----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:59:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.224953200774266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -5.185534807748063 0.000000000000000 7.372265469698443 Atomic positions (fractional): *1 Na 0.19857332388338 0.11815909563830 0.48189206887089 22.990 2 Na 0.19857332388338 0.38184090436170 0.98189206887089 22.990 3 Na 0.80142667611662 0.61815909563830 0.01810793112911 22.990 4 Na 0.80142667611662 0.88184090436170 0.51810793112911 22.990 *5 Zn 0.69677596910919 0.16846793282334 0.99058353858369 65.380 6 Zn 0.69677596910919 0.33153206717666 0.49058353858369 65.380 7 Zn 0.30322403089081 0.83153206717666 0.00941646141631 65.380 8 Zn 0.30322403089081 0.66846793282334 0.50941646141631 65.380 *9 P 0.42121388316404 0.40061522214292 0.71817618357041 30.974 10 P 0.57878611683596 0.90061522214292 0.78182381642959 30.974 11 P 0.42121388316404 0.09938477785708 0.21817618357041 30.974 12 P 0.57878611683596 0.59938477785708 0.28182381642959 30.974 *13 O 0.11232895451812 0.37282686976300 0.69953125590575 15.999 *14 O 0.69513659664948 0.35329381455187 0.91214670304182 15.999 *15 O 0.58404955250039 0.67416595210317 0.43282514365325 15.999 16 O 0.88767104548188 0.87282686976300 0.80046874409425 15.999 17 O 0.88767104548188 0.62717313023700 0.30046874409425 15.999 18 O 0.41595044749961 0.17416595210317 0.06717485634675 15.999 *19 O 0.47802356564824 0.55169150104407 0.71644501349861 15.999 20 O 0.11232895451812 0.12717313023700 0.19953125590575 15.999 21 O 0.69513659664948 0.14670618544813 0.41214670304182 15.999 22 O 0.30486340335052 0.85329381455187 0.58785329695818 15.999 23 O 0.47802356564824 0.94830849895593 0.21644501349861 15.999 24 O 0.58404955250039 0.82583404789683 0.93282514365325 15.999 25 O 0.52197643435176 0.44830849895593 0.28355498650139 15.999 26 O 0.30486340335052 0.64670618544813 0.08785329695818 15.999 27 O 0.52197643435176 0.05169150104407 0.78355498650139 15.999 28 O 0.41595044749961 0.32583404789683 0.56717485634675 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.224953200774266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -5.185534807748063 0.000000000000000 7.372265469698443 Atomic positions (fractional): *1 Na 0.19857332388338 0.11815909563830 0.48189206887089 22.990 > 1 2 Na 0.19857332388338 0.38184090436170 0.98189206887089 22.990 > 2 3 Na 0.80142667611662 0.61815909563830 0.01810793112911 22.990 > 3 4 Na 0.80142667611662 0.88184090436170 0.51810793112911 22.990 > 4 *5 Zn 0.69677596910919 0.16846793282334 0.99058353858369 65.380 > 5 6 Zn 0.69677596910919 0.33153206717666 0.49058353858369 65.380 > 6 7 Zn 0.30322403089081 0.83153206717666 0.00941646141631 65.380 > 7 8 Zn 0.30322403089081 0.66846793282334 0.50941646141631 65.380 > 8 *9 P 0.42121388316404 0.40061522214292 0.71817618357041 30.974 > 9 10 P 0.57878611683596 0.90061522214292 0.78182381642959 30.974 > 10 11 P 0.42121388316404 0.09938477785708 0.21817618357041 30.974 > 11 12 P 0.57878611683596 0.59938477785708 0.28182381642959 30.974 > 12 *13 O 0.11232895451812 0.37282686976300 0.69953125590575 15.999 > 13 *14 O 0.69513659664948 0.35329381455187 0.91214670304182 15.999 > 14 *15 O 0.58404955250039 0.67416595210317 0.43282514365325 15.999 > 15 16 O 0.88767104548188 0.87282686976300 0.80046874409425 15.999 > 16 17 O 0.88767104548188 0.62717313023700 0.30046874409425 15.999 > 17 18 O 0.41595044749961 0.17416595210317 0.06717485634675 15.999 > 18 *19 O 0.47802356564824 0.55169150104407 0.71644501349861 15.999 > 19 20 O 0.11232895451812 0.12717313023700 0.19953125590575 15.999 > 20 21 O 0.69513659664948 0.14670618544813 0.41214670304182 15.999 > 21 22 O 0.30486340335052 0.85329381455187 0.58785329695818 15.999 > 22 23 O 0.47802356564824 0.94830849895593 0.21644501349861 15.999 > 23 24 O 0.58404955250039 0.82583404789683 0.93282514365325 15.999 > 24 25 O 0.52197643435176 0.44830849895593 0.28355498650139 15.999 > 25 26 O 0.30486340335052 0.64670618544813 0.08785329695818 15.999 > 26 27 O 0.52197643435176 0.05169150104407 0.78355498650139 15.999 > 27 28 O 0.41595044749961 0.32583404789683 0.56717485634675 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.449906401548532 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -10.371069615496125 0.000000000000000 14.744530939396887 Atomic positions (fractional): *1 Na 0.09928666194169 0.11815909563830 0.24094603443544 22.990 > 1 2 Na 0.59928666194169 0.11815909563830 0.24094603443544 22.990 > 1 3 Na 0.09928666194169 0.11815909563830 0.74094603443544 22.990 > 1 4 Na 0.59928666194169 0.11815909563830 0.74094603443544 22.990 > 1 5 Na 0.09928666194169 0.38184090436170 0.49094603443544 22.990 > 2 6 Na 0.59928666194169 0.38184090436170 0.49094603443544 22.990 > 2 7 Na 0.09928666194169 0.38184090436170 0.99094603443544 22.990 > 2 8 Na 0.59928666194169 0.38184090436170 0.99094603443544 22.990 > 2 9 Na 0.40071333805831 0.61815909563830 0.00905396556456 22.990 > 3 10 Na 0.90071333805831 0.61815909563830 0.00905396556456 22.990 > 3 11 Na 0.40071333805831 0.61815909563830 0.50905396556456 22.990 > 3 12 Na 0.90071333805831 0.61815909563830 0.50905396556456 22.990 > 3 13 Na 0.40071333805831 0.88184090436170 0.25905396556456 22.990 > 4 14 Na 0.90071333805831 0.88184090436170 0.25905396556456 22.990 > 4 15 Na 0.40071333805831 0.88184090436170 0.75905396556456 22.990 > 4 16 Na 0.90071333805831 0.88184090436170 0.75905396556456 22.990 > 4 *17 Zn 0.34838798455460 0.16846793282334 0.49529176929184 65.380 > 5 18 Zn 0.84838798455460 0.16846793282334 0.49529176929184 65.380 > 5 19 Zn 0.34838798455460 0.16846793282334 0.99529176929184 65.380 > 5 20 Zn 0.84838798455460 0.16846793282334 0.99529176929184 65.380 > 5 21 Zn 0.34838798455460 0.33153206717666 0.24529176929184 65.380 > 6 22 Zn 0.84838798455460 0.33153206717666 0.24529176929184 65.380 > 6 23 Zn 0.34838798455460 0.33153206717666 0.74529176929184 65.380 > 6 24 Zn 0.84838798455460 0.33153206717666 0.74529176929184 65.380 > 6 25 Zn 0.15161201544540 0.83153206717666 0.00470823070816 65.380 > 7 26 Zn 0.65161201544540 0.83153206717666 0.00470823070816 65.380 > 7 27 Zn 0.15161201544540 0.83153206717666 0.50470823070816 65.380 > 7 28 Zn 0.65161201544540 0.83153206717666 0.50470823070816 65.380 > 7 29 Zn 0.15161201544540 0.66846793282334 0.25470823070816 65.380 > 8 30 Zn 0.65161201544540 