0.150) 3.153 12.209 ( 0.000 -1.106 -5.853) 5.957 12.230 ( 0.000 -4.486 -1.870) 4.860 13.703 ( 0.000 5.555 2.222) 5.983 13.942 ( 0.000 2.425 -8.601) 8.937 13.964 ( 0.000 1.331 2.260) 2.623 14.075 ( 0.000 2.521 -3.604) 4.398 14.175 ( 0.000 -0.013 1.313) 1.313 14.208 ( 0.000 1.068 0.463) 1.164 14.274 ( 0.000 3.030 0.015) 3.030 14.373 ( 0.000 1.311 -3.826) 4.044 15.244 ( 0.000 0.837 1.110) 1.391 15.267 ( 0.000 0.554 0.963) 1.111 15.547 ( 0.000 0.773 6.374) 6.421 15.757 ( 0.000 -1.898 -4.214) 4.622 15.865 ( 0.000 -2.145 -3.530) 4.131 15.881 ( 0.000 -0.516 -1.441) 1.531 16.001 ( 0.000 1.283 -2.159) 2.512 16.033 ( 0.000 0.810 -1.559) 1.757 17.742 ( 0.000 -2.514 0.475) 2.558 17.750 ( 0.000 -1.987 0.248) 2.002 17.793 ( 0.000 -1.968 0.996) 2.206 17.817 ( 0.000 -2.401 0.040) 2.401 18.361 ( 0.000 -1.081 11.373) 11.424 18.411 ( 0.000 -0.999 5.957) 6.040 18.539 ( 0.000 -2.396 10.952) 11.211 18.676 ( 0.000 -1.439 0.860) 1.676 18.685 ( 0.000 0.012 -4.114) 4.114 18.733 ( 0.000 -3.381 -1.706) 3.787 18.791 ( 0.000 -3.781 -2.662) 4.624 18.885 ( 0.000 -1.687 0.610) 1.794 19.007 ( 0.000 -4.338 0.252) 4.346 19.107 ( 0.000 -8.849 -4.749) 10.043 19.394 ( 0.000 -1.771 2.963) 3.452 19.532 ( 0.000 -4.347 -1.891) 4.740 19.595 ( 0.000 -6.104 4.918) 7.838 19.756 ( 0.000 -7.901 -2.767) 8.371 19.842 ( 0.000 -5.770 -0.298) 5.778 19.930 ( 0.000 -6.713 -2.552) 7.181 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 6.227 24.668 9.106) 27.022 1.858 ( 12.094 17.240 13.323) 24.920 2.335 ( -5.042 10.231 -14.550) 18.488 2.477 ( 5.060 13.548 -12.742) 19.275 2.729 ( -4.360 16.788 9.848) 19.946 2.863 ( -8.703 6.644 -2.948) 11.339 2.963 ( -0.539 10.933 2.660) 11.265 3.092 ( -11.762 6.140 10.234) 16.757 3.264 ( -8.003 8.252 2.278) 11.719 3.351 ( -2.819 5.311 1.784) 6.271 3.670 ( -0.976 8.505 0.047) 8.561 3.810 ( 1.890 5.387 -1.010) 5.798 3.978 ( 12.015 7.787 -2.453) 14.526 4.069 ( -12.844 0.936 -1.849) 13.010 4.231 ( 4.829 8.986 7.604) 12.723 4.336 ( 8.189 3.284 2.923) 9.295 4.616 ( 0.858 15.404 -7.106) 16.986 4.708 ( 0.476 9.613 -2.611) 9.973 4.816 ( 8.816 10.801 2.790) 14.219 4.895 ( 10.897 12.663 -4.109) 17.204 5.055 ( -7.607 7.617 -3.775) 11.408 5.141 ( 3.324 20.614 -4.143) 21.287 5.237 ( -1.818 10.325 -4.082) 11.251 5.381 ( 4.167 5.037 -1.112) 6.631 5.540 ( -2.650 4.621 -1.926) 5.665 5.687 ( 13.691 8.048 -4.144) 16.413 5.762 ( 4.777 -1.642 -1.710) 5.333 5.827 ( -0.949 9.295 2.251) 9.611 6.063 ( 1.852 9.388 5.811) 11.195 6.093 ( 3.278 4.348 0.634) 5.482 6.246 ( -6.813 6.667 -2.011) 9.742 6.387 ( 3.816 5.941 -3.309) 7.798 6.529 ( 1.872 14.903 0.227) 15.022 6.651 ( 2.044 15.493 -3.169) 15.946 6.765 ( -4.514 14.563 4.852) 16.000 6.858 ( -1.546 10.605 1.188) 10.783 7.009 ( -4.801 5.453 6.472) 9.730 7.097 ( -4.909 2.411 11.692) 12.908 7.248 ( -2.033 4.245 -2.054) 5.135 7.408 ( 5.063 3.272 4.309) 7.410 7.440 ( 2.711 2.966 -0.236) 4.025 7.663 ( 2.987 2.017 1.676) 3.975 7.705 ( -3.667 4.967 1.114) 6.274 7.815 ( -10.686 4.678 -0.287) 11.669 7.904 ( -7.857 2.656 -2.438) 8.644 7.963 ( -1.565 -3.080 -4.201) 5.439 8.092 ( -2.908 -0.847 -2.931) 4.214 8.147 ( -2.229 -1.951 -1.598) 3.365 8.389 ( 3.931 4.743 3.950) 7.318 8.583 ( -4.266 3.537 -0.369) 5.554 8.647 ( -5.713 0.896 -0.517) 5.806 8.755 ( -2.603 3.007 -0.711) 4.040 8.837 ( 0.417 -0.417 1.168) 1.308 8.961 ( 1.861 -1.171 -0.618) 2.284 9.104 ( 1.827 -0.461 -3.823) 4.262 9.148 ( 1.235 -1.827 -3.320) 3.986 9.850 ( 1.832 10.534 -0.785) 10.721 9.903 ( -0.302 10.679 -2.396) 10.949 9.997 ( 0.322 11.339 2.968) 11.725 10.114 ( -0.148 11.747 0.014) 11.748 10.226 ( 3.330 10.839 -1.145) 11.396 10.303 ( 7.428 11.583 -1.357) 13.827 10.671 ( -5.046 10.839 10.360) 15.819 10.953 ( -8.642 4.375 6.179) 11.490 11.278 ( -0.136 -2.205 -0.340) 2.235 11.323 ( 0.444 -1.444 -3.477) 3.791 11.389 ( 2.417 -0.828 -4.690) 5.340 11.690 ( -12.094 1.357 -11.462) 16.718 12.019 ( 2.864 -3.164 7.816) 8.905 12.098 ( 0.506 -2.507 1.471) 2.950 12.176 ( 2.008 -3.431 -2.269) 4.577 12.272 ( 1.746 -4.533 -1.252) 5.016 13.669 ( -2.251 5.141 1.821) 5.901 13.784 ( -7.935 4.308 0.466) 9.041 13.931 ( -6.129 3.210 -5.753) 8.998 13.999 ( -8.924 1.937 -3.769) 9.879 14.234 ( 6.169 0.611 3.048) 6.908 14.282 ( 5.859 1.627 0.708) 6.122 14.319 ( 4.602 2.159 -0.205) 5.088 14.428 ( 2.946 0.855 -3.185) 4.422 15.243 ( 0.822 0.193 2.107) 2.270 15.312 ( 3.955 0.817 -0.270) 4.048 15.508 ( -3.859 0.518 5.830) 7.011 15.723 ( -4.524 -1.483 -3.994) 6.215 15.857 ( -0.446 -0.944 -1.536) 1.858 15.888 ( 1.536 -1.212 -2.985) 3.569 15.977 ( -1.315 1.694 -1.413) 2.568 16.043 ( 0.049 0.356 -2.777) 2.801 17.747 ( -0.664 -1.550 2.083) 2.680 17.764 ( 0.481 -1.752 0.700) 1.947 17.804 ( 1.945 -1.634 -0.188) 2.548 17.838 ( 1.579 -2.746 -0.774) 3.261 18.321 ( -1.044 -0.225 7.619) 7.694 18.408 ( -2.302 -0.892 6.456) 6.912 18.488 ( 0.365 -0.852 4.329) 4.427 18.607 ( -2.344 -2.122 -0.559) 3.210 18.715 ( 0.054 -3.051 -0.423) 3.081 18.788 ( -0.318 -3.406 -1.774) 3.853 18.816 ( 1.045 -3.052 -1.636) 3.617 18.941 ( 1.687 -4.480 1.342) 4.972 19.006 ( -1.154 -5.231 1.006) 5.451 19.149 ( 8.787 -4.550 -1.733) 10.046 19.397 ( -0.452 -3.388 2.281) 4.109 19.530 ( 1.656 -4.916 -1.507) 5.402 19.659 ( 4.437 -6.764 1.192) 8.177 19.765 ( 0.743 -8.048 -1.784) 8.277 19.824 ( -1.917 -6.070 -0.416) 6.379 19.891 ( -3.540 -6.518 -2.038) 7.692 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 10.259 16.574 3.296) 19.769 2.154 ( 17.087 12.994 11.628) 24.413 2.226 ( -4.963 13.008 -0.348) 13.927 2.405 ( -11.536 13.968 -7.556) 19.628 2.575 ( -14.324 8.828 9.168) 19.162 2.766 ( 3.576 14.568 -7.444) 16.746 2.871 ( 1.588 13.588 -11.634) 17.958 3.022 ( -12.158 13.819 -3.459) 18.728 3.281 ( 8.719 7.423 6.474) 13.154 3.306 ( 7.997 8.178 5.690) 12.776 3.495 ( -9.880 5.197 6.123) 12.733 3.754 ( -16.641 3.251 -3.297) 17.274 4.003 ( 9.284 9.296 5.473) 14.233 4.183 ( -3.699 5.561 4.616) 8.119 4.335 ( 11.566 2.647 2.463) 12.118 4.442 ( 12.232 7.369 -6.268) 15.595 4.568 ( -6.605 7.282 -3.023) 10.286 4.714 ( -6.812 10.036 0.331) 12.134 4.905 ( -4.813 2.514 -8.073) 9.729 4.918 ( 3.239 12.342 2.983) 13.104 5.166 ( 0.842 10.865 -6.878) 12.887 5.218 ( 13.505 7.968 3.605) 16.090 5.280 ( 7.003 9.222 2.486) 11.843 5.479 ( 0.154 15.485 -1.831) 15.594 5.540 ( 2.492 10.262 -2.852) 10.938 5.705 ( -7.483 11.287 3.366) 13.954 5.846 ( 4.191 9.740 -10.530) 14.944 5.916 ( 5.644 10.862 -4.661) 13.098 6.081 ( 1.114 4.610 4.400) 6.469 6.115 ( -2.228 -1.359 0.566) 2.671 6.231 ( 3.998 6.238 -3.064) 8.017 6.400 ( -1.924 2.557 -5.637) 6.482 6.557 ( 3.067 17.194 -0.475) 17.472 6.658 ( -1.611 17.429 -2.647) 17.703 6.671 ( -4.697 17.451 2.675) 18.269 6.813 ( -4.347 13.328 2.280) 14.203 6.871 ( -4.798 3.724 11.912) 13.371 7.121 ( 3.404 4.926 12.842) 14.169 7.285 ( 7.622 2.705 -0.412) 8.099 7.410 ( -2.703 4.614 -1.511) 5.557 7.501 ( -1.487 5.540 1.725) 5.989 7.572 ( -4.164 7.935 0.556) 8.978 7.649 ( -2.265 5.127 -0.377) 5.618 7.688 ( -5.677 3.500 -4.089) 7.823 7.841 ( 1.871 -2.789 1.633) 3.734 7.954 ( 1.129 -2.468 2.723) 3.844 8.029 ( -2.014 -4.297 0.274) 4.753 8.072 ( -4.708 -1.874 -1.271) 5.224 8.450 ( -3.224 -0.493 1.565) 3.617 8.480 ( -0.196 -0.165 0.841) 0.879 8.572 ( 2.096 -1.367 -0.724) 2.605 8.679 ( -5.602 3.079 -2.423) 6.836 8.918 ( 4.854 0.915 0.997) 5.040 8.980 ( -0.558 0.102 -0.161) 0.590 9.100 ( -0.649 -0.061 -5.369) 5.409 9.172 ( 0.501 -0.087 -3.796) 3.830 9.873 ( 0.035 10.308 -1.280) 10.387 9.922 ( 2.481 10.841 -2.639) 11.430 9.986 ( -1.444 11.420 1.859) 11.660 10.092 ( -1.212 12.314 -0.775) 12.398 10.349 ( 8.053 10.919 3.618) 14.041 10.487 ( 9.665 11.402 -0.723) 14.964 10.540 ( -6.786 11.503 6.578) 14.887 10.753 ( -11.249 9.580 0.643) 14.790 11.285 ( 0.844 -1.590 -0.398) 1.844 11.335 ( 0.830 -0.708 -1.536) 1.884 11.417 ( 0.631 -1.531 -4.186) 4.502 11.470 ( -7.836 -0.162 -5.845) 9.777 12.073 ( 1.878 -3.244 5.745) 6.860 12.107 ( 0.519 -2.223 5.215) 5.693 12.247 ( 3.510 -5.134 -2.026) 6.541 12.288 ( -0.330 -4.836 -1.220) 4.999 13.652 ( 0.436 4.232 0.616) 4.299 13.699 ( -0.632 4.994 1.245) 5.185 13.796 ( -6.385 3.826 -3.549) 8.247 13.839 ( -5.455 4.593 -2.233) 7.472 14.339 ( 3.648 0.448 1.461) 3.955 14.373 ( 2.278 1.676 1.169) 3.060 14.403 ( 3.708 1.634 -0.987) 4.170 14.452 ( -0.583 1.427 -1.895) 2.443 15.289 ( 3.760 -0.256 3.141) 4.906 15.397 ( -1.181 0.073 2.819) 3.057 15.435 ( 3.090 0.417 0.358) 3.138 15.585 ( -8.645 -0.365 -2.827) 9.103 15.870 ( 1.074 -0.430 -1.622) 1.993 15.920 ( 1.244 -0.192 -1.167) 1.717 15.958 ( -0.626 0.566 -3.488) 3.588 16.033 ( -0.737 0.019 -3.050) 3.138 17.726 ( -0.890 -0.537 2.453) 2.664 17.766 ( -0.020 -0.386 3.136) 3.160 17.839 ( 1.264 -1.581 -1.224) 2.365 17.856 ( 0.023 -2.185 -1.482) 2.641 18.340 ( 2.208 -0.402 5.978) 6.385 18.379 ( -1.352 -0.897 5.792) 6.015 18.524 ( 3.000 -2.623 -0.793) 4.064 18.583 ( -0.993 -3.651 -1.552) 4.090 18.715 ( -1.158 -2.994 -0.863) 3.324 18.760 ( -0.288 -2.774 -0.368) 2.813 18.799 ( -0.487 -2.428 -1.378) 2.834 18.865 ( -4.932 -4.459 -2.229) 7.012 19.102 ( 6.946 -3.147 7.927) 11.000 19.218 ( -3.595 -3.488 5.999) 7.815 19.466 ( 7.483 -6.192 -5.246) 11.039 19.563 ( -0.156 -5.970 -6.445) 8.787 19.725 ( 1.631 -7.503 0.439) 7.690 19.761 ( -2.837 -6.935 0.472) 7.508 19.781 ( 0.245 -7.205 -0.303) 7.216 19.830 ( -2.004 -6.629 -0.915) 6.986 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 20.309 3.913) 20.683 2.220 ( 0.000 25.386 6.170) 26.125 2.604 ( 0.000 10.938 -10.081) 14.875 2.605 ( 0.000 6.053 -14.641) 15.843 2.988 ( 0.000 1.958 3.630) 4.125 3.006 ( 0.000 -2.451 1.381) 2.813 3.163 ( 0.000 11.072 14.441) 18.197 3.354 ( 0.000 4.442 4.796) 6.537 3.365 ( 0.000 6.448 3.841) 7.506 3.433 ( 0.000 5.530 1.186) 5.655 3.837 ( 0.000 6.277 -1.161) 6.384 4.034 ( 0.000 4.250 -4.726) 6.356 4.072 ( 0.000 5.751 6.721) 8.845 4.148 ( 0.000 7.041 7.029) 9.950 4.405 ( 0.000 10.116 -0.944) 10.160 4.466 ( 0.000 5.834 -5.987) 8.359 4.647 ( 0.000 7.791 -4.087) 8.798 4.768 ( 0.000 2.726 -10.097) 10.458 4.926 ( 0.000 2.394 4.702) 5.277 5.024 ( 0.000 1.275 1.913) 2.299 5.181 ( 0.000 -7.311 -0.776) 7.352 5.277 ( 0.000 -3.634 -6.591) 7.526 5.488 ( 0.000 8.201 -3.006) 8.734 5.496 ( 0.000 7.831 -0.678) 7.861 5.547 ( 0.000 8.755 -0.808) 8.793 5.671 ( 0.000 5.643 -7.947) 9.747 5.826 ( 0.000 4.057 0.909) 4.157 5.985 ( 0.000 14.413 -0.308) 14.417 6.213 ( 0.000 10.522 4.533) 11.456 6.285 ( 0.000 -2.085 -5.098) 5.508 6.431 ( 0.000 14.482 5.564) 15.515 6.491 ( 0.000 7.231 -1.327) 7.351 6.768 ( 0.000 8.635 11.190) 14.134 6.891 ( 0.000 11.375 0.115) 11.376 7.010 ( 0.000 0.470 2.450) 2.495 7.171 ( 0.000 14.377 -0.574) 14.388 7.272 ( 0.000 7.972 8.893) 11.943 7.324 ( 0.000 16.119 3.266) 16.446 7.358 ( 0.000 6.370 2.347) 6.789 7.384 ( 0.000 13.567 3.121) 13.922 7.590 ( 0.000 9.439 0.339) 9.445 7.593 ( 0.000 1.610 -2.099) 2.645 7.852 ( 0.000 6.007 -4.888) 7.745 7.859 ( 0.000 -4.921 -7.913) 9.318 8.108 ( 0.000 7.803 -0.287) 7.808 8.125 ( 0.000 5.277 -1.157) 5.402 8.185 ( 0.000 4.701 -1.791) 5.031 8.204 ( 0.000 4.875 -1.079) 4.993 8.534 ( 0.000 4.743 2.341) 5.289 8.580 ( 0.000 6.836 3.297) 7.590 8.664 ( 0.000 -2.464 -0.735) 2.572 8.793 ( 0.000 -2.752 -2.995) 4.067 8.996 ( 0.000 0.961 0.445) 1.059 9.035 ( 0.000 7.908 0.259) 7.913 9.079 ( 0.000 8.109 -1.318) 8.215 9.110 ( 0.000 1.963 -4.307) 4.734 10.036 ( 0.000 9.341 -0.571) 9.359 10.112 ( 0.000 9.068 -3.580) 9.749 10.200 ( 0.000 9.267 4.556) 10.326 10.302 ( 0.000 8.038 2.706) 8.481 10.420 ( 0.000 8.073 -4.709) 9.346 10.427 ( 0.000 8.854 -1.489) 8.978 10.866 ( 0.000 4.603 8.982) 10.092 11.076 ( 0.000 0.321 10.028) 10.033 11.213 ( 0.000 -3.409 -3.374) 4.796 11.324 ( 0.000 -1.206 -7.457) 7.554 11.327 ( 0.000 -0.361 3.605) 3.623 11.735 ( 0.000 -6.484 -7.224) 9.708 11.930 ( 0.000 -2.215 6.218) 6.600 12.012 ( 0.000 -3.091 -0.098) 3.092 12.136 ( 0.000 -4.379 -1.269) 4.559 12.180 ( 0.000 -1.913 -6.260) 6.546 13.811 ( 0.000 4.832 2.219) 5.317 13.971 ( 0.000 0.775 -4.077) 4.150 13.997 ( 0.000 1.831 1.819) 2.581 14.118 ( 0.000 1.502 -3.131) 3.473 14.177 ( 0.000 0.315 0.650) 0.722 14.231 ( 0.000 1.082 0.088) 1.086 14.348 ( 0.000 3.981 0.325) 3.994 14.407 ( 0.000 2.008 -2.629) 3.308 15.263 ( 0.000 0.965 0.340) 1.023 15.279 ( 0.000 0.611 0.473) 0.773 15.565 ( 0.000 0.974 5.285) 5.374 15.721 ( 0.000 -1.579 -3.215) 3.582 15.827 ( 0.000 -1.531 -2.128) 2.621 15.865 ( 0.000 -1.027 -1.493) 1.812 16.034 ( 0.000 1.893 -1.083) 2.181 16.057 ( 0.000 1.434 -1.004) 1.751 17.693 ( 0.000 -2.238 0.789) 2.373 17.710 ( 0.000 -1.932 0.294) 1.955 17.752 ( 0.000 -1.960 0.538) 2.032 17.768 ( 0.000 -2.309 -0.061) 2.310 18.339 ( 0.000 -0.613 9.920) 9.939 18.391 ( 0.000 -0.917 4.345) 4.441 18.529 ( 0.000 0.658 5.200) 5.242 18.619 ( 0.000 -3.939 -3.197) 5.073 18.671 ( 0.000 -1.942 -2.521) 3.182 18.688 ( 0.000 -1.182 1.735) 2.100 18.710 ( 0.000 -3.411 -3.520) 4.902 18.830 ( 0.000 -3.580 -1.370) 3.833 18.913 ( 0.000 -4.662 1.161) 4.805 18.962 ( 0.000 -5.281 -2.490) 5.838 19.359 ( 0.000 -1.724 0.764) 1.886 19.444 ( 0.000 -4.153 -1.587) 4.446 19.484 ( 0.000 -4.652 3.702) 5.945 19.608 ( 0.000 -6.474 -2.248) 6.854 19.728 ( 0.000 -5.195 -0.043) 5.196 19.793 ( 0.000 -6.420 -2.146) 6.769 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 5.037 17.511 6.057) 19.202 2.240 ( 2.658 22.880 5.715) 23.732 2.543 ( -3.808 10.312 -7.154) 13.116 2.670 ( 5.379 5.970 -11.228) 13.807 2.892 ( -7.229 3.820 0.770) 8.213 3.010 ( -2.081 6.296 -4.018) 7.754 3.186 ( 5.726 8.828 11.004) 15.226 3.227 ( -11.832 6.307 5.707) 14.572 3.413 ( 0.648 7.488 3.396) 8.248 3.476 ( 1.420 5.389 0.633) 5.609 3.774 ( -10.693 4.246 3.842) 12.130 3.929 ( 6.645 6.532 0.742) 9.347 4.086 ( -11.434 2.561 1.507) 11.814 4.140 ( 3.154 4.392 -8.180) 9.805 4.364 ( -4.182 4.045 3.475) 6.777 4.437 ( 6.304 7.254 3.901) 10.372 4.779 ( 1.127 4.362 -9.621) 10.624 4.861 ( 5.791 3.017 -8.123) 10.423 4.954 ( 4.807 3.761 2.695) 6.672 5.031 ( -0.029 1.455 1.689) 2.229 5.118 ( -0.637 -1.260 2.132) 2.557 5.313 ( 3.604 -0.096 -5.984) 6.986 5.423 ( -3.351 6.252 -3.940) 8.114 5.573 ( 3.675 3.777 0.032) 5.270 5.652 ( 6.759 5.151 -1.169) 8.578 5.745 ( 9.385 8.749 -3.499) 13.299 5.883 ( 5.582 6.642 0.869) 8.719 6.035 ( 2.784 9.326 -1.558) 9.857 6.216 ( -1.144 7.501 5.956) 9.646 6.330 ( 3.939 0.752 -2.195) 4.572 6.428 ( 1.860 19.819 2.728) 20.092 6.493 ( 0.087 9.671 -3.446) 10.267 6.794 ( 1.915 6.289 8.319) 10.603 6.880 ( -2.056 5.686 -0.048) 6.047 6.978 ( 1.170 8.632 4.130) 9.641 7.160 ( -7.156 15.778 2.723) 17.538 7.209 ( -2.005 9.889 3.874) 10.808 7.239 ( -0.114 11.277 7.317) 13.443 7.412 ( -1.503 10.755 -2.007) 11.043 7.502 ( 6.349 6.486 1.317) 9.172 7.549 ( 3.451 9.964 0.625) 10.563 7.713 ( 4.703 3.355 1.176) 5.896 7.775 ( -5.570 0.253 -3.284) 6.471 7.878 ( 1.046 2.833 -6.556) 7.218 7.966 ( -10.074 8.034 -0.164) 12.887 8.028 ( -9.227 7.569 -2.748) 12.246 8.118 ( -6.046 4.480 0.042) 7.525 8.152 ( -4.767 2.772 0.701) 5.559 8.473 ( 1.129 2.631 -0.681) 2.943 8.538 ( -7.572 -4.053 -1.742) 8.763 8.733 ( -11.692 6.047 3.084) 13.520 8.807 ( 9.441 3.948 1.044) 10.286 8.876 ( -1.266 2.249 -1.015) 2.773 8.969 ( -2.918 2.917 -4.662) 6.226 9.148 ( 2.512 3.880 -0.952) 4.719 9.180 ( 2.851 4.500 -1.595) 5.561 10.053 ( 1.426 8.961 -0.567) 9.092 10.108 ( -0.152 9.126 -2.646) 9.503 10.212 ( 0.536 9.423 2.795) 9.843 10.322 ( 1.003 8.327 1.160) 8.467 10.425 ( 2.681 8.362 -1.552) 8.918 10.509 ( 7.248 8.293 -1.260) 11.086 10.835 ( -3.484 5.410 8.876) 10.964 11.013 ( -5.553 1.691 6.098) 8.419 11.224 ( 0.826 -3.101 -2.014) 3.789 11.289 ( -0.917 -1.629 -2.056) 2.779 11.366 ( 1.455 -1.343 -1.949) 2.778 11.662 ( -7.984 -4.104 -8.409) 12.300 11.960 ( 2.615 -2.591 5.147) 6.328 12.041 ( 2.184 -3.010 0.892) 3.825 12.108 ( -0.989 -3.182 -2.452) 4.137 12.185 ( 0.763 -3.690 -1.254) 3.971 13.770 ( -2.854 4.471 1.751) 5.586 13.862 ( -5.993 3.304 0.290) 6.850 13.976 ( -4.356 1.588 -3.028) 5.538 14.046 ( -6.964 2.336 -2.732) 7.837 14.247 ( 6.419 0.740 1.755) 6.696 14.315 ( 6.371 1.445 -0.284) 6.539 14.374 ( 3.005 3.179 0.907) 4.468 14.453 ( 2.923 1.581 -2.414) 4.107 15.249 ( 0.219 0.486 1.642) 1.726 15.326 ( 3.563 0.435 -1.063) 3.743 15.520 ( -4.333 0.731 4.882) 6.568 15.692 ( -3.937 -1.550 -3.148) 5.274 15.834 ( 0.746 -1.060 -1.255) 1.805 15.872 ( 1.726 -0.520 -1.628) 2.429 16.015 ( -1.565 1.901 -0.830) 2.599 16.057 ( -0.496 0.993 -1.574) 1.925 17.713 ( 0.412 -1.727 1.416) 2.271 17.725 ( 1.848 -1.940 0.490) 2.723 17.770 ( 2.202 -1.715 -0.233) 2.800 17.783 ( 1.158 -2.424 -0.290) 2.702 18.319 ( -0.649 0.150 6.620) 6.653 18.390 ( -1.366 -0.741 4.867) 5.109 18.474 ( -1.531 -0.538 2.498) 2.979 18.559 ( -3.732 -2.791 -2.259) 5.179 18.663 ( 0.213 -1.793 0.367) 1.843 18.712 ( 0.247 -3.687 -0.916) 3.807 18.762 ( 0.756 -2.435 -1.930) 3.198 18.835 ( -1.780 -5.277 -2.765) 6.218 18.919 ( 3.399 -3.602 4.070) 6.410 19.059 ( 8.753 -4.442 -1.670) 9.957 19.336 ( -3.028 -2.802 1.452) 4.373 19.428 ( 0.515 -4.945 -0.496) 4.996 19.537 ( 3.609 -5.097 -0.316) 6.253 19.614 ( 0.645 -6.585 -1.519) 6.789 19.706 ( -2.378 -5.237 0.005) 5.751 19.763 ( -2.753 -5.852 -1.738) 6.697 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.508 14.332 3.738) 14.820 2.395 ( 10.543 10.667 8.040) 17.017 2.538 ( 2.213 16.369 6.190) 17.639 2.646 ( -6.795 8.583 -5.055) 12.058 2.771 ( -7.775 12.041 1.229) 14.386 3.007 ( 1.913 9.801 -9.727) 13.941 3.085 ( 3.769 7.640 -6.784) 10.891 3.255 ( -11.561 7.802 -6.929) 15.574 3.369 ( 7.435 1.434 7.486) 10.648 3.498 ( 0.423 11.397 2.355) 11.645 3.610 ( -3.089 6.011 5.584) 8.767 3.789 ( -14.189 1.080 -1.369) 14.296 4.120 ( 6.885 3.245 5.198) 9.217 4.226 ( -0.511 -0.056 4.457) 4.486 4.406 ( 11.377 4.124 0.724) 12.123 4.563 ( 8.847 4.752 -3.559) 10.654 4.674 ( -9.749 3.542 -3.416) 10.920 4.826 ( -10.592 1.074 0.504) 10.659 4.949 ( -0.641 1.660 -12.629) 12.754 5.118 ( 4.890 4.747 -0.711) 6.852 5.214 ( 5.545 -2.197 0.399) 5.978 5.353 ( 1.815 5.672 -6.844) 9.072 5.410 ( -0.249 3.711 6.157) 7.193 5.658 ( 3.677 1.519 -1.241) 4.167 5.784 ( 5.411 9.170 0.838) 10.680 5.916 ( 6.533 3.289 0.588) 7.338 5.975 ( 2.818 3.297 1.986) 4.770 6.028 ( -3.839 5.022 -0.567) 6.346 6.198 ( 0.364 12.295 1.254) 12.364 6.357 ( 0.973 9.933 6.483) 11.901 6.478 ( -0.832 15.460 -8.540) 17.682 6.583 ( 8.136 19.199 -4.946) 21.430 6.776 ( -0.684 4.500 3.494) 5.738 6.896 ( 1.359 4.297 6.622) 8.011 6.971 ( -5.394 9.003 5.216) 11.720 7.076 ( 0.603 16.160 -3.176) 16.480 7.130 ( -3.316 13.908 6.269) 15.612 7.270 ( 0.539 10.004 6.439) 11.909 7.394 ( 2.430 5.843 -2.190) 6.696 7.513 ( -3.306 9.063 2.987) 10.099 7.605 ( -1.899 4.829 1.554) 5.417 7.700 ( 0.246 3.549 1.181) 3.748 7.770 ( -2.151 5.336 -3.087) 6.529 7.806 ( -2.208 9.495 -0.856) 9.786 7.851 ( 0.032 4.855 -1.334) 5.035 7.974 ( 0.358 0.612 -2.627) 2.721 8.010 ( -2.859 8.496 -0.991) 9.019 8.063 ( -3.846 2.348 -1.686) 4.812 8.401 ( -2.676 -2.484 1.053) 3.800 8.490 ( -8.311 2.167 4.278) 9.595 8.571 ( 4.943 0.658 -4.492) 6.711 8.731 ( -8.691 2.970 -4.680) 10.308 8.975 ( 5.526 4.529 1.329) 7.267 9.019 ( 2.958 3.891 0.962) 4.982 9.146 ( -1.430 3.595 -2.877) 4.821 9.204 ( -0.034 2.806 -2.093) 3.501 10.066 ( -0.092 8.214 -1.475) 8.346 10.131 ( 2.266 9.319 -3.223) 10.118 10.203 ( -1.413 9.423 2.294) 9.801 10.315 ( -0.773 9.244 -0.639) 9.299 10.542 ( 7.879 7.729 4.485) 11.914 10.671 ( 6.654 6.756 0.747) 9.512 