0.66846793282334 0.25470823070816 65.380 > 8 31 Zn 0.15161201544540 0.66846793282334 0.75470823070816 65.380 > 8 32 Zn 0.65161201544540 0.66846793282334 0.75470823070816 65.380 > 8 *33 P 0.21060694158202 0.40061522214292 0.35908809178520 30.974 > 9 34 P 0.71060694158202 0.40061522214292 0.35908809178520 30.974 > 9 35 P 0.21060694158202 0.40061522214292 0.85908809178520 30.974 > 9 36 P 0.71060694158202 0.40061522214292 0.85908809178520 30.974 > 9 37 P 0.28939305841798 0.90061522214292 0.39091190821480 30.974 > 10 38 P 0.78939305841798 0.90061522214292 0.39091190821480 30.974 > 10 39 P 0.28939305841798 0.90061522214292 0.89091190821480 30.974 > 10 40 P 0.78939305841798 0.90061522214292 0.89091190821480 30.974 > 10 41 P 0.21060694158202 0.09938477785708 0.10908809178520 30.974 > 11 42 P 0.71060694158202 0.09938477785708 0.10908809178520 30.974 > 11 43 P 0.21060694158202 0.09938477785708 0.60908809178520 30.974 > 11 44 P 0.71060694158202 0.09938477785708 0.60908809178520 30.974 > 11 45 P 0.28939305841798 0.59938477785708 0.14091190821480 30.974 > 12 46 P 0.78939305841798 0.59938477785708 0.14091190821480 30.974 > 12 47 P 0.28939305841798 0.59938477785708 0.64091190821480 30.974 > 12 48 P 0.78939305841798 0.59938477785708 0.64091190821480 30.974 > 12 *49 O 0.05616447725906 0.37282686976300 0.34976562795287 15.999 > 13 50 O 0.55616447725906 0.37282686976300 0.34976562795287 15.999 > 13 51 O 0.05616447725906 0.37282686976300 0.84976562795287 15.999 > 13 52 O 0.55616447725906 0.37282686976300 0.84976562795287 15.999 > 13 *53 O 0.34756829832474 0.35329381455187 0.45607335152091 15.999 > 14 54 O 0.84756829832474 0.35329381455187 0.45607335152091 15.999 > 14 55 O 0.34756829832474 0.35329381455187 0.95607335152091 15.999 > 14 56 O 0.84756829832474 0.35329381455187 0.95607335152091 15.999 > 14 *57 O 0.29202477625019 0.67416595210317 0.21641257182662 15.999 > 15 58 O 0.79202477625019 0.67416595210317 0.21641257182662 15.999 > 15 59 O 0.29202477625019 0.67416595210317 0.71641257182662 15.999 > 15 60 O 0.79202477625019 0.67416595210317 0.71641257182662 15.999 > 15 61 O 0.44383552274094 0.87282686976300 0.40023437204713 15.999 > 16 62 O 0.94383552274094 0.87282686976300 0.40023437204713 15.999 > 16 63 O 0.44383552274094 0.87282686976300 0.90023437204713 15.999 > 16 64 O 0.94383552274094 0.87282686976300 0.90023437204713 15.999 > 16 65 O 0.44383552274094 0.62717313023700 0.15023437204713 15.999 > 17 66 O 0.94383552274094 0.62717313023700 0.15023437204713 15.999 > 17 67 O 0.44383552274094 0.62717313023700 0.65023437204713 15.999 > 17 68 O 0.94383552274094 0.62717313023700 0.65023437204713 15.999 > 17 69 O 0.20797522374981 0.17416595210317 0.03358742817338 15.999 > 18 70 O 0.70797522374981 0.17416595210317 0.03358742817338 15.999 > 18 71 O 0.20797522374981 0.17416595210317 0.53358742817338 15.999 > 18 72 O 0.70797522374981 0.17416595210317 0.53358742817338 15.999 > 18 *73 O 0.23901178282412 0.55169150104407 0.35822250674930 15.999 > 19 74 O 0.73901178282412 0.55169150104407 0.35822250674930 15.999 > 19 75 O 0.23901178282412 0.55169150104407 0.85822250674930 15.999 > 19 76 O 0.73901178282412 0.55169150104407 0.85822250674930 15.999 > 19 77 O 0.05616447725906 0.12717313023700 0.09976562795287 15.999 > 20 78 O 0.55616447725906 0.12717313023700 0.09976562795287 15.999 > 20 79 O 0.05616447725906 0.12717313023700 0.59976562795287 15.999 > 20 80 O 0.55616447725906 0.12717313023700 0.59976562795287 15.999 > 20 81 O 0.34756829832474 0.14670618544813 0.20607335152091 15.999 > 21 82 O 0.84756829832474 0.14670618544813 0.20607335152091 15.999 > 21 83 O 0.34756829832474 0.14670618544813 0.70607335152091 15.999 > 21 84 O 0.84756829832474 0.14670618544813 0.70607335152091 15.999 > 21 85 O 0.15243170167526 0.85329381455187 0.29392664847909 15.999 > 22 86 O 0.65243170167526 0.85329381455187 0.29392664847909 15.999 > 22 87 O 0.15243170167526 0.85329381455187 0.79392664847909 15.999 > 22 88 O 0.65243170167526 0.85329381455187 0.79392664847909 15.999 > 22 89 O 0.23901178282412 0.94830849895593 0.10822250674930 15.999 > 23 90 O 0.73901178282412 0.94830849895593 0.10822250674930 15.999 > 23 91 O 0.23901178282412 0.94830849895593 0.60822250674930 15.999 > 23 92 O 0.73901178282412 0.94830849895593 0.60822250674930 15.999 > 23 93 O 0.29202477625019 0.82583404789683 0.46641257182662 15.999 > 24 94 O 0.79202477625019 0.82583404789683 0.46641257182662 15.999 > 24 95 O 0.29202477625019 0.82583404789683 0.96641257182662 15.999 > 24 96 O 0.79202477625019 0.82583404789683 0.96641257182662 15.999 > 24 97 O 0.26098821717588 0.44830849895593 0.14177749325070 15.999 > 25 98 O 0.76098821717588 0.44830849895593 0.14177749325070 15.999 > 25 99 O 0.26098821717588 0.44830849895593 0.64177749325070 15.999 > 25 100 O 0.76098821717588 0.44830849895593 0.64177749325070 15.999 > 25 101 O 0.15243170167526 0.64670618544813 0.04392664847909 15.999 > 26 102 O 0.65243170167526 0.64670618544813 0.04392664847909 15.999 > 26 103 O 0.15243170167526 0.64670618544813 0.54392664847909 15.999 > 26 104 O 0.65243170167526 0.64670618544813 0.54392664847909 15.999 > 26 105 O 0.26098821717588 0.05169150104407 0.39177749325070 15.999 > 27 106 O 0.76098821717588 0.05169150104407 0.39177749325070 15.999 > 27 107 O 0.26098821717588 0.05169150104407 0.89177749325070 15.999 > 27 108 O 0.76098821717588 0.05169150104407 0.89177749325070 15.999 > 27 109 O 0.20797522374981 0.32583404789683 0.28358742817338 15.999 > 28 110 O 0.70797522374981 0.32583404789683 0.28358742817338 15.999 > 28 111 O 0.20797522374981 0.32583404789683 0.78358742817338 15.999 > 28 112 O 0.70797522374981 0.32583404789683 0.78358742817338 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5214752 0.0000000 0.0030879 0.0000000 2.5321645 0.0000000 0.0030883 0.0000000 2.4860888 -------------------------- Born effective charges -------------------------- 1 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 2 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 3 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 4 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 5 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 6 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 7 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 8 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 9 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 10 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 11 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 12 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 13 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 14 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 15 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 16 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 17 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 18 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 19 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 20 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 21 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 22 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 23 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 24 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 25 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 26 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 27 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 28 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.304 Solver_block: 200 / 880 - Time: 1.108 Solver_block: 300 / 880 - Time: 1.349 Solver_block: 400 / 880 - Time: 1.343 Solver_block: 500 / 880 - Time: 1.342 Solver_block: 600 / 880 - Time: 1.275 Solver_block: 700 / 880 - Time: 1.334 Solver_block: 800 / 880 - Time: 1.190 Solver_block: 880 / 880 - Time: 1.908 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.694 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:00:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:00:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.224953200774266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -5.185534807748063 0.000000000000000 7.372265469698443 Atomic positions (fractional): 1 Na 0.19857332388338 0.11815909563830 0.48189206887089 22.990 2 Na 0.19857332388338 0.38184090436170 0.98189206887089 22.990 3 Na 0.80142667611662 0.61815909563830 0.01810793112911 22.990 4 Na 0.80142667611662 0.88184090436170 0.51810793112911 22.990 5 Zn 0.69677596910919 0.16846793282334 0.99058353858369 65.380 6 Zn 0.69677596910919 0.33153206717666 0.49058353858369 65.380 7 Zn 0.30322403089081 0.83153206717666 0.00941646141631 65.380 8 Zn 0.30322403089081 0.66846793282334 0.50941646141631 65.380 9 P 0.42121388316404 0.40061522214292 0.71817618357041 30.974 10 P 0.57878611683596 0.90061522214292 0.78182381642959 30.974 11 P 0.42121388316404 0.09938477785708 0.21817618357041 30.974 12 P 0.57878611683596 0.59938477785708 0.28182381642959 30.974 13 O 0.11232895451812 0.37282686976300 0.69953125590575 15.999 14 O 0.69513659664948 0.35329381455187 0.91214670304182 15.999 15 O 0.58404955250039 0.67416595210317 0.43282514365325 15.999 16 O 0.88767104548188 0.87282686976300 0.80046874409425 15.999 17 O 0.88767104548188 0.62717313023700 0.30046874409425 15.999 18 O 0.41595044749961 0.17416595210317 0.06717485634675 15.999 19 O 0.47802356564824 0.55169150104407 0.71644501349861 15.999 20 O 0.11232895451812 0.12717313023700 0.19953125590575 15.999 21 O 0.69513659664948 0.14670618544813 0.41214670304182 15.999 22 O 0.30486340335052 0.85329381455187 0.58785329695818 15.999 23 O 0.47802356564824 0.94830849895593 0.21644501349861 15.999 24 O 0.58404955250039 0.82583404789683 0.93282514365325 15.999 25 O 0.52197643435176 0.44830849895593 0.28355498650139 15.999 26 O 0.30486340335052 0.64670618544813 0.08785329695818 15.999 27 O 0.52197643435176 0.05169150104407 0.78355498650139 15.999 28 O 0.41595044749961 0.32583404789683 0.56717485634675 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.449906401548532 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -10.371069615496125 0.000000000000000 14.744530939396887 Atomic positions (fractional): 1 Na 0.09928666194169 0.11815909563830 0.24094603443544 22.990 > 1 2 Na 0.59928666194169 0.11815909563830 0.24094603443544 22.990 > 1 3 Na 0.09928666194169 0.11815909563830 0.74094603443544 22.990 > 1 4 Na 0.59928666194169 0.11815909563830 0.74094603443544 22.990 > 1 5 Na 0.09928666194169 0.38184090436170 0.49094603443544 22.990 > 5 6 Na 0.59928666194169 0.38184090436170 0.49094603443544 22.990 > 5 7 Na 0.09928666194169 0.38184090436170 0.99094603443544 22.990 > 5 8 Na 0.59928666194169 0.38184090436170 0.99094603443544 22.990 > 5 9 Na 0.40071333805831 0.61815909563830 0.00905396556456 22.990 > 9 10 Na 0.90071333805831 0.61815909563830 0.00905396556456 22.990 > 9 11 Na 0.40071333805831 0.61815909563830 0.50905396556456 22.990 > 9 12 Na 0.90071333805831 0.61815909563830 0.50905396556456 22.990 > 9 13 Na 0.40071333805831 0.88184090436170 0.25905396556456 22.990 > 13 14 Na 0.90071333805831 0.88184090436170 0.25905396556456 22.990 > 13 15 Na 0.40071333805831 0.88184090436170 0.75905396556456 22.990 > 13 16 Na 0.90071333805831 0.88184090436170 0.75905396556456 22.990 > 13 17 Zn 0.34838798455460 0.16846793282334 0.49529176929184 65.380 > 17 18 Zn 0.84838798455460 0.16846793282334 0.49529176929184 65.380 > 17 19 Zn 0.34838798455460 0.16846793282334 0.99529176929184 65.380 > 17 20 Zn 0.84838798455460 0.16846793282334 0.99529176929184 65.380 > 17 21 Zn 0.34838798455460 0.33153206717666 0.24529176929184 65.380 > 21 22 Zn 0.84838798455460 0.33153206717666 0.24529176929184 65.380 > 21 23 Zn 0.34838798455460 0.33153206717666 0.74529176929184 65.380 > 21 24 Zn 0.84838798455460 0.33153206717666 0.74529176929184 65.380 > 21 25 Zn 0.15161201544540 0.83153206717666 0.00470823070816 65.380 > 25 26 Zn 0.65161201544540 0.83153206717666 0.00470823070816 65.380 > 25 27 Zn 0.15161201544540 0.83153206717666 0.50470823070816 65.380 > 25 28 Zn 0.65161201544540 0.83153206717666 0.50470823070816 65.380 > 25 29 Zn 0.15161201544540 0.66846793282334 0.25470823070816 65.380 > 29 30 Zn 0.65161201544540 0.66846793282334 0.25470823070816 65.380 > 29 31 Zn 0.15161201544540 0.66846793282334 0.75470823070816 65.380 > 29 32 Zn 0.65161201544540 0.66846793282334 0.75470823070816 65.380 > 29 33 P 0.21060694158202 0.40061522214292 0.35908809178520 30.974 > 33 34 P 0.71060694158202 0.40061522214292 0.35908809178520 30.974 > 33 35 P 0.21060694158202 0.40061522214292 0.85908809178520 30.974 > 33 36 P 0.71060694158202 0.40061522214292 0.85908809178520 30.974 > 33 37 P 0.28939305841798 0.90061522214292 0.39091190821480 30.974 > 37 38 P 0.78939305841798 0.90061522214292 