10.733 ( -5.172 7.214 5.952) 10.687 10.891 ( -6.451 4.499 2.018) 8.120 11.236 ( 0.228 -3.235 -2.666) 4.198 11.310 ( 3.728 -1.609 -1.827) 4.452 11.381 ( 0.255 -2.007 -2.599) 3.293 11.466 ( -10.008 -0.997 -6.926) 12.211 12.006 ( 1.536 -3.229 3.330) 4.886 12.064 ( 0.560 -1.833 4.444) 4.840 12.135 ( 1.980 -5.568 -2.161) 6.292 12.198 ( 0.252 -3.938 -0.247) 3.954 13.737 ( -0.427 4.012 0.360) 4.051 13.798 ( -0.122 4.450 0.945) 4.551 13.865 ( -5.608 3.036 -2.265) 6.768 13.929 ( -3.875 3.960 -1.181) 5.665 14.350 ( 3.153 0.631 0.527) 3.258 14.416 ( 3.038 2.233 1.072) 3.920 14.434 ( 2.324 1.550 -0.912) 2.939 14.489 ( 0.650 2.143 -1.139) 2.512 15.288 ( 3.583 0.143 2.649) 4.458 15.399 ( -1.283 0.095 2.133) 2.491 15.436 ( 1.903 -0.285 -0.144) 1.930 15.569 ( -7.720 -1.137 -2.716) 8.262 15.866 ( 1.777 0.021 -0.668) 1.898 15.919 ( 2.612 0.157 -0.779) 2.731 15.976 ( -2.398 1.045 -1.826) 3.190 16.039 ( -0.917 0.611 -1.752) 2.069 17.713 ( -0.118 -0.729 1.436) 1.614 17.753 ( 0.765 -0.842 2.190) 2.468 17.799 ( 0.427 -2.351 -1.507) 2.825 17.813 ( 1.310 -1.862 -0.449) 2.320 18.333 ( 1.663 -0.237 4.556) 4.856 18.365 ( -0.981 -0.288 3.765) 3.902 18.471 ( 0.399 -2.546 -0.016) 2.577 18.511 ( -1.234 -3.304 -1.426) 3.805 18.665 ( -0.423 -1.723 -0.179) 1.783 18.706 ( 0.137 -2.523 -0.438) 2.564 18.747 ( -0.774 -2.866 -0.486) 3.009 18.777 ( -2.808 -3.532 -2.291) 5.061 19.032 ( 6.793 -3.581 6.164) 9.847 19.145 ( -3.121 -3.668 4.317) 6.468 19.337 ( 5.457 -6.545 -4.063) 9.440 19.428 ( -1.855 -7.152 -4.909) 8.870 19.593 ( 1.649 -5.304 0.064) 5.555 19.632 ( -1.023 -5.482 0.087) 5.578 19.650 ( 0.175 -5.300 0.095) 5.304 19.706 ( -2.901 -5.318 -1.254) 6.186 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 14.139 -0.755) 14.159 2.669 ( 0.000 11.418 -4.053) 12.116 2.716 ( 0.000 10.457 -4.339) 11.322 2.824 ( 0.000 9.954 -6.205) 11.729 2.991 ( 0.000 2.043 2.900) 3.548 3.001 ( 0.000 1.364 1.333) 1.907 3.346 ( 0.000 6.350 13.516) 14.933 3.374 ( 0.000 0.448 8.572) 8.584 3.498 ( 0.000 7.183 3.030) 7.796 3.601 ( 0.000 8.542 -1.845) 8.739 3.916 ( 0.000 1.453 -2.006) 2.477 4.059 ( 0.000 -0.940 -4.750) 4.842 4.258 ( 0.000 11.825 5.607) 13.087 4.274 ( 0.000 4.974 4.509) 6.714 4.548 ( 0.000 3.576 -5.427) 6.499 4.571 ( 0.000 3.352 -4.504) 5.615 4.748 ( 0.000 -1.618 -6.029) 6.243 4.763 ( 0.000 -3.438 -4.870) 5.962 4.910 ( 0.000 -0.876 2.962) 3.089 5.009 ( 0.000 -0.411 2.827) 2.856 5.087 ( 0.000 0.023 5.412) 5.412 5.198 ( 0.000 -3.012 -7.480) 8.063 5.550 ( 0.000 1.650 -3.057) 3.474 5.553 ( 0.000 1.751 -6.336) 6.573 5.722 ( 0.000 5.443 8.426) 10.031 5.785 ( 0.000 2.976 -5.433) 6.195 5.873 ( 0.000 1.262 -5.381) 5.527 6.123 ( 0.000 -5.967 -7.836) 9.849 6.332 ( 0.000 11.009 5.535) 12.322 6.363 ( 0.000 2.949 6.394) 7.042 6.530 ( 0.000 -2.557 6.421) 6.911 6.609 ( 0.000 0.566 8.980) 8.998 6.960 ( 0.000 -2.743 5.188) 5.868 7.010 ( 0.000 2.148 1.347) 2.536 7.051 ( 0.000 17.260 4.422) 17.818 7.363 ( 0.000 6.249 -2.814) 6.853 7.457 ( 0.000 7.543 1.450) 7.681 7.528 ( 0.000 3.393 -0.507) 3.431 7.581 ( 0.000 2.639 -3.694) 4.540 7.624 ( 0.000 9.891 0.712) 9.916 7.680 ( 0.000 15.130 1.439) 15.198 7.720 ( 0.000 -2.336 -6.661) 7.059 7.940 ( 0.000 15.557 0.881) 15.581 8.044 ( 0.000 11.497 -4.896) 12.496 8.235 ( 0.000 5.698 1.384) 5.864 8.270 ( 0.000 7.182 0.678) 7.214 8.329 ( 0.000 8.411 0.705) 8.441 8.337 ( 0.000 7.931 -0.487) 7.946 8.613 ( 0.000 3.411 -0.538) 3.454 8.638 ( 0.000 3.255 -1.065) 3.425 8.773 ( 0.000 8.667 1.148) 8.743 8.832 ( 0.000 6.074 -1.541) 6.266 9.049 ( 0.000 5.257 2.420) 5.788 9.167 ( 0.000 5.129 0.347) 5.140 9.226 ( 0.000 5.489 -1.392) 5.663 9.229 ( 0.000 8.924 -5.411) 10.436 10.202 ( 0.000 6.732 0.432) 6.746 10.270 ( 0.000 6.350 -2.469) 6.813 10.360 ( 0.000 6.408 2.947) 7.053 10.424 ( 0.000 3.703 2.728) 4.599 10.553 ( 0.000 5.406 -2.893) 6.131 10.570 ( 0.000 5.201 -1.130) 5.322 10.927 ( 0.000 1.649 6.272) 6.485 11.069 ( 0.000 -0.824 5.057) 5.123 11.142 ( 0.000 -3.413 -4.079) 5.318 11.294 ( 0.000 -1.559 -4.017) 4.309 11.310 ( 0.000 -1.394 4.215) 4.439 11.567 ( 0.000 -9.799 -4.706) 10.871 11.895 ( 0.000 -1.217 3.790) 3.981 11.951 ( 0.000 -2.762 -0.747) 2.862 12.063 ( 0.000 -2.639 0.061) 2.640 12.129 ( 0.000 -2.973 -4.737) 5.593 13.894 ( 0.000 3.191 1.699) 3.615 13.980 ( 0.000 0.160 -1.878) 1.885 14.037 ( 0.000 2.054 1.369) 2.468 14.134 ( 0.000 0.163 -0.406) 0.438 14.192 ( 0.000 1.128 -1.668) 2.013 14.249 ( 0.000 0.551 -0.955) 1.102 14.427 ( 0.000 3.564 0.954) 3.689 14.453 ( 0.000 2.307 -0.802) 2.442 15.282 ( 0.000 0.860 -0.207) 0.884 15.291 ( 0.000 0.552 0.069) 0.556 15.587 ( 0.000 1.132 3.862) 4.025 15.692 ( 0.000 -1.341 -2.085) 2.479 15.804 ( 0.000 -0.663 -0.918) 1.132 15.842 ( 0.000 -1.151 -0.948) 1.491 16.073 ( 0.000 1.824 -0.362) 1.860 16.088 ( 0.000 1.442 -0.478) 1.519 17.653 ( 0.000 -1.594 0.942) 1.851 17.672 ( 0.000 -1.734 0.492) 1.802 17.716 ( 0.000 -1.496 0.204) 1.510 17.726 ( 0.000 -1.796 -0.104) 1.799 18.343 ( 0.000 0.891 5.940) 6.007 18.374 ( 0.000 -0.748 2.653) 2.756 18.522 ( 0.000 -3.169 -1.894) 3.692 18.562 ( 0.000 0.288 2.568) 2.584 18.597 ( 0.000 -4.110 -2.712) 4.925 18.668 ( 0.000 -1.691 -1.635) 2.353 18.672 ( 0.000 -0.397 0.794) 0.888 18.757 ( 0.000 -3.117 -2.551) 4.028 18.825 ( 0.000 -3.777 1.473) 4.054 18.874 ( 0.000 -3.763 -0.853) 3.858 19.320 ( 0.000 -2.085 -0.014) 2.085 19.367 ( 0.000 -3.350 -1.363) 3.617 19.413 ( 0.000 -2.185 2.473) 3.300 19.496 ( 0.000 -4.383 -1.317) 4.576 19.636 ( 0.000 -3.698 0.118) 3.700 19.675 ( 0.000 -4.969 -1.295) 5.135 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.464 11.106 2.781) 11.458 2.630 ( -6.994 12.584 1.989) 14.533 2.740 ( 2.770 5.149 -5.509) 8.033 2.804 ( 5.013 12.887 -4.253) 14.467 2.985 ( -0.960 5.037 -2.565) 5.733 3.109 ( 4.673 3.832 -4.252) 7.389 3.280 ( 0.518 2.847 11.189) 11.558 3.371 ( -6.465 5.845 4.425) 9.774 3.523 ( -3.302 3.469 -1.463) 5.008 3.591 ( 3.120 7.882 2.578) 8.860 3.894 ( -1.210 5.248 5.903) 7.990 4.065 ( -4.407 6.119 1.491) 7.687 4.118 ( -8.221 0.140 -0.275) 8.226 4.196 ( -1.432 3.594 -1.073) 4.015 4.465 ( -6.267 5.207 -1.589) 8.301 4.568 ( 3.963 5.112 -1.725) 6.694 4.798 ( 1.845 -3.172 -6.158) 7.168 4.840 ( -1.127 -4.714 -3.956) 6.256 4.949 ( 5.086 -2.774 -1.758) 6.054 5.043 ( -1.583 -0.088 3.242) 3.609 5.093 ( 6.252 1.539 2.873) 7.050 5.285 ( 6.959 -1.823 -8.436) 11.087 5.512 ( -3.245 3.186 -5.645) 7.249 5.632 ( 5.268 2.748 -2.029) 6.278 5.729 ( 3.603 2.655 6.765) 8.112 5.847 ( 4.266 1.038 -2.663) 5.135 5.932 ( 5.000 0.709 -2.907) 5.827 6.122 ( -0.150 -2.726 -6.481) 7.033 6.368 ( 2.606 4.375 11.864) 12.911 6.409 ( 5.018 5.546 5.011) 9.003 6.548 ( 2.369 -0.956 6.031) 6.550 6.672 ( 5.647 0.571 7.694) 9.561 6.900 ( -3.784 3.387 1.285) 5.239 7.027 ( 2.675 6.853 3.235) 8.036 7.130 ( 5.616 10.962 0.204) 12.319 7.328 ( -3.989 5.231 -3.004) 7.232 7.434 ( -5.287 6.377 -1.854) 8.489 7.469 ( -1.465 8.283 1.099) 8.483 7.570 ( -2.356 3.885 -3.791) 5.918 7.634 ( 3.602 6.265 4.847) 8.702 7.670 ( -2.326 -0.125 -3.566) 4.259 7.794 ( 5.115 8.775 1.377) 10.250 7.951 ( 0.421 15.231 -2.029) 15.371 8.034 ( -2.037 9.877 -3.353) 10.628 8.171 ( -6.922 7.183 0.353) 9.982 8.191 ( -6.219 11.716 0.337) 13.268 8.237 ( -6.704 6.167 0.873) 9.151 8.316 ( -0.979 11.692 -1.290) 11.804 8.495 ( -8.853 2.295 -0.213) 9.148 8.555 ( -2.504 5.354 -2.206) 6.308 8.850 ( -9.845 5.305 2.052) 11.370 8.918 ( 8.275 6.248 0.677) 10.391 8.966 ( 5.178 7.108 0.606) 8.815 9.087 ( -8.072 7.910 -5.530) 12.582 9.232 ( 1.950 3.882 0.372) 4.361 9.284 ( 0.682 5.261 -1.627) 5.549 10.204 ( 0.037 5.736 0.081) 5.736 10.270 ( 0.316 6.615 -2.279) 7.004 10.371 ( 0.325 5.945 2.584) 6.490 10.448 ( 1.830 4.166 1.643) 4.838 10.568 ( 2.593 5.864 -0.802) 6.462 10.639 ( 6.345 4.510 -0.983) 7.847 10.906 ( -2.259 1.968 6.492) 7.150 11.028 ( -3.554 0.039 2.846) 4.554 11.155 ( 0.838 -3.487 -3.156) 4.777 11.255 ( -1.784 -1.911 -1.255) 2.900 11.335 ( 0.727 -1.776 0.658) 2.029 11.533 ( -4.064 -8.122 -5.530) 10.633 11.915 ( 1.753 -1.787 2.435) 3.492 11.978 ( 2.462 -2.946 -0.364) 3.856 12.053 ( -0.929 -2.007 -0.473) 2.261 12.120 ( -0.071 -2.886 -1.285) 3.160 13.847 ( -3.087 3.076 1.122) 4.500 13.914 ( -4.241 1.712 -0.887) 4.659 14.009 ( -3.159 1.793 0.004) 3.633 14.085 ( -5.245 1.339 -0.879) 5.484 14.266 ( 6.531 1.085 -0.102) 6.622 14.336 ( 6.627 0.525 -1.582) 6.834 14.442 ( 1.863 3.227 1.699) 4.095 14.490 ( 2.706 1.858 -0.858) 3.393 15.263 ( -0.164 0.784 1.093) 1.355 15.328 ( 2.597 -0.165 -1.352) 2.933 15.538 ( -4.751 0.981 3.616) 6.050 15.659 ( -4.115 -1.612 -2.060) 4.877 15.820 ( 1.849 -0.304 -0.383) 1.913 15.863 ( 2.505 -0.451 -0.944) 2.714 16.052 ( -1.995 1.633 -0.366) 2.604 16.081 ( -0.967 1.212 -0.635) 1.675 17.679 ( 1.459 -1.571 0.918) 2.332 17.687 ( 2.013 -1.722 0.426) 2.683 17.735 ( 1.546 -1.539 0.080) 2.183 17.744 ( 1.761 -1.497 -0.213) 2.321 18.329 ( -0.674 0.825 4.025) 4.163 18.378 ( -0.110 -0.409 3.399) 3.426 18.463 ( -3.816 -0.689 0.477) 3.906 18.495 ( -3.087 -3.132 -1.965) 4.817 18.637 ( 0.469 -1.734 -0.395) 1.840 18.653 ( 0.561 -1.215 1.087) 1.724 18.712 ( 0.241 -2.538 -2.203) 3.369 18.747 ( -0.960 -2.894 -2.095) 3.700 18.851 ( 3.982 -3.027 3.213) 5.945 18.965 ( 7.474 -4.740 -1.641) 9.001 19.278 ( -4.821 -2.895 0.874) 5.691 19.335 ( -1.832 -4.088 -0.606) 4.520 19.455 ( 3.223 -2.906 -0.207) 4.345 19.503 ( 0.792 -4.217 -0.997) 4.405 19.617 ( -1.964 -3.393 0.334) 3.934 19.658 ( -1.641 -4.311 -1.113) 4.745 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -2.099 11.717 4.633) 12.773 2.573 ( 2.860 6.624 6.955) 10.021 2.743 ( -3.883 6.271 0.457) 7.390 2.912 ( 5.582 13.929 -3.023) 15.307 2.985 ( 1.025 7.472 -7.543) 10.666 3.165 ( 1.448 5.585 -2.858) 6.439 3.263 ( -2.198 9.936 -6.517) 12.084 3.344 ( -3.788 2.659 -1.003) 4.736 3.374 ( -0.005 1.159 4.024) 4.188 3.656 ( 2.717 3.388 -0.351) 4.357 3.780 ( -8.366 4.791 6.491) 11.622 3.850 ( -8.437 8.387 -0.195) 11.898 4.151 ( 1.648 1.428 7.790) 8.090 4.269 ( 5.226 5.510 4.541) 8.848 4.472 ( 7.554 2.077 0.485) 7.849 4.642 ( 3.999 2.266 -2.241) 5.114 4.702 ( -7.727 -1.230 -3.718) 8.663 4.822 ( -5.373 0.727 -1.589) 5.650 4.955 ( 0.395 -1.101 -9.770) 9.839 5.065 ( 1.864 -6.487 4.113) 7.904 5.208 ( 2.523 -0.804 -5.659) 6.248 5.394 ( 4.155 -1.354 -13.504) 14.193 5.459 ( -1.482 1.341 0.294) 2.020 5.689 ( 1.014 1.650 -0.843) 2.113 5.869 ( 6.968 1.656 4.784) 8.613 5.915 ( 2.416 -0.372 0.982) 2.635 5.995 ( 0.738 0.326 0.745) 1.098 6.114 ( -0.764 2.017 -3.319) 3.958 6.404 ( 0.988 -2.936 18.170) 18.432 6.505 ( 2.483 13.088 6.101) 14.652 6.636 ( 6.929 -3.150 6.821) 10.220 6.746 ( -1.479 -5.288 8.025) 9.724 6.916 ( 7.973 12.325 -4.038) 15.224 7.090 ( 1.148 9.733 -0.363) 9.807 7.153 ( -9.183 9.992 -3.784) 14.089 7.256 ( 5.916 6.143 -3.682) 9.290 7.392 ( -5.061 4.708 -0.928) 6.975 7.399 ( -1.849 6.078 -3.691) 7.347 7.495 ( -2.364 4.193 -3.555) 5.984 7.678 ( 1.602 -1.320 -1.299) 2.449 7.720 ( 4.959 8.975 7.188) 12.522 7.834 ( -2.534 13.721 5.264) 14.913 7.898 ( -3.738 6.057 -1.531) 7.281 7.966 ( -2.965 5.150 0.180) 5.945 8.025 ( -4.108 11.069 -0.205) 11.808 8.101 ( -5.254 9.244 1.148) 10.695 8.171 ( 0.252 11.069 -4.688) 12.024 8.279 ( -0.951 12.715 -4.067) 13.384 8.427 ( 0.463 6.020 2.518) 6.542 8.568 ( -0.350 6.012 1.202) 6.141 8.651 ( -1.896 7.932 -2.007) 8.398 8.854 ( -10.943 9.100 -5.606) 15.296 9.084 ( 5.823 5.736 0.789) 8.212 9.114 ( 5.606 4.711 0.528) 7.341 9.219 ( -2.973 3.299 -0.809) 4.514 9.267 ( -1.713 3.050 -0.651) 3.558 10.199 ( -0.322 4.835 -1.017) 4.951 10.292 ( 1.633 6.288 -3.501) 7.380 10.359 ( -1.215 5.728 3.212) 6.679 10.464 ( 0.023 5.373 0.412) 5.389 10.664 ( 6.055 4.465 3.578) 8.331 10.774 ( 5.395 3.540 0.686) 6.489 10.837 ( -3.890 3.263 4.944) 7.087 10.952 ( -3.767 1.706 1.394) 4.364 11.162 ( -0.077 -3.680 -3.719) 5.233 11.264 ( 3.308 -3.098 -2.935) 5.399 11.332 ( -1.252 -2.871 -0.727) 3.215 11.416 ( -6.229 -3.634 -4.897) 8.717 11.947 ( 1.120 -2.436 1.030) 2.872 12.025 ( 1.869 -3.109 0.102) 3.629 12.043 ( -0.264 -2.038 1.119) 2.340 12.127 ( 0.407 -2.985 0.601) 3.072 13.811 ( -0.575 3.161 -0.266) 3.224 13.869 ( -0.058 2.298 -1.431) 2.707 13.927 ( -4.243 3.124 1.047) 5.372 13.994 ( -3.000 2.381 0.409) 3.852 14.366 ( 2.927 1.006 -0.858) 3.211 14.440 ( 3.234 0.349 -2.743) 4.255 14.483 ( 1.498 2.806 2.462) 4.023 14.533 ( 1.404 1.977 0.102) 2.427 15.295 ( 3.555 0.616 1.931) 4.092 15.396 ( 2.683 -0.626 -0.572) 2.814 15.429 ( -3.546 -0.026 1.760) 3.958 15.540 ( -7.269 -1.704 -1.960) 7.719 15.872 ( 2.503 0.500 -0.063) 2.553 15.925 ( 3.566 0.359 -0.334) 3.600 15.998 ( -3.468 1.037 -0.850) 3.719 16.055 ( -1.203 0.860 -0.770) 1.668 17.697 ( 0.609 -0.765 0.632) 1.164 17.732 ( 1.736 -1.278 0.915) 2.342 17.754 ( 0.252 -1.789 -0.463) 1.865 17.778 ( 1.087 -1.536 -0.139) 1.887 18.330 ( 0.581 -0.018 2.533) 2.599 18.370 ( -0.328 0.678 2.632) 2.737 18.423 ( -0.877 -2.034 0.373) 2.246 18.449 ( -1.319 -2.729 -1.091) 3.221 18.647 ( 0.533 -0.930 -0.115) 1.078 18.653 ( -0.263 -1.863 0.051) 1.883 18.688 ( -1.398 -2.256 -1.520) 3.059 18.735 ( -0.389 -0.965 -0.940) 1.402 18.961 ( 6.608 -3.308 4.216) 8.508 19.068 ( -0.868 -3.884 2.036) 4.471 19.201 ( 0.864 -6.395 -2.330) 6.861 19.279 ( -4.134 -7.085 -3.339) 8.856 19.510 ( 2.215 -2.833 0.292) 3.608 19.540 ( 2.425 -3.457 -0.509) 4.253 19.570 ( -1.802 -2.688 0.482) 3.272 19.615 ( -2.816 -3.645 -1.041) 4.722 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 5.467 1.782) 5.750 2.741 ( 0.000 1.730 -2.931) 3.403 2.897 ( 0.000 3.615 0.065) 3.616 2.947 ( 0.000 1.996 -5.465) 5.818 3.074 ( 0.000 4.366 -0.513) 4.396 3.103 ( 0.000 4.843 -0.019) 4.843 3.450 ( 0.000 7.691 7.826) 10.972 3.469 ( 0.000 6.776 8.841) 11.138 3.668 ( 0.000 8.914 2.404) 9.233 3.749 ( 0.000 5.688 -1.749) 5.950 3.916 ( 0.000 -1.058 -1.890) 2.166 4.001 ( 0.000 -4.556 -5.168) 6.889 4.366 ( 0.000 4.154 1.301) 4.353 4.497 ( 0.000 9.609 5.250) 10.950 4.521 ( 0.000 -6.847 -1.784) 7.076 4.530 ( 0.000 -5.783 -4.635) 7.411 4.608 ( 0.000 -5.935 -7.171) 9.308 4.725 ( 0.000 -0.012 -3.673) 3.673 4.963 ( 0.000 3.449 0.729) 3.525 5.026 ( 0.000 0.942 9.488) 9.534 5.133 ( 0.000 2.990 6.191) 6.876 5.161 ( 0.000 -0.441 -9.381) 9.392 5.587 ( 0.000 1.807 -2.811) 3.342 5.602 ( 0.000 2.838 -9.174) 9.603 5.742 ( 0.000 -1.722 3.105) 3.551 5.807 ( 0.000 -0.441 -7.050) 7.064 5.927 ( 0.000 3.026 -3.638) 4.732 5.990 ( 0.000 -5.502 -3.777) 6.674 6.316 ( 0.000 -4.726 8.476) 9.704 6.418 ( 0.000 -3.871 10.514) 11.204 6.531 ( 0.000 3.428 15.523) 15.897 6.608 ( 0.000 2.196 9.425) 9.677 6.887 ( 0.000 -3.433 3.014) 4.569 6.981 ( 0.000 -4.578 -1.927) 4.967 7.350 ( 0.000 9.436 -6.167) 11.273 7.447 ( 0.000 2.156 -4.068) 4.604 7.533 ( 0.000 1.099 -4.300) 4.438 7.560 ( 0.000 -0.107 -3.595) 3.596 7.623 ( 0.000 1.862 -2.512) 3.127 7.669 ( 0.000 -1.472 -2.365) 2.786 7.808 ( 0.000 9.889 4.388) 10.819 7.957 ( 0.000 9.167 -0.701) 9.194 8.218 ( 0.000 9.246 0.878) 9.288 8.229 ( 0.000 5.038 0.392) 5.053 8.362 ( 0.000 6.260 -0.065) 6.260 8.389 ( 0.000 4.039 -0.410) 4.059 8.464 ( 0.000 4.074 1.590) 4.374 8.472 ( 0.000 4.666 2.055) 5.098 8.711 ( 0.000 5.959 -0.906) 6.027 8.748 ( 0.000 5.951 -1.482) 6.133 8.949 ( 0.000 7.958 0.802) 7.999 8.972 ( 0.000 6.616 -0.057) 6.616 9.187 ( 0.000 4.957 0.632) 4.997 9.219 ( 0.000 0.159 -0.254) 0.300 9.321 ( 0.000 5.701 -0.270) 5.707 9.422 ( 0.000 7.194 -5.488) 9.048 10.309 ( 0.000 3.790 1.705) 4.156 10.367 ( 0.000 2.498 0.144) 2.502 10.465 ( 0.000 3.906 0.771) 3.981 10.468 ( 0.000 1.761 0.609) 1.863 10.647 ( 0.000 2.607 0.061) 2.607 10.654 ( 0.000 4.199 0.295) 4.210 10.950 ( 0.000 1.478 2.641) 3.026 11.052 ( 0.000 -0.401 0.770) 0.868 11.078 ( 0.000 -2.755 -3.933) 4.802 11.256 ( 0.000 -3.233 -3.747) 4.949 11.280 ( 0.000 -1.218 3.192) 3.416 11.349 ( 0.000 -10.075 -1.058) 10.131 11.880 ( 0.000 -0.308 1.457) 1.489 11.904 ( 0.000 -1.680 -1.257) 2.098 12.028 ( 0.000 -0.866 0.925) 1.267 12.068 ( 0.000 -2.704 -2.157) 3.459 13.943 ( 0.000 1.710 1.084) 2.025 13.979 ( 0.000 -0.303 -0.483) 0.570 14.077 ( 0.000 1.821 1.016) 2.085 14.129 ( 0.000 -0.638 0.656) 0.915 14.218 ( 0.000 1.303 -2.634) 2.938 14.252 ( 0.000 -0.192 -1.994) 2.003 14.486 ( 0.000 2.099 1.446) 2.549 14.494 ( 0.000 1.549 0.732) 1.713 15.297 ( 0.000 0.527 -0.448) 0.691 15.300 ( 0.000 0.321 -0.231) 0.396 15.611 ( 0.000 1.264 2.233) 2.566 15.665 ( 0.000 -1.312 -0.851) 1.564 15.798 ( 0.000 0.056 -0.142) 0.152 15.820 ( 0.000 -0.936 -0.268) 0.974 16.105 ( 0.000 1.166 0.008) 1.166 16.112 ( 0.000 0.821 -0.096) 0.827 17.630 ( 0.000 -0.685 0.851) 1.092 17.642 ( 0.000 -1.182 0.567) 1.311 17.692 ( 0.000 -0.776 0.139) 0.789 17.697 ( 0.000 -1.012 -0.016) 1.012 18.364 ( 0.000 -0.157 1.121) 1.132 18.368 ( 0.000 1.114 1.927) 2.225 18.460 ( 0.000 -1.900 -0.842) 2.078 18.522 ( 0.000 -3.239 -2.039) 3.827 18.578 ( 0.000 0.791 1.475) 1.673 18.629 ( 0.000 -1.918 -0.340) 1.948 18.674 ( 0.000 0.644 -0.220) 0.680 18.711 ( 0.000 -1.402 -2.135) 2.554 18.766 ( 0.000 -1.833 1.403) 2.308 18.803 ( 0.000 -3.112 -0.035) 3.112 19.284 ( 0.000 -1.164 -0.053) 1.165 19.309 ( 0.000 -2.236 -0.969) 2.437 19.389 ( 0.000 -0.350 1.171) 1.222 19.428 ( 0.000 -2.385 -0.439) 2.426 19.579 ( 0.000 -1.791 0.106) 1.794 19.596 ( 0.000 -2.747 -0.510) 2.794 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -2.369 3.969 4.268) 6.291 2.764 ( -0.073 3.638 -1.173) 3.823 2.878 ( -2.656 6.408 -6.304) 9.374 2.982 ( 5.234 1.625 -5.347) 7.656 3.078 ( 0.968 4.316 0.505) 4.452 3.157 ( 3.150 0.820 -0.405) 3.280 3.391 ( -2.370 7.453 6.780) 10.350 3.467 ( -2.319 4.331 3.774) 6.195 3.627 ( -4.138 6.712 2.787) 8.363 3.763 ( -3.011 7.730 -1.890) 8.509 3.942 ( 4.521 -0.441 1.530) 4.793 4.040 ( -1.928 -1.927 0.085) 2.727 4.231 ( -5.900 3.068 1.710) 6.866 4.275 ( -6.430 4.053 2.784) 8.095 4.539 ( 1.522 0.685 -2.984) 3.419 4.595 ( 0.519 -2.271 -3.813) 4.469 4.705 ( 4.670 -5.418 -0.098) 7.153 4.742 ( 1.398 -0.650 -2.401) 2.853 4.938 ( -1.260 2.128 -0.450) 2.514 5.054 ( -4.368 0.504 4.948) 6.620 5.114 ( 2.689 -0.154 -3.030) 4.054 5.250 ( 6.725 -1.350 -8.429) 10.867 5.579 ( -3.811 3.725 -9.592) 10.973 5.685 ( 6.856 2.108 -2.552) 7.613 5.741 ( 1.988 -1.202 0.461) 2.368 5.816 ( 3.452 -2.923 -4.880) 6.654 5.964 ( 3.249 1.933 2.690) 4.640 6.056 ( 4.394 -2.974 -1.969) 5.659 6.332 ( 0.073 -4.831 11.494) 12.468 6.402 ( 2.034 -2.650 12.287) 12.733 6.593 ( 3.146 -2.280 14.208) 14.729 6.653 ( 5.045 5.125 9.591) 11.988 6.931 ( 3.970 -0.893 -1.362) 4.292 7.032 ( 5.722 -2.986 -2.073) 6.779 7.344 ( -1.470 4.748 -4.640) 6.800 7.425 ( -2.900 3.550 -7.306) 8.625 7.476 ( -2.667 1.627 -2.473) 3.984 7.545 ( -2.513 1.000 -2.778) 3.877 7.628 ( -1.298 0.001 -1.886) 2.289 7.644 ( -1.246 0.691 -2.336) 2.736 7.824 ( 2.227 9.845 5.129) 11.322 7.958 ( 0.022 5.997 -0.312) 6.005 8.184 ( -5.742 4.237 -0.007) 7.136 8.197 ( -3.800 6.270 -0.875) 7.384 8.333 ( -4.068 6.626 0.003) 7.775 8.380 ( -0.466 7.093 -0.660) 7.139 8.400 ( -1.609 8.851 2.061) 9.229 8.498 ( 0.541 6.221 -2.451) 6.709 8.614 ( -4.601 7.011 2.062) 8.635 8.689 ( -5.255 5.984 -0.754) 8.000 8.972 ( -2.284 6.734 2.115) 7.419 9.040 ( 5.830 5.328 0.407) 7.909 9.124 ( -0.241 5.939 -1.034) 6.033 9.194 ( -4.974 1.151 -3.432) 6.151 9.319 ( -0.351 5.191 0.992) 5.296 9.402 ( -2.258 5.502 -3.124) 6.718 10.290 ( -1.380 2.774 0.725) 3.182 10.370 ( 0.317 2.763 -0.633) 2.852 10.453 ( -0.412 2.583 2.129) 3.373 10.517 ( 2.651 3.050 1.299) 4.245 10.670 ( 2.158 3.803 0.278) 4.382 10.701 ( 5.248 1.930 -0.471) 5.612 10.933 ( -1.786 1.424 2.910) 3.699 11.024 ( -2.291 -0.261 -0.838) 2.453 11.091 ( 0.693 -2.502 -3.030) 3.990 11.201 ( -2.966 -4.095 -1.786) 5.363 11.296 ( -0.142 -2.055 1.298) 2.435 11.360 ( 0.083 -7.149 -1.846) 7.383 11.888 ( 0.944 -0.861 0.109) 1.283 11.931 ( 2.135 -1.578 -1.150) 2.893 12.027 ( -0.092 -0.594 1.098) 1.251 12.066 ( 0.155 -2.329 -0.232) 2.346 13.896 ( -2.938 1.804 0.412) 3.472 13.931 ( -3.136 0.103 -1.063) 3.312 14.049 ( -2.751 2.003 1.409) 3.683 14.098 ( -3.793 -0.040 0.547) 3.833 14.290 ( 6.330 1.272 -1.716) 6.681 14.337 ( 6.572 -0.323 -2.416) 7.009 14.498 ( 1.514 2.031 1.895) 3.163 14.522 ( 2.229 1.196 0.706) 2.626 15.281 ( -0.175 0.968 0.422) 1.071 15.319 ( 1.377 -0.688 -1.022) 1.848 15.561 ( -4.947 1.279 2.138) 5.539 15.626 ( -4.600 -1.660 -0.790) 4.953 15.820 ( 2.649 0.214 0.038) 2.657 15.854 ( 3.242 -0.385 -0.323) 3.281 16.079 ( -2.369 0.945 -0.047) 2.551 16.102 ( -1.236 0.801 -0.099) 1.476 17.653 ( 1.957 -0.875 0.591) 2.224 17.658 ( 1.738 -1.067 0.371) 2.073 17.712 ( 1.526 -0.729 0.194) 1.702 17.719 ( 2.021 -0.877 -0.018) 2.203 18.347 ( -1.018 0.755 1.163) 1.720 18.375 ( 0.266 -0.035 1.597) 1.619 18.433 ( -2.392 -1.797 -0.107) 2.994 18.456 ( -3.742 -0.780 -0.320) 3.836 18.603 ( 0.684 -1.037 -0.675) 1.413 18.635 ( 0.410 -1.484 -0.633) 1.665 18.681 ( 0.077 -0.012 -0.667) 0.671 18.716 ( 0.581 -0.342 -0.398) 0.783 18.799 ( 3.835 -1.798 1.694) 4.562 18.870 ( 5.728 -4.339 -1.157) 7.278 19.229 ( -5.577 -1.602 0.511) 5.826 19.262 ( -4.496 -2.863 -0.567) 5.360 19.417 ( 2.759 -0.929 0.084) 2.913 19.441 ( 1.415 -1.969 -0.420) 2.461 19.568 ( -1.177 -1.409 0.266) 1.855 19.589 ( -0.878 -2.428 -0.511) 2.632 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 1.477 3.092 5.692) 6.644 2.725 ( -2.790 7.673 0.399) 8.174 2.858 ( -0.290 4.507 -6.090) 7.582 3.029 ( 0.398 -0.937 -7.852) 7.918 3.117 ( 0.382 6.067 -3.493) 7.011 3.246 ( 8.050 0.353 2.408) 8.410 3.377 ( 0.958 1.834 -0.646) 2.168 3.418 ( -2.803 7.571 7.501) 11.020 3.513 ( -9.031 6.922 -2.538) 11.658 3.698 ( 1.450 1.016 -1.207) 2.143 3.841 ( -6.923 3.809 6.288) 10.098 3.932 ( -8.060 -0.406 3.163) 8.668 4.293 ( 10.498 9.724 4.937) 15.137 4.394 ( 6.624 4.353 3.023) 8.483 4.530 ( -2.620 4.564 0.614) 5.298 4.604 ( 1.443 -2.986 0.297) 3.330 4.687 ( -2.575 -0.747 -2.186) 3.459 4.843 ( 5.374 -1.431 -2.660) 6.165 4.924 ( -3.543 -1.077 -2.838) 4.666 4.938 ( -2.474 -4.335 5.547) 7.462 5.147 ( -0.212 -4.262 -9.571) 10.479 5.351 ( 3.871 -1.876 -16.161) 16.724 5.477 ( -5.080 1.398 -11.179) 12.359 5.691 ( -0.937 -2.471 -10.865) 11.182 5.897 ( 6.518 1.527 6.094) 9.053 5.924 ( 4.690 0.927 3.334) 5.828 6.000 ( 1.341 0.111 4.194) 4.405 6.105 ( -0.488 -3.134 1.779) 3.637 6.330 ( 0.713 -1.417 19.167) 19.233 6.507 ( 6.677 -5.467 11.637) 14.487 6.603 ( -2.312 -6.003 13.264) 14.741 6.754 ( 3.374 8.396 11.429) 14.577 7.033 ( 6.024 -0.419 -9.360) 11.139 7.176 ( 6.830 0.280 -4.918) 8.421 7.256 ( -5.875 1.826 -5.009) 7.934 7.367 ( -2.642 3.780 -4.071) 6.151 7.457 ( -0.038 1.031 -1.057) 1.477 7.493 ( -1.966 3.689 -1.964) 4.618 7.582 ( -1.390 3.244 -2.901) 4.569 7.624 ( -1.681 -2.341 -1.859) 3.429 7.897 ( 4.944 6.934 2.742) 8.946 7.967 ( 1.477 2.663 -0.391) 3.071 8.037 ( -7.750 3.965 0.519) 8.720 8.059 ( -7.684 3.693 -1.015) 8.586 8.258 ( -1.612 10.899 2.445) 11.286 8.334 ( -3.803 11.656 1.294) 12.329 8.400 ( -1.610 9.435 -1.766) 9.733 8.501 ( 4.526 9.953 -3.816) 11.581 8.581 ( -3.125 5.556 2.957) 7.027 8.703 ( 6.662 5.125 0.739) 8.437 8.851 ( -6.114 9.332 -1.288) 11.230 9.035 ( -7.128 6.978 -3.983) 10.741 9.178 ( 4.919 1.742 -0.516) 5.244 9.200 ( 5.349 4.084 -0.729) 6.769 9.287 ( -2.764 3.812 1.450) 4.926 9.335 ( -4.269 3.493 -0.197) 5.519 10.269 ( -0.593 2.201 -0.302) 2.300 10.384 ( 0.988 2.658 -3.262) 4.322 10.437 ( -1.015 2.226 4.678) 5.279 10.543 ( 0.248 2.502 1.753) 3.065 10.737 ( 3.718 2.903 0.786) 4.782 10.819 ( 5.630 0.922 -0.611) 5.738 10.885 ( -2.845 1.942 3.138) 4.660 10.969 ( -3.096 0.006 0.117) 3.098 11.098 ( 0.063 -2.365 -3.841) 4.512 11.181 ( 0.988 -4.814 -4.790) 6.862 11.267 ( -2.486 -3.156 1.123) 4.172 11.343 ( -1.042 -2.786 -1.103) 3.172 11.908 ( 0.813 -1.292 -0.683) 1.673 11.967 ( 1.243 -1.910 -2.296) 3.235 12.028 ( 0.130 -0.047 2.877) 2.880 12.074 ( 0.424 -2.211 1.364) 2.632 13.864 ( -0.429 1.985 -0.943) 2.239 13.896 ( -0.465 0.494 -2.118) 2.224 13.986 ( -2.851 2.435 2.556) 4.538 14.025 ( -2.601 0.668 1.797) 3.231 14.389 ( 2.856 1.153 -2.265) 3.823 14.439 ( 2.949 -0.414 -3.426) 4.539 14.534 ( 1.547 2.021 2.728) 3.731 14.563 ( 1.534 0.938 1.280) 2.207 15.313 ( 3.647 1.073 0.972) 3.924 15.373 ( 4.383 -1.488 -1.124) 4.763 15.440 ( -6.482 0.995 1.894) 6.826 15.503 ( -7.111 -1.841 -0.782) 7.387 15.883 ( 2.723 0.482 0.065) 2.766 15.932 ( 4.448 0.236 -0.065) 4.455 16.016 ( -4.002 0.674 -0.204) 4.063 16.071 ( -1.503 0.581 -0.166) 1.620 17.684 ( 1.143 -0.425 0.093) 1.223 17.704 ( 2.214 -1.231 -0.285) 2.549 17.730 ( -0.003 -0.622 0.590) 0.857 17.752 ( 0.887 -0.960 0.179) 1.319 18.335 ( -0.169 0.464 0.910) 1.036 18.381 ( 0.261 -0.254 1.421) 1.467 18.390 ( -1.004 -1.167 0.534) 1.629 18.407 ( -1.666 -0.772 0.438) 1.888 18.604 ( -0.214 -1.402 -1.901) 2.372 18.643 ( 0.443 -1.270 -2.044) 2.447 18.676 ( -0.376 1.353 0.878) 1.657 18.727 ( 0.365 -0.032 0.311) 0.480 18.905 ( 6.531 -1.812 2.031) 7.075 18.985 ( 4.589 -4.277 -0.300) 6.281 19.099 ( -5.833 -3.050 -0.047) 6.583 19.153 ( -6.253 -5.012 -1.638) 8.179 19.473 ( 2.664 -0.945 0.236) 2.837 19.489 ( 3.118 -1.681 -0.284) 3.554 19.534 ( -2.086 -0.918 0.224) 2.290 19.557 ( -2.360 -2.021 -0.576) 3.160 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.000 -0.191 1.800) 1.810 2.754 ( 0.000 0.192 1.800) 1.810 2.947 ( 0.000 -1.335 -2.183) 2.559 2.947 ( 0.000 1.336 -2.183) 2.560 3.127 ( 0.000 -0.778 -0.597) 0.981 3.127 ( 0.000 0.779 -0.597) 0.982 3.567 ( 0.000 -0.031 6.288) 6.288 3.567 ( 0.000 0.032 6.288) 6.288 3.811 ( 0.000 -1.367 -1.341) 1.915 3.811 ( 0.000 1.371 -1.341) 1.918 3.904 ( 0.000 -1.611 -2.435) 2.920 3.904 ( 0.000 1.610 -2.435) 2.919 4.404 ( 0.000 -1.307 -3.873) 4.088 4.404 ( 0.000 1.308 -3.873) 4.088 4.495 ( 0.000 -4.313 -3.214) 5.378 4.495 ( 0.000 4.314 -3.213) 5.380 4.678 ( 0.000 -5.308 2.862) 6.030 4.678 ( 0.000 5.310 2.861) 6.031 5.017 ( 0.000 -1.424 3.111) 3.421 5.017 ( 0.000 1.425 3.111) 3.422 5.169 ( 0.000 -0.001 0.761) 0.761 5.169 ( 0.000 0.002 0.761) 0.761 5.618 ( 0.000 -0.797 -4.358) 4.431 5.618 ( 0.000 0.798 -4.358) 4.431 5.761 ( 0.000 -3.492 -11.676) 12.187 5.761 ( 0.000 3.493 -11.676) 12.187 5.943 ( 0.000 -0.511 2.072) 2.134 5.943 ( 0.000 0.513 2.072) 2.135 6.305 ( 0.000 -4.200 12.207) 12.909 6.305 ( 0.000 4.202 12.207) 12.910 6.614 ( 0.000 -2.724 14.048) 14.310 6.614 ( 0.000 2.725 14.047) 14.309 6.878 ( 0.000 -3.574 -1.800) 4.002 6.878 ( 0.000 3.578 -1.801) 4.006 7.454 ( 0.000 -1.488 -7.500) 7.646 7.454 ( 0.000 1.490 -7.500) 7.646 7.545 ( 0.000 -0.560 -4.368) 4.404 7.545 ( 0.000 0.562 -4.368) 4.404 7.648 ( 0.000 -0.651 -1.759) 1.875 7.648 ( 0.000 0.653 -1.759) 1.876 7.993 ( 0.000 -5.589 2.150) 5.988 7.993 ( 0.000 5.593 2.151) 5.992 8.290 ( 0.000 -1.184 1.531) 1.935 8.290 ( 0.000 1.188 1.531) 1.938 8.432 ( 0.000 -0.066 0.288) 0.295 8.432 ( 0.000 0.069 0.288) 0.296 8.512 ( 0.000 -0.215 1.451) 1.467 8.512 ( 0.000 0.217 1.450) 1.467 8.804 ( 0.000 -1.440 -0.897) 1.696 8.804 ( 0.000 1.443 -0.897) 1.700 9.054 ( 0.000 -0.435 0.131) 0.454 9.054 ( 0.000 0.439 0.131) 0.458 9.206 ( 0.000 -0.001 -0.531) 0.531 9.206 ( 0.000 0.001 -0.531) 0.531 9.453 ( 0.000 -4.151 -2.174) 4.686 9.453 ( 0.000 4.156 -2.174) 4.690 10.365 ( 0.000 -1.552 1.862) 2.424 10.365 ( 0.000 1.555 1.863) 2.427 10.504 ( 0.000 -0.182 -0.461) 0.496 10.504 ( 0.000 0.185 -0.462) 0.497 10.688 ( 0.000 -0.984 2.093) 2.312 10.688 ( 0.000 0.988 2.092) 2.314 11.023 ( 0.000 -3.660 -3.409) 5.002 11.023 ( 0.000 3.667 -3.409) 5.006 11.094 ( 0.000 -7.091 -2.272) 7.446 11.094 ( 0.000 7.089 -2.270) 7.444 11.271 ( 0.000 -0.360 2.422) 2.449 11.271 ( 0.000 0.360 2.422) 2.449 11.882 ( 0.000 -0.403 -0.539) 0.673 11.882 ( 0.000 0.404 -0.539) 0.674 12.029 ( 0.000 -0.984 0.175) 1.000 12.029 ( 0.000 0.985 0.176) 1.001 13.968 ( 0.000 -0.815 0.425) 0.919 13.968 ( 0.000 0.816 0.425) 0.920 14.109 ( 0.000 -1.263 0.829) 1.511 14.109 ( 0.000 1.264 0.829) 1.511 14.241 ( 0.000 -0.799 -2.570) 2.691 14.241 ( 0.000 0.799 -2.570) 2.691 14.509 ( 0.000 -0.079 1.451) 1.454 14.509 ( 0.000 0.079 1.451) 1.454 15.303 ( 0.000 -0.050 -0.423) 0.426 15.303 ( 0.000 0.050 -0.423) 0.426 15.638 ( 0.000 -1.289 0.598) 1.421 15.638 ( 0.000 1.289 0.598) 1.421 15.805 ( 0.000 -0.412 0.074) 0.419 15.805 ( 0.000 0.413 0.074) 0.419 16.119 ( 0.000 -0.086 0.081) 0.118 16.119 ( 0.000 0.087 0.081) 0.119 17.626 ( 0.000 -0.310 0.666) 0.735 17.626 ( 0.000 0.310 0.666) 0.735 17.685 ( 0.000 -0.090 0.104) 0.137 17.685 ( 0.000 0.090 0.104) 0.137 18.369 ( 0.000 -0.576 0.084) 0.582 18.369 ( 0.000 0.576 0.084) 0.582 18.466 ( 0.000 -1.973 -0.534) 2.044 18.466 ( 0.000 1.973 -0.534) 2.044 18.597 ( 0.000 -1.167 0.281) 1.200 18.597 ( 0.000 1.167 0.281) 1.200 18.691 ( 0.000 -0.573 -1.279) 1.401 18.691 ( 0.000 0.573 -1.279) 1.401 18.757 ( 0.000 -1.034 1.011) 1.446 18.757 ( 0.000 1.034 1.011) 1.446 19.279 ( 0.000 -0.555 -0.437) 0.706 19.279 ( 0.000 0.555 -0.437) 0.706 19.395 ( 0.000 -0.845 0.323) 0.904 19.395 ( 0.000 0.845 0.323) 0.904 19.564 ( 0.000 -0.366 -0.072) 0.373 19.564 ( 0.000 0.366 -0.073) 0.373 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -2.244 0.001 1.740) 2.840 2.810 ( 0.567 0.001 2.968) 3.021 2.956 ( 3.101 0.001 -6.729) 7.409 2.962 ( -1.203 0.001 -4.991) 5.134 3.110 ( 1.581 0.001 1.232) 2.004 3.181 ( 2.641 0.001 0.146) 2.645 3.476 ( -6.969 0.000 3.570) 7.830 3.522 ( 0.076 0.001 3.912) 3.913 3.734 ( -8.233 0.001 1.781) 8.423 3.833 ( -8.659 0.000 2.953) 9.149 3.949 ( 5.443 0.001 -4.343) 6.963 4.016 ( 9.116 0.000 -2.120) 9.359 4.256 ( -3.721 0.000 3.406) 5.044 4.292 ( -7.318 0.001 3.087) 7.942 4.515 ( 2.863 0.001 -3.519) 4.537 4.571 ( 5.952 0.000 -3.149) 6.733 4.700 ( 0.118 -0.016 1.743) 1.747 4.701 ( 2.447 0.017 0.963) 2.630 5.007 ( -2.262 0.001 3.514) 4.179 5.037 ( -5.655 0.000 -1.203) 5.782 5.102 ( -0.352 0.000 -4.883) 4.895 5.237 ( 5.045 0.001 -6.464) 8.199 5.648 ( -5.612 0.000 -14.278) 15.341 5.693 ( 6.566 0.001 0.495) 6.585 5.712 ( -0.928 0.001 -11.491) 11.529 5.781 ( 8.747 0.000 -1.727) 8.915 5.988 ( 1.863 0.000 9.051) 9.240 6.016 ( 5.221 0.001 1.211) 5.359 6.301 ( 0.531 0.001 17.326) 17.335 6.336 ( 3.333 0.001 7.882) 8.558 6.578 ( -1.071 0.001 14.939) 14.977 6.720 ( 7.163 0.000 11.781) 13.787 6.918 ( 4.328 0.001 -3.690) 5.687 6.974 ( 8.528 0.003 -2.924) 9.016 7.376 ( -5.095 0.001 -6.433) 8.206 7.454 ( -2.617 0.001 -3.365) 4.263 7.518 ( -0.930 0.001 -5.789) 5.863 7.536 ( -1.954 0.002 -3.577) 4.076 7.622 ( -1.347 0.001 -1.617) 2.105 7.655 ( -0.852 0.001 -1.725) 1.924 7.980 ( -0.746 0.008 1.140) 1.362 7.989 ( -0.711 -0.005 1.262) 1.448 8.213 ( -6.435 0.001 0.493) 6.454 8.260 ( -4.238 0.001 0.337) 4.252 8.398 ( -4.153 0.001 -0.392) 4.171 8.452 ( -1.536 0.002 -0.303) 1.566 8.530 ( 2.745 0.006 0.945) 2.903 8.540 ( 7.420 -0.001 1.125) 7.505 8.720 ( -6.409 0.006 0.328) 6.417 8.739 ( -6.694 -0.002 0.292) 6.700 9.081 ( 3.221 0.004 0.464) 3.254 9.088 ( -0.319 0.000 0.662) 0.735 9.172 ( -0.893 0.002 -1.810) 2.019 9.184 ( -2.071 -0.001 -1.468) 2.539 9.425 ( -2.530 0.007 -1.085) 2.753 9.432 ( -2.617 -0.002 -1.268) 2.908 10.318 ( -2.110 0.002 0.784) 2.251 10.389 ( 0.689 0.001 0.967) 1.188 10.487 ( -0.600 0.002 1.171) 1.316 10.555 ( 2.036 0.002 1.353) 2.444 10.701 ( 2.633 0.002 0.608) 2.703 10.728 ( 3.738 0.002 0.959) 3.859 10.986 ( -3.137 0.009 -2.758) 4.178 11.011 ( -1.836 -0.003 -2.546) 3.139 11.079 ( -1.016 0.009 -1.868) 2.127 11.091 ( 0.456 -0.010 -2.443) 2.485 11.264 ( -0.687 0.001 1.687) 1.821 11.301 ( 1.587 -0.000 1.328) 2.069 11.879 ( 0.602 0.000 -0.990) 1.159 11.915 ( 2.048 0.001 -1.213) 2.381 12.028 ( 0.267 0.001 1.144) 1.175 12.033 ( 0.346 -0.000 0.888) 0.953 13.923 ( -2.713 0.001 -0.293) 2.729 13.924 ( -2.915 -0.000 -0.350) 2.936 14.084 ( -2.972 -0.001 1.201) 3.205 14.085 ( -2.859 0.001 1.359) 3.165 14.309 ( 6.076 0.000 -2.399) 6.533 14.329 ( 6.620 0.000 -2.585) 7.107 14.519 ( 1.560 0.000 1.762) 2.353 14.535 ( 1.880 0.000 1.473) 2.388 15.298 ( 0.179 0.000 -0.319) 0.366 15.305 ( 0.520 0.000 -0.345) 0.624 15.585 ( -4.764 0.000 0.634) 4.806 15.598 ( -5.055 0.000 0.626) 5.094 15.823 ( 2.916 0.000 0.021) 2.916 15.849 ( 3.547 0.000 0.038) 3.547 16.089 ( -2.509 0.000 0.069) 2.510 16.111 ( -1.324 0.000 0.069) 1.326 17.645 ( 1.925 0.000 0.419) 1.970 17.646 ( 1.775 0.000 0.395) 1.818 17.705 ( 1.641 0.000 0.134) 1.647 17.710 ( 2.015 0.000 0.167) 2.022 18.358 ( -0.833 0.000 -0.017) 0.833 18.370 ( -0.193 0.000 0.110) 0.222 18.417 ( -2.826 0.000 0.533) 2.875 18.447 ( -2.351 0.000 0.599) 2.427 18.595 ( -0.089 0.000 -1.402) 1.405 18.614 ( 0.916 0.000 -1.197) 1.507 18.685 ( 0.847 0.000 0.377) 0.928 18.719 ( 0.601 0.000 0.430) 0.739 18.792 ( 4.296 0.000 -0.093) 4.297 18.806 ( 4.290 0.000 -0.022) 4.291 19.216 ( -5.408 0.000 -0.032) 5.408 19.228 ( -5.907 0.000 -0.026) 5.907 19.410 ( 2.369 0.000 -0.031) 2.369 19.419 ( 1.883 0.000 -0.027) 1.883 19.558 ( -0.694 0.000 -0.049) 0.696 19.560 ( -0.766 0.000 -0.049) 0.767 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.450 0.001 2.609) 2.647 2.810 ( -0.036 0.000 0.504) 0.505 2.909 ( -2.848 0.001 -10.095) 10.489 3.004 ( 1.428 0.001 -8.772) 8.888 3.207 ( 5.639 0.001 4.962) 7.511 3.222 ( 1.473 0.001 1.816) 2.338 3.384 ( 0.261 0.001 -1.400) 1.424 3.521 ( -1.641 0.000 6.046) 6.264 3.576 ( -14.148 0.001 3.603) 14.599 3.704 ( 6.181 0.001 -0.123) 6.182 3.905 ( -11.779 0.000 1.708) 11.903 3.923 ( -3.460 0.001 3.293) 4.776 4.395 ( 10.614 0.000 3.203) 11.087 4.438 ( 11.887 0.001 3.552) 12.406 4.544 ( -1.001 0.001 -1.451) 1.763 4.648 ( 1.284 0.001 -0.027) 1.284 4.677 ( -1.035 0.000 2.453) 2.663 4.787 ( 5.525 0.000 0.356) 5.537 4.892 ( -7.320 0.000 1.251) 7.427 4.916 ( -5.920 0.000 4.097) 7.199 5.097 ( -0.013 0.000 -14.568) 14.568 5.330 ( 3.745 0.001 -16.448) 16.869 5.521 ( -5.778 0.001 -15.923) 16.939 5.622 ( -2.960 0.000 -17.926) 18.169 5.924 ( 10.173 -0.001 6.689) 12.175 5.930 ( 4.861 0.001 1.983) 5.250 6.005 ( 0.070 -0.000 15.532) 15.532 6.050 ( -2.405 0.001 3.353) 4.126 6.339 ( 2.436 0.000 21.895) 22.030 6.434 ( 6.137 0.001 8.864) 10.781 6.538 ( -3.657 0.001 10.710) 11.317 6.849 ( 4.210 0.000 11.698) 12.432 7.012 ( 4.622 0.001 -9.966) 10.986 7.166 ( 9.389 0.001 -5.659) 10.962 7.274 ( -4.458 0.000 -4.228) 6.144 7.384 ( -4.547 0.001 0.786) 4.615 7.497 ( -1.409 -0.000 -2.302) 2.699 7.515 ( 1.501 0.003 -2.776) 3.156 7.583 ( -2.995 0.002 -3.762) 4.809 7.625 ( -1.552 0.002 -1.794) 2.372 7.983 ( 0.954 0.001 0.015) 0.954 7.986 ( 2.133 0.001 -0.103) 2.135 8.066 ( -7.241 0.001 -0.558) 7.263 8.101 ( -8.800 0.001 -0.692) 8.827 8.411 ( -0.845 0.003 0.428) 0.948 8.426 ( 5.201 0.002 0.171) 5.204 8.558 ( -2.397 0.010 1.330) 2.741 8.578 ( -7.611 -0.004 1.033) 7.681 8.654 ( 1.308 0.003 -1.235) 1.799 8.735 ( 11.014 -0.000 -0.595) 11.030 8.955 ( -10.607 0.002 -1.024) 10.656 9.109 ( -1.359 0.001 -0.559) 1.469 9.190 ( 3.495 0.001 -1.037) 3.645 9.242 ( 5.197 0.001 -1.033) 5.299 9.357 ( -4.295 0.001 0.794) 4.368 9.362 ( -3.737 0.003 0.409) 3.760 10.292 ( -0.609 0.001 -0.050) 0.611 10.407 ( 1.174 0.001 -2.327) 2.606 10.461 ( -1.640 0.002 4.680) 4.959 10.567 ( -0.174 0.001 2.413) 2.419 10.775 ( 3.609 0.003 -0.930) 3.727 10.822 ( 4.856 0.001 -1.002) 4.959 10.921 ( -3.399 0.005 0.230) 3.406 10.956 ( -2.892 -0.001 0.068) 2.893 11.074 ( 0.191 0.000 -3.271) 3.276 11.114 ( 1.624 -0.000 -5.229) 5.476 11.230 ( -2.268 0.000 2.167) 3.137 11.315 ( 0.014 0.000 0.391) 0.391 11.895 ( 0.685 0.000 -1.368) 1.530 11.948 ( 1.098 0.000 -2.240) 2.495 12.037 ( 0.416 0.000 2.658) 2.690 12.041 ( 0.324 0.000 1.799) 1.828 13.890 ( -0.530 0.000 -1.578) 1.665 13.895 ( -0.258 0.000 -1.591) 1.611 14.019 ( -2.646 0.000 2.474) 3.622 14.025 ( -2.368 0.000 2.563) 3.490 14.405 ( 2.846 0.000 -2.964) 4.109 14.431 ( 2.881 0.000 -3.468) 4.508 14.557 ( 1.670 0.000 2.546) 3.045 14.571 ( 1.401 0.000 1.945) 2.397 15.334 ( 3.757 0.000 -0.088) 3.758 15.347 ( 4.176 0.000 -0.150) 4.178 15.465 ( -6.878 0.000 0.616) 6.905 15.469 ( -7.010 0.000 0.562) 7.032 15.888 ( 2.683 0.000 0.033) 2.683 15.934 ( 4.849 0.000 0.051) 4.849 16.023 ( -4.149 0.000 0.025) 4.149 16.077 ( -1.626 0.000 0.040) 1.626 17.681 ( 1.338 0.000 -0.138) 1.345 17.689 ( 2.186 0.000 -0.348) 2.214 17.724 ( -0.038 0.000 0.583) 0.584 17.742 ( 0.882 0.000 0.372) 0.957 18.344 ( -0.341 0.000 0.058) 0.346 18.366 ( -0.068 0.000 0.079) 0.104 18.378 ( -1.121 0.000 1.303) 1.719 18.408 ( -1.212 0.000 1.760) 2.137 18.593 ( -0.049 0.000 -2.946) 2.946 18.625 ( 0.288 0.000 -2.596) 2.612 18.701 ( 0.488 0.000 1.220) 1.315 18.725 ( 0.119 0.000 1.434) 1.439 18.898 ( 5.838 0.000 -0.116) 5.839 18.920 ( 7.337 0.000 -0.015) 7.337 19.080 ( -8.536 -0.000 -0.162) 8.538 19.088 ( -6.700 0.000 -0.145) 6.702 19.467 ( 2.565 0.000 0.008) 2.565 19.470 ( 3.358 0.000 0.016) 3.358 19.529 ( -2.397 0.000 -0.130) 2.401 19.533 ( -1.813 0.000 -0.121) 1.817 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 0.000 -18.822) 18.822 0.818 ( 0.000 0.000 18.822) 18.822 1.466 ( 0.000 0.000 -34.387) 34.387 1.466 ( 0.000 0.000 34.387) 34.387 2.409 ( 0.000 0.000 -40.165) 40.165 2.409 ( 0.000 0.000 40.165) 40.165 2.793 ( 0.000 0.000 -3.964) 3.964 2.793 ( 0.000 0.000 3.964) 3.964 2.968 ( 0.000 0.000 -18.664) 18.664 2.968 ( 0.000 0.000 18.664) 18.664 3.141 ( 0.000 0.000 -4.713) 4.713 3.141 ( 0.000 0.000 4.713) 4.713 3.163 ( 0.000 0.000 -6.043) 6.043 3.163 ( 0.000 0.000 6.043) 6.043 3.902 ( 0.000 0.000 -0.973) 0.973 3.902 ( 0.000 0.000 0.973) 0.973 3.904 ( 0.000 0.000 -0.554) 0.554 3.904 ( 0.000 0.000 0.554) 0.554 4.440 ( 0.000 0.000 -0.351) 0.351 4.440 ( 0.000 0.000 0.351) 0.351 4.705 ( 0.000 0.000 -25.625) 25.625 4.705 ( 0.000 0.000 25.625) 25.625 5.095 ( 0.000 0.000 -0.921) 0.921 5.095 ( 0.000 0.000 0.921) 0.921 5.362 ( 0.000 0.000 -0.808) 0.808 5.362 ( 0.000 0.000 0.808) 0.808 5.501 ( 0.000 0.000 -6.125) 6.125 5.501 ( 0.000 0.000 6.125) 6.125 5.859 ( 0.000 0.000 -0.935) 0.935 5.859 ( 0.000 0.000 0.935) 0.935 5.951 ( 0.000 0.000 -1.638) 1.638 5.951 ( 0.000 0.000 1.638) 1.638 6.360 ( 0.000 0.000 -5.199) 5.199 6.360 ( 0.000 0.000 5.199) 5.199 6.833 ( 0.000 0.000 -3.729) 3.729 6.833 ( 0.000 0.000 3.729) 3.729 7.054 ( 0.000 0.000 -2.066) 2.066 7.054 ( 0.000 0.000 2.066) 2.066 7.286 ( 0.000 0.000 -0.841) 0.841 7.286 ( 0.000 0.000 0.841) 0.841 7.640 ( 0.000 0.000 -0.630) 0.630 7.640 ( 0.000 0.000 0.630) 0.630 7.666 ( 0.000 0.000 -16.531) 16.531 7.666 ( 0.000 0.000 16.531) 16.531 7.703 ( 0.000 0.000 -7.180) 7.180 7.703 ( 0.000 0.000 7.180) 7.180 8.209 ( 0.000 0.000 -1.977) 1.977 8.209 ( 0.000 0.000 1.977) 1.977 8.478 ( 0.000 0.000 -6.903) 6.903 8.478 ( 0.000 0.000 6.903) 6.903 8.531 ( 0.000 0.000 -2.191) 2.191 8.531 ( 0.000 0.000 2.191) 2.191 9.137 ( 0.000 0.000 -7.803) 7.803 9.137 ( 0.000 0.000 7.803) 7.803 9.156 ( 0.000 0.000 -8.544) 8.544 9.156 ( 0.000 0.000 8.544) 8.544 9.465 ( 0.000 0.000 -2.484) 2.484 9.465 ( 0.000 0.000 2.484) 2.484 