0.39091190821480 30.974 > 37 39 P 0.28939305841798 0.90061522214292 0.89091190821480 30.974 > 37 40 P 0.78939305841798 0.90061522214292 0.89091190821480 30.974 > 37 41 P 0.21060694158202 0.09938477785708 0.10908809178520 30.974 > 41 42 P 0.71060694158202 0.09938477785708 0.10908809178520 30.974 > 41 43 P 0.21060694158202 0.09938477785708 0.60908809178520 30.974 > 41 44 P 0.71060694158202 0.09938477785708 0.60908809178520 30.974 > 41 45 P 0.28939305841798 0.59938477785708 0.14091190821480 30.974 > 45 46 P 0.78939305841798 0.59938477785708 0.14091190821480 30.974 > 45 47 P 0.28939305841798 0.59938477785708 0.64091190821480 30.974 > 45 48 P 0.78939305841798 0.59938477785708 0.64091190821480 30.974 > 45 49 O 0.05616447725906 0.37282686976300 0.34976562795287 15.999 > 49 50 O 0.55616447725906 0.37282686976300 0.34976562795287 15.999 > 49 51 O 0.05616447725906 0.37282686976300 0.84976562795287 15.999 > 49 52 O 0.55616447725906 0.37282686976300 0.84976562795287 15.999 > 49 53 O 0.34756829832474 0.35329381455187 0.45607335152091 15.999 > 53 54 O 0.84756829832474 0.35329381455187 0.45607335152091 15.999 > 53 55 O 0.34756829832474 0.35329381455187 0.95607335152091 15.999 > 53 56 O 0.84756829832474 0.35329381455187 0.95607335152091 15.999 > 53 57 O 0.29202477625019 0.67416595210317 0.21641257182662 15.999 > 57 58 O 0.79202477625019 0.67416595210317 0.21641257182662 15.999 > 57 59 O 0.29202477625019 0.67416595210317 0.71641257182662 15.999 > 57 60 O 0.79202477625019 0.67416595210317 0.71641257182662 15.999 > 57 61 O 0.44383552274094 0.87282686976300 0.40023437204713 15.999 > 61 62 O 0.94383552274094 0.87282686976300 0.40023437204713 15.999 > 61 63 O 0.44383552274094 0.87282686976300 0.90023437204713 15.999 > 61 64 O 0.94383552274094 0.87282686976300 0.90023437204713 15.999 > 61 65 O 0.44383552274094 0.62717313023700 0.15023437204713 15.999 > 65 66 O 0.94383552274094 0.62717313023700 0.15023437204713 15.999 > 65 67 O 0.44383552274094 0.62717313023700 0.65023437204713 15.999 > 65 68 O 0.94383552274094 0.62717313023700 0.65023437204713 15.999 > 65 69 O 0.20797522374981 0.17416595210317 0.03358742817338 15.999 > 69 70 O 0.70797522374981 0.17416595210317 0.03358742817338 15.999 > 69 71 O 0.20797522374981 0.17416595210317 0.53358742817338 15.999 > 69 72 O 0.70797522374981 0.17416595210317 0.53358742817338 15.999 > 69 73 O 0.23901178282412 0.55169150104407 0.35822250674930 15.999 > 73 74 O 0.73901178282412 0.55169150104407 0.35822250674930 15.999 > 73 75 O 0.23901178282412 0.55169150104407 0.85822250674930 15.999 > 73 76 O 0.73901178282412 0.55169150104407 0.85822250674930 15.999 > 73 77 O 0.05616447725906 0.12717313023700 0.09976562795287 15.999 > 77 78 O 0.55616447725906 0.12717313023700 0.09976562795287 15.999 > 77 79 O 0.05616447725906 0.12717313023700 0.59976562795287 15.999 > 77 80 O 0.55616447725906 0.12717313023700 0.59976562795287 15.999 > 77 81 O 0.34756829832474 0.14670618544813 0.20607335152091 15.999 > 81 82 O 0.84756829832474 0.14670618544813 0.20607335152091 15.999 > 81 83 O 0.34756829832474 0.14670618544813 0.70607335152091 15.999 > 81 84 O 0.84756829832474 0.14670618544813 0.70607335152091 15.999 > 81 85 O 0.15243170167526 0.85329381455187 0.29392664847909 15.999 > 85 86 O 0.65243170167526 0.85329381455187 0.29392664847909 15.999 > 85 87 O 0.15243170167526 0.85329381455187 0.79392664847909 15.999 > 85 88 O 0.65243170167526 0.85329381455187 0.79392664847909 15.999 > 85 89 O 0.23901178282412 0.94830849895593 0.10822250674930 15.999 > 89 90 O 0.73901178282412 0.94830849895593 0.10822250674930 15.999 > 89 91 O 0.23901178282412 0.94830849895593 0.60822250674930 15.999 > 89 92 O 0.73901178282412 0.94830849895593 0.60822250674930 15.999 > 89 93 O 0.29202477625019 0.82583404789683 0.46641257182662 15.999 > 93 94 O 0.79202477625019 0.82583404789683 0.46641257182662 15.999 > 93 95 O 0.29202477625019 0.82583404789683 0.96641257182662 15.999 > 93 96 O 0.79202477625019 0.82583404789683 0.96641257182662 15.999 > 93 97 O 0.26098821717588 0.44830849895593 0.14177749325070 15.999 > 97 98 O 0.76098821717588 0.44830849895593 0.14177749325070 15.999 > 97 99 O 0.26098821717588 0.44830849895593 0.64177749325070 15.999 > 97 100 O 0.76098821717588 0.44830849895593 0.64177749325070 15.999 > 97 101 O 0.15243170167526 0.64670618544813 0.04392664847909 15.999 > 101 102 O 0.65243170167526 0.64670618544813 0.04392664847909 15.999 > 101 103 O 0.15243170167526 0.64670618544813 0.54392664847909 15.999 > 101 104 O 0.65243170167526 0.64670618544813 0.54392664847909 15.999 > 101 105 O 0.26098821717588 0.05169150104407 0.39177749325070 15.999 > 105 106 O 0.76098821717588 0.05169150104407 0.39177749325070 15.999 > 105 107 O 0.26098821717588 0.05169150104407 0.89177749325070 15.999 > 105 108 O 0.76098821717588 0.05169150104407 0.89177749325070 15.999 > 105 109 O 0.20797522374981 0.32583404789683 0.28358742817338 15.999 > 109 110 O 0.70797522374981 0.32583404789683 0.28358742817338 15.999 > 109 111 O 0.20797522374981 0.32583404789683 0.78358742817338 15.999 > 109 112 O 0.70797522374981 0.32583404789683 0.78358742817338 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5214752 0.0000000 0.0030879 0.0000000 2.5321645 0.0000000 0.0030883 0.0000000 2.4860888 -------------------------- Born effective charges -------------------------- 1 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 2 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 3 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 4 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 5 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 6 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 7 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 8 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 9 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 10 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 11 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 12 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 13 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 14 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 15 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 16 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 17 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 18 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 19 