9.562 ( 0.000 0.000 -2.493) 2.493 9.562 ( 0.000 0.000 2.493) 2.493 9.711 ( 0.000 0.000 -0.405) 0.405 9.711 ( 0.000 0.000 0.405) 0.405 9.979 ( 0.000 0.000 -1.306) 1.306 9.979 ( 0.000 0.000 1.306) 1.306 11.315 ( 0.000 0.000 -18.199) 18.199 11.315 ( 0.000 0.000 18.199) 18.199 11.428 ( 0.000 0.000 -0.094) 0.094 11.428 ( 0.000 0.000 0.094) 0.094 12.202 ( 0.000 0.000 -0.673) 0.673 12.202 ( 0.000 0.000 0.673) 0.673 12.312 ( 0.000 0.000 -3.410) 3.410 12.312 ( 0.000 0.000 3.410) 3.410 13.492 ( 0.000 0.000 -0.107) 0.107 13.492 ( 0.000 0.000 0.107) 0.107 13.993 ( 0.000 0.000 -2.654) 2.654 13.993 ( 0.000 0.000 2.654) 2.654 14.172 ( 0.000 0.000 -0.196) 0.196 14.172 ( 0.000 0.000 0.196) 0.196 14.247 ( 0.000 0.000 -4.202) 4.202 14.247 ( 0.000 0.000 4.202) 4.202 15.266 ( 0.000 0.000 -0.939) 0.939 15.266 ( 0.000 0.000 0.939) 0.939 15.708 ( 0.000 0.000 -9.898) 9.898 15.708 ( 0.000 0.000 9.898) 9.898 15.857 ( 0.000 0.000 -2.164) 2.164 15.857 ( 0.000 0.000 2.164) 2.164 15.986 ( 0.000 0.000 -2.283) 2.283 15.986 ( 0.000 0.000 2.283) 2.283 17.855 ( 0.000 0.000 -0.349) 0.349 17.855 ( 0.000 0.000 0.349) 0.349 17.886 ( 0.000 0.000 -1.661) 1.661 17.886 ( 0.000 0.000 1.661) 1.661 18.515 ( 0.000 0.000 -8.220) 8.220 18.515 ( 0.000 0.000 8.220) 8.220 18.657 ( 0.000 0.000 -9.258) 9.258 18.657 ( 0.000 0.000 9.258) 9.258 18.820 ( 0.000 0.000 -5.246) 5.246 18.820 ( 0.000 0.000 5.246) 5.246 18.967 ( 0.000 0.000 -4.117) 4.117 18.967 ( 0.000 0.000 4.117) 4.117 19.461 ( 0.000 0.000 -9.395) 9.395 19.461 ( 0.000 0.000 9.395) 9.395 19.613 ( 0.000 0.000 -0.142) 0.142 19.613 ( 0.000 0.000 0.142) 0.142 20.057 ( 0.000 0.000 -1.254) 1.254 20.057 ( 0.000 0.000 1.254) 1.254 20.297 ( 0.000 0.000 -3.194) 3.194 20.297 ( 0.000 0.000 3.194) 3.194 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 13.890 0.000 -15.450) 20.775 0.966 ( 13.890 0.000 15.450) 20.775 1.425 ( -0.744 0.000 -33.187) 33.195 1.425 ( -0.744 0.000 33.187) 33.195 2.324 ( -13.510 0.000 -16.954) 21.678 2.324 ( -13.510 0.000 16.954) 21.678 2.629 ( -15.323 0.000 -2.635) 15.548 2.629 ( -15.323 0.000 2.635) 15.548 2.813 ( 2.675 0.000 -21.992) 22.154 2.813 ( 2.675 0.000 21.992) 22.154 3.125 ( -3.306 0.000 -11.106) 11.588 3.125 ( -3.306 0.000 11.106) 11.588 3.505 ( 15.337 0.000 -17.232) 23.069 3.505 ( 15.337 0.000 17.232) 23.069 3.786 ( -6.105 0.000 -5.115) 7.964 3.786 ( -6.105 0.000 5.115) 7.964 4.032 ( 16.496 0.000 -1.065) 16.531 4.032 ( 16.496 0.000 1.065) 16.531 4.635 ( 10.686 0.000 -10.435) 14.936 4.635 ( 10.686 0.000 10.435) 14.936 4.688 ( -2.080 0.000 -23.750) 23.841 4.688 ( -2.080 0.000 23.750) 23.841 4.977 ( -4.238 0.000 -4.830) 6.426 4.977 ( -4.238 0.000 4.830) 6.426 5.484 ( 6.581 0.000 -3.798) 7.598 5.484 ( 6.581 0.000 3.798) 7.598 5.516 ( 0.509 0.000 -6.484) 6.504 5.516 ( 0.509 0.000 6.484) 6.504 5.682 ( -8.837 0.000 -10.728) 13.899 5.682 ( -8.837 0.000 10.728) 13.899 6.152 ( 11.000 0.000 -3.507) 11.546 6.152 ( 11.000 0.000 3.507) 11.546 6.253 ( -10.444 0.000 -10.159) 14.570 6.253 ( -10.444 0.000 10.159) 14.570 6.710 ( -9.648 0.000 -10.510) 14.267 6.710 ( -9.648 0.000 10.510) 14.267 7.007 ( -1.668 0.000 -2.402) 2.924 7.007 ( -1.668 0.000 2.402) 2.924 7.160 ( -6.242 0.000 -4.010) 7.419 7.160 ( -6.242 0.000 4.010) 7.419 7.553 ( -8.754 0.000 -5.220) 10.192 7.553 ( -8.754 0.000 5.220) 10.192 7.622 ( -5.376 0.000 -8.545) 10.095 7.622 ( -5.376 0.000 8.545) 10.095 7.853 ( 10.884 0.000 -4.862) 11.920 7.853 ( 10.884 0.000 4.862) 11.920 8.159 ( -3.206 0.000 -3.600) 4.821 8.159 ( -3.206 0.000 3.600) 4.821 8.551 ( 4.675 0.000 -2.757) 5.427 8.551 ( 4.675 0.000 2.757) 5.427 8.570 ( 3.221 0.000 -7.531) 8.191 8.570 ( 3.221 0.000 7.531) 8.191 9.131 ( -0.707 0.000 -7.520) 7.553 9.131 ( -0.707 0.000 7.520) 7.553 9.132 ( -2.074 0.000 -7.993) 8.258 9.132 ( -2.074 0.000 7.993) 8.258 9.480 ( 1.448 0.000 -2.437) 2.834 9.480 ( 1.448 0.000 2.437) 2.834 9.553 ( -0.851 0.000 -2.217) 2.375 9.553 ( -0.851 0.000 2.217) 2.375 9.750 ( 3.316 0.000 -0.349) 3.334 9.750 ( 3.316 0.000 0.349) 3.334 9.959 ( -2.053 0.000 -1.317) 2.439 9.959 ( -2.053 0.000 1.317) 2.439 11.352 ( 2.845 0.000 -11.681) 12.023 11.352 ( 2.845 0.000 11.681) 12.023 11.427 ( -0.143 0.000 -1.941) 1.946 11.427 ( -0.143 0.000 1.941) 1.946 12.244 ( 4.020 0.000 -3.791) 5.526 12.244 ( 4.020 0.000 3.791) 5.526 12.351 ( 2.815 0.000 -7.252) 7.779 12.351 ( 2.815 0.000 7.252) 7.779 13.471 ( -1.267 0.000 -0.431) 1.338 13.471 ( -1.267 0.000 0.431) 1.338 13.827 ( -12.230 0.000 -6.086) 13.660 13.827 ( -12.230 0.000 6.086) 13.660 14.235 ( 5.481 0.000 -1.129) 5.596 14.235 ( 5.481 0.000 1.129) 5.596 14.329 ( 4.491 0.000 -4.791) 6.567 14.329 ( 4.491 0.000 4.791) 6.567 15.291 ( 2.689 0.000 -1.085) 2.900 15.291 ( 2.689 0.000 1.085) 2.900 15.653 ( -5.558 0.000 -8.232) 9.933 15.653 ( -5.558 0.000 8.232) 9.933 15.866 ( 0.908 0.000 -2.437) 2.600 15.866 ( 0.908 0.000 2.437) 2.600 15.949 ( -2.573 0.000 -3.886) 4.661 15.949 ( -2.573 0.000 3.886) 4.661 17.857 ( -0.654 0.000 -1.331) 1.482 17.857 ( -0.654 0.000 1.331) 1.482 17.882 ( -0.558 0.000 -3.508) 3.552 17.882 ( -0.558 0.000 3.508) 3.552 18.456 ( -0.697 0.000 -5.590) 5.634 18.456 ( -0.697 0.000 5.590) 5.634 18.631 ( -1.761 0.000 -9.232) 9.399 18.631 ( -1.761 0.000 9.232) 9.399 18.831 ( 0.473 0.000 -4.851) 4.874 18.831 ( 0.473 0.000 4.851) 4.874 19.056 ( 1.542 0.000 -5.431) 5.646 19.056 ( 1.542 0.000 5.431) 5.646 19.393 ( -1.985 0.000 -9.962) 10.158 19.393 ( -1.985 0.000 9.962) 10.158 19.605 ( -0.940 0.000 -5.433) 5.514 19.605 ( -0.940 0.000 5.433) 5.514 20.060 ( 0.499 0.000 -1.689) 1.762 20.060 ( 0.499 0.000 1.689) 1.762 20.237 ( -4.754 0.000 -3.039) 5.642 20.237 ( -4.754 0.000 3.039) 5.642 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 16.836 0.000 -11.180) 20.210 1.284 ( 16.836 0.000 11.180) 20.210 1.475 ( 0.830 0.000 -18.185) 18.204 1.475 ( 0.830 0.000 18.185) 18.204 2.069 ( -5.024 0.000 -11.441) 12.496 2.069 ( -5.024 0.000 11.441) 12.496 2.267 ( -19.618 0.000 -7.146) 20.879 2.267 ( -19.618 0.000 7.146) 20.879 2.930 ( 5.627 0.000 -7.575) 9.437 2.930 ( 5.627 0.000 7.575) 9.437 3.027 ( -5.297 0.000 -5.153) 7.390 3.027 ( -5.297 0.000 5.153) 7.390 3.685 ( 5.668 0.000 -14.486) 15.555 3.685 ( 5.668 0.000 14.486) 15.555 3.739 ( -0.587 0.000 -2.005) 2.090 3.739 ( -0.587 0.000 2.005) 2.090 4.429 ( 13.813 0.000 -6.584) 15.302 4.429 ( 13.813 0.000 6.584) 15.302 4.585 ( -8.438 0.000 -14.295) 16.600 4.585 ( -8.438 0.000 14.295) 16.600 4.730 ( 14.740 0.000 -9.296) 17.427 4.730 ( 14.740 0.000 9.296) 17.427 5.092 ( -2.326 0.000 -7.022) 7.398 5.092 ( -2.326 0.000 7.022) 7.398 5.338 ( -5.314 0.000 -6.025) 8.034 5.338 ( -5.314 0.000 6.025) 8.034 5.469 ( -6.404 0.000 -10.461) 12.266 5.469 ( -6.404 0.000 10.461) 12.266 5.775 ( 11.816 0.000 -3.141) 12.226 5.775 ( 11.816 0.000 3.141) 12.226 6.019 ( -12.876 0.000 -8.378) 15.361 6.019 ( -12.876 0.000 8.378) 15.361 6.326 ( 8.263 0.000 -5.173) 9.748 6.326 ( 8.263 0.000 5.173) 9.748 6.509 ( -10.574 0.000 -9.207) 14.021 6.509 ( -10.574 0.000 9.207) 14.021 7.052 ( 5.796 0.000 -4.952) 7.623 7.052 ( 5.796 0.000 4.952) 7.623 7.137 ( 0.339 0.000 -2.448) 2.471 7.137 ( 0.339 0.000 2.448) 2.471 7.390 ( -4.132 0.000 -13.825) 14.429 7.390 ( -4.132 0.000 13.825) 14.429 7.474 ( -8.749 0.000 -10.978) 14.038 7.474 ( -8.749 0.000 10.978) 14.038 8.023 ( 6.184 0.000 -6.143) 8.717 8.023 ( 6.184 0.000 6.143) 8.717 8.104 ( -2.884 0.000 -4.027) 4.953 8.104 ( -2.884 0.000 4.027) 4.953 8.614 ( 1.864 0.000 -7.524) 7.752 8.614 ( 1.864 0.000 7.524) 7.752 8.621 ( 1.351 0.000 -10.875) 10.959 8.621 ( 1.351 0.000 10.875) 10.959 9.100 ( -0.670 0.000 -6.305) 6.341 9.100 ( -0.670 0.000 6.305) 6.341 9.110 ( -1.276 0.000 -5.606) 5.750 9.110 ( -1.276 0.000 5.606) 5.750 9.510 ( 1.449 0.000 -0.847) 1.678 9.510 ( 1.449 0.000 0.847) 1.678 9.534 ( -1.064 0.000 -1.142) 1.561 9.534 ( -1.064 0.000 1.142) 1.561 9.823 ( 4.139 0.000 -0.853) 4.226 9.823 ( 4.139 0.000 0.853) 4.226 9.902 ( -3.723 0.000 -1.228) 3.920 9.902 ( -3.723 0.000 1.228) 3.920 11.397 ( 1.712 0.000 -5.842) 6.087 11.397 ( 1.712 0.000 5.842) 6.087 11.420 ( -0.667 0.000 -3.711) 3.770 11.420 ( -0.667 0.000 3.711) 3.770 12.331 ( 4.154 0.000 -6.403) 7.632 12.331 ( 4.154 0.000 6.403) 7.632 12.379 ( -0.442 0.000 -7.704) 7.716 12.379 ( -0.442 0.000 7.704) 7.716 13.484 ( 3.296 0.000 -0.951) 3.430 13.484 ( 3.296 0.000 0.951) 3.430 13.609 ( -9.445 0.000 -3.049) 9.925 13.609 ( -9.445 0.000 3.049) 9.925 14.336 ( 4.007 0.000 -0.277) 4.017 14.336 ( 4.007 0.000 0.277) 4.017 14.374 ( 0.150 0.000 -2.293) 2.298 14.374 ( 0.150 0.000 2.293) 2.298 15.376 ( 6.115 0.000 -2.081) 6.459 15.376 ( 6.115 0.000 2.081) 6.459 15.516 ( -7.832 0.000 -4.622) 9.095 15.516 ( -7.832 0.000 4.622) 9.095 15.888 ( 1.219 0.000 -3.318) 3.535 15.888 ( 1.219 0.000 3.318) 3.535 15.912 ( -1.365 0.000 -4.285) 4.497 15.912 ( -1.365 0.000 4.285) 4.497 17.841 ( -0.039 0.000 -3.657) 3.657 17.841 ( -0.039 0.000 3.657) 3.657 17.860 ( -1.528 0.000 -4.668) 4.912 17.860 ( -1.528 0.000 4.668) 4.912 18.524 ( 5.650 0.000 -7.101) 9.075 18.524 ( 5.650 0.000 7.101) 9.075 18.603 ( -1.913 0.000 -9.455) 9.647 18.603 ( -1.913 0.000 9.455) 9.647 18.841 ( 1.885 0.000 -1.891) 2.670 18.841 ( 1.885 0.000 1.891) 2.670 18.946 ( -8.365 0.000 -3.304) 8.994 18.946 ( -8.365 0.000 3.304) 8.994 19.468 ( 6.326 0.000 -13.693) 15.084 19.468 ( 6.326 0.000 13.693) 15.084 19.566 ( -3.428 0.000 -10.915) 11.440 19.566 ( -3.428 0.000 10.915) 11.440 20.085 ( 2.250 0.000 -1.736) 2.842 20.085 ( 2.250 0.000 1.736) 2.842 20.148 ( -4.134 0.000 -1.048) 4.265 20.148 ( -4.134 0.000 1.048) 4.265 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 27.185 -16.427) 31.762 1.175 ( 0.000 27.185 16.427) 31.762 1.519 ( 0.000 5.704 -32.567) 33.063 1.519 ( 0.000 5.704 32.567) 33.063 2.488 ( 0.000 7.195 -42.806) 43.407 2.488 ( 0.000 7.195 42.806) 43.407 2.781 ( 0.000 5.114 -0.275) 5.122 2.781 ( 0.000 5.114 0.275) 5.122 3.199 ( 0.000 11.009 -1.185) 11.073 3.199 ( 0.000 11.009 1.185) 11.073 3.246 ( 0.000 9.288 -1.039) 9.346 3.246 ( 0.000 9.288 1.039) 9.346 3.356 ( 0.000 18.831 -0.232) 18.832 3.356 ( 0.000 18.831 0.232) 18.832 3.824 ( 0.000 4.152 -0.483) 4.180 3.824 ( 0.000 4.152 0.483) 4.180 4.117 ( 0.000 12.003 -0.285) 12.007 4.117 ( 0.000 12.003 0.285) 12.007 4.395 ( 0.000 -3.738 -0.357) 3.755 4.395 ( 0.000 -3.738 0.357) 3.755 4.701 ( 0.000 0.241 -24.296) 24.297 4.701 ( 0.000 0.241 24.296) 24.297 5.130 ( 0.000 3.302 -1.125) 3.489 5.130 ( 0.000 3.302 1.125) 3.489 5.389 ( 0.000 2.228 -3.397) 4.062 5.389 ( 0.000 2.228 3.397) 4.062 5.615 ( 0.000 9.915 -2.192) 10.154 5.615 ( 0.000 9.915 2.192) 10.154 5.872 ( 0.000 0.726 -4.059) 4.124 5.872 ( 0.000 0.726 4.059) 4.124 5.970 ( 0.000 2.911 -1.559) 3.302 5.970 ( 0.000 2.911 1.559) 3.302 6.338 ( 0.000 -1.841 -6.079) 6.352 6.338 ( 0.000 -1.841 6.079) 6.352 6.793 ( 0.000 -3.165 -5.233) 6.116 6.793 ( 0.000 -3.165 5.233) 6.116 7.056 ( 0.000 1.357 -1.124) 1.762 7.056 ( 0.000 1.357 1.124) 1.762 7.326 ( 0.000 2.738 -0.879) 2.875 7.326 ( 0.000 2.738 0.879) 2.875 7.592 ( 0.000 -3.446 -12.153) 12.632 7.592 ( 0.000 -3.446 12.153) 12.632 7.708 ( 0.000 2.542 -2.677) 3.692 7.708 ( 0.000 2.542 2.677) 3.692 7.762 ( 0.000 5.593 -1.161) 5.712 7.762 ( 0.000 5.593 1.161) 5.712 8.150 ( 0.000 -5.457 -2.429) 5.973 8.150 ( 0.000 -5.457 2.429) 5.973 8.447 ( 0.000 2.468 -1.216) 2.751 8.447 ( 0.000 2.468 1.216) 2.751 8.521 ( 0.000 -1.699 -3.108) 3.542 8.521 ( 0.000 -1.699 3.108) 3.542 9.116 ( 0.000 -1.913 -6.314) 6.597 9.116 ( 0.000 -1.913 6.314) 6.597 9.176 ( 0.000 -1.161 -5.907) 6.020 9.176 ( 0.000 -1.161 5.907) 6.020 9.504 ( 0.000 4.293 -2.135) 4.795 9.504 ( 0.000 4.293 2.135) 4.795 9.649 ( 0.000 7.796 -2.569) 8.208 9.649 ( 0.000 7.796 2.569) 8.208 9.778 ( 0.000 6.441 -0.107) 6.441 9.778 ( 0.000 6.441 0.107) 6.441 10.287 ( 0.000 24.679 -12.570) 27.696 10.287 ( 0.000 24.679 12.570) 27.696 11.326 ( 0.000 1.040 -18.266) 18.296 11.326 ( 0.000 1.040 18.266) 18.296 11.415 ( 0.000 -1.119 -0.255) 1.147 11.415 ( 0.000 -1.119 0.255) 1.147 12.184 ( 0.000 -1.669 -0.683) 1.804 12.184 ( 0.000 -1.669 0.683) 1.804 12.297 ( 0.000 -1.568 -3.750) 4.064 12.297 ( 0.000 -1.568 3.750) 4.064 13.539 ( 0.000 4.318 -1.769) 4.667 13.539 ( 0.000 4.318 1.769) 4.667 13.994 ( 0.000 0.155 -2.622) 2.627 13.994 ( 0.000 0.155 2.622) 2.627 14.178 ( 0.000 0.610 -0.084) 0.616 14.178 ( 0.000 0.610 0.084) 0.616 14.249 ( 0.000 0.237 -4.237) 4.244 14.249 ( 0.000 0.237 4.237) 4.244 15.266 ( 0.000 0.012 -0.963) 0.963 15.266 ( 0.000 0.012 0.963) 0.963 15.703 ( 0.000 -0.493 -9.075) 9.089 15.703 ( 0.000 -0.493 9.075) 9.089 15.853 ( 0.000 -0.378 -1.518) 1.565 15.853 ( 0.000 -0.378 1.518) 1.565 15.982 ( 0.000 -0.290 -2.260) 2.279 15.982 ( 0.000 -0.290 2.260) 2.279 17.837 ( 0.000 -1.633 -0.091) 1.635 17.837 ( 0.000 -1.633 0.091) 1.635 17.880 ( 0.000 -0.749 -1.323) 1.520 17.880 ( 0.000 -0.749 1.323) 1.520 18.519 ( 0.000 0.380 -7.779) 7.788 18.519 ( 0.000 0.380 7.779) 7.788 18.649 ( 0.000 -0.809 -8.937) 8.973 18.649 ( 0.000 -0.809 8.937) 8.973 18.808 ( 0.000 -1.090 -5.312) 5.423 18.808 ( 0.000 -1.090 5.312) 5.423 18.962 ( 0.000 -0.634 -3.360) 3.419 18.962 ( 0.000 -0.634 3.360) 3.419 19.370 ( 0.000 -8.357 -8.803) 12.138 19.370 ( 0.000 -8.357 8.803) 12.138 19.599 ( 0.000 -1.546 -2.494) 2.935 19.599 ( 0.000 -1.546 2.494) 2.935 20.014 ( 0.000 -4.508 -1.150) 4.653 20.014 ( 0.000 -4.508 1.150) 4.653 20.163 ( 0.000 -10.197 -3.188) 10.684 20.163 ( 0.000 -10.197 3.188) 10.684 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 10.850 25.675 -14.024) 31.203 1.289 ( 10.850 25.675 14.024) 31.203 1.481 ( -0.061 6.073 -30.960) 31.550 1.481 ( -0.061 6.073 30.960) 31.550 2.442 ( -13.675 10.126 -17.144) 24.155 2.442 ( -13.675 10.126 17.144) 24.155 2.676 ( -6.729 4.973 -5.713) 10.131 2.676 ( -6.729 4.973 5.713) 10.131 2.905 ( -6.968 8.678 -12.196) 16.511 2.905 ( -6.968 8.678 12.196) 16.511 3.292 ( 0.588 14.177 -6.403) 15.567 3.292 ( 0.588 14.177 6.403) 15.567 3.696 ( 9.321 12.859 -7.662) 17.633 3.696 ( 9.321 12.859 7.662) 17.633 3.848 ( 3.127 11.532 -4.432) 12.744 3.848 ( 3.127 11.532 4.432) 12.744 4.062 ( 9.941 2.553 -1.310) 10.346 4.062 ( 9.941 2.553 1.310) 10.346 4.567 ( 5.635 -3.670 -14.991) 16.430 4.567 ( 5.635 -3.670 14.991) 16.430 4.747 ( 5.510 3.660 -17.941) 19.122 4.747 ( 5.510 3.660 17.941) 19.122 5.001 ( -5.583 2.348 -6.023) 8.541 5.001 ( -5.583 2.348 6.023) 8.541 5.473 ( 4.100 1.138 -3.420) 5.459 5.473 ( 4.100 1.138 3.420) 5.459 5.632 ( -2.616 8.054 -2.863) 8.939 5.632 ( -2.616 8.054 2.863) 8.939 5.742 ( -3.678 5.825 -7.541) 10.214 5.742 ( -3.678 5.825 7.541) 10.214 6.134 ( 7.548 -0.950 -2.767) 8.095 6.134 ( 7.548 -0.950 2.767) 8.095 6.266 ( -5.186 1.336 -6.899) 8.734 6.266 ( -5.186 1.336 6.899) 8.734 6.690 ( -8.816 -1.602 -9.654) 13.172 6.690 ( -8.816 -1.602 9.654) 13.172 7.020 ( -1.493 1.831 -2.888) 3.731 7.020 ( -1.493 1.831 2.888) 3.731 7.203 ( -5.884 3.349 -4.927) 8.374 7.203 ( -5.884 3.349 4.927) 8.374 7.562 ( -6.020 0.098 -3.219) 6.828 7.562 ( -6.020 0.098 3.219) 6.828 7.626 ( -7.699 1.306 -4.613) 9.070 7.626 ( -7.699 1.306 4.613) 9.070 7.879 ( 9.384 2.059 -5.179) 10.914 7.879 ( 9.384 2.059 5.179) 10.914 8.155 ( -0.397 -1.033 -4.336) 4.475 8.155 ( -0.397 -1.033 4.336) 4.475 8.488 ( 4.087 -2.052 -1.302) 4.755 8.488 ( 4.087 -2.052 1.302) 4.755 8.563 ( 3.141 -1.209 -6.441) 7.267 8.563 ( 3.141 -1.209 6.441) 7.267 9.097 ( -1.932 -1.846 -6.030) 6.595 9.097 ( -1.932 -1.846 6.030) 6.595 9.148 ( -2.312 -1.478 -4.941) 5.652 9.148 ( -2.312 -1.478 4.941) 5.652 9.514 ( 1.137 4.233 -1.521) 4.639 9.514 ( 1.137 4.233 1.521) 4.639 9.633 ( -1.362 7.203 -2.172) 7.646 9.633 ( -1.362 7.203 2.172) 7.646 9.824 ( 4.223 7.284 -0.509) 8.435 9.824 ( 4.223 7.284 0.509) 8.435 10.208 ( -6.683 20.373 -7.072) 22.578 10.208 ( -6.683 20.373 7.072) 22.578 11.353 ( 2.066 0.046 -10.694) 10.892 11.353 ( 2.066 0.046 10.694) 10.892 11.416 ( 0.016 -0.890 -1.337) 1.606 11.416 ( 0.016 -0.890 1.337) 1.606 12.226 ( 3.997 -1.695 -3.528) 5.594 12.226 ( 3.997 -1.695 3.528) 5.594 12.332 ( 2.633 -1.786 -7.031) 7.717 12.332 ( 2.633 -1.786 7.031) 7.717 13.512 ( -1.753 3.814 -1.339) 4.406 13.512 ( -1.753 3.814 1.339) 4.406 13.838 ( -11.632 1.036 -5.717) 13.002 13.838 ( -11.632 1.036 5.717) 13.002 14.241 ( 5.461 0.545 -0.979) 5.575 14.241 ( 5.461 0.545 0.979) 5.575 14.329 ( 4.497 0.069 -4.707) 6.511 14.329 ( 4.497 0.069 4.707) 6.511 15.291 ( 2.670 -0.014 -1.225) 2.937 15.291 ( 2.670 -0.014 1.225) 2.937 15.649 ( -5.394 -0.330 -7.831) 9.515 15.649 ( -5.394 -0.330 7.831) 9.515 15.861 ( 0.805 -0.464 -2.024) 2.227 15.861 ( 0.805 -0.464 2.024) 2.227 15.952 ( -2.103 0.311 -3.686) 4.255 15.952 ( -2.103 0.311 3.686) 4.255 17.844 ( -0.164 -1.183 -0.744) 1.408 17.844 ( -0.164 -1.183 0.744) 1.408 17.876 ( -0.499 -0.716 -2.913) 3.041 17.876 ( -0.499 -0.716 2.913) 3.041 18.455 ( -1.208 -0.075 -5.449) 5.582 18.455 ( -1.208 -0.075 5.449) 5.582 18.626 ( -1.724 -0.455 -8.768) 8.947 18.626 ( -1.724 -0.455 8.768) 8.947 18.817 ( 0.328 -1.314 -4.601) 4.796 18.817 ( 0.328 -1.314 4.601) 4.796 19.044 ( 0.419 -1.401 -5.437) 5.630 19.044 ( 0.419 -1.401 5.437) 5.630 19.326 ( 0.758 -5.968 -7.562) 9.663 19.326 ( 0.758 -5.968 7.562) 9.663 19.590 ( -1.011 -1.537 -4.146) 4.536 19.590 ( -1.011 -1.537 4.146) 4.536 20.021 ( 0.578 -3.870 -1.350) 4.139 20.021 ( 0.578 -3.870 1.350) 4.139 20.136 ( -2.392 -8.381 -2.555) 9.083 20.136 ( -2.392 -8.381 2.555) 9.083 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 10.528 16.276 -11.429) 22.503 1.514 ( 10.528 16.276 11.429) 22.503 1.603 ( 8.482 14.213 -13.718) 21.497 1.603 ( 8.482 14.213 13.718) 21.497 2.159 ( -8.070 8.104 -9.639) 14.957 2.159 ( -8.070 8.104 9.639) 14.957 2.333 ( -20.414 7.423 -6.839) 22.772 2.333 ( -20.414 7.423 6.839) 22.772 3.034 ( 9.909 8.743 -5.122) 14.173 3.034 ( 9.909 8.743 5.122) 14.173 3.221 ( -6.708 15.862 -3.997) 17.680 3.221 ( -6.708 15.862 3.997) 17.680 3.733 ( 0.228 6.035 -8.869) 10.730 3.733 ( 0.228 6.035 8.869) 10.730 3.879 ( 1.482 12.462 -5.662) 13.768 3.879 ( 1.482 12.462 5.662) 13.768 4.435 ( 10.173 0.751 -4.284) 11.064 4.435 ( 10.173 0.751 4.284) 11.064 4.615 ( 1.251 3.033 -8.391) 9.009 4.615 ( 1.251 3.033 8.391) 9.009 4.750 ( 10.776 2.763 -4.436) 11.977 4.750 ( 10.776 2.763 4.436) 11.977 5.111 ( -1.482 2.146 -3.914) 4.703 5.111 ( -1.482 2.146 3.914) 4.703 5.363 ( -5.982 2.332 -4.928) 8.094 5.363 ( -5.982 2.332 4.928) 8.094 5.502 ( -6.571 3.212 -11.354) 13.506 5.502 ( -6.571 3.212 11.354) 13.506 5.857 ( 10.466 7.468 -2.892) 13.178 5.857 ( 10.466 7.468 2.892) 13.178 6.069 ( -9.983 5.275 -6.331) 12.944 6.069 ( -9.983 5.275 6.331) 12.944 6.316 ( 7.288 -0.926 -5.108) 8.948 6.316 ( 7.288 -0.926 5.108) 8.948 6.494 ( -10.622 -1.155 -8.240) 13.493 6.494 ( -10.622 -1.155 8.240) 13.493 7.070 ( 6.920 1.705 -5.093) 8.759 7.070 ( 6.920 1.705 5.093) 8.759 7.187 ( -0.130 4.332 -2.031) 4.786 7.187 ( -0.130 4.332 2.031) 4.786 7.393 ( -5.314 0.643 -11.316) 12.518 7.393 ( -5.314 0.643 11.316) 12.518 7.477 ( -8.158 0.673 -8.595) 11.869 7.477 ( -8.158 0.673 8.595) 11.869 8.026 ( 5.034 0.009 -5.836) 7.707 8.026 ( 5.034 0.009 5.836) 7.707 8.128 ( -1.913 1.741 -3.922) 4.698 8.128 ( -1.913 1.741 3.922) 4.698 8.566 ( 2.736 -3.585 -6.358) 7.795 8.566 ( 2.736 -3.585 6.358) 7.795 8.608 ( 1.138 -1.329 -8.327) 8.509 8.608 ( 1.138 -1.329 8.327) 