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 20 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 21 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 22 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 23 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 24 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 25 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 26 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 27 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 28 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 53, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:01:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:01:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.224953200774266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -5.185534807748063 0.000000000000000 7.372265469698443 Atomic positions (fractional): 1 Na 0.19857332388338 0.11815909563830 0.48189206887089 22.990 2 Na 0.19857332388338 0.38184090436170 0.98189206887089 22.990 3 Na 0.80142667611662 0.61815909563830 0.01810793112911 22.990 4 Na 0.80142667611662 0.88184090436170 0.51810793112911 22.990 5 Zn 0.69677596910919 0.16846793282334 0.99058353858369 65.380 6 Zn 0.69677596910919 0.33153206717666 0.49058353858369 65.380 7 Zn 0.30322403089081 0.83153206717666 0.00941646141631 65.380 8 Zn 0.30322403089081 0.66846793282334 0.50941646141631 65.380 9 P 0.42121388316404 0.40061522214292 0.71817618357041 30.974 10 P 0.57878611683596 0.90061522214292 0.78182381642959 30.974 11 P 0.42121388316404 0.09938477785708 0.21817618357041 30.974 12 P 0.57878611683596 0.59938477785708 0.28182381642959 30.974 13 O 0.11232895451812 0.37282686976300 0.69953125590575 15.999 14 O 0.69513659664948 0.35329381455187 0.91214670304182 15.999 15 O 0.58404955250039 0.67416595210317 0.43282514365325 15.999 16 O 0.88767104548188 0.87282686976300 0.80046874409425 15.999 17 O 0.88767104548188 0.62717313023700 0.30046874409425 15.999 18 O 0.41595044749961 0.17416595210317 0.06717485634675 15.999 19 O 0.47802356564824 0.55169150104407 0.71644501349861 15.999 20 O 0.11232895451812 0.12717313023700 0.19953125590575 15.999 21 O 0.69513659664948 0.14670618544813 0.41214670304182 15.999 22 O 0.30486340335052 0.85329381455187 0.58785329695818 15.999 23 O 0.47802356564824 0.94830849895593 0.21644501349861 15.999 24 O 0.58404955250039 0.82583404789683 0.93282514365325 15.999 25 O 0.52197643435176 0.44830849895593 0.28355498650139 15.999 26 O 0.30486340335052 0.64670618544813 0.08785329695818 15.999 27 O 0.52197643435176 0.05169150104407 0.78355498650139 15.999 28 O 0.41595044749961 0.32583404789683 0.56717485634675 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.449906401548532 0.000000000000000 0.000000000000000 b 0.000000000000000 10.029057699999999 0.000000000000000 c -10.371069615496125 0.000000000000000 14.744530939396887 Atomic positions (fractional): 1 Na 0.09928666194169 0.11815909563830 0.24094603443544 22.990 > 1 2 Na 0.59928666194169 0.11815909563830 0.24094603443544 22.990 > 1 3 Na 0.09928666194169 0.11815909563830 0.74094603443544 22.990 > 1 4 Na 0.59928666194169 0.11815909563830 0.74094603443544 22.990 > 1 5 Na 0.09928666194169 0.38184090436170 0.49094603443544 22.990 > 5 6 Na 0.59928666194169 0.38184090436170 0.49094603443544 22.990 > 5 7 Na 0.09928666194169 0.38184090436170 0.99094603443544 22.990 > 5 8 Na 0.59928666194169 0.38184090436170 0.99094603443544 22.990 > 5 9 Na 0.40071333805831 0.61815909563830 0.00905396556456 22.990 > 9 10 Na 0.90071333805831 0.61815909563830 0.00905396556456 22.990 > 9 11 Na 0.40071333805831 0.61815909563830 0.50905396556456 22.990 > 9 12 Na 0.90071333805831 0.61815909563830 0.50905396556456 22.990 > 9 13 Na 0.40071333805831 0.88184090436170 0.25905396556456 22.990 > 13 14 Na 0.90071333805831 0.88184090436170 0.25905396556456 22.990 > 13 15 Na 0.40071333805831 0.88184090436170 0.75905396556456 22.990 > 13 16 Na 0.90071333805831 0.88184090436170 0.75905396556456 22.990 > 13 17 Zn 0.34838798455460 0.16846793282334 0.49529176929184 65.380 > 17 18 Zn 0.84838798455460 0.16846793282334 0.49529176929184 65.380 > 17 19 Zn 0.34838798455460 0.16846793282334 0.99529176929184 65.380 > 17 20 Zn 0.84838798455460 0.16846793282334 0.99529176929184 65.380 > 17 21 Zn 0.34838798455460 0.33153206717666 0.24529176929184 65.380 > 21 22 Zn 0.84838798455460 0.33153206717666 0.24529176929184 65.380 > 21 23 Zn 0.34838798455460 0.33153206717666 0.74529176929184 65.380 > 21 24 Zn 0.84838798455460 0.33153206717666 0.74529176929184 65.380 > 21 25 Zn 0.15161201544540 0.83153206717666 0.00470823070816 65.380 > 25 26 Zn 0.65161201544540 0.83153206717666 0.00470823070816 65.380 > 25 27 Zn 0.15161201544540 0.83153206717666 0.50470823070816 65.380 > 25 28 Zn 0.65161201544540 0.83153206717666 0.50470823070816 65.380 > 25 29 Zn 0.15161201544540 0.66846793282334 0.25470823070816 65.380 > 29 30 Zn 0.65161201544540 0.66846793282334 0.25470823070816 65.380 > 29 31 Zn 0.15161201544540 0.66846793282334 0.75470823070816 65.380 > 29 32 Zn 0.65161201544540 0.66846793282334 0.75470823070816 65.380 > 29 33 P 0.21060694158202 0.40061522214292 0.35908809178520 30.974 > 33 34 P 0.71060694158202 0.40061522214292 0.35908809178520 30.974 > 33 35 P 0.21060694158202 0.40061522214292 0.85908809178520 30.974 > 33 36 P 0.71060694158202 0.40061522214292 0.85908809178520 30.974 > 33 37 P 0.28939305841798 0.90061522214292 0.39091190821480 30.974 > 37 38 P 0.78939305841798 0.90061522214292 0.39091190821480 30.974 > 37 39 P 0.28939305841798 0.90061522214292 0.89091190821480 30.974 > 37 40 P 0.78939305841798 0.90061522214292 0.89091190821480 30.974 > 37 41 P 0.21060694158202 0.09938477785708 0.10908809178520 30.974 > 41 42 P 0.71060694158202 0.09938477785708 0.10908809178520 30.974 > 41 43 P 0.21060694158202 0.09938477785708 0.60908809178520 30.974 > 41 44 P 0.71060694158202 0.09938477785708 0.60908809178520 30.974 > 41 45 P 0.28939305841798 0.59938477785708 0.14091190821480 30.974 > 45 46 P 0.78939305841798 0.59938477785708 0.14091190821480 30.974 > 45 47 P 0.28939305841798 0.59938477785708 0.64091190821480 30.974 > 45 48 P 0.78939305841798 0.59938477785708 0.64091190821480 30.974 > 45 49 O 0.05616447725906 0.37282686976300 0.34976562795287 15.999 > 49 50 O 0.55616447725906 0.37282686976300 0.34976562795287 15.999 > 49 51 O 0.05616447725906 