8.509 9.062 ( -0.998 -1.673 -7.008) 7.274 9.062 ( -0.998 -1.673 7.008) 7.274 9.106 ( -1.673 -2.377 -4.690) 5.518 9.106 ( -1.673 -2.377 4.690) 5.518 9.544 ( 1.514 4.007 -0.689) 4.338 9.544 ( 1.514 4.007 0.689) 4.338 9.603 ( -1.409 6.824 -1.671) 7.165 9.603 ( -1.409 6.824 1.671) 7.165 9.924 ( 5.500 9.592 -0.630) 11.075 9.924 ( 5.500 9.592 0.630) 11.075 10.075 ( -6.360 14.358 -2.261) 15.866 10.075 ( -6.360 14.358 2.261) 15.866 11.388 ( 1.446 -0.911 -4.916) 5.204 11.388 ( 1.446 -0.911 4.916) 5.204 11.410 ( -0.700 -0.910 -3.247) 3.444 11.410 ( -0.700 -0.910 3.247) 3.444 12.312 ( 4.041 -1.832 -6.047) 7.500 12.312 ( 4.041 -1.832 6.047) 7.500 12.359 ( -0.421 -1.951 -7.446) 7.709 12.359 ( -0.421 -1.951 7.446) 7.709 13.514 ( 2.689 2.851 -1.031) 4.053 13.514 ( 2.689 2.851 1.031) 4.053 13.631 ( -8.830 2.116 -2.844) 9.515 13.631 ( -8.830 2.116 2.844) 9.515 14.340 ( 3.888 0.450 -0.165) 3.917 14.340 ( 3.888 0.450 0.165) 3.917 14.376 ( 0.314 0.237 -2.255) 2.289 14.376 ( 0.314 0.237 2.255) 2.289 15.375 ( 6.055 -0.076 -2.390) 6.510 15.375 ( 6.055 -0.076 2.390) 6.510 15.515 ( -7.707 -0.063 -4.663) 9.008 15.515 ( -7.707 -0.063 4.663) 9.008 15.879 ( 0.761 -0.604 -2.892) 3.051 15.879 ( 0.761 -0.604 2.892) 3.051 15.923 ( -0.822 0.825 -4.126) 4.287 15.923 ( -0.822 0.825 4.126) 4.287 17.834 ( -0.099 -0.702 -3.462) 3.533 17.834 ( -0.099 -0.702 3.462) 3.533 17.857 ( -1.196 -0.324 -3.788) 3.985 17.857 ( -1.196 -0.324 3.788) 3.985 18.512 ( 5.132 -1.086 -6.571) 8.408 18.512 ( 5.132 -1.086 6.571) 8.408 18.597 ( -2.007 -0.721 -8.692) 8.950 18.597 ( -2.007 -0.721 8.692) 8.950 18.822 ( 1.169 -1.759 -1.686) 2.703 18.822 ( 1.169 -1.759 1.686) 2.703 18.931 ( -7.283 -1.555 -3.401) 8.187 18.931 ( -7.283 -1.555 3.401) 8.187 19.438 ( 7.031 -2.745 -11.522) 13.774 19.438 ( 7.031 -2.745 11.522) 13.774 19.549 ( -3.513 -1.672 -9.197) 9.986 19.549 ( -3.513 -1.672 9.197) 9.986 20.037 ( 1.106 -4.546 -1.534) 4.924 20.037 ( 1.106 -4.546 1.534) 4.924 20.086 ( -2.322 -5.561 -0.057) 6.026 20.086 ( -2.322 -5.561 0.057) 6.026 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 17.778 -1.789) 17.868 1.680 ( 0.000 17.778 1.789) 17.868 1.726 ( 0.000 16.326 -6.687) 17.642 1.726 ( 0.000 16.326 6.687) 17.642 2.720 ( 0.000 15.529 -30.926) 34.606 2.720 ( 0.000 15.529 30.926) 34.606 2.967 ( 0.000 10.818 -4.021) 11.541 2.967 ( 0.000 10.818 4.021) 11.541 3.279 ( 0.000 -2.815 -1.469) 3.175 3.279 ( 0.000 -2.815 1.469) 3.175 3.484 ( 0.000 15.713 -2.244) 15.872 3.484 ( 0.000 15.713 2.244) 15.872 3.801 ( 0.000 20.741 -4.280) 21.178 3.801 ( 0.000 20.741 4.280) 21.178 4.101 ( 0.000 14.833 -4.269) 15.435 4.101 ( 0.000 14.833 4.269) 15.435 4.314 ( 0.000 3.299 -2.011) 3.864 4.314 ( 0.000 3.299 2.011) 3.864 4.423 ( 0.000 14.454 -3.645) 14.906 4.423 ( 0.000 14.454 3.645) 14.906 4.767 ( 0.000 7.868 -19.502) 21.030 4.767 ( 0.000 7.868 19.502) 21.030 5.236 ( 0.000 7.691 -1.233) 7.789 5.236 ( 0.000 7.691 1.233) 7.789 5.420 ( 0.000 0.228 -3.804) 3.811 5.420 ( 0.000 0.228 3.804) 3.811 5.778 ( 0.000 0.341 -4.999) 5.011 5.778 ( 0.000 0.341 4.999) 5.011 5.936 ( 0.000 9.147 -1.095) 9.212 5.936 ( 0.000 9.147 1.095) 9.212 6.106 ( 0.000 10.622 -0.244) 10.625 6.106 ( 0.000 10.622 0.244) 10.625 6.329 ( 0.000 2.763 -5.180) 5.870 6.329 ( 0.000 2.763 5.180) 5.870 6.749 ( 0.000 0.141 -5.004) 5.006 6.749 ( 0.000 0.141 5.004) 5.006 7.117 ( 0.000 3.985 -3.418) 5.250 7.117 ( 0.000 3.985 3.418) 5.250 7.374 ( 0.000 2.081 -2.350) 3.139 7.374 ( 0.000 2.081 2.350) 3.139 7.519 ( 0.000 -3.184 -11.064) 11.513 7.519 ( 0.000 -3.184 11.064) 11.513 7.767 ( 0.000 2.792 -6.070) 6.681 7.767 ( 0.000 2.792 6.070) 6.681 7.887 ( 0.000 5.576 -0.070) 5.576 7.887 ( 0.000 5.576 0.070) 5.576 8.068 ( 0.000 -1.467 -2.452) 2.857 8.068 ( 0.000 -1.467 2.452) 2.857 8.470 ( 0.000 -1.383 -1.259) 1.870 8.470 ( 0.000 -1.383 1.259) 1.870 8.592 ( 0.000 9.119 -1.316) 9.214 8.592 ( 0.000 9.119 1.316) 9.214 9.040 ( 0.000 -5.763 -1.058) 5.860 9.040 ( 0.000 -5.763 1.058) 5.860 9.113 ( 0.000 -3.859 -0.389) 3.879 9.113 ( 0.000 -3.859 0.389) 3.879 9.641 ( 0.000 8.803 -1.999) 9.027 9.641 ( 0.000 8.803 1.999) 9.027 9.851 ( 0.000 11.355 -3.498) 11.882 9.851 ( 0.000 11.355 3.498) 11.882 9.957 ( 0.000 10.515 -0.553) 10.530 9.957 ( 0.000 10.515 0.553) 10.530 10.755 ( 0.000 18.030 -20.299) 27.150 10.755 ( 0.000 18.030 20.299) 27.150 11.336 ( 0.000 -1.214 -9.892) 9.966 11.336 ( 0.000 -1.214 9.892) 9.966 11.411 ( 0.000 2.115 -10.226) 10.443 11.411 ( 0.000 2.115 10.226) 10.443 12.138 ( 0.000 -2.672 -0.535) 2.725 12.138 ( 0.000 -2.672 0.535) 2.725 12.248 ( 0.000 -3.116 -4.004) 5.073 12.248 ( 0.000 -3.116 4.004) 5.073 13.653 ( 0.000 6.372 -5.002) 8.101 13.653 ( 0.000 6.372 5.002) 8.101 14.001 ( 0.000 0.545 -2.634) 2.690 14.001 ( 0.000 0.545 2.634) 2.690 14.195 ( 0.000 0.882 -0.075) 0.885 14.195 ( 0.000 0.882 0.075) 0.885 14.260 ( 0.000 0.980 -4.071) 4.187 14.260 ( 0.000 0.980 4.071) 4.187 15.267 ( 0.000 0.096 -0.977) 0.982 15.267 ( 0.000 0.096 0.977) 0.982 15.690 ( 0.000 -0.772 -7.119) 7.161 15.690 ( 0.000 -0.772 7.119) 7.161 15.842 ( 0.000 -0.636 -0.004) 0.636 15.842 ( 0.000 -0.636 0.004) 0.636 15.981 ( 0.000 0.320 -2.019) 2.044 15.981 ( 0.000 0.320 2.019) 2.044 17.796 ( 0.000 -2.219 -0.033) 2.220 17.796 ( 0.000 -2.219 0.033) 2.220 17.854 ( 0.000 -1.738 -0.972) 1.992 17.854 ( 0.000 -1.738 0.972) 1.992 18.526 ( 0.000 0.187 -5.811) 5.814 18.526 ( 0.000 0.187 5.811) 5.814 18.627 ( 0.000 -1.252 -6.851) 6.964 18.627 ( 0.000 -1.252 6.851) 6.964 18.775 ( 0.000 -2.167 -5.157) 5.594 18.775 ( 0.000 -2.167 5.157) 5.594 18.930 ( 0.000 -2.890 -0.458) 2.926 18.930 ( 0.000 -2.890 0.458) 2.926 19.167 ( 0.000 -9.850 -8.285) 12.871 19.167 ( 0.000 -9.850 8.285) 12.871 19.548 ( 0.000 -3.282 -4.320) 5.425 19.548 ( 0.000 -3.282 4.320) 5.425 19.863 ( 0.000 -9.059 -3.741) 9.801 19.863 ( 0.000 -9.059 3.741) 9.801 19.992 ( 0.000 -6.491 -4.407) 7.846 19.992 ( 0.000 -6.491 4.407) 7.846 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.110 13.375 -24.724) 28.132 1.672 ( 1.110 13.375 24.724) 28.132 1.817 ( 9.435 22.192 -15.027) 28.413 1.817 ( 9.435 22.192 15.027) 28.413 2.660 ( -17.858 9.574 -8.525) 21.983 2.660 ( -17.858 9.574 8.525) 21.983 2.849 ( 2.511 12.603 -13.907) 18.935 2.849 ( 2.511 12.603 13.907) 18.935 3.139 ( -13.708 11.763 -6.447) 19.179 3.139 ( -13.708 11.763 6.447) 19.179 3.536 ( 6.907 8.907 -2.649) 11.578 3.536 ( 6.907 8.907 2.649) 11.578 3.932 ( 3.526 9.430 -6.596) 12.036 3.932 ( 3.526 9.430 6.596) 12.036 4.153 ( 4.200 10.368 -5.192) 12.333 4.153 ( 4.200 10.368 5.192) 12.333 4.283 ( 4.912 20.741 -6.954) 22.420 4.283 ( 4.912 20.741 6.954) 22.420 4.566 ( 8.213 7.234 -10.407) 15.103 4.566 ( 8.213 7.234 10.407) 15.103 4.840 ( 7.437 6.145 -16.325) 18.963 4.840 ( 7.437 6.145 16.325) 18.963 5.085 ( -6.873 6.572 -9.086) 13.152 5.085 ( -6.873 6.572 9.086) 13.152 5.520 ( 3.996 2.983 -3.864) 6.308 5.520 ( 3.996 2.983 3.864) 6.308 5.758 ( -5.280 2.237 -5.195) 7.737 5.758 ( -5.280 2.237 5.195) 7.737 5.914 ( 0.797 10.566 -3.374) 11.120 5.914 ( 0.797 10.566 3.374) 11.120 6.167 ( 4.016 5.062 -2.128) 6.803 6.167 ( 4.016 5.062 2.128) 6.803 6.336 ( 1.203 7.008 -2.941) 7.695 6.336 ( 1.203 7.008 2.941) 7.695 6.677 ( -6.792 1.715 -5.455) 8.879 6.677 ( -6.792 1.715 5.455) 8.879 7.082 ( -3.057 3.651 -4.266) 6.393 7.082 ( -3.057 3.651 4.266) 6.393 7.270 ( -3.983 2.999 -6.766) 8.405 7.270 ( -3.983 2.999 6.766) 8.405 7.552 ( 0.261 -0.318 -7.526) 7.537 7.552 ( 0.261 -0.318 7.526) 7.537 7.691 ( -11.059 4.650 -4.920) 12.966 7.691 ( -11.059 4.650 4.920) 12.966 7.908 ( 5.386 0.042 -5.719) 7.856 7.908 ( 5.386 0.042 5.719) 7.856 8.118 ( 2.898 -1.881 -4.185) 5.427 8.118 ( 2.898 -1.881 4.185) 5.427 8.486 ( 0.940 0.094 -5.140) 5.226 8.486 ( 0.940 0.094 5.140) 5.226 8.580 ( -0.213 4.338 -3.200) 5.395 8.580 ( -0.213 4.338 3.200) 5.395 9.025 ( -1.343 -5.366 -1.989) 5.878 9.025 ( -1.343 -5.366 1.989) 5.878 9.098 ( -1.469 -2.274 -3.166) 4.166 9.098 ( -1.469 -2.274 3.166) 4.166 9.653 ( 1.131 8.964 -1.499) 9.158 9.653 ( 1.131 8.964 1.499) 9.158 9.827 ( -1.749 11.229 -2.888) 11.726 9.827 ( -1.749 11.229 2.888) 11.726 10.022 ( 6.002 11.310 -1.945) 12.951 10.022 ( 6.002 11.310 1.945) 12.951 10.628 ( -11.087 18.148 -13.279) 25.071 10.628 ( -11.087 18.148 13.279) 25.071 11.342 ( 0.645 -1.571 -4.522) 4.830 11.342 ( 0.645 -1.571 4.522) 4.830 11.407 ( -0.608 0.565 -5.652) 5.713 11.407 ( -0.608 0.565 5.652) 5.713 12.179 ( 3.797 -2.890 -2.986) 5.629 12.179 ( 3.797 -2.890 2.986) 5.629 12.279 ( 2.263 -3.345 -6.453) 7.613 12.279 ( 2.263 -3.345 6.453) 7.613 13.614 ( -2.815 5.766 -3.509) 7.313 13.614 ( -2.815 5.766 3.509) 7.313 13.869 ( -10.010 1.990 -4.728) 11.248 13.869 ( -10.010 1.990 4.728) 11.248 14.258 ( 5.488 1.078 -0.772) 5.646 14.258 ( 5.488 1.078 0.772) 5.646 14.334 ( 4.406 0.427 -4.482) 6.300 14.334 ( 4.406 0.427 4.482) 6.300 15.291 ( 2.569 0.004 -1.641) 3.048 15.291 ( 2.569 0.004 1.641) 3.048 15.640 ( -5.018 -0.537 -6.812) 8.477 15.640 ( -5.018 -0.537 6.812) 8.477 15.850 ( 0.829 -0.598 -1.090) 1.494 15.850 ( 0.829 -0.598 1.090) 1.494 15.963 ( -1.360 0.830 -3.064) 3.454 15.963 ( -1.360 0.830 3.064) 3.454 17.812 ( 0.756 -1.777 -0.179) 1.939 17.812 ( 0.756 -1.777 0.179) 1.939 17.852 ( -0.137 -1.559 -2.125) 2.639 17.852 ( -0.137 -1.559 2.125) 2.639 18.453 ( -2.343 -0.204 -5.048) 5.569 18.453 ( -2.343 -0.204 5.048) 5.569 18.610 ( -1.803 -1.241 -7.282) 7.604 18.610 ( -1.803 -1.241 7.282) 7.604 18.780 ( 0.052 -2.177 -3.926) 4.490 18.780 ( 0.052 -2.177 3.926) 4.490 18.986 ( -2.314 -4.585 -5.927) 7.843 18.986 ( -2.314 -4.585 5.927) 7.843 19.189 ( 7.126 -6.256 -5.442) 10.933 19.189 ( 7.126 -6.256 5.442) 10.933 19.541 ( -0.999 -3.226 -4.228) 5.411 19.541 ( -0.999 -3.226 4.228) 5.411 19.891 ( 2.006 -8.635 -2.597) 9.238 19.891 ( 2.006 -8.635 2.597) 9.238 19.971 ( -1.808 -6.816 -3.178) 7.735 19.971 ( -1.808 -6.816 3.178) 7.735 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.736 11.930 -13.329) 19.114 1.763 ( 6.736 11.930 13.329) 19.114 2.051 ( 10.964 22.901 -9.876) 27.244 2.051 ( 10.964 22.901 9.876) 27.244 2.351 ( -7.484 10.429 -9.042) 15.701 2.351 ( -7.484 10.429 9.042) 15.701 2.575 ( -21.308 14.389 -8.857) 27.194 2.575 ( -21.308 14.389 8.857) 27.194 3.223 ( 12.252 9.087 -3.087) 15.563 3.223 ( 12.252 9.087 3.087) 15.563 3.504 ( -8.584 9.524 -5.478) 13.942 3.504 ( -8.584 9.524 5.478) 13.942 3.970 ( 2.184 14.815 -12.886) 19.756 3.970 ( 2.184 14.815 12.886) 19.756 4.156 ( -1.906 12.331 -8.347) 15.012 4.156 ( -1.906 12.331 8.347) 15.012 4.484 ( 9.823 5.056 -6.608) 12.873 4.484 ( 9.823 5.056 6.608) 12.873 4.700 ( -3.325 4.914 -9.200) 10.947 4.700 ( -3.325 4.914 9.200) 10.947 4.909 ( 14.786 13.693 -7.442) 21.483 4.909 ( 14.786 13.693 7.442) 21.483 5.201 ( 4.503 7.399 -5.542) 10.282 5.201 ( 4.503 7.399 5.542) 10.282 5.438 ( -7.685 5.388 -7.044) 11.735 5.438 ( -7.685 5.388 7.044) 11.735 5.591 ( -8.237 5.619 -10.534) 14.505 5.591 ( -8.237 5.619 10.534) 14.505 6.036 ( 10.326 8.370 -3.601) 13.772 6.036 ( 10.326 8.370 3.601) 13.772 6.238 ( -4.729 8.125 -3.378) 9.989 6.238 ( -4.729 8.125 3.378) 9.989 6.311 ( 3.471 3.555 -7.262) 8.799 6.311 ( 3.471 3.555 7.262) 8.799 6.503 ( -10.296 4.499 -6.044) 12.759 6.503 ( -10.296 4.499 6.044) 12.759 7.110 ( 7.650 1.881 -7.362) 10.783 7.110 ( 7.650 1.881 7.362) 10.783 7.281 ( -0.693 4.106 -2.089) 4.658 7.281 ( -0.693 4.106 2.089) 4.658 7.438 ( -5.806 4.277 -5.672) 9.175 7.438 ( -5.806 4.277 5.672) 9.175 7.518 ( -6.711 3.561 -2.630) 8.039 7.518 ( -6.711 3.561 2.630) 8.039 8.005 ( 3.490 -2.493 -5.581) 7.038 8.005 ( 3.490 -2.493 5.581) 7.038 8.133 ( -0.869 -2.127 -2.270) 3.230 8.133 ( -0.869 -2.127 2.270) 3.230 8.507 ( 1.115 -1.499 -5.037) 5.373 8.507 ( 1.115 -1.499 5.037) 5.373 8.587 ( 0.309 -0.429 -5.189) 5.216 8.587 ( 0.309 -0.429 5.189) 5.216 9.013 ( 0.766 -3.389 -2.939) 4.551 9.013 ( 0.766 -3.389 2.939) 4.551 9.057 ( -2.559 -0.989 -4.793) 5.523 9.057 ( -2.559 -0.989 4.793) 5.523 9.676 ( 0.908 8.657 -1.168) 8.782 9.676 ( 0.908 8.657 1.168) 8.782 9.798 ( -1.037 11.431 -2.535) 11.754 9.798 ( -1.037 11.431 2.535) 11.754 10.171 ( 8.709 13.457 -2.999) 16.308 10.171 ( 8.709 13.457 2.999) 16.308 10.403 ( -10.845 16.209 -6.090) 20.432 10.403 ( -10.845 16.209 6.090) 20.432 11.360 ( 1.242 -1.843 -2.243) 3.158 11.360 ( 1.242 -1.843 2.243) 3.158 11.387 ( -1.350 -1.134 -1.605) 2.385 11.387 ( -1.350 -1.134 1.605) 2.385 12.259 ( 3.765 -3.272 -5.269) 7.255 12.259 ( 3.765 -3.272 5.269) 7.255 12.302 ( -0.399 -3.506 -6.570) 7.457 12.302 ( -0.399 -3.506 6.570) 7.457 13.592 ( 1.145 4.477 -1.759) 4.945 13.592 ( 1.145 4.477 1.759) 4.945 13.693 ( -7.138 3.851 -2.439) 8.469 13.693 ( -7.138 3.851 2.439) 8.469 14.355 ( 3.660 0.981 -0.517) 3.825 14.355 ( 3.660 0.981 0.517) 3.825 14.384 ( 0.646 0.597 -2.327) 2.488 14.384 ( 0.646 0.597 2.327) 2.488 15.373 ( 5.839 -0.197 -3.163) 6.644 15.373 ( 5.839 -0.197 3.163) 6.644 15.513 ( -7.375 -0.172 -4.705) 8.749 15.513 ( -7.375 -0.172 4.705) 8.749 15.869 ( 0.852 -0.266 -2.173) 2.349 15.869 ( 0.852 -0.266 2.173) 2.349 15.942 ( -0.715 0.971 -3.574) 3.771 15.942 ( -0.715 0.971 3.574) 3.771 17.814 ( -0.079 -1.190 -3.331) 3.538 17.814 ( -0.079 -1.190 3.331) 3.538 17.846 ( -0.472 -0.800 -2.595) 2.756 17.846 ( -0.472 -0.800 2.595) 2.756 18.483 ( 3.935 -1.677 -5.363) 6.860 18.483 ( 3.935 -1.677 5.363) 6.860 18.571 ( -2.432 -1.807 -6.802) 7.447 18.571 ( -2.432 -1.807 6.802) 7.447 18.777 ( 0.214 -2.432 -1.627) 2.933 18.777 ( 0.214 -2.432 1.627) 2.933 18.882 ( -4.938 -3.101 -3.412) 6.756 18.882 ( -4.938 -3.101 3.412) 6.756 19.366 ( 8.311 -4.091 -8.625) 12.657 19.366 ( 8.311 -4.091 8.625) 12.657 19.496 ( -3.866 -3.453 -7.345) 8.990 19.496 ( -3.866 -3.453 7.345) 8.990 19.909 ( -0.212 -7.553 -1.020) 7.624 19.909 ( -0.212 -7.553 1.020) 7.624 19.947 ( -0.248 -7.442 -1.531) 7.602 19.947 ( -0.248 -7.442 1.531) 7.602 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 16.478 -10.120) 19.337 2.007 ( 0.000 16.478 10.120) 19.337 2.062 ( 0.000 15.012 -10.295) 18.203 2.062 ( 0.000 15.012 10.295) 18.203 3.016 ( 0.000 8.053 -8.613) 11.792 3.016 ( 0.000 8.053 8.613) 11.792 3.148 ( 0.000 7.181 -4.463) 8.455 3.148 ( 0.000 7.181 4.463) 8.455 3.291 ( 0.000 7.421 -5.781) 9.407 3.291 ( 0.000 7.421 5.781) 9.407 3.763 ( 0.000 9.954 -2.663) 10.304 3.763 ( 0.000 9.954 2.663) 10.304 4.130 ( 0.000 10.696 -8.482) 13.651 4.130 ( 0.000 10.696 8.482) 13.651 4.199 ( 0.000 2.806 -3.050) 4.144 4.199 ( 0.000 2.806 3.050) 4.144 4.472 ( 0.000 8.025 -6.199) 10.140 4.472 ( 0.000 8.025 6.199) 10.140 4.829 ( 0.000 18.728 -2.501) 18.894 4.829 ( 0.000 18.728 2.501) 18.894 5.010 ( 0.000 14.664 -5.371) 15.617 5.010 ( 0.000 14.664 5.371) 15.617 5.373 ( 0.000 -0.982 -1.486) 1.781 5.373 ( 0.000 -0.982 1.486) 1.781 5.499 ( 0.000 12.831 -3.187) 13.221 5.499 ( 0.000 12.831 3.187) 13.221 5.708 ( 0.000 -2.316 -2.163) 3.169 5.708 ( 0.000 -2.316 2.163) 3.169 6.118 ( 0.000 6.990 -2.615) 7.463 6.118 ( 0.000 6.990 2.615) 7.463 6.346 ( 0.000 8.956 -0.634) 8.978 6.346 ( 0.000 8.956 0.634) 8.978 6.516 ( 0.000 16.387 -0.925) 16.413 6.516 ( 0.000 16.387 0.925) 16.413 6.865 ( 0.000 12.154 -0.621) 12.170 6.865 ( 0.000 12.154 0.621) 12.170 7.192 ( 0.000 3.651 -5.162) 6.322 7.192 ( 0.000 3.651 5.162) 6.322 7.431 ( 0.000 3.606 -1.469) 3.893 7.431 ( 0.000 3.606 1.469) 3.893 7.481 ( 0.000 -0.032 -6.241) 6.241 7.481 ( 0.000 -0.032 6.241) 6.241 7.788 ( 0.000 -1.367 -5.195) 5.372 7.788 ( 0.000 -1.367 5.195) 5.372 7.976 ( 0.000 4.148 -1.891) 4.558 7.976 ( 0.000 4.148 1.891) 4.558 8.096 ( 0.000 3.413 -0.219) 3.420 8.096 ( 0.000 3.413 0.219) 3.420 8.488 ( 0.000 3.579 -0.201) 3.585 8.488 ( 0.000 3.579 0.201) 3.585 8.766 ( 0.000 3.943 -2.632) 4.741 8.766 ( 0.000 3.943 2.632) 4.741 8.923 ( 0.000 -1.624 -1.400) 2.144 8.923 ( 0.000 -1.624 1.400) 2.144 9.046 ( 0.000 -2.324 -2.796) 3.636 9.046 ( 0.000 -2.324 2.796) 3.636 9.843 ( 0.000 10.480 -2.193) 10.707 9.843 ( 0.000 10.480 2.193) 10.707 10.088 ( 0.000 11.335 -4.196) 12.087 10.088 ( 0.000 11.335 4.196) 12.087 10.183 ( 0.000 10.996 -1.254) 11.067 10.183 ( 0.000 10.996 1.254) 11.067 10.995 ( 0.000 6.356 -15.480) 16.734 10.995 ( 0.000 6.356 15.480) 16.734 11.286 ( 0.000 -2.923 -3.766) 4.767 11.286 ( 0.000 -2.923 3.766) 4.767 11.481 ( 0.000 3.325 -17.031) 17.353 11.481 ( 0.000 3.325 17.031) 17.353 12.079 ( 0.000 -3.093 -0.016) 3.093 12.079 ( 0.000 -3.093 0.016) 3.093 12.175 ( 0.000 -3.796 -2.931) 4.796 12.175 ( 0.000 -3.796 2.931) 4.796 13.780 ( 0.000 5.731 -6.004) 8.301 13.780 ( 0.000 5.731 6.004) 8.301 14.018 ( 0.000 1.114 -2.819) 3.031 14.018 ( 0.000 1.114 2.819) 3.031 14.210 ( 0.000 0.589 -0.847) 1.032 14.210 ( 0.000 0.589 0.847) 1.032 14.294 ( 0.000 2.494 -2.965) 3.874 14.294 ( 0.000 2.494 2.965) 3.874 15.271 ( 0.000 0.256 -0.890) 0.926 15.271 ( 0.000 0.256 0.890) 0.926 15.673 ( 0.000 -0.759 -5.042) 5.099 15.673 ( 0.000 -0.759 5.042) 5.099 15.829 ( 0.000 -0.667 -1.389) 1.541 15.829 ( 0.000 -0.667 1.389) 1.541 15.998 ( 0.000 1.371 -1.510) 2.040 15.998 ( 0.000 1.371 1.510) 2.040 17.750 ( 0.000 -2.210 -0.236) 2.223 17.750 ( 0.000 -2.210 0.236) 2.223 17.812 ( 0.000 -2.308 -0.681) 2.406 17.812 ( 0.000 -2.308 0.681) 2.406 18.519 ( 0.000 -1.025 -1.029) 1.453 18.519 ( 0.000 -1.025 1.029) 1.453 18.601 ( 0.000 -1.203 -0.864) 1.481 18.601 ( 0.000 -1.203 0.864) 1.481 18.716 ( 0.000 -3.619 -5.042) 6.206 18.716 ( 0.000 -3.619 5.042) 6.206 18.840 ( 0.000 -5.178 -6.942) 8.661 18.840 ( 0.000 -5.178 6.942) 8.661 19.017 ( 0.000 -4.959 -2.097) 5.384 19.017 ( 0.000 -4.959 2.097) 5.384 19.473 ( 0.000 -3.843 -4.069) 5.597 19.473 ( 0.000 -3.843 4.069) 5.597 19.690 ( 0.000 -7.596 -3.902) 8.540 19.690 ( 0.000 -7.596 3.902) 8.540 19.865 ( 0.000 -6.116 -2.993) 6.809 19.865 ( 0.000 -6.116 2.993) 6.809 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.905 17.912 -16.761) 24.548 1.997 ( 0.905 17.912 16.761) 24.548 2.175 ( 9.975 13.552 -16.655) 23.676 2.175 ( 9.975 13.552 16.655) 23.676 2.823 ( -14.454 6.699 -1.336) 15.987 2.823 ( -14.454 6.699 1.336) 15.987 3.142 ( -0.963 13.687 -9.558) 16.722 3.142 ( -0.963 13.687 9.558) 16.722 3.313 ( -7.660 5.830 -6.370) 11.543 3.313 ( -7.660 5.830 6.370) 11.543 3.723 ( 2.805 8.997 -4.879) 10.612 3.723 ( 2.805 8.997 4.879) 10.612 4.014 ( 0.177 2.379 -5.403) 5.907 4.014 ( 0.177 2.379 5.403) 5.907 4.395 ( 2.656 8.019 -8.131) 11.725 4.395 ( 2.656 8.019 8.131) 11.725 4.508 ( 4.491 7.016 -12.028) 14.631 4.508 ( 4.491 7.016 12.028) 14.631 4.911 ( 5.714 14.343 -2.579) 15.653 4.911 ( 5.714 14.343 2.579) 15.653 5.012 ( 4.263 12.768 -7.041) 15.191 5.012 ( 4.263 12.768 7.041) 15.191 5.293 ( -1.610 12.548 -7.322) 14.617 5.293 ( -1.610 12.548 7.322) 14.617 5.569 ( 2.176 1.114 -5.543) 6.058 5.569 ( 2.176 1.114 5.543) 6.058 5.800 ( 7.190 5.833 -3.564) 9.920 5.800 ( 7.190 5.833 3.564) 9.920 6.111 ( -1.435 8.407 -1.715) 8.699 6.111 ( -1.435 8.407 1.715) 8.699 6.295 ( -2.875 5.937 -5.742) 8.746 6.295 ( -2.875 5.937 5.742) 8.746 6.571 ( 2.959 15.130 -3.685) 15.851 6.571 ( 2.959 15.130 3.685) 15.851 6.844 ( -1.112 15.087 -2.496) 15.333 6.844 ( -1.112 15.087 2.496) 15.333 7.153 ( -5.322 3.664 -6.147) 8.918 7.153 ( -5.322 3.664 6.147) 8.918 7.331 ( -2.162 3.436 -8.425) 9.352 7.331 ( -2.162 3.436 8.425) 9.352 7.571 ( 4.143 2.462 -7.155) 8.626 7.571 ( 4.143 2.462 7.155) 8.626 7.795 ( -7.306 3.847 -5.414) 9.874 7.795 ( -7.306 3.847 5.414) 9.874 7.874 ( -1.037 -1.711 -5.372) 5.733 7.874 ( -1.037 -1.711 5.372) 5.733 8.095 ( -1.050 0.050 -2.967) 3.148 8.095 ( -1.050 0.050 2.967) 3.148 8.497 ( -0.131 0.779 -6.172) 6.222 8.497 ( -0.131 0.779 6.172) 6.222 8.697 ( -6.067 5.765 -3.705) 9.153 8.697 ( -6.067 5.765 3.705) 9.153 8.911 ( 1.193 -4.589 -4.432) 6.491 8.911 ( 1.193 -4.589 4.432) 6.491 9.081 ( 1.262 1.115 -2.286) 2.839 9.081 ( 1.262 1.115 2.286) 2.839 9.858 ( 1.126 10.482 -1.601) 10.663 9.858 ( 1.126 10.482 1.601) 10.663 10.065 ( -1.555 11.525 -3.669) 12.195 10.065 ( -1.555 11.525 3.669) 12.195 10.259 ( 7.115 11.287 -2.877) 13.649 10.259 ( 7.115 11.287 2.877) 13.649 10.903 ( -8.902 8.757 -11.024) 16.657 10.903 ( -8.902 8.757 11.024) 16.657 11.294 ( 0.707 -2.769 -1.879) 3.420 11.294 ( 0.707 -2.769 1.879) 3.420 11.435 ( -3.778 1.643 -10.411) 11.197 11.435 ( -3.778 1.643 10.411) 11.197 12.111 ( 3.183 -3.651 -2.594) 5.495 12.111 ( 3.183 -3.651 2.594) 5.495 12.202 ( 1.991 -3.929 -5.352) 6.932 12.202 ( 1.991 -3.929 5.352) 6.932 13.731 ( -3.712 5.343 -4.293) 7.795 13.731 ( -3.712 5.343 4.293) 7.795 13.918 ( -7.773 2.770 -3.524) 8.973 13.918 ( -7.773 2.770 3.524) 8.973 14.281 ( 5.687 1.002 -1.135) 5.885 14.281 ( 5.687 1.002 1.135) 5.885 14.353 ( 4.001 1.626 -3.695) 5.684 14.353 ( 4.001 1.626 3.695) 5.684 15.291 ( 2.296 0.051 -2.102) 3.114 15.291 ( 2.296 0.051 2.102) 3.114 15.629 ( -4.667 -0.585 -5.569) 7.290 15.629 ( -4.667 -0.585 5.569) 7.290 15.839 ( 1.211 -0.446 -0.934) 1.593 15.839 ( 1.211 -0.446 0.934) 1.593 15.987 ( -1.074 1.491 -2.182) 2.853 15.987 ( -1.074 1.491 2.182) 2.853 17.773 ( 1.527 -2.012 -0.090) 2.527 17.773 ( 1.527 -2.012 0.090) 2.527 17.814 ( 0.401 -2.038 -1.306) 2.454 17.814 ( 0.401 -2.038 1.306) 2.454 18.447 ( -3.265 -0.414 -4.550) 5.615 18.447 ( -3.265 -0.414 4.550) 5.615 18.572 ( -2.233 -2.485 -4.950) 5.972 18.572 ( -2.233 -2.485 4.950) 5.972 18.732 ( 0.223 -2.363 -3.123) 3.923 18.732 ( 0.223 -2.363 3.123) 3.923 18.868 ( -1.503 -6.102 -5.630) 8.438 18.868 ( -1.503 -6.102 5.630) 8.438 19.088 ( 8.792 -4.096 -4.435) 10.665 19.088 ( 8.792 -4.096 4.435) 10.665 19.465 ( -1.169 -3.982 -4.240) 5.933 19.465 ( -1.169 -3.982 4.240) 5.933 19.714 ( 2.013 -8.135 -3.369) 9.032 19.714 ( 2.013 -8.135 3.369) 9.032 19.841 ( -2.225 -6.145 -2.295) 6.927 19.841 ( -2.225 -6.145 2.295) 6.927 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.530 15.212 -10.511) 18.662 2.041 ( 2.530 15.212 10.511) 18.662 2.429 ( 14.973 13.261 -11.331) 22.988 2.429 ( 14.973 13.261 11.331) 22.988 2.594 ( -6.472 13.638 -10.731) 18.521 2.594 ( -6.472 13.638 10.731) 18.521 2.844 ( -20.617 11.195 -11.256) 26.021 2.844 ( -20.617 11.195 11.256) 26.021 3.389 ( 10.265 6.885 -0.748) 12.383 3.389 ( 10.265 6.885 0.748) 12.383 3.637 ( -10.511 4.485 -7.079) 13.443 3.637 ( -10.511 4.485 7.079) 13.443 4.172 ( 11.066 5.494 -8.898) 15.225 4.172 ( 11.066 5.494 8.898) 15.225 4.361 ( -5.478 7.286 -3.573) 9.791 4.361 ( -5.478 7.286 3.573) 9.791 4.612 ( 8.281 5.254 -8.672) 13.091 4.612 ( 8.281 5.254 8.672) 13.091 4.840 ( -8.930 7.698 -5.692) 13.092 4.840 ( -8.930 7.698 5.692) 13.092 5.195 ( 6.429 10.725 -6.618) 14.148 5.195 ( 6.429 10.725 6.618) 14.148 5.417 ( 11.402 12.383 -7.572) 18.458 5.417 ( 11.402 12.383 7.572) 18.458 5.581 ( -0.255 8.406 -10.624) 13.550 5.581 ( -0.255 8.406 10.624) 13.550 5.810 ( -6.452 17.012 -5.427) 18.987 5.810 ( -6.452 17.012 5.427) 18.987 6.139 ( 5.620 2.889 -3.864) 7.407 6.139 ( 5.620 2.889 3.864) 7.407 6.267 ( -1.852 1.301 -7.500) 7.834 6.267 ( -1.852 1.301 7.500) 7.834 6.579 ( -0.029 17.162 -2.998) 17.422 6.579 ( -0.029 17.162 2.998) 17.422 6.762 ( -7.585 18.697 -4.628) 20.701 6.762 ( -7.585 18.697 4.628) 20.701 7.143 ( 6.626 1.736 -10.712) 12.715 7.143 ( 6.626 1.736 10.712) 12.715 7.357 ( -0.369 4.131 -5.030) 6.520 7.357 ( -0.369 4.131 5.030) 6.520 7.552 ( -2.949 5.879 -4.591) 8.021 7.552 ( -2.949 5.879 4.591) 8.021 7.624 ( -5.942 6.663 -1.731) 9.094 7.624 ( -5.942 6.663 1.731) 9.094 7.926 ( 3.123 -4.715 -5.434) 7.843 7.926 ( 3.123 -4.715 5.434) 7.843 8.053 ( -2.637 -4.221 -2.095) 5.400 8.053 ( -2.637 -4.221 2.095) 5.400 8.489 ( 0.198 -1.131 -4.086) 4.244 8.489 ( 0.198 -1.131 4.086) 4.244 8.589 ( -4.022 0.391 -5.979) 7.217 8.589 ( -4.022 0.391 5.979) 7.217 8.971 ( 3.726 0.037 -2.776) 4.646 8.971 ( 3.726 0.037 2.776) 4.646 9.068 ( -2.096 2.196 -4.719) 5.611 9.068 ( -2.096 2.196 4.719) 5.611 9.875 ( 0.518 10.209 -1.489) 10.330 9.875 ( 0.518 10.209 1.489) 10.330 10.041 ( -0.732 11.877 -3.282) 12.344 10.041 ( -0.732 11.877 3.282) 12.344 10.437 ( 10.432 11.928 -4.053) 16.356 10.437 ( 10.432 11.928 4.053) 16.356 10.693 ( -11.472 11.579 -6.709) 17.627 10.693 ( -11.472 11.579 6.709) 17.627 11.312 ( 1.110 -2.817 -2.582) 3.979 11.312 ( 1.110 -2.817 2.582) 3.979 11.369 ( -2.511 -0.584 -1.499) 2.982 11.369 ( -2.511 -0.584 1.499) 2.982 12.179 ( 2.912 -4.599 -4.538) 7.087 12.179 ( 2.912 -4.599 4.538) 7.087 12.225 ( 0.079 -3.733 -5.143) 6.356 12.225 ( 0.079 -3.733 5.143) 6.356 13.685 ( -0.554 4.437 -2.535) 5.140 13.685 ( -0.554 4.437 2.535) 5.140 13.783 ( -4.946 4.882 -2.542) 7.400 13.783 ( -4.946 4.882 2.542) 7.400 14.374 ( 2.922 0.654 -1.685) 3.436 14.374 ( 2.922 0.654 1.685) 3.436 14.408 ( 1.484 1.932 -2.118) 3.229 14.408 ( 1.484 1.932 2.118) 3.229 15.367 ( 5.446 -0.345 -3.845) 6.676 15.367 ( 5.446 -0.345 3.845) 6.676 15.508 ( -6.990 -0.339 -4.568) 8.357 15.508 ( -6.990 -0.339 4.568) 8.357 15.869 ( 1.373 0.216 -1.879) 2.337 15.869 ( 1.373 0.216 1.879) 2.337 15.964 ( -1.016 1.220 -2.831) 3.246 15.964 ( -1.016 1.220 2.831) 3.246 17.786 ( 0.079 -1.539 -2.943) 3.322 17.786 ( 0.079 -1.539 2.943) 3.322 17.825 ( 0.356 -1.251 -1.759) 2.188 17.825 ( 0.356 -1.251 1.759) 2.188 18.448 ( 2.500 -1.691 -3.843) 4.887 18.448 ( 2.500 -1.691 3.843) 4.887 18.524 ( -2.765 -2.759 -4.585) 6.023 18.524 ( -2.765 -2.759 4.585) 6.023 18.730 ( -0.022 -2.065 -2.356) 3.133 18.730 ( -0.022 -2.065 2.356) 3.133 18.809 ( -2.718 -3.870 -2.688) 5.439 18.809 ( -2.718 -3.870 2.688) 5.439 19.275 ( 8.824 -4.789 -6.936) 12.202 19.275 ( 8.824 -4.789 6.936) 12.202 19.412 ( -4.583 -4.658 -6.416) 9.158 19.412 ( -4.583 -4.658 6.416) 9.158 19.749 ( 1.321 -7.625 -1.616) 7.905 19.749 ( 1.321 -7.625 1.616) 7.905 19.798 ( -1.673 -6.907 -1.920) 7.362 19.798 ( -1.673 -6.907 1.920) 7.362 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 12.497 -11.159) 16.754 2.304 ( 0.000 12.497 11.159) 16.754 2.399 ( 0.000 17.818 -8.644) 19.804 2.399 ( 0.000 17.818 8.644) 19.804 3.032 ( 0.000 -1.329 -0.232) 1.349 3.032 ( 0.000 -1.329 0.232) 1.349 3.361 ( 0.000 10.659 -2.335) 10.912 3.361 ( 0.000 10.659 2.335) 10.912 3.439 ( 0.000 4.656 -3.881) 6.061 3.439 ( 0.000 4.656 3.881) 6.061 3.899 ( 0.000 4.134 -7.039) 8.163 3.899 ( 0.000 4.134 7.039) 8.163 4.231 ( 0.000 4.571 -6.095) 7.619 4.231 ( 0.000 4.571 6.095) 7.619 4.353 ( 0.000 7.583 -1.834) 7.802 4.353 ( 0.000 7.583 1.834) 7.802 4.624 ( 0.000 6.551 -2.592) 7.046 4.624 ( 0.000 6.551 2.592) 7.046 5.001 ( 0.000 0.985 -3.885) 4.008 5.001 ( 0.000 0.985 3.885) 4.008 5.207 ( 0.000 -1.167 -1.127) 1.622 5.207 ( 0.000 -1.167 1.127) 1.622 5.459 ( 0.000 8.491 -0.447) 8.503 5.459 ( 0.000 8.491 0.447) 8.503 5.554 ( 0.000 2.442 -3.005) 3.872 5.554 ( 0.000 2.442 3.005) 3.872 5.916 ( 0.000 12.234 -5.457) 13.396 5.916 ( 0.000 12.234 5.457) 13.396 6.225 ( 0.000 4.577 -0.183) 4.581 6.225 ( 0.000 4.577 0.183) 4.581 6.515 ( 0.000 9.683 -0.189) 9.685 6.515 ( 0.000 9.683 0.189) 9.685 6.870 ( 0.000 14.367 -1.652) 14.461 6.870 ( 0.000 14.367 1.652) 14.461 7.114 ( 0.000 7.586 -5.491) 9.364 7.114 ( 0.000 7.586 5.491) 9.364 7.356 ( 0.000 14.059 -0.147) 14.060 7.356 ( 0.000 14.059 0.147) 14.060 7.497 ( 0.000 3.235 -4.881) 5.856 7.497 ( 0.000 3.235 4.881) 5.856 7.525 ( 0.000 2.756 -7.881) 8.348 7.525 ( 0.000 2.756 7.881) 8.348 7.762 ( 0.000 2.224 -1.746) 2.828 7.762 ( 0.000 2.224 1.746) 2.828 8.102 ( 0.000 8.718 -0.236) 8.722 8.102 ( 0.000 8.718 0.236) 8.722 8.180 ( 0.000 4.656 -0.928) 4.747 8.180 ( 0.000 4.656 0.928) 4.747 8.589 ( 0.000 4.167 -2.583) 4.902 8.589 ( 0.000 4.167 2.583) 4.902 8.708 ( 0.000 -2.131 -4.913) 5.355 8.708 ( 0.000 -2.131 4.913) 5.355 9.025 ( 0.000 3.055 -2.336) 3.846 9.025 ( 0.000 3.055 2.336) 3.846 9.056 ( 0.000 6.791 -0.509) 6.810 9.056 ( 0.000 6.791 0.509) 6.810 10.051 ( 0.000 9.520 -2.121) 9.754 10.051 ( 0.000 9.520 2.121) 9.754 10.295 ( 0.000 8.534 -4.339) 9.574 10.295 ( 0.000 8.534 4.339) 9.574 10.387 ( 0.000 8.757 -2.023) 8.987 10.387 ( 0.000 8.757 2.023) 8.987 11.058 ( 0.000 0.575 -10.033) 10.050 11.058 ( 0.000 0.575 10.033) 10.050 11.232 ( 0.000 -2.203 -4.066) 4.625 11.232 ( 0.000 -2.203 4.066) 4.625 11.507 ( 0.000 -1.218 -13.741) 13.795 11.507 ( 0.000 -1.218 13.741) 13.795 12.012 ( 0.000 -3.487 -0.838) 3.587 12.012 ( 0.000 -3.487 0.838) 3.587 12.106 ( 0.000 -2.724 -0.407) 2.755 12.106 ( 0.000 -2.724 0.407) 2.755 13.878 ( 0.000 3.782 -4.455) 5.844 13.878 ( 0.000 3.782 4.455) 5.844 14.046 ( 0.000 1.606 -3.093) 3.485 14.046 ( 0.000 1.606 3.093) 3.485 14.217 ( 0.000 0.106 -1.789) 1.792 14.217 ( 0.000 0.106 1.789) 1.792 14.360 ( 0.000 3.792 -1.453) 4.060 14.360 ( 0.000 3.792 1.453) 4.060 15.278 ( 0.000 0.410 -0.694) 0.806 15.278 ( 0.000 0.410 0.694) 0.806 15.660 ( 0.000 -0.554 -3.445) 3.489 15.660 ( 0.000 -0.554 3.445) 3.489 15.817 ( 0.000 -0.474 -1.934) 1.991 15.817 ( 0.000 -0.474 1.934) 1.991 16.034 ( 0.000 2.010 -0.970) 2.232 16.034 ( 0.000 2.010 0.970) 2.232 17.707 ( 0.000 -1.947 -0.512) 2.013 17.707 ( 0.000 -1.947 0.512) 2.013 17.764 ( 0.000 -2.290 -0.463) 2.336 17.764 ( 0.000 -2.290 0.463) 2.336 18.483 ( 0.000 -2.404 -1.941) 3.090 18.483 ( 0.000 -2.404 1.941) 3.090 18.566 ( 0.000 -2.624 -4.944) 5.597 18.566 ( 0.000 -2.624 4.944) 5.597 18.652 ( 0.000 -1.860 -3.959) 4.374 18.652 ( 0.000 -1.860 3.959) 4.374 18.751 ( 0.000 -3.499 -5.032) 6.129 18.751 ( 0.000 -3.499 5.032) 6.129 18.932 ( 0.000 -3.873 -0.786) 3.952 18.932 ( 0.000 -3.873 0.786) 3.952 19.398 ( 0.000 -3.425 -2.693) 4.357 19.398 ( 0.000 -3.425 2.693) 4.357 19.555 ( 0.000 -5.650 -3.074) 6.432 19.555 ( 0.000 -5.650 3.074) 6.432 19.746 ( 0.000 -5.469 -2.043) 5.838 19.746 ( 0.000 -5.469 2.043) 5.838 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 3.482 16.074 -7.631) 18.132 2.368 ( 3.482 16.074 7.632) 18.132 2.419 ( 4.552 12.521 -10.057) 16.693 2.419 ( 4.552 12.521 10.057) 16.693 2.933 ( -5.725 4.099 -2.954) 7.635 2.933 ( -5.725 4.099 2.954) 7.635 3.356 ( -10.451 6.617 -4.681) 13.225 3.356 ( -10.451 6.617 4.681) 13.225 3.416 ( 0.605 5.384 -5.870) 7.988 3.416 ( 0.605 5.384 5.870) 7.988 3.889 ( 2.859 7.755 -5.964) 10.193 3.889 ( 2.859 7.755 5.964) 10.193 4.076 ( -6.320 3.143 -2.863) 7.617 4.076 ( -6.320 3.143 2.863) 7.617 4.484 ( 2.934 2.241 -6.912) 7.836 4.484 ( 2.934 2.241 6.912) 7.836 4.647 ( 3.380 6.004 -7.975) 10.539 4.647 ( 3.380 6.004 7.975) 10.539 5.026 ( 0.794 1.587 -3.668) 4.075 5.026 ( 0.794 1.587 3.668) 4.075 5.197 ( 0.123 0.320 -4.599) 4.612 5.197 ( 0.123 0.320 4.599) 4.612 5.477 ( 4.344 4.247 -6.246) 8.713 5.477 ( 4.344 4.247 6.246) 8.713 5.671 ( 8.850 9.637 -2.281) 13.282 5.671 ( 8.850 9.637 2.281) 13.282 5.963 ( 3.741 5.993 -5.298) 8.831 5.963 ( 3.741 5.993 5.298) 8.831 6.272 ( 3.963 7.728 -3.380) 9.320 6.272 ( 3.963 7.728 3.380) 9.320 6.480 ( -2.608 13.700 -2.085) 14.101 6.480 ( -2.608 13.700 2.085) 14.101 6.872 ( -0.168 11.244 -1.615) 11.361 6.872 ( -0.168 11.244 1.615) 11.361 7.111 ( 0.575 6.845 -6.487) 9.448 7.111 ( 0.575 6.845 6.487) 9.448 7.304 ( -5.544 11.317 -4.874) 13.512 7.304 ( -5.544 11.317 4.874) 13.512 7.456 ( -0.335 9.359 -7.851) 12.221 7.456 ( -0.335 9.359 7.851) 12.221 7.638 ( 6.476 3.123 -7.373) 10.298 7.638 ( 6.476 3.123 7.373) 10.298 7.766 ( 0.685 0.406 -2.394) 2.523 7.766 ( 0.685 0.406 2.394) 2.523 7.978 ( -10.222 9.003 -1.609) 13.716 7.978 ( -10.222 9.003 1.609) 13.716 8.141 ( -4.428 4.577 -1.677) 6.586 8.141 ( -4.428 4.577 1.677) 6.586 8.488 ( -4.804 -1.322 -2.308) 5.491 8.488 ( -4.804 -1.322 2.308) 5.491 8.803 ( -5.421 4.768 -3.114) 7.862 8.803 ( -5.421 4.768 3.114) 7.862 8.882 ( 2.784 2.322 -3.189) 4.829 8.882 ( 2.784 2.322 3.189) 4.829 9.148 ( 2.301 4.890 -1.099) 5.515 9.148 ( 2.301 4.890 1.099) 5.515 10.062 ( 0.796 9.208 -1.575) 9.376 10.062 ( 0.796 9.208 1.575) 9.376 10.279 ( -1.034 9.050 -3.668) 9.820 10.279 ( -1.034 9.050 3.668) 9.820 10.464 ( 7.212 8.476 -3.180) 11.575 10.464 ( 7.212 8.476 3.180) 11.575 11.007 ( -5.133 2.162 -7.344) 9.217 11.007 ( -5.133 2.162 7.344) 9.217 11.238 ( 0.466 -2.615 -3.186) 4.148 11.238 ( 0.466 -2.615 3.186) 4.148 11.450 ( -5.059 -0.653 -10.210) 11.413 11.450 ( -5.059 -0.653 10.210) 11.413 12.031 ( 2.132 -4.092 -2.397) 5.199 12.031 ( 2.132 -4.092 2.397) 5.199 12.130 ( 1.821 -2.978 -3.856) 5.201 12.130 ( 1.821 -2.978 3.856) 5.201 13.823 ( -4.084 3.613 -3.368) 6.409 13.823 ( -4.084 3.613 3.368) 6.409 13.979 ( -5.445 3.139 -2.953) 6.944 13.979 ( -5.445 3.139 2.953) 6.944 14.294 ( 5.852 0.270 -2.061) 6.210 14.294 ( 5.852 0.270 2.061) 6.210 14.402 ( 3.397 3.111 -2.144) 5.081 14.402 ( 3.397 3.111 2.144) 5.081 15.293 ( 1.812 0.097 -2.256) 2.895 15.293 ( 1.812 0.097 2.256) 2.895 15.617 ( -4.529 -0.519 -4.359) 6.307 15.617 ( -4.529 -0.519 4.359) 6.307 15.833 ( 1.823 -0.154 -1.519) 2.378 15.833 ( 1.823 -0.154 1.519) 2.378 16.022 ( -1.231 1.899 -1.454) 2.690 16.022 ( -1.231 1.899 1.454) 2.690 17.731 ( 1.787 -2.063 -0.175) 2.735 17.731 ( 1.787 -2.063 0.175) 2.735 17.773 ( 1.029 -1.924 -0.565) 2.254 17.773 ( 1.029 -1.924 0.565) 2.254 18.435 ( -3.180 -0.803 -4.271) 5.385 18.435 ( -3.180 -0.803 4.271) 5.385 18.513 ( -2.523 -3.068 -3.546) 5.325 18.513 ( -2.523 -3.068 3.546) 5.325 18.689 ( 0.862 -1.860 -1.966) 2.840 18.689 ( 0.862 -1.860 1.966) 2.840 18.760 ( -0.460 -4.267 -3.075) 5.280 18.760 ( -0.460 -4.267 3.075) 5.280 19.005 ( 7.498 -4.184 -3.789) 9.385 19.005 ( 7.498 -4.184 3.789) 9.385 19.384 ( -1.937 -3.942 -3.116) 5.385 19.384 ( -1.937 -3.942 3.116) 5.385 19.568 ( 1.523 -5.996 -2.748) 6.769 19.568 ( 1.523 -5.996 2.748) 6.769 19.724 ( -2.103 -5.216 -1.762) 5.893 19.724 ( -2.103 -5.216 1.762) 5.893 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -1.013 15.693 -10.288) 18.793 2.366 ( -1.013 15.693 10.288) 18.793 2.628 ( 14.191 7.775 -13.022) 20.770 2.628 ( 14.191 7.775 13.022) 20.770 2.855 ( -4.819 9.507 -13.544) 17.235 2.855 ( -4.819 9.507 13.544) 17.235 3.052 ( -14.115 10.639 -11.194) 20.922 3.052 ( -14.115 10.639 11.194) 20.922 3.498 ( 7.931 3.806 -2.974) 9.286 3.498 ( 7.931 3.806 2.974) 9.286 3.720 ( -13.755 4.478 -4.472) 15.141 3.720 ( -13.755 4.478 4.472) 15.141 4.255 ( 15.230 3.146 -4.948) 16.320 4.255 ( 15.230 3.146 4.948) 16.320 4.468 ( -5.290 3.886 -6.426) 9.186 4.468 ( -5.290 3.886 6.426) 9.186 4.685 ( 1.441 2.119 -7.323) 7.759 4.685 ( 1.441 2.119 7.323) 7.759 4.941 ( -6.659 2.406 -9.527) 11.870 4.941 ( -6.659 2.406 9.527) 11.870 5.286 ( 5.499 -0.657 -4.172) 6.933 5.286 ( 5.499 -0.657 4.172) 6.933 5.566 ( 2.830 2.593 -7.483) 8.410 5.566 ( 2.830 2.593 7.483) 8.410 5.849 ( 7.741 11.789 -5.566) 15.162 5.849 ( 7.741 11.789 5.566) 15.162 6.010 ( 0.478 1.156 -2.591) 2.877 6.010 ( 0.478 1.156 2.591) 2.877 6.294 ( -1.438 13.675 -7.703) 15.761 6.294 ( -1.438 13.675 7.703) 15.761 6.483 ( 1.791 19.258 -5.355) 20.068 6.483 ( 1.791 19.258 5.355) 20.068 6.885 ( 3.001 9.571 -6.206) 11.795 6.885 ( 3.001 9.571 6.206) 11.795 7.082 ( -6.672 8.706 -4.559) 11.878 7.082 ( -6.672 8.706 4.559) 11.878 7.215 ( 0.310 5.753 -10.080) 11.610 7.215 ( 0.310 5.753 10.080) 11.610 7.489 ( 1.286 8.474 -7.695) 11.518 7.489 ( 1.286 8.474 7.695) 11.518 7.667 ( 0.858 6.709 -2.755) 7.303 7.667 ( 0.858 6.709 2.755) 7.303 7.778 ( -8.073 8.204 -2.426) 11.763 7.778 ( -8.073 8.204 2.426) 11.763 7.868 ( 6.533 1.521 -4.359) 8.000 7.868 ( 6.533 1.521 4.359) 8.000 8.031 ( -6.246 3.128 -1.618) 7.170 8.031 ( -6.246 3.128 1.618) 7.170 8.457 ( 1.685 -1.106 -4.744) 5.154 8.457 ( 1.685 -1.106 4.744) 5.154 8.611 ( -8.610 2.512 -6.576) 11.121 8.611 ( -8.610 2.512 6.576) 11.121 9.017 ( 6.089 3.992 -2.187) 7.602 9.017 ( 6.089 3.992 2.187) 7.602 9.141 ( -2.358 4.501 -3.092) 5.948 9.141 ( -2.358 4.501 3.092) 5.948 10.072 ( 0.206 8.692 -2.011) 8.924 10.072 ( 0.206 8.692 2.011) 8.924 10.264 ( -0.418 9.618 -3.438) 10.222 10.264 ( -0.418 9.618 3.438) 10.222 10.640 ( 9.868 7.724 -3.754) 13.082 10.640 ( 9.868 7.724 3.754) 13.082 10.868 ( -8.679 5.682 -5.031) 11.530 10.868 ( -8.679 5.682 5.031) 11.530 11.247 ( 0.409 -3.603 -3.863) 5.298 11.247 ( 0.409 -3.603 3.863) 5.298 11.360 ( -3.085 -0.517 -1.688) 3.554 11.360 ( -3.085 -0.517 1.688) 3.554 12.077 ( 1.804 -5.081 -3.462) 6.407 12.077 ( 1.804 -5.081 3.462) 6.407 12.157 ( 0.713 -2.924 -3.824) 4.866 12.157 ( 0.713 -2.924 3.824) 4.866 13.767 ( -1.340 3.495 -2.507) 4.505 13.767 ( -1.340 3.495 2.507) 4.505 13.884 ( -3.334 4.785 -2.759) 6.452 13.884 ( -3.334 4.785 2.759) 6.452 14.382 ( 2.495 0.223 -2.379) 3.455 14.382 ( 2.495 0.223 2.379) 3.455 14.460 ( 1.945 2.957 -1.688) 3.921 14.460 ( 1.945 2.957 1.688) 3.921 15.359 ( 4.956 -0.448 -3.872) 6.305 15.359 ( 4.956 -0.448 3.872) 6.305 15.499 ( -6.762 -0.508 -4.067) 7.907 15.499 ( -6.762 -0.508 4.067) 7.907 15.877 ( 2.086 0.581 -1.940) 2.907 15.877 ( 2.086 0.581 1.940) 2.907 15.992 ( -1.527 1.470 -2.341) 3.158 15.992 ( -1.527 1.470 2.341) 3.158 17.752 ( 0.412 -1.725 -2.183) 2.813 17.752 ( 0.412 -1.725 2.183) 2.813 17.797 ( 0.897 -1.455 -1.243) 2.113 17.797 ( 0.897 -1.455 1.243) 2.113 18.417 ( 1.234 -1.293 -2.312) 2.922 18.417 ( 1.234 -1.293 2.312) 2.922 18.465 ( -2.479 -2.755 -2.607) 4.531 18.465 ( -2.479 -2.755 2.607) 4.531 18.696 ( 0.318 -1.330 -2.354) 2.722 18.696 ( 0.318 -1.330 2.354) 2.722 18.732 ( -1.639 -3.547 -0.899) 4.009 18.732 ( -1.639 -3.547 0.899) 4.009 19.170 ( 8.436 -5.463 -5.742) 11.575 19.170 ( 8.436 -5.463 5.742) 11.575 19.310 ( -5.688 -5.289 -5.182) 9.337 19.310 ( -5.688 -5.289 5.182) 9.337 19.612 ( 2.723 -5.611 -1.492) 6.413 19.612 ( 2.723 -5.611 1.492) 6.413 19.674 ( -2.796 -5.150 -1.794) 6.128 19.674 ( -2.796 -5.150 1.794) 6.128 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 10.127 -4.937) 11.266 2.535 ( 0.000 10.127 4.937) 11.266 2.735 ( 0.000 13.638 -3.112) 13.988 2.735 ( 0.000 13.638 3.112) 13.988 3.026 ( 0.000 1.221 -0.139) 1.229 3.026 ( 0.000 1.221 0.139) 1.229 3.477 ( 0.000 1.881 -0.279) 1.901 3.477 ( 0.000 1.881 0.279) 1.901 3.574 ( 0.000 8.804 -2.012) 9.031 3.574 ( 0.000 8.804 2.012) 9.031 3.937 ( 0.000 -0.152 -5.383) 5.385 3.937 ( 0.000 -0.152 5.383) 5.385 4.356 ( 0.000 6.051 -0.025) 6.051 4.356 ( 0.000 6.051 0.025) 6.051 4.472 ( 0.000 5.048 -2.064) 5.454 4.472 ( 0.000 5.048 2.064) 5.454 4.688 ( 0.000 -2.482 -0.338) 2.505 4.688 ( 0.000 -2.482 0.338) 2.505 4.963 ( 0.000 -1.086 -3.672) 3.829 4.963 ( 0.000 -1.086 3.672) 3.829 5.177 ( 0.000 -0.148 -0.671) 0.687 5.177 ( 0.000 -0.148 0.671) 0.687 5.488 ( 0.000 0.700 -1.324) 1.497 5.488 ( 0.000 0.700 1.324) 1.497 5.720 ( 0.000 5.931 -0.764) 5.980 5.720 ( 0.000 5.931 0.764) 5.980 5.979 ( 0.000 -3.278 -8.040) 8.683 5.979 ( 0.000 -3.278 8.040) 8.683 6.383 ( 0.000 8.633 -0.854) 8.675 6.383 ( 0.000 8.633 0.854) 8.675 6.678 ( 0.000 4.709 -3.433) 5.827 6.678 ( 0.000 4.709 3.433) 5.827 7.008 ( 0.000 -1.089 -1.534) 1.881 7.008 ( 0.000 -1.089 1.534) 1.881 7.241 ( 0.000 6.790 -9.865) 11.976 7.241 ( 0.000 6.790 9.865) 