0.37282686976300 0.84976562795287 15.999 > 49 52 O 0.55616447725906 0.37282686976300 0.84976562795287 15.999 > 49 53 O 0.34756829832474 0.35329381455187 0.45607335152091 15.999 > 53 54 O 0.84756829832474 0.35329381455187 0.45607335152091 15.999 > 53 55 O 0.34756829832474 0.35329381455187 0.95607335152091 15.999 > 53 56 O 0.84756829832474 0.35329381455187 0.95607335152091 15.999 > 53 57 O 0.29202477625019 0.67416595210317 0.21641257182662 15.999 > 57 58 O 0.79202477625019 0.67416595210317 0.21641257182662 15.999 > 57 59 O 0.29202477625019 0.67416595210317 0.71641257182662 15.999 > 57 60 O 0.79202477625019 0.67416595210317 0.71641257182662 15.999 > 57 61 O 0.44383552274094 0.87282686976300 0.40023437204713 15.999 > 61 62 O 0.94383552274094 0.87282686976300 0.40023437204713 15.999 > 61 63 O 0.44383552274094 0.87282686976300 0.90023437204713 15.999 > 61 64 O 0.94383552274094 0.87282686976300 0.90023437204713 15.999 > 61 65 O 0.44383552274094 0.62717313023700 0.15023437204713 15.999 > 65 66 O 0.94383552274094 0.62717313023700 0.15023437204713 15.999 > 65 67 O 0.44383552274094 0.62717313023700 0.65023437204713 15.999 > 65 68 O 0.94383552274094 0.62717313023700 0.65023437204713 15.999 > 65 69 O 0.20797522374981 0.17416595210317 0.03358742817338 15.999 > 69 70 O 0.70797522374981 0.17416595210317 0.03358742817338 15.999 > 69 71 O 0.20797522374981 0.17416595210317 0.53358742817338 15.999 > 69 72 O 0.70797522374981 0.17416595210317 0.53358742817338 15.999 > 69 73 O 0.23901178282412 0.55169150104407 0.35822250674930 15.999 > 73 74 O 0.73901178282412 0.55169150104407 0.35822250674930 15.999 > 73 75 O 0.23901178282412 0.55169150104407 0.85822250674930 15.999 > 73 76 O 0.73901178282412 0.55169150104407 0.85822250674930 15.999 > 73 77 O 0.05616447725906 0.12717313023700 0.09976562795287 15.999 > 77 78 O 0.55616447725906 0.12717313023700 0.09976562795287 15.999 > 77 79 O 0.05616447725906 0.12717313023700 0.59976562795287 15.999 > 77 80 O 0.55616447725906 0.12717313023700 0.59976562795287 15.999 > 77 81 O 0.34756829832474 0.14670618544813 0.20607335152091 15.999 > 81 82 O 0.84756829832474 0.14670618544813 0.20607335152091 15.999 > 81 83 O 0.34756829832474 0.14670618544813 0.70607335152091 15.999 > 81 84 O 0.84756829832474 0.14670618544813 0.70607335152091 15.999 > 81 85 O 0.15243170167526 0.85329381455187 0.29392664847909 15.999 > 85 86 O 0.65243170167526 0.85329381455187 0.29392664847909 15.999 > 85 87 O 0.15243170167526 0.85329381455187 0.79392664847909 15.999 > 85 88 O 0.65243170167526 0.85329381455187 0.79392664847909 15.999 > 85 89 O 0.23901178282412 0.94830849895593 0.10822250674930 15.999 > 89 90 O 0.73901178282412 0.94830849895593 0.10822250674930 15.999 > 89 91 O 0.23901178282412 0.94830849895593 0.60822250674930 15.999 > 89 92 O 0.73901178282412 0.94830849895593 0.60822250674930 15.999 > 89 93 O 0.29202477625019 0.82583404789683 0.46641257182662 15.999 > 93 94 O 0.79202477625019 0.82583404789683 0.46641257182662 15.999 > 93 95 O 0.29202477625019 0.82583404789683 0.96641257182662 15.999 > 93 96 O 0.79202477625019 0.82583404789683 0.96641257182662 15.999 > 93 97 O 0.26098821717588 0.44830849895593 0.14177749325070 15.999 > 97 98 O 0.76098821717588 0.44830849895593 0.14177749325070 15.999 > 97 99 O 0.26098821717588 0.44830849895593 0.64177749325070 15.999 > 97 100 O 0.76098821717588 0.44830849895593 0.64177749325070 15.999 > 97 101 O 0.15243170167526 0.64670618544813 0.04392664847909 15.999 > 101 102 O 0.65243170167526 0.64670618544813 0.04392664847909 15.999 > 101 103 O 0.15243170167526 0.64670618544813 0.54392664847909 15.999 > 101 104 O 0.65243170167526 0.64670618544813 0.54392664847909 15.999 > 101 105 O 0.26098821717588 0.05169150104407 0.39177749325070 15.999 > 105 106 O 0.76098821717588 0.05169150104407 0.39177749325070 15.999 > 105 107 O 0.26098821717588 0.05169150104407 0.89177749325070 15.999 > 105 108 O 0.76098821717588 0.05169150104407 0.89177749325070 15.999 > 105 109 O 0.20797522374981 0.32583404789683 0.28358742817338 15.999 > 109 110 O 0.70797522374981 0.32583404789683 0.28358742817338 15.999 > 109 111 O 0.20797522374981 0.32583404789683 0.78358742817338 15.999 > 109 112 O 0.70797522374981 0.32583404789683 0.78358742817338 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5214752 0.0000000 0.0030879 0.0000000 2.5321645 0.0000000 0.0030883 0.0000000 2.4860888 -------------------------- Born effective charges -------------------------- 1 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 2 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 3 Na 1.0571070 -0.0100526 -0.0181008 -0.0113247 1.0743155 0.0599839 0.0193654 0.0608943 1.1367991 4 Na 1.0571070 0.0100526 -0.0181008 0.0113247 1.0743155 -0.0599839 0.0193654 -0.0608943 1.1367991 5 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 6 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 7 Zn 2.1151655 -0.1174687 0.1378458 0.0412483 2.0997212 0.0919756 -0.1519168 -0.2785291 1.9611324 8 Zn 2.1151655 0.1174687 0.1378458 -0.0412483 2.0997212 -0.0919756 -0.1519168 0.2785291 1.9611324 9 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 10 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 11 P 3.2242043 0.1081822 -0.3930679 -0.0923062 3.1891781 0.3671629 0.3096909 0.1040474 3.1026429 12 P 3.2242043 -0.1081822 -0.3930679 0.0923062 3.1891781 -0.3671629 0.3096909 -0.1040474 3.1026429 13 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 14 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 15 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 16 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 17 O -2.3838881 -0.2347901 -0.3126709 -0.2217653 -1.0053339 0.0086652 -0.4303183 -0.1203192 -1.3569295 18 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 19 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 20 O -2.3838881 0.2347901 -0.3126709 0.2217653 -1.0053339 -0.0086652 -0.4303183 0.1203192 -1.3569295 21 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 22 O -1.1976390 -0.0325428 -0.1807503 -0.0366804 -1.6819841 -0.6481427 -0.3101017 -0.5460667 -2.0152121 23 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 24 O -1.8186447 -0.3354793 0.7035491 -0.1851451 -1.2830457 0.2555354 0.5468056 0.3940530 -1.5300557 25 O -0.9963051 -0.1972290 0.0631948 -0.2403917 -2.3928511 0.3429945 0.0164749 0.2649642 -1.2983772 26 O -1.1976390 