11.976 7.495 ( 0.000 -0.562 -1.088) 1.225 7.495 ( 0.000 -0.562 1.088) 1.225 7.575 ( 0.000 3.107 -5.576) 6.383 7.575 ( 0.000 3.107 5.576) 6.383 7.679 ( 0.000 12.364 -2.138) 12.548 7.679 ( 0.000 12.364 2.138) 12.548 7.961 ( 0.000 14.835 -2.277) 15.009 7.961 ( 0.000 14.835 2.277) 15.009 8.266 ( 0.000 5.551 -1.334) 5.709 8.266 ( 0.000 5.551 1.334) 5.709 8.335 ( 0.000 10.698 -0.177) 10.700 8.335 ( 0.000 10.698 0.177) 10.700 8.616 ( 0.000 2.091 -0.879) 2.268 8.616 ( 0.000 2.091 0.879) 2.268 8.800 ( 0.000 7.882 -1.544) 8.032 8.800 ( 0.000 7.882 1.544) 8.032 9.115 ( 0.000 6.468 -4.318) 7.777 9.115 ( 0.000 6.468 4.318) 7.777 9.195 ( 0.000 5.794 -1.377) 5.956 9.195 ( 0.000 5.794 1.377) 5.956 10.225 ( 0.000 7.394 -1.845) 7.621 10.225 ( 0.000 7.394 1.845) 7.621 10.425 ( 0.000 4.178 -2.886) 5.078 10.425 ( 0.000 4.178 2.886) 5.078 10.539 ( 0.000 6.214 -1.609) 6.419 10.539 ( 0.000 6.214 1.609) 6.419 11.042 ( 0.000 -1.612 -5.465) 5.698 11.042 ( 0.000 -1.612 5.465) 5.698 11.194 ( 0.000 -1.835 -6.134) 6.403 11.194 ( 0.000 -1.835 6.134) 6.403 11.435 ( 0.000 -5.266 -7.708) 9.335 11.435 ( 0.000 -5.266 7.708) 9.335 11.942 ( 0.000 -3.074 -0.576) 3.128 11.942 ( 0.000 -3.074 0.576) 3.128 12.064 ( 0.000 -1.529 -0.850) 1.750 12.064 ( 0.000 -1.529 0.850) 1.750 13.936 ( 0.000 2.027 -2.381) 3.127 13.936 ( 0.000 2.027 2.381) 3.127 14.081 ( 0.000 1.683 -3.024) 3.461 14.081 ( 0.000 1.683 3.024) 3.461 14.216 ( 0.000 -0.222 -2.189) 2.200 14.216 ( 0.000 -0.222 2.189) 2.200 14.440 ( 0.000 3.723 -0.481) 3.754 14.440 ( 0.000 3.723 0.481) 3.754 15.287 ( 0.000 0.448 -0.449) 0.635 15.287 ( 0.000 0.448 0.449) 0.635 15.651 ( 0.000 -0.329 -2.257) 2.281 15.651 ( 0.000 -0.329 2.257) 2.281 15.810 ( 0.000 -0.219 -1.640) 1.654 15.810 ( 0.000 -0.219 1.640) 1.654 16.075 ( 0.000 1.904 -0.558) 1.984 16.075 ( 0.000 1.904 0.558) 1.984 17.671 ( 0.000 -1.581 -0.615) 1.696 17.671 ( 0.000 -1.581 0.615) 1.696 17.722 ( 0.000 -1.711 -0.298) 1.737 17.722 ( 0.000 -1.711 0.298) 1.737 18.430 ( 0.000 -2.566 -1.283) 2.869 18.430 ( 0.000 -2.566 1.283) 2.869 18.509 ( 0.000 -2.470 -4.343) 4.997 18.509 ( 0.000 -2.470 4.343) 4.997 18.633 ( 0.000 -0.617 -2.978) 3.041 18.633 ( 0.000 -0.617 2.978) 3.041 18.694 ( 0.000 -1.970 -2.264) 3.001 18.694 ( 0.000 -1.970 2.264) 3.001 18.855 ( 0.000 -3.561 -1.289) 3.787 18.855 ( 0.000 -3.561 1.289) 3.787 19.335 ( 0.000 -2.701 -1.453) 3.067 19.335 ( 0.000 -2.701 1.453) 3.067 19.462 ( 0.000 -3.424 -2.152) 4.044 19.462 ( 0.000 -3.424 2.152) 4.044 19.648 ( 0.000 -4.011 -1.169) 4.177 19.648 ( 0.000 -4.011 1.169) 4.177 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 4.490 8.193 -6.387) 11.317 2.583 ( 4.490 8.193 6.387) 11.317 2.724 ( -1.378 12.552 -4.700) 13.474 2.724 ( -1.378 12.552 4.700) 13.474 3.009 ( 0.357 4.223 -4.412) 6.118 3.009 ( 0.357 4.223 4.412) 6.118 3.425 ( -7.138 2.187 -3.820) 8.387 3.425 ( -7.138 2.187 3.820) 8.387 3.558 ( -2.395 7.586 -6.931) 10.551 3.558 ( -2.395 7.586 6.931) 10.551 4.011 ( 10.778 2.263 -5.996) 12.540 4.011 ( 10.778 2.263 5.996) 12.540 4.161 ( -16.358 6.515 -2.902) 17.845 4.161 ( -16.358 6.515 2.902) 17.845 4.510 ( 4.310 0.564 -5.680) 7.153 4.510 ( 4.310 0.564 5.680) 7.153 4.729 ( 0.067 1.200 -2.957) 3.192 4.729 ( 0.067 1.200 2.957) 3.192 5.012 ( 3.276 -2.005 -6.529) 7.575 5.012 ( 3.276 -2.005 6.529) 7.575 5.159 ( -1.162 -1.439 -4.298) 4.679 5.159 ( -1.162 -1.439 4.298) 4.679 5.533 ( 2.929 1.591 -6.062) 6.918 5.533 ( 2.929 1.591 6.062) 6.918 5.795 ( 7.522 1.611 -2.223) 8.007 5.795 ( 7.522 1.611 2.223) 8.007 6.000 ( 1.941 -0.247 -6.514) 6.802 6.000 ( 1.941 -0.247 6.514) 6.802 6.459 ( 7.238 7.984 -2.505) 11.064 6.459 ( 7.238 7.984 2.505) 11.064 6.708 ( 3.202 6.410 -5.831) 9.238 6.708 ( 3.202 6.410 5.831) 9.238 6.985 ( -2.316 0.487 -5.953) 6.406 6.985 ( -2.316 0.487 5.953) 6.406 7.219 ( -1.716 4.911 -6.545) 8.360 7.219 ( -1.716 4.911 6.545) 8.360 7.457 ( -4.841 3.410 -3.713) 6.989 7.457 ( -4.841 3.410 3.713) 6.989 7.564 ( 0.506 2.046 -5.582) 5.967 7.564 ( 0.506 2.046 5.582) 5.967 7.758 ( 5.728 8.200 -5.665) 11.496 7.758 ( 5.728 8.200 5.665) 11.496 7.956 ( -0.621 14.413 -3.020) 14.739 7.956 ( -0.621 14.413 3.020) 14.739 8.185 ( -7.526 9.735 -0.739) 12.327 8.185 ( -7.526 9.735 0.739) 12.327 8.276 ( -5.127 8.164 -2.470) 9.952 8.276 ( -5.127 8.164 2.470) 9.952 8.510 ( -5.053 5.024 -1.805) 7.350 8.510 ( -5.053 5.024 1.805) 7.350 8.905 ( -0.423 5.780 -2.616) 6.359 8.905 ( -0.423 5.780 2.616) 6.359 8.992 ( -1.698 7.253 -2.758) 7.943 8.992 ( -1.698 7.253 2.758) 7.943 9.251 ( 1.434 4.783 -1.484) 5.209 9.251 ( 1.434 4.783 1.484) 5.209 10.225 ( -0.136 6.562 -1.897) 6.832 10.225 ( -0.136 6.562 1.897) 6.832 10.427 ( 0.115 5.485 -2.772) 6.147 10.427 ( 0.115 5.485 2.772) 6.147 10.601 ( 6.232 5.108 -2.740) 8.511 10.601 ( 6.232 5.108 2.740) 8.511 11.016 ( -2.660 -0.766 -4.293) 5.108 11.016 ( -2.660 -0.766 4.293) 5.108 11.186 ( -0.896 -2.731 -5.268) 6.001 11.186 ( -0.896 -2.731 5.268) 6.001 11.403 ( -3.178 -3.701 -6.158) 7.856 11.403 ( -3.178 -3.701 6.158) 7.856 11.953 ( 1.273 -3.317 -1.773) 3.971 11.953 ( 1.273 -3.317 1.773) 3.971 12.081 ( 1.467 -1.825 -2.472) 3.405 12.081 ( 1.467 -1.825 2.472) 3.405 13.880 ( -3.940 2.049 -2.062) 4.896 13.880 ( -3.940 2.049 2.062) 4.896 14.041 ( -3.677 2.699 -2.698) 5.299 14.041 ( -3.677 2.699 2.698) 5.299 14.294 ( 6.009 -0.129 -2.330) 6.446 14.294 ( 6.009 -0.129 2.330) 6.446 14.470 ( 2.701 3.216 -1.124) 4.348 14.470 ( 2.701 3.216 1.124) 4.348 15.295 ( 1.202 0.110 -1.912) 2.261 15.295 ( 1.202 0.110 1.912) 2.261 15.608 ( -4.621 -0.403 -3.112) 5.586 15.608 ( -4.621 -0.403 3.112) 5.586 15.832 ( 2.467 0.098 -1.596) 2.940 15.832 ( 2.467 0.098 1.596) 2.940 16.060 ( -1.541 1.750 -1.065) 2.563 16.060 ( -1.541 1.750 1.065) 2.563 17.691 ( 1.663 -1.797 -0.186) 2.455 17.691 ( 1.663 -1.797 0.186) 2.455 17.739 ( 1.588 -1.392 -0.274) 2.130 17.739 ( 1.588 -1.392 0.274) 2.130 18.410 ( -1.741 -1.610 -3.336) 4.093 18.410 ( -1.741 -1.610 3.336) 4.093 18.462 ( -2.697 -1.646 -2.146) 3.820 18.462 ( -2.697 -1.646 2.146) 3.820 18.650 ( 0.489 -2.166 -2.018) 3.001 18.650 ( 0.489 -2.166 2.018) 3.001 18.700 ( 0.110 -1.433 -2.374) 2.775 18.700 ( 0.110 -1.433 2.374) 2.775 18.918 ( 6.036 -4.262 -3.045) 7.992 18.918 ( 6.036 -4.262 3.045) 7.992 19.306 ( -3.456 -3.570 -1.865) 5.307 19.306 ( -3.456 -3.570 1.865) 5.307 19.473 ( 1.592 -3.337 -1.700) 4.070 19.473 ( 1.592 -3.337 1.700) 4.070 19.633 ( -1.545 -3.622 -1.202) 4.117 19.633 ( -1.545 -3.622 1.202) 4.117 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -0.952 8.603 -8.569) 12.180 2.625 ( -0.952 8.603 8.569) 12.180 2.779 ( 8.386 6.066 -11.222) 15.266 2.779 ( 8.386 6.066 11.222) 15.266 2.990 ( -5.984 6.868 -10.765) 14.102 2.990 ( -5.984 6.868 10.765) 14.102 3.283 ( -2.715 10.456 -4.852) 11.843 3.283 ( -2.715 10.456 4.852) 11.843 3.550 ( 1.563 1.637 -8.721) 9.010 3.550 ( 1.563 1.637 8.721) 9.010 3.840 ( -12.126 6.818 -0.947) 13.943 3.840 ( -12.126 6.818 0.947) 13.943 4.316 ( 15.477 3.390 -3.925) 16.323 4.316 ( 15.477 3.390 3.925) 16.323 4.535 ( -4.334 2.761 -7.780) 9.324 4.535 ( -4.334 2.761 7.780) 9.324 4.701 ( -0.320 -0.326 -6.797) 6.812 4.701 ( -0.320 -0.326 6.797) 6.812 4.970 ( -5.417 0.951 -11.346) 12.609 4.970 ( -5.417 0.951 11.346) 12.609 5.212 ( 4.217 -5.861 -6.505) 9.718 5.212 ( 4.217 -5.861 6.505) 9.718 5.563 ( 0.303 -3.075 -8.046) 8.619 5.563 ( 0.303 -3.075 8.046) 8.619 5.948 ( 6.245 1.181 -2.035) 6.674 5.948 ( 6.245 1.181 2.035) 6.674 6.029 ( 0.157 1.772 -4.680) 5.007 6.029 ( 0.157 1.772 4.680) 5.007 6.619 ( 7.779 11.607 -5.746) 15.108 6.619 ( 7.779 11.607 5.746) 15.108 6.768 ( -0.403 7.251 -10.209) 12.528 6.768 ( -0.403 7.251 10.209) 12.528 6.967 ( 3.966 0.338 -10.241) 10.987 6.967 ( 3.966 0.338 10.241) 10.987 7.160 ( -6.018 0.912 -4.149) 7.366 7.160 ( -6.018 0.912 4.149) 7.366 7.342 ( -4.225 8.317 -4.422) 10.324 7.342 ( -4.225 8.317 4.422) 10.324 7.584 ( 0.797 0.721 -7.715) 7.790 7.584 ( 0.797 0.721 7.715) 7.790 7.838 ( 2.581 7.209 -3.667) 8.490 7.838 ( 2.581 7.209 3.667) 8.490 7.946 ( -1.578 6.698 -3.219) 7.597 7.946 ( -1.578 6.698 3.219) 7.597 8.047 ( -3.376 14.679 -3.939) 15.569 8.047 ( -3.376 14.679 3.939) 15.569 8.183 ( -3.747 10.560 -4.761) 12.174 8.183 ( -3.747 10.560 4.761) 12.174 8.501 ( 3.840 6.331 -4.745) 8.794 8.501 ( 3.840 6.331 4.745) 8.794 8.723 ( -9.902 8.626 -6.578) 14.688 8.723 ( -9.902 8.626 6.578) 14.688 9.108 ( 6.031 4.364 -1.242) 7.547 9.108 ( 6.031 4.364 1.242) 7.547 9.234 ( -2.584 4.355 -2.051) 5.464 9.234 ( -2.584 4.355 2.051) 5.464 10.220 ( -0.216 5.675 -2.846) 6.353 10.220 ( -0.216 5.675 2.846) 6.353 10.428 ( -0.024 6.402 -3.142) 7.131 10.428 ( -0.024 6.402 3.142) 7.131 10.751 ( 7.854 3.310 -3.276) 9.131 10.751 ( 7.854 3.310 3.276) 9.131 10.938 ( -5.184 1.648 -3.235) 6.329 10.938 ( -5.184 1.648 3.235) 6.329 11.165 ( -0.849 -4.279 -4.712) 6.422 11.165 ( -0.849 -4.279 4.712) 6.422 11.340 ( -2.261 -1.524 -1.916) 3.333 11.340 ( -2.261 -1.524 1.916) 3.333 11.983 ( 1.207 -3.908 -2.303) 4.694 11.983 ( 1.207 -3.908 2.303) 4.694 12.106 ( 0.790 -2.016 -2.654) 3.425 12.106 ( 0.790 -2.016 2.654) 3.425 13.827 ( -1.314 2.367 -1.796) 3.249 13.827 ( -1.314 2.367 1.796) 3.249 13.972 ( -2.464 3.687 -2.338) 5.014 13.972 ( -2.464 3.687 2.338) 5.014 14.384 ( 2.510 -0.010 -2.368) 3.451 14.384 ( 2.510 -0.010 2.368) 3.451 14.521 ( 1.890 2.849 -1.281) 3.651 14.521 ( 1.890 2.849 1.281) 3.651 15.350 ( 4.486 -0.439 -3.104) 5.473 15.350 ( 4.486 -0.439 3.104) 5.473 15.488 ( -6.751 -0.551 -3.081) 7.441 15.488 ( -6.751 -0.551 3.081) 7.441 15.891 ( 2.704 0.675 -1.928) 3.388 15.891 ( 2.704 0.675 1.928) 3.388 16.022 ( -1.981 1.401 -2.143) 3.237 16.022 ( -1.981 1.401 2.143) 3.237 17.718 ( 0.844 -1.563 -1.307) 2.206 17.718 ( 0.844 -1.563 1.307) 2.206 17.768 ( 0.979 -1.278 -0.918) 1.853 17.768 ( 0.979 -1.278 0.918) 1.853 18.393 ( 0.364 -1.247 -2.606) 2.912 18.393 ( 0.364 -1.247 2.606) 2.912 18.421 ( -1.805 -1.341 -0.605) 2.328 18.421 ( -1.805 -1.341 0.605) 2.328 18.653 ( 0.010 -2.948 -1.415) 3.270 18.653 ( 0.010 -2.948 1.415) 3.270 18.693 ( -0.472 -0.028 -2.704) 2.745 18.693 ( -0.472 -0.028 2.704) 2.745 19.057 ( 7.713 -5.478 -4.218) 10.358 19.057 ( 7.713 -5.478 4.218) 10.358 19.202 ( -6.844 -5.046 -3.417) 9.164 19.202 ( -6.844 -5.046 3.417) 9.164 19.524 ( 3.253 -3.087 -0.962) 4.587 19.524 ( 3.253 -3.087 0.962) 4.587 19.589 ( -2.822 -3.131 -1.325) 4.418 19.589 ( -2.822 -3.131 1.325) 4.418 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.000 6.541 -0.150) 6.542 2.709 ( 0.000 6.541 0.150) 6.542 2.898 ( 0.000 2.659 -0.218) 2.667 2.898 ( 0.000 2.659 0.218) 2.667 3.087 ( 0.000 3.477 -1.339) 3.726 3.087 ( 0.000 3.477 1.339) 3.726 3.551 ( 0.000 5.848 -0.665) 5.885 3.551 ( 0.000 5.848 0.665) 5.885 3.733 ( 0.000 6.393 -1.185) 6.502 3.733 ( 0.000 6.393 1.185) 6.502 3.910 ( 0.000 -2.036 -2.827) 3.484 3.910 ( 0.000 -2.036 2.827) 3.484 4.403 ( 0.000 -0.743 -4.804) 4.861 4.403 ( 0.000 -0.743 4.804) 4.861 4.509 ( 0.000 -7.650 -0.284) 7.655 4.509 ( 0.000 -7.650 0.284) 7.655 4.642 ( 0.000 6.173 -4.407) 7.585 4.642 ( 0.000 6.173 4.407) 7.585 4.990 ( 0.000 1.523 -3.724) 4.024 4.990 ( 0.000 1.523 3.724) 4.024 5.206 ( 0.000 2.980 -2.899) 4.158 5.206 ( 0.000 2.980 2.899) 4.158 5.516 ( 0.000 1.635 -2.302) 2.824 5.516 ( 0.000 1.635 2.302) 2.824 5.728 ( 0.000 -4.669 -0.650) 4.714 5.728 ( 0.000 -4.669 0.650) 4.714 5.932 ( 0.000 0.125 -2.274) 2.277 5.932 ( 0.000 0.125 2.274) 2.277 6.492 ( 0.000 2.006 -5.678) 6.022 6.492 ( 0.000 2.006 5.678) 6.022 6.721 ( 0.000 0.476 -0.578) 0.748 6.721 ( 0.000 0.476 0.578) 0.748 6.934 ( 0.000 -3.818 -0.660) 3.875 6.934 ( 0.000 -3.818 0.660) 3.875 7.331 ( 0.000 1.481 -5.481) 5.677 7.331 ( 0.000 1.481 5.481) 5.677 7.489 ( 0.000 0.014 -1.547) 1.547 7.489 ( 0.000 0.014 1.547) 1.547 7.616 ( 0.000 1.130 -1.738) 2.073 7.616 ( 0.000 1.130 1.738) 2.073 7.908 ( 0.000 9.580 -4.339) 10.517 7.908 ( 0.000 9.580 4.339) 10.517 8.230 ( 0.000 9.106 -0.267) 9.110 8.230 ( 0.000 9.106 0.267) 9.110 8.371 ( 0.000 4.487 -1.032) 4.604 8.371 ( 0.000 4.487 1.032) 4.604 8.496 ( 0.000 4.557 -0.627) 4.600 8.496 ( 0.000 4.557 0.627) 4.600 8.711 ( 0.000 6.075 -1.427) 6.240 8.711 ( 0.000 6.075 1.427) 6.240 8.965 ( 0.000 7.435 -0.653) 7.463 8.965 ( 0.000 7.435 0.653) 7.463 9.207 ( 0.000 0.964 -1.033) 1.413 9.207 ( 0.000 0.964 1.033) 1.413 9.334 ( 0.000 7.722 -2.394) 8.084 9.334 ( 0.000 7.722 2.394) 8.084 10.347 ( 0.000 4.269 -1.825) 4.643 10.347 ( 0.000 4.269 1.825) 4.643 10.478 ( 0.000 1.537 -0.127) 1.542 10.478 ( 0.000 1.537 0.127) 1.542 10.650 ( 0.000 4.935 -0.348) 4.947 10.650 ( 0.000 4.935 0.348) 4.947 11.008 ( 0.000 -1.633 -2.940) 3.363 11.008 ( 0.000 -1.633 2.940) 3.363 11.132 ( 0.000 -4.645 -6.807) 8.241 11.132 ( 0.000 -4.645 6.807) 8.241 11.332 ( 0.000 -3.650 -1.635) 4.000 11.332 ( 0.000 -3.650 1.635) 4.000 11.892 ( 0.000 -1.732 -0.059) 1.733 11.892 ( 0.000 -1.732 0.059) 1.733 12.040 ( 0.000 -0.815 -0.559) 0.989 12.040 ( 0.000 -0.815 0.559) 0.989 13.965 ( 0.000 0.839 -0.953) 1.270 13.965 ( 0.000 0.839 0.953) 1.270 14.111 ( 0.000 1.146 -2.125) 2.414 14.111 ( 0.000 1.146 2.125) 2.414 14.210 ( 0.000 -0.280 -1.732) 1.755 14.210 ( 0.000 -0.280 1.732) 1.755 14.503 ( 0.000 2.252 -0.101) 2.254 14.503 ( 0.000 2.252 0.101) 2.254 15.295 ( 0.000 0.298 -0.215) 0.368 15.295 ( 0.000 0.298 0.215) 0.368 15.646 ( 0.000 -0.156 -1.160) 1.170 15.646 ( 0.000 -0.156 1.160) 1.170 15.807 ( 0.000 -0.055 -0.889) 0.890 15.807 ( 0.000 -0.055 0.889) 0.890 16.107 ( 0.000 1.139 -0.256) 1.167 16.107 ( 0.000 1.139 0.256) 1.167 17.645 ( 0.000 -0.953 -0.397) 1.032 17.645 ( 0.000 -0.953 0.397) 1.032 17.696 ( 0.000 -0.858 -0.125) 0.867 17.696 ( 0.000 -0.858 0.125) 0.867 18.386 ( 0.000 -1.559 -0.652) 1.690 18.386 ( 0.000 -1.559 0.652) 1.690 18.472 ( 0.000 -1.150 -2.342) 2.609 18.472 ( 0.000 -1.150 2.342) 2.609 18.613 ( 0.000 -1.122 -1.586) 1.943 18.613 ( 0.000 -1.122 1.586) 1.943 18.675 ( 0.000 -0.117 -0.813) 0.821 18.675 ( 0.000 -0.117 0.813) 0.821 18.793 ( 0.000 -2.303 -1.057) 2.534 18.793 ( 0.000 -2.303 1.057) 2.534 19.290 ( 0.000 -1.611 -0.711) 1.761 19.290 ( 0.000 -1.611 0.711) 1.761 19.413 ( 0.000 -1.436 -1.050) 1.779 19.413 ( 0.000 -1.436 1.050) 1.779 19.585 ( 0.000 -2.101 -0.479) 2.155 19.585 ( 0.000 -2.101 0.479) 2.155 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 1.128 4.906 -3.236) 5.984 2.720 ( 1.128 4.906 3.236) 5.984 2.865 ( -2.820 2.490 -5.304) 6.502 2.865 ( -2.820 2.490 5.304) 6.502 3.117 ( 3.325 4.766 -2.854) 6.474 3.117 ( 3.325 4.766 2.854) 6.474 3.486 ( -5.062 3.934 -2.401) 6.846 3.486 ( -5.062 3.934 2.401) 6.846 3.710 ( -4.227 6.723 -5.198) 9.492 3.710 ( -4.227 6.723 5.198) 9.492 4.001 ( 6.125 -1.826 -3.960) 7.519 4.001 ( 6.125 -1.826 3.960) 7.519 4.285 ( -6.428 3.966 -2.901) 8.091 4.285 ( -6.428 3.966 2.901) 8.091 4.512 ( 4.226 -1.148 -2.494) 5.040 4.512 ( 4.226 -1.148 2.494) 5.040 4.710 ( 1.124 -0.659 -1.527) 2.007 4.710 ( 1.124 -0.659 1.527) 2.007 4.991 ( 1.493 -0.329 -6.967) 7.132 4.991 ( 1.493 -0.329 6.967) 7.132 5.158 ( -5.200 1.149 -3.803) 6.544 5.158 ( -5.200 1.149 3.803) 6.544 5.532 ( -2.810 -1.765 -6.308) 7.128 5.532 ( -2.810 -1.765 6.308) 7.128 5.778 ( 9.378 -1.550 -2.075) 9.729 5.778 ( 9.378 -1.550 2.075) 9.729 6.011 ( 5.195 1.123 -2.342) 5.808 6.011 ( 5.195 1.123 2.342) 5.808 6.533 ( 4.223 0.117 -5.621) 7.031 6.533 ( 4.223 0.117 5.621) 7.031 6.771 ( 5.130 0.877 -4.003) 6.566 6.771 ( 5.130 0.877 4.003) 6.566 6.944 ( 0.501 -2.758 -5.674) 6.328 6.944 ( 0.501 -2.758 5.674) 6.328 7.299 ( -3.115 2.854 -3.213) 5.308 7.299 ( -3.115 2.854 3.213) 5.308 7.487 ( -0.366 -0.484 -2.876) 2.940 7.487 ( -0.366 -0.484 2.876) 2.940 7.602 ( -1.371 1.651 -0.739) 2.269 7.602 ( -1.371 1.651 0.739) 2.269 7.919 ( 0.970 6.994 -3.704) 7.973 7.919 ( 0.970 6.994 3.704) 7.973 8.185 ( -5.495 6.454 -0.382) 8.485 8.185 ( -5.495 6.454 0.382) 8.485 8.352 ( -1.738 6.237 -1.682) 6.690 8.352 ( -1.738 6.237 1.682) 6.690 8.446 ( -2.684 8.296 -2.546) 9.083 8.446 ( -2.684 8.296 2.546) 9.083 8.659 ( -3.534 6.984 -2.155) 8.119 8.659 ( -3.534 6.984 2.155) 8.119 9.028 ( 2.812 5.609 -2.431) 6.729 9.028 ( 2.812 5.609 2.431) 6.729 9.123 ( -4.676 4.018 -2.067) 6.502 9.123 ( -4.676 4.018 2.067) 6.502 9.349 ( -0.024 5.020 -2.073) 5.431 9.349 ( -0.024 5.020 2.073) 5.431 10.326 ( -1.517 3.211 -2.587) 4.394 10.326 ( -1.517 3.211 2.587) 4.394 10.511 ( 1.993 3.016 -2.166) 4.214 10.511 ( 1.993 3.016 2.166) 4.214 10.683 ( 3.825 3.225 -1.055) 5.113 10.683 ( 3.825 3.225 1.055) 5.113 10.991 ( -1.607 -1.492 -2.421) 3.267 10.991 ( -1.607 -1.492 2.421) 3.267 11.113 ( -1.681 -4.312 -5.225) 6.980 11.113 ( -1.681 -4.312 5.225) 6.980 11.328 ( -0.767 -2.834 -1.776) 3.432 11.328 ( -0.767 -2.834 1.776) 3.432 11.901 ( 0.963 -1.725 -1.381) 2.410 11.901 ( 0.963 -1.725 1.381) 2.410 12.053 ( 1.164 -0.951 -1.179) 1.910 12.053 ( 1.164 -0.951 1.179) 1.910 13.910 ( -3.615 0.926 -0.958) 3.853 13.910 ( -3.615 0.926 0.958) 3.853 14.085 ( -2.735 1.564 -1.761) 3.610 14.085 ( -2.735 1.564 1.761) 3.610 14.291 ( 6.191 -0.204 -1.717) 6.428 14.291 ( 6.191 -0.204 1.717) 6.428 14.525 ( 2.137 1.982 -0.636) 2.984 14.525 ( 2.137 1.982 0.636) 2.984 15.297 ( 0.676 0.073 -1.113) 1.304 15.297 ( 0.676 0.073 1.113) 1.304 15.601 ( -4.795 -0.234 -1.698) 5.092 15.601 ( -4.795 -0.234 1.698) 5.092 15.835 ( 2.950 0.145 -1.274) 3.217 15.835 ( 2.950 0.145 1.274) 3.217 16.090 ( -1.789 1.042 -0.912) 2.262 16.090 ( -1.789 1.042 0.912) 2.262 17.661 ( 1.554 -1.054 -0.130) 1.882 17.661 ( 1.554 -1.054 0.130) 1.882 17.717 ( 1.851 -0.724 -0.243) 2.003 17.717 ( 1.851 -0.724 0.243) 2.003 18.378 ( -0.748 -1.271 -1.394) 2.029 18.378 ( -0.748 -1.271 1.394) 2.029 18.443 ( -2.144 -0.466 -0.929) 2.382 18.443 ( -2.144 -0.466 0.929) 2.382 18.607 ( -0.458 -1.672 -1.454) 2.263 18.607 ( -0.458 -1.672 1.454) 2.263 18.694 ( 1.157 0.498 -1.539) 1.989 18.694 ( 1.157 0.498 1.539) 1.989 18.838 ( 4.556 -3.259 -1.924) 5.923 18.838 ( 4.556 -3.259 1.924) 5.923 19.245 ( -4.888 -2.225 -1.038) 5.470 19.245 ( -4.888 -2.225 1.038) 5.470 19.427 ( 1.857 -1.293 -0.800) 2.400 19.427 ( 1.857 -1.293 0.800) 2.400 19.577 ( -0.963 -1.825 -0.594) 2.147 19.577 ( -0.963 -1.825 0.594) 2.147 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.305 3.301 -2.619) 4.225 2.739 ( 0.305 3.301 2.619) 4.225 2.829 ( -0.366 0.102 -9.772) 9.779 2.829 ( -0.366 0.102 9.772) 9.779 3.175 ( 0.905 8.635 -6.590) 10.900 3.175 ( 0.905 8.635 6.590) 10.900 3.438 ( 2.929 4.684 -4.356) 7.035 3.438 ( 2.929 4.684 4.356) 7.035 3.589 ( -8.214 2.312 -7.169) 11.145 3.589 ( -8.214 2.312 7.169) 11.145 3.949 ( -4.487 3.102 -2.948) 6.201 3.949 ( -4.487 3.102 2.948) 6.201 4.408 ( 11.013 5.165 -4.704) 13.042 4.408 ( 11.013 5.165 4.704) 13.042 4.573 ( -1.241 0.488 -4.605) 4.795 4.573 ( -1.241 0.488 4.605) 4.795 4.703 ( 2.127 1.549 -8.425) 8.826 4.703 ( 2.127 1.549 8.425) 8.826 4.985 ( -6.722 0.278 -8.194) 10.602 4.985 ( -6.722 0.278 8.194) 10.602 5.083 ( 1.855 -5.543 -8.151) 10.030 5.083 ( 1.855 -5.543 8.151) 10.030 5.455 ( -3.152 -6.446 -8.244) 10.930 5.455 ( -3.152 -6.446 8.244) 10.930 5.966 ( 6.306 0.638 -1.891) 6.614 5.966 ( 6.306 0.638 1.891) 6.614 6.080 ( 1.780 2.937 -4.115) 5.359 6.080 ( 1.780 2.937 4.115) 5.359 6.641 ( 5.656 -4.476 -9.159) 11.658 6.641 ( 5.656 -4.476 9.159) 11.658 6.864 ( 0.298 0.667 -7.040) 7.078 6.864 ( 0.298 0.667 7.040) 7.078 6.958 ( 3.486 -0.363 -13.610) 14.054 6.958 ( 3.486 -0.363 13.610) 14.054 7.219 ( -4.471 5.781 -5.145) 8.937 7.219 ( -4.471 5.781 5.145) 8.937 7.492 ( 1.543 2.590 -1.333) 3.296 7.492 ( 1.543 2.590 1.333) 3.296 7.561 ( -2.720 -0.751 -3.163) 4.238 7.561 ( -2.720 -0.751 3.163) 4.238 7.945 ( 1.898 3.641 -1.895) 4.523 7.945 ( 1.898 3.641 1.895) 4.523 8.045 ( -6.755 3.170 -0.504) 7.479 8.045 ( -6.755 3.170 0.504) 7.479 8.318 ( -1.059 9.733 -3.026) 10.248 8.318 ( -1.059 9.733 3.026) 10.248 8.417 ( -1.212 11.825 -3.759) 12.467 8.417 ( -1.212 11.825 3.759) 12.467 8.652 ( 2.936 5.309 -4.001) 7.267 8.652 ( 2.936 5.309 4.001) 7.267 8.923 ( -7.211 9.152 -6.375) 13.282 8.923 ( -7.211 9.152 6.375) 13.282 9.181 ( 4.822 2.529 -0.845) 5.510 9.181 ( 4.822 2.529 0.845) 5.510 9.319 ( -2.574 3.875 -1.438) 4.869 9.319 ( -2.574 3.875 1.438) 4.869 10.304 ( -0.594 2.646 -3.484) 4.415 10.304 ( -0.594 2.646 3.484) 4.415 10.529 ( 0.154 3.554 -3.160) 4.758 10.529 ( 0.154 3.554 3.160) 4.758 10.784 ( 5.013 0.261 -2.900) 5.797 10.784 ( 5.013 0.261 2.900) 5.797 10.949 ( -2.469 -0.284 -2.235) 3.343 10.949 ( -2.469 -0.284 2.235) 3.343 11.081 ( -1.135 -3.510 -3.144) 4.847 11.081 ( -1.135 -3.510 3.144) 4.847 11.303 ( -1.187 -1.716 -2.325) 3.124 11.303 ( -1.187 -1.716 2.325) 3.124 11.923 ( 0.902 -1.904 -1.841) 2.797 11.923 ( 0.902 -1.904 1.841) 2.797 12.074 ( 0.720 -1.087 -1.383) 1.901 12.074 ( 0.720 -1.087 1.383) 1.901 13.863 ( -1.094 1.199 -0.897) 1.855 13.863 ( -1.094 1.199 0.897) 1.855 14.031 ( -2.019 2.002 -1.371) 3.156 14.031 ( -2.019 2.002 1.371) 3.156 14.383 ( 2.570 -0.100 -1.669) 3.066 14.383 ( 2.570 -0.100 1.669) 3.066 14.569 ( 1.765 1.729 -0.752) 2.583 14.569 ( 1.765 1.729 0.752) 2.583 15.342 ( 4.134 -0.281 -1.756) 4.500 15.342 ( 4.134 -0.281 1.756) 4.500 15.478 ( -6.839 -0.368 -1.665) 7.049 15.478 ( -6.839 -0.368 1.665) 7.049 15.903 ( 3.066 0.445 -1.798) 3.582 15.903 ( 3.066 0.445 1.798) 3.582 16.045 ( -2.238 0.865 -2.042) 3.151 16.045 ( -2.238 0.865 2.042) 3.151 17.692 ( 1.156 -0.939 -0.606) 1.608 17.692 ( 1.156 -0.939 0.606) 1.608 17.747 ( 0.858 -0.746 -0.685) 1.328 17.747 ( 0.858 -0.746 0.685) 1.328 18.367 ( -0.157 -0.994 -1.896) 2.146 18.367 ( -0.157 -0.994 1.896) 2.146 18.410 ( -1.038 0.018 -0.828) 1.328 18.410 ( -1.038 0.018 0.828) 1.328 18.600 ( -0.258 -2.027 -1.603) 2.597 18.600 ( -0.258 -2.027 1.603) 2.597 18.708 ( 0.295 1.185 -1.823) 2.194 18.708 ( 0.295 1.185 1.823) 2.194 18.956 ( 7.141 -4.088 -2.503) 8.601 18.956 ( 7.141 -4.088 2.503) 8.601 19.116 ( -7.689 -3.141 -1.714) 8.480 19.116 ( -7.689 -3.141 1.714) 8.480 19.481 ( 3.211 -1.261 -0.474) 3.482 19.481 ( 3.211 -1.261 0.474) 3.482 19.544 ( -2.440 -1.425 -0.681) 2.907 19.544 ( -2.440 -1.425 0.681) 2.907 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.000 0.001 -0.000) 0.001 2.782 ( 0.000 0.001 0.000) 0.001 2.912 ( 0.000 0.001 -0.000) 0.001 2.912 ( 0.000 0.001 0.000) 0.001 3.121 ( 0.000 0.001 -0.000) 0.001 3.121 ( 0.000 0.001 0.000) 0.001 3.643 ( 0.000 0.001 -0.000) 0.001 3.643 ( 0.000 0.001 0.000) 0.001 3.805 ( 0.000 0.001 -0.000) 0.001 3.805 ( 0.000 0.001 0.000) 0.001 3.881 ( 0.000 -0.000 -0.000) 0.000 3.881 ( 0.000 -0.000 0.000) 0.000 4.366 ( 0.000 0.000 -0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.001 -0.000) 0.001 4.420 ( 0.000 0.001 0.000) 0.001 4.728 ( 0.000 0.001 -0.000) 0.001 4.728 ( 0.000 0.001 0.000) 0.001 4.999 ( 0.000 0.000 -0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 -0.000) 0.001 5.256 ( 0.000 0.000 0.000) 0.001 5.539 ( 0.000 0.000 -0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 -0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.001 -0.000) 0.001 5.942 ( 0.000 0.001 0.000) 0.001 6.503 ( 0.000 0.001 -0.001) 0.001 6.503 ( 0.000 0.001 0.001) 0.001 6.721 ( 0.000 0.002 -0.002) 0.002 6.721 ( 0.000 0.002 0.002) 0.002 6.894 ( 0.000 0.000 -0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.001 -0.000) 0.001 7.338 ( 0.000 0.001 0.000) 0.001 7.489 ( 0.000 0.001 -0.000) 0.001 7.489 ( 0.000 0.001 0.000) 0.001 7.627 ( 0.000 0.001 -0.000) 0.001 7.627 ( 0.000 0.001 0.000) 0.001 8.019 ( 0.000 0.002 -0.001) 0.002 8.019 ( 0.000 0.002 0.001) 0.002 8.310 ( 0.000 0.001 -0.000) 0.001 8.310 ( 0.000 0.001 0.000) 0.001 8.427 ( 0.000 0.002 -0.001) 0.002 8.427 ( 0.000 0.002 0.001) 0.002 8.539 ( 0.000 0.001 -0.000) 0.001 8.539 ( 0.000 0.001 0.000) 0.001 8.788 ( 0.000 0.002 -0.001) 0.002 8.788 ( 0.000 0.002 0.001) 0.002 9.056 ( 0.000 0.002 -0.000) 0.002 9.056 ( 0.000 0.002 0.000) 0.002 9.199 ( 0.000 0.000 -0.000) 0.001 9.199 ( 0.000 0.000 0.000) 0.001 9.426 ( 0.000 0.002 -0.000) 0.003 9.426 ( 0.000 0.002 0.000) 0.003 10.389 ( 0.000 0.002 -0.001) 0.002 10.389 ( 0.000 0.002 0.001) 0.002 10.497 ( 0.000 0.001 -0.000) 0.001 10.497 ( 0.000 0.001 0.000) 0.001 10.719 ( 0.000 0.004 -0.001) 0.004 10.719 ( 0.000 0.004 0.001) 0.004 10.981 ( 0.000 0.000 -0.001) 0.001 10.981 ( 0.000 0.000 0.001) 0.001 11.063 ( 0.000 -0.000 -0.002) 0.002 11.063 ( 0.000 -0.000 0.002) 0.002 11.298 ( 0.000 0.000 -0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.001 -0.000) 0.001 11.874 ( 0.000 0.001 0.000) 0.001 12.032 ( 0.000 0.000 -0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 -0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 -0.000) 0.000 14.123 ( 0.000 0.000 0.000) 0.000 14.207 ( 0.000 0.000 -0.000) 0.000 14.207 ( 0.000 0.000 0.000) 0.000 14.526 ( 0.000 0.000 -0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 -0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 -0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 -0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 -0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 17.687 ( 0.000 0.000 -0.000) 0.000 17.687 ( 0.000 0.000 0.000) 0.000 18.370 ( 0.000 0.000 -0.000) 0.000 18.370 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 -0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.600 ( 0.000 0.000 -0.000) 0.000 18.600 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 -0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 18.768 ( 0.000 0.000 -0.000) 0.000 18.768 ( 0.000 0.000 0.000) 0.000 19.273 ( 0.000 0.000 -0.000) 0.000 19.273 ( 0.000 0.000 0.000) 0.000 19.399 ( 0.000 0.000 -0.000) 0.000 19.399 ( 0.000 0.000 0.000) 0.000 19.563 ( 0.000 0.000 -0.000) 0.000 19.563 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.658 0.001 -6.032) 6.068 2.772 ( -0.658 0.001 6.032) 6.068 2.885 ( -2.760 0.001 -1.562) 3.172 2.885 ( -2.760 0.001 1.562) 3.172 3.163 ( 4.405 0.001 -2.278) 4.959 3.163 ( 4.405 0.001 2.278) 4.959 3.542 ( -5.274 0.001 -2.088) 5.673 3.542 ( -5.274 0.001 2.088) 5.673 3.789 ( -7.276 0.001 -4.148) 8.375 3.789 ( -7.276 0.001 4.148) 8.375 3.975 ( 6.941 0.000 -3.434) 7.744 3.975 ( 6.941 0.000 3.434) 7.744 4.326 ( 0.418 0.000 -1.012) 1.095 4.326 ( 0.418 0.000 1.012) 1.095 4.473 ( 5.250 0.001 -2.439) 5.789 4.473 ( 5.250 0.001 2.439) 5.789 4.725 ( -0.515 0.001 -0.409) 0.657 4.725 ( -0.515 0.001 0.409) 0.657 4.985 ( -0.037 0.001 -2.820) 2.820 4.985 ( -0.037 0.001 2.820) 2.820 5.180 ( -7.763 0.001 -3.489) 8.511 5.180 ( -7.763 0.001 3.489) 8.511 5.498 ( -6.253 0.000 -3.444) 7.139 5.498 ( -6.253 0.000 3.444) 7.139 5.763 ( 12.793 0.000 -2.034) 12.954 5.763 ( 12.793 0.000 2.034) 12.954 6.026 ( 5.837 0.000 -1.005) 5.923 6.026 ( 5.837 0.000 1.005) 5.923 6.524 ( 2.172 0.001 -3.348) 3.991 6.524 ( 2.172 0.001 3.348) 3.991 6.773 ( 5.036 0.001 -0.402) 5.052 6.773 ( 5.036 0.001 0.402) 5.052 6.915 ( 1.669 0.000 -1.436) 2.202 6.915 ( 1.669 0.000 1.436) 2.202 7.331 ( -0.726 0.001 -5.107) 5.159 7.331 ( -0.726 0.001 5.107) 5.159 7.471 ( -1.502 0.002 -1.647) 2.229 7.471 ( -1.502 0.002 1.647) 2.229 7.620 ( -0.965 0.001 -1.265) 1.591 7.620 ( -0.965 0.001 1.265) 1.591 8.000 ( -1.660 0.002 -0.413) 1.711 8.000 ( -1.660 0.002 0.413) 1.711 8.242 ( -7.205 0.001 -1.763) 7.417 8.242 ( -7.205 0.001 1.763) 7.417 8.419 ( -0.735 0.001 -2.108) 2.233 8.419 ( -0.735 0.001 2.108) 2.233 8.548 ( 2.198 0.003 -0.442) 2.242 8.548 ( 2.198 0.003 0.442) 2.242 8.734 ( -4.865 0.001 -0.717) 4.918 8.734 ( -4.865 0.001 0.717) 4.918 9.099 ( 2.846 0.002 -0.569) 2.902 9.099 ( 2.846 0.002 0.569) 2.902 9.149 ( -3.539 0.000 -0.860) 3.642 9.149 ( -3.539 0.000 0.860) 3.642 9.414 ( -1.501 0.002 -0.150) 1.508 9.414 ( -1.501 0.002 0.150) 1.508 10.356 ( -1.997 0.002 -2.632) 3.304 10.356 ( -1.997 0.002 2.632) 3.304 10.546 ( 2.904 0.002 -2.510) 3.838 10.546 ( 2.904 0.002 2.510) 3.838 10.726 ( 1.415 0.003 -1.283) 1.910 10.726 ( 1.415 0.003 1.283) 1.910 10.966 ( -1.262 0.001 -1.159) 1.714 10.966 ( -1.262 0.001 1.159) 1.714 11.056 ( -0.653 0.000 -0.242) 0.697 11.056 ( -0.653 0.000 0.242) 0.697 11.300 ( -0.258 0.000 -1.301) 1.327 11.300 ( -0.258 0.000 1.301) 1.327 11.884 ( 0.945 0.001 -1.315) 1.619 11.884 ( 0.945 0.001 1.315) 1.619 12.043 ( 1.061 0.000 -0.088) 1.065 12.043 ( 1.061 0.000 0.088) 1.065 13.919 ( -3.464 0.000 -0.022) 3.464 13.919 ( -3.464 0.000 0.022) 3.464 14.101 ( -2.473 0.000 -0.140) 2.477 14.101 ( -2.473 0.000 0.140) 2.477 14.288 ( 6.282 0.000 -0.766) 6.329 14.288 ( 6.282 0.000 0.766) 6.329 14.546 ( 1.928 0.000 -0.496) 1.990 14.546 ( 1.928 0.000 0.496) 1.990 15.298 ( 0.466 0.000 -0.259) 0.533 15.298 ( 0.466 0.000 0.259) 0.533 15.599 ( -4.876 0.000 -0.508) 4.903 15.599 ( -4.876 0.000 0.508) 4.903 15.837 ( 3.127 0.000 -1.042) 3.296 15.837 ( 3.127 0.000 1.042) 3.296 16.101 ( -1.879 0.000 -0.873) 2.072 16.101 ( -1.879 0.000 0.873) 2.072 17.650 ( 1.529 0.000 -0.028) 1.529 17.650 ( 1.529 0.000 0.028) 1.529 17.709 ( 1.909 0.000 -0.203) 1.919 17.709 ( 1.909 0.000 0.203) 1.919 18.364 ( -0.487 0.000 -0.530) 0.719 18.364 ( -0.487 0.000 0.530) 0.719 18.438 ( -1.716 0.000 -1.218) 2.105 18.438 ( -1.716 0.000 1.218) 2.105 18.590 ( -0.771 0.000 -0.829) 1.132 18.590 ( -0.771 0.000 0.829) 1.132 18.704 ( 1.823 0.000 -1.337) 2.261 18.704 ( 1.823 0.000 1.337) 2.261 18.800 ( 3.628 0.000 -0.544) 3.668 18.800 ( 3.628 0.000 0.544) 3.668 19.221 ( -5.433 0.000 -0.462) 5.453 19.221 ( -5.433 0.000 0.462) 5.453 19.414 ( 1.949 0.000 -0.370) 1.983 19.414 ( 1.949 0.000 0.370) 1.983 19.558 ( -0.724 0.000 -0.046) 0.725 19.558 ( -0.724 0.000 0.046) 0.725 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 0.519 0.001 -2.998) 3.043 2.771 ( 0.519 0.001 2.998) 3.043 2.827 ( -2.418 0.000 -5.611) 6.110 2.827 ( -2.418 0.000 5.611) 6.110 3.267 ( 4.671 0.001 -1.964) 5.067 3.267 ( 4.671 0.001 1.964) 5.067 3.489 ( 0.599 0.000 -11.230) 11.246 3.489 ( 0.599 0.000 11.230) 11.246 3.617 ( -8.917 0.001 -1.215) 9.000 3.617 ( -8.917 0.001 1.215) 9.000 3.976 ( -2.498 0.001 -0.780) 2.617 3.976 ( -2.498 0.001 0.780) 2.617 4.474 ( 8.508 0.001 -1.229) 8.596 4.474 ( 8.508 0.001 1.229) 8.596 4.565 ( 3.157 0.000 -6.342) 7.084 4.565 ( 3.157 0.000 6.342) 7.084 4.741 ( 3.043 0.001 -5.050) 5.896 4.741 ( 3.043 0.001 5.050) 5.896 4.976 ( -6.644 0.000 -1.932) 6.919 4.976 ( -6.644 0.000 1.932) 6.919 5.031 ( -0.855 0.001 -13.099) 13.126 5.031 ( -0.855 0.001 13.099) 13.126 5.370 ( -5.298 0.000 -4.303) 6.826 5.370 ( -5.298 0.000 4.303) 6.826 5.972 ( 5.830 0.000 -1.540) 6.030 5.972 ( 5.830 0.000 1.540) 6.030 6.119 ( 3.512 0.000 -3.078) 4.670 6.119 ( 3.512 0.000 3.078) 4.670 6.578 ( 2.612 0.001 -6.188) 6.717 6.578 ( 2.612 0.001 6.188) 6.717 6.857 ( 1.433 0.001 -10.764) 10.858 6.857 ( 1.433 0.001 10.764) 10.858 6.953 ( 2.608 0.000 -9.510) 9.861 6.953 ( 2.608 0.000 9.510) 9.861 7.314 ( -0.899 0.000 -8.617) 8.664 7.314 ( -0.899 0.000 8.617) 8.664 7.457 ( 0.611 0.003 -1.027) 1.195 7.457 ( 0.611 0.003 1.027) 1.195 7.582 ( -2.531 0.002 -2.061) 3.264 7.582 ( -2.531 0.002 2.061) 3.264 7.984 ( 0.847 0.001 -0.062) 0.849 7.984 ( 0.847 0.001 0.062) 0.849 8.077 ( -7.558 0.001 -1.317) 7.672 8.077 ( -7.558 0.001 1.317) 7.672 8.421 ( 0.738 0.002 -0.486) 0.884 8.421 ( 0.738 0.002 0.486) 0.884 8.582 ( -1.018 0.005 -0.615) 1.189 8.582 ( -1.018 0.005 0.615) 1.189 8.674 ( 0.900 -0.001 -3.352) 3.471 8.674 ( 0.900 -0.001 3.352) 3.471 9.028 ( -4.562 0.002 -5.949) 7.497 9.028 ( -4.562 0.002 5.949) 7.497 9.206 ( 4.185 0.001 -1.904) 4.598 9.206 ( 4.185 0.001 1.904) 4.598 9.367 ( -2.781 0.002 -0.015) 2.781 9.367 ( -2.781 0.002 0.015) 2.781 10.331 ( -0.638 0.001 -3.573) 3.629 10.331 ( -0.638 0.001 3.573) 3.629 10.568 ( -0.092 0.003 -3.225) 3.226 10.568 ( -0.092 0.003 3.225) 3.226 10.781 ( 2.981 0.001 -1.814) 3.489 10.781 ( 2.981 0.001 1.814) 3.489 10.942 ( -1.002 0.001 -1.306) 1.646 10.942 ( -1.002 0.001 1.306) 1.646 11.043 ( -0.524 0.000 -0.901) 1.043 11.043 ( -0.524 0.000 0.901) 1.043 11.284 ( -0.943 0.000 -2.742) 2.900 11.284 ( -0.943 0.000 2.742) 2.900 11.904 ( 0.822 0.000 -1.833) 2.009 11.904 ( 0.822 0.000 1.833) 2.009 12.063 ( 0.684 0.000 -0.104) 0.692 12.063 ( 0.684 0.000 0.104) 0.692 13.875 ( -0.992 0.000 -0.165) 1.006 13.875 ( -0.992 0.000 0.165) 1.006 14.051 ( -1.880 0.000 -0.294) 1.902 14.051 ( -1.880 0.000 0.294) 1.902 14.381 ( 2.595 0.000 -0.882) 2.741 14.381 ( 2.595 0.000 0.882) 2.741 14.588 ( 1.711 0.000 -0.359) 1.748 14.588 ( 1.711 0.000 0.359) 1.748 15.339 ( 3.999 0.000 -0.488) 4.029 15.339 ( 3.999 0.000 0.488) 4.029 15.474 ( -6.886 0.000 -0.145) 6.888 15.474 ( -6.886 0.000 0.145) 6.888 15.907 ( 3.178 0.000 -1.724) 3.615 15.907 ( 3.178 0.000 1.724) 3.615 16.055 ( -2.314 0.000 -2.002) 3.059 16.055 ( -2.314 0.000 2.002) 3.059 17.682 ( 1.258 0.000 -0.250) 1.283 17.682 ( 1.258 0.000 0.250) 1.283 17.739 ( 0.793 0.000 -0.586) 0.986 17.739 ( 0.793 0.000 0.586) 0.986 18.357 ( -0.171 0.000 -0.872) 0.889 18.357 ( -0.171 0.000 0.872) 0.889 18.412 ( -0.809 0.000 -1.500) 1.704 18.412 ( -0.809 0.000 1.500) 1.704 18.578 ( -0.372 0.000 -1.536) 1.580 18.578 ( -0.372 0.000 1.536) 1.580 18.725 ( 0.430 0.000 -1.026) 1.113 18.725 ( 0.430 0.000 1.026) 1.113 18.909 ( 7.009 0.000 -0.928) 7.070 18.909 ( 7.009 0.000 0.928) 7.070 19.082 ( -7.983 0.000 -0.319) 7.989 19.082 ( -7.983 0.000 0.319) 7.989 19.468 ( 3.123 0.000 -0.123) 3.126 19.468 ( 3.123 0.000 0.123) 3.126 19.529 ( -2.239 0.000 -0.150) 2.244 19.529 ( -2.239 0.000 0.150) 2.244 =================== 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 10.0 956.042 570.323 751.799 0.000 0.000 0.000 3/30240 20.0 393.351 381.491 407.208 0.000 0.000 0.000 3/30240 30.0 169.063 210.409 197.470 0.000 0.000 0.000 3/30240 40.0 94.940 125.922 110.040 0.000 0.000 0.000 3/30240 50.0 61.717 82.479 69.469 0.000 0.000 0.000 3/30240 60.0 43.856 58.241 48.092 0.000 0.000 0.000 3/30240 70.0 33.178 43.706 35.643 0.000 0.000 0.000 3/30240 80.0 26.300 34.417 27.804 0.000 0.000 0.000 3/30240 90.0 21.605 28.141 22.551 0.000 0.000 0.000 3/30240 100.0 18.245 23.694 18.848 0.000 0.000 0.000 3/30240 110.0 15.746 20.413 16.130 0.000 0.000 0.000 3/30240 120.0 13.827 17.911 14.067 0.000 0.000 0.000 3/30240 130.0 12.315 15.948 12.456 0.000 0.000 0.000 3/30240 140.0 11.097 14.371 11.168 0.000 0.000 0.000 3/30240 150.0 10.096 13.079 10.119 0.000 0.000 0.000 3/30240 160.0 9.262 12.002 9.249 0.000 0.000 0.000 3/30240 170.0 8.555 11.092 8.517 0.000 0.000 0.000 3/30240 180.0 7.950 10.312 7.893 0.000 0.000 0.000 3/30240 190.0 7.427 9.638 7.355 0.000 0.000 0.000 3/30240 200.0 6.969 9.048 6.888 0.000 0.000 0.000 3/30240 210.0 6.566 8.528 6.477 0.000 0.000 0.000 3/30240 220.0 6.208 8.067 6.114 0.000 0.000 0.000 3/30240 230.0 5.889 7.654 5.791 0.000 0.000 0.000 3/30240 240.0 5.601 7.283 5.501 0.000 0.000 0.000 3/30240 250.0 5.341 6.947 5.240 0.000 0.000 0.000 3/30240 260.0 5.105 6.642 5.003 0.000 0.000 0.000 3/30240 270.0 4.890 6.364 4.787 0.000 0.000 0.000 3/30240 280.0 4.693 6.108 4.590 0.000 0.000 0.000 3/30240 290.0 4.511 5.873 4.409 0.000 0.000 0.000 3/30240 300.0 4.344 5.657 4.242 0.000 0.000 0.000 3/30240 310.0 4.189 5.455 4.087 0.000 0.000 0.000 3/30240 320.0 4.045 5.269 3.944 0.000 0.000 0.000 3/30240 330.0 3.910 5.095 3.811 0.000 0.000 0.000 3/30240 340.0 3.785 4.932 3.687 0.000 0.000 0.000 3/30240 350.0 3.668 4.780 3.571 0.000 0.000 0.000 3/30240 360.0 3.558 4.637 3.462 0.000 0.000 0.000 3/30240 370.0 3.454 4.503 3.360 0.000 0.000 0.000 3/30240 380.0 3.357 4.376 3.264 0.000 0.000 0.000 3/30240 390.0 3.265 4.257 3.174 0.000 0.000 0.000 3/30240 400.0 3.178 4.144 3.088 0.000 0.000 0.000 3/30240 410.0 3.096 4.037 3.007 0.000 0.000 0.000 3/30240 420.0 3.018 3.936 2.931 0.000 0.000 0.000 3/30240 430.0 2.944 3.839 2.858 0.000 0.000 0.000 3/30240 440.0 2.873 3.748 2.789 0.000 0.000 0.000 3/30240 450.0 2.806 3.660 2.723 0.000 0.000 0.000 3/30240 460.0 2.742 3.577 2.660 0.000 0.000 0.000 3/30240 470.0 2.681 3.498 2.600 0.000 0.000 0.000 3/30240 480.0 2.623 3.422 2.543 0.000 0.000 0.000 3/30240 490.0 2.567 3.349 2.489 0.000 0.000 0.000 3/30240 500.0 2.514 3.280 2.436 0.000 0.000 0.000 3/30240 510.0 2.462 3.213 2.386 0.000 0.000 0.000 3/30240 520.0 2.413 3.149 2.338 0.000 0.000 0.000 3/30240 530.0 2.366 3.088 2.292 0.000 0.000 0.000 3/30240 540.0 2.321 3.029 2.248 0.000 0.000 0.000 3/30240 550.0 2.277 2.972 2.206 0.000 0.000 0.000 3/30240 560.0 2.235 2.917 2.165 0.000 0.000 0.000 3/30240 570.0 2.195 2.865 2.125 0.000 0.000 0.000 3/30240 580.0 2.156 2.814 2.087 0.000 0.000 0.000 3/30240 590.0 2.118 2.765 2.051 0.000 0.000 0.000 3/30240 600.0 2.082 2.718 2.015 0.000 0.000 0.000 3/30240 610.0 2.047 2.672 1.981 0.000 0.000 0.000 3/30240 620.0 2.013 2.628 1.948 0.000 0.000 0.000 3/30240 630.0 1.980 2.585 1.916 0.000 0.000 0.000 3/30240 640.0 1.949 2.544 1.886 0.000 0.000 0.000 3/30240 650.0 1.918 2.504 1.856 0.000 0.000 0.000 3/30240 660.0 1.888 2.465 1.827 0.000 0.000 0.000 3/30240 670.0 1.860 2.428 1.799 0.000 0.000 0.000 3/30240 680.0 1.832 2.391 1.772 0.000 0.000 0.000 3/30240 690.0 1.805 2.356 1.745 0.000 0.000 0.000 3/30240 700.0 1.778 2.322 1.720 0.000 0.000 0.000 3/30240 710.0 1.753 2.288 1.695 0.000 0.000 0.000 3/30240 720.0 1.728 2.256 1.671 0.000 0.000 0.000 3/30240 730.0 1.704 2.225 1.647 0.000 0.000 0.000 3/30240 740.0 1.680 2.194 1.625 0.000 0.000 0.000 3/30240 750.0 1.658 2.164 1.603 0.000 0.000 0.000 3/30240 760.0 1.635 2.135 1.581 0.000 0.000 0.000 3/30240 770.0 1.614 2.107 1.560 0.000 0.000 0.000 3/30240 780.0 1.593 2.080 1.540 0.000 0.000 0.000 3/30240 790.0 1.572 2.053 1.520 0.000 0.000 0.000 3/30240 800.0 1.552 2.027 1.501 0.000 0.000 0.000 3/30240 810.0 1.533 2.002 1.482 0.000 0.000 0.000 3/30240 820.0 1.514 1.977 1.463 0.000 0.000 0.000 3/30240 830.0 1.496 1.953 1.445 0.000 0.000 0.000 3/30240 840.0 1.478 1.929 1.428 0.000 0.000 0.000 3/30240 850.0 1.460 1.906 1.411 0.000 0.000 0.000 3/30240 860.0 1.443 1.884 1.394 0.000 0.000 0.000 3/30240 870.0 1.426 1.862 1.378 0.000 0.000 0.000 3/30240 880.0 1.410 1.841 1.362 0.000 0.000 0.000 3/30240 890.0 1.394 1.820 1.346 0.000 0.000 0.000 3/30240 900.0 1.378 1.799 1.331 0.000 0.000 0.000 3/30240 910.0 1.363 1.779 1.316 0.000 0.000 0.000 3/30240 920.0 1.348 1.760 1.302 0.000 0.000 0.000 3/30240 930.0 1.333 1.741 1.288 0.000 0.000 0.000 3/30240 940.0 1.319 1.722 1.274 0.000 0.000 0.000 3/30240 950.0 1.305 1.704 1.260 0.000 0.000 0.000 3/30240 960.0 1.291 1.686 1.247 0.000 0.000 0.000 3/30240 970.0 1.277 1.668 1.234 0.000 0.000 0.000 3/30240 980.0 1.264 1.651 1.221 0.000 0.000 0.000 3/30240 990.0 1.251 1.634 1.209 0.000 0.000 0.000 3/30240 1000.0 1.239 1.618 1.197 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:08:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|