0.0325428 -0.1807503 0.0366804 -1.6819841 0.6481427 -0.3101017 0.5460667 -2.0152121 27 O -0.9963051 0.1972290 0.0631948 0.2403917 -2.3928511 -0.3429945 0.0164749 -0.2649642 -1.2983772 28 O -1.8186447 0.3354793 0.7035491 0.1851451 -1.2830457 -0.2555354 0.5468056 -0.3940530 -1.5300557 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 12 5 7 ] 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: 0.57, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 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 1.931 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 11.524 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.964 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 14.929 ( 0.000 0.000 0.000) 0.000 15.082 ( 0.000 0.000 0.000) 0.000 15.166 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 0.000) 0.000 17.312 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.450 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 18.460 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 0.000) 0.000 19.174 ( 0.000 0.000 0.000) 0.000 27.865 ( 0.000 0.000 0.000) 0.000 27.872 ( 0.000 0.000 0.000) 0.000 27.873 ( 0.000 0.000 0.000) 0.000 27.908 ( 0.000 0.000 0.000) 0.000 29.060 ( 0.000 0.000 0.000) 0.000 29.154 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 30.244 ( 0.000 0.000 0.000) 0.000 30.299 ( 0.000 0.000 0.000) 0.000 30.438 ( 0.000 0.000 0.000) 0.000 30.619 ( 0.000 0.000 0.000) 0.000 30.666 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 31.737 ( 0.000 0.000 0.000) 0.000 32.324 ( 0.000 0.000 0.000) 0.000 33.404 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 13.213 0.000 19.688) 23.711 0.494 ( 20.980 0.000 14.203) 25.335 0.836 ( 28.100 0.000 32.943) 43.300 2.098 ( 13.740 0.000 0.749) 13.760 2.214 ( 0.123 0.000 -1.342) 1.348 2.276 ( 6.693 0.000 3.864) 7.728 2.375 ( 3.466 0.000 -4.537) 5.710 2.434 ( -1.642 0.000 2.645) 3.113 2.575 ( 1.520 0.000 4.826) 5.060 3.020 ( 6.030 0.000 -0.347) 6.040 3.314 ( -9.546 0.000 -6.575) 11.591 3.323 ( -1.440 0.000 -9.321) 9.431 3.490 ( 1.413 0.000 0.095) 1.417 3.560 ( -0.507 0.000 2.392) 2.445 3.774 ( 2.103 0.000 -5.353) 5.751 3.845 ( -5.108 0.000 1.828) 5.425 4.033 ( -6.422 0.000 2.863) 7.031 4.209 ( 6.304 0.000 -5.691) 8.492 4.261 ( 0.084 0.000 2.858) 2.859 4.403 ( -12.428 0.000 4.595) 13.250 4.447 ( -9.375 0.000 1.340) 9.471 4.530 ( -8.902 0.000 5.661) 10.549 4.639 ( 1.416 0.000 7.022) 7.163 5.086 ( 7.881 0.000 1.787) 8.081 5.150 ( -2.342 0.000 3.362) 4.097 5.466 ( -2.668 0.000 -0.317) 2.687 5.561 ( 0.733 0.000 -2.388) 2.499 5.650 ( 1.133 0.000 3.148) 3.346 6.139 ( -5.566 0.000 -4.058) 6.888 6.278 ( -2.772 0.000 -5.892) 6.512 6.447 ( 5.997 0.000 -3.632) 7.011 6.492 ( 6.822 0.000 0.856) 6.876 6.526 ( -1.160 0.000 0.242) 1.185 7.093 ( -0.309 0.000 -2.808) 2.825 7.257 ( 7.963 0.000 -16.800) 18.591 7.361 ( -3.461 0.000 -10.330) 10.894 8.099 ( 0.930 0.000 -4.203) 4.304 8.113 ( 4.170 0.000 -0.784) 4.243 8.361 ( 1.983 0.000 3.759) 4.250 9.007 ( 23.717 0.000 -38.750) 45.432 9.753 ( 3.199 0.000 0.739) 3.284 9.785 ( 2.818 0.000 1.841) 3.366 10.067 ( -0.286 0.000 2.122) 2.141 10.323 ( -12.204 0.000 13.981) 18.558 10.414 ( -8.090 0.000 10.749) 13.453 10.581 ( 1.301 0.000 -0.116) 1.307 10.615 ( 4.005 0.000 1.060) 4.143 10.684 ( 1.009 0.000 -0.024) 1.009 11.525 ( 0.055 0.000 0.024) 0.060 11.591 ( -0.217 0.000 -0.169) 0.275 11.734 ( -5.742 0.000 6.247) 8.485 11.938 ( -1.933 0.000 -1.810) 2.648 14.842 ( 2.233 0.000 -8.772) 9.052 14.855 ( -2.392 0.000 -0.706) 2.494 14.916 ( -1.110 0.000 -0.634) 1.278 14.919 ( 1.822 0.000 -2.421) 3.030 15.157 ( -1.140 0.000 5.025) 5.153 15.189 ( 1.976 0.000 1.107) 2.265 15.434 ( 0.748 0.000 0.097) 0.754 15.443 ( -0.135 0.000 -0.480) 0.499 17.323 ( 2.166 0.000 -1.431) 2.596 17.338 ( 0.706 0.000 0.503) 0.867 17.454 ( 0.756 0.000 -0.311) 0.818 17.525 ( -0.574 0.000 0.335) 0.665 18.455 ( -0.388 0.000 0.074) 0.395 18.762 ( -1.056 0.000 -1.525) 1.855 19.009 ( -8.130 0.000 13.902) 16.105 19.158 ( -2.046 0.000 0.123) 2.050 27.848 ( 0.255 0.000 -2.127) 2.143 27.884 ( -0.505 0.000 1.770) 1.841 27.895 ( -0.953 0.000 -0.601) 1.127 27.986 ( -2.074 0.000 3.650) 4.198 29.076 ( 1.425 0.000 0.705) 1.590 29.377 ( -0.827 0.000 -1.670) 1.863 29.982 ( -36.612 0.000 50.484) 62.362 30.160 ( -6.308 0.000 -4.938) 8.011 30.356 ( 3.886 0.000 4.197) 5.720 30.544 ( -0.866 0.000 0.622) 1.066 30.723 ( 0.907 0.000 -0.209) 0.931 30.861 ( 14.060 0.000 -0.904) 14.089 31.781 ( 2.841 0.000 4.739) 5.525 32.093 ( 46.503 0.000 -64.569) 79.572 32.347 ( -0.357 0.000 4.414) 4.428 33.429 ( -6.259 0.000 -4.018) 7.437 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 13.990 0.000 18.092) 22.870 0.980 ( 20.656 0.000 12.456) 24.121 1.578 ( 22.869 0.000 21.548) 31.422 2.224 ( 3.231 0.000 -1.840) 3.718 2.272 ( 11.919 0.000 -1.630) 12.030 2.302 ( -3.735 0.000 1.940) 4.209 2.381 ( 3.048 0.000 1.385) 3.348 2.685 ( 14.224 0.000 9.949) 17.358 2.734 ( 2.166 0.000 10.987) 11.198 2.962 ( -3.363 0.000 -12.163) 12.620 3.180 ( -0.085 0.000 -0.657) 0.663 3.210 ( -0.455 0.000 -4.315) 4.339 3.516 ( 3.132 0.000 -1.235) 3.366 3.554 ( -1.498 0.000 -1.671) 2.244 3.740 ( 3.326 0.000 -8.157) 8.809 3.820 ( -5.264 0.000 -0.880) 5.337 3.943 ( -7.965 0.000 9.615) 12.486 4.173 ( -11.358 0.000 -5.291) 12.530 4.186 ( -13.510 0.000 -3.024) 13.845 4.249 ( -3.907 0.000 -0.374) 3.925 4.318 ( 8.293 0.000 -0.354) 8.301 4.513 ( -6.978 0.000 13.995) 15.638 4.794 ( 2.429 0.000 7.150) 7.552 5.121 ( -6.679 0.000 3.731) 7.651 5.244 ( 8.166 0.000 2.836) 8.644 5.405 ( -4.804 0.000 0.767) 4.865 5.561 ( 2.681 0.000 -1.961) 3.322 5.710 ( -0.478 0.000 6.054) 6.073 6.007 ( -3.668 0.000 -5.913) 6.958 6.132 ( -5.186 0.000 -7.831) 9.393 6.499 ( -1.886 0.000 -0.434) 1.935 6.537 ( 6.617 0.000 1.439) 6.771 6.594 ( 4.538 0.000 0.493) 4.565 7.042 ( -0.235 0.000 -5.977) 5.982 7.147 ( -4.625 0.000 -13.459) 14.232 7.161 ( 0.067 0.000 -11.690) 11.690 8.105 ( 3.138 0.000 -1.555) 3.502 8.179 ( 4.813 0.000 -0.991) 4.914 8.410 ( 1.574 0.000 0.043) 1.575 8.917 ( 6.218 0.000 -20.152) 21.090 9.834 ( 5.404 0.000 1.068) 5.508 9.859 ( 3.787 0.000 1.158) 3.960 10.090 ( -1.149 0.000 3.455) 3.641 10.275 ( -7.262 0.000 6.042) 9.447 10.425 ( 0.316 0.000 2.336) 2.357 10.609 ( 2.296 0.000 -0.111) 2.299 10.701 ( 5.439 0.000 -0.002) 5.439 10.709 ( 2.028 0.000 0.213) 2.039 11.525 ( -0.062 0.000 -0.105) 0.122 11.585 ( -0.156 0.000 -0.362) 0.394 11.709 ( -3.659 0.000 3.115) 4.806 11.869 ( -3.168 0.000 -2.806) 4.232 14.782 ( -0.218 0.000 -4.323) 4.329 14.805 ( -2.231 0.000 -0.990) 2.441 14.884 ( -1.525 0.000 -0.937) 1.790 14.907 ( -0.995 0.000 -0.694) 1.213 15.198 ( 0.722 0.000 2.658) 2.755 15.246 ( 2.944 0.000 1.628) 3.364 15.431 ( -0.824 0.000 -0.449) 0.938 15.450 ( 0.774 0.000 0.223) 0.805 17.350 ( 2.185 0.000 -0.006) 2.185 17.361 ( 1.144 0.000 0.808) 1.400 17.469 ( 1.802 0.000 -0.440) 1.855 17.520 ( -0.684 0.000 0.660) 0.950 18.459 ( 0.250 0.000 1.213) 1.238 18.717 ( -1.712 0.000 -2.248) 2.825 19.037 ( -3.456 0.000 7.062) 7.862 19.113 ( -3.492 0.000 -0.178) 3.497 27.831 ( 0.214 0.000 -1.578) 1.593 27.872 ( -0.740 0.000 -0.806) 1.094 27.891 ( -0.732 0.000 1.112) 1.331 27.993 ( -0.970 0.000 1.795) 2.040 29.117 ( 2.105 0.000 1.417) 2.538 29.339 ( -1.083 0.000 -2.167) 2.423 29.956 ( -17.546 0.000 21.822) 28.001 29.973 ( -7.511 0.000 -7.610) 10.692 30.504 ( 6.038 0.000 7.241) 9.429 30.580 ( 3.396 0.000 0.286) 3.408 30.743 ( 2.397 0.000 -0.574) 2.465 31.028 ( 9.997 0.000 -4.132) 10.818 31.952 ( 7.925 0.000 9.858) 12.649 32.113 ( 23.796 0.000 -32.018) 39.893 32.408 ( 0.353 0.000 6.447) 6.457 33.229 ( -10.318 0.000 -7.141) 12.548 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 13.720 0.000 14.776) 20.164 1.409 ( 16.663 0.000 9.714) 19.288 1.936 ( 3.531 0.000 7.477) 8.269 2.213 ( -0.748 0.000 -4.057) 4.125 2.299 ( 3.591 0.000 4.436) 5.707 2.462 ( 0.304 0.000 4.444) 4.454 2.623 ( 17.060 0.000 4.730) 17.703 2.740 ( -10.497 0.000 5.283) 11.751 2.824 ( 5.631 0.000 -2.341) 6.098 2.888 ( 6.251 0.000 -6.709) 9.170 3.145 ( -6.667 0.000 -2.544) 7.136 3.255 ( -4.306 0.000 8.227) 9.285 3.465 ( 1.021 0.000 -8.431) 8.493 3.573 ( 6.957 0.000 -1.593) 7.137 3.717 ( -4.079 0.000 3.082) 5.112 3.722 ( 1.080 0.000 -1.633) 1.958 3.933 ( -7.703 0.000 -7.914) 11.044 3.945 ( -5.037 0.000 -3.488) 6.127 4.021 ( -3.669 0.000 11.092) 11.683 4.241 ( -0.161 0.000 7.865) 7.867 4.516 ( 13.194 0.000 0.764) 13.216 4.561 ( -6.976 0.000 12.450) 14.271 4.882 ( 2.183 0.000 4.367) 4.882 5.032 ( -6.421 0.000 -0.216) 6.425 5.355 ( -2.205 0.000 1.757) 2.819 5.370 ( 4.243 0.000 0.546) 4.278 5.593 ( 1.990 0.000 -0.295) 2.012 5.777 ( -1.261 0.000 8.833) 8.922 5.893 ( -1.126 0.000 -7.159) 7.247 5.974 ( -4.375 0.000 -4.286) 6.125 6.449 ( -2.321 0.000 -2.222) 3.213 6.642 ( -0.321 0.000 1.934) 1.960 6.690 ( 8.536 0.000 3.186) 9.111 6.898 ( -1.308 0.000 -15.112) 15.168 7.004 ( -1.883 0.000 -4.338) 4.729 7.013 ( -1.681 0.000 -10.937) 11.066 8.141 ( 1.737 0.000 0.441) 1.792 8.231 ( 2.438 0.000 -0.381) 2.467 8.422 ( 2.237 0.000 -2.883) 3.649 8.752 ( -2.520 0.000 -14.415) 14.633 9.928 ( 3.819 0.000 0.452) 3.846 9.943 ( 6.428 0.000 1.290) 6.556 10.094 ( -2.466 0.000 2.131) 3.259 10.242 ( -2.450 0.000 2.108) 3.232 10.471 ( 2.515 0.000 1.380) 2.869 10.649 ( 2.692 0.000 0.008) 2.692 10.751 ( 2.668 0.000 0.509) 2.716 10.774 ( 4.231 0.000 -1.041) 4.357 11.520 ( -0.238 0.000 -0.296) 0.380 11.578 ( 0.008 0.000 -0.609) 0.609 11.693 ( -2.340 0.000 2.667) 3.548 11.784 ( -3.259 0.000 -2.808) 4.302 14.745 ( 0.052 0.000 -2.059) 2.060 14.773 ( -0.626 0.000 -0.663) 0.911 14.855 ( -0.602 0.000 -0.862) 1.052 14.879 ( -1.669 0.000 -0.178) 1.679 15.236 ( 0.939 0.000 1.568) 1.828 15.310 ( 2.847 0.000 1.258) 3.112 15.409 ( -1.565 0.000 0.215) 1.579 15.457 ( -0.164 0.000 -0.101) 0.193 17.389 ( 2.362 0.000 0.221) 2.372 17.391 ( 1.357 0.000 0.874) 1.614 17.502 ( 2.844 0.000 -0.321) 2.862 17.520 ( -0.524 0.000 1.037) 1.162 18.496 ( 1.597 0.000 2.770) 3.197 18.664 ( -1.753 0.000 -1.837) 2.539 19.044 ( -4.332 0.000 -0.954) 4.436 19.048 ( -3.006 0.000 3.921) 4.940 27.820 ( 0.109 0.000 -0.920) 0.927 27.857 ( 0.053 0.000 -0.742) 0.744 27.883 ( -1.317 0.000 0.167) 1.328 27.994 ( -0.976 0.000 1.048) 1.432 29.171 ( 2.215 0.000 2.033) 3.007 29.297 ( -1.238 0.000 -1.995) 2.347 29.765 ( -6.509 0.000 -8.921) 11.043 29.912 ( -11.078 0.000 11.098) 15.681 30.632 ( 2.881 0.000 -0.414) 2.910 30.670 ( 2.347 0.000 7.398) 7.761 30.807 ( 6.908 0.000 0.655) 6.939 31.102 ( 5.870 0.000 -4.350) 7.306 32.131 ( 15.665 0.000 -20.813) 26.049 32.204 ( 7.196 0.000 10.390) 12.638 32.519 ( 4.922 0.000 7.037) 8.587 32.962 ( -11.348 0.000 -8.691) 14.294 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 10.923 0.000 10.047) 14.841 1.702 ( 8.191 0.000 6.128) 10.230 1.975 ( -4.165 0.000 4.278) 5.971 2.197 ( 3.665 0.000 -4.314) 5.661 2.284 ( -12.257 0.000 -2.874) 12.590 2.469 ( -4.712 0.000 4.102) 6.247 2.621 ( -1.337 0.000 -9.910) 10.000 2.668 ( -7.759 0.000 7.750) 10.967 2.867 ( -2.138 0.000 -7.598) 7.893 3.002 ( 3.831 0.000 -0.532) 3.868 3.098 ( 11.720 0.000 6.895) 13.597 3.145 ( -12.843 0.000 2.197) 13.029 3.467 ( 6.928 0.000 -6.745) 9.669 3.598 ( -8.179 0.000 -1.113) 8.255 3.723 ( -1.102 0.000 2.252) 2.507 3.735 ( 13.760 0.000 -5.272) 14.735 3.876 ( 3.496 0.000 -0.265) 3.506 3.913 ( 2.059 0.000 3.461) 4.028 4.117 ( 0.153 0.000 9.193) 9.194 4.378 ( -2.583 0.000 12.807) 13.065 4.570 ( -4.667 0.000 7.471) 8.809 4.675 ( 4.000 0.000 0.730) 4.066 4.929 ( -4.296 0.000 -1.425) 4.526 5.006 ( 7.618 0.000 4.161) 8.680 5.397 ( 3.685 0.000 2.779) 4.615 5.410 ( 3.250 0.000 -1.614) 3.629 5.598 ( -1.476 0.000 1.129) 1.859 5.776 ( 0.745 0.000 -8.069) 8.103 5.910 ( 1.268 0.000 9.509) 9.593 5.947 ( 1.324 0.000 4.789) 4.969 6.386 ( -0.091 0.000 -4.807) 4.808 6.625 ( -6.101 0.000 4.132) 7.369 6.731 ( 0.636 0.000 -13.067) 13.082 6.785 ( 1.235 0.000 -7.429) 7.531 6.921 ( -2.873 0.000 -4.355) 5.217 6.958 ( 6.670 0.000 0.825) 6.721 8.167 ( -0.230 0.000 1.959) 1.972 8.244 ( -1.064 0.000 0.793) 1.327 8.423 ( 2.756 0.000 -3.883) 4.762 8.526 ( -6.489 0.000 -11.870) 13.528 9.987 ( 2.180 0.000 0.731) 2.299 10.060 ( 5.976 0.000 1.495) 6.160 10.063 ( -1.906 0.000 -0.486) 1.967 10.241 ( 0.167 0.000 0.648) 0.670 10.528 ( 2.737 0.000 1.003) 2.915 10.691 ( 2.344 0.000 0.172) 2.351 10.800 ( 2.564 0.000 0.548) 2.622 10.810 ( 2.154 0.000 -1.420) 2.580 11.512 ( -0.247 0.000 -0.358) 0.435 11.572 ( 0.087 0.000 -0.592) 0.598 11.692 ( -1.360 0.000 2.126) 2.524 11.710 ( -2.299 0.000 -2.041) 3.074 14.736 ( 0.592 0.000 -0.735) 0.944 14.760 ( -0.296 0.000 -0.766) 0.822 14.857 ( -1.134 0.000 0.459) 1.224 14.858 ( 1.690 0.000 0.083) 1.692 15.262 ( 0.805 0.000 0.721) 1.080 15.359 ( 2.271 0.000 -0.021) 2.271 15.389 ( -2.040 0.000 1.370) 2.458 15.442 ( -1.106 0.000 -0.534) 1.228 17.424 ( 1.671 0.000 0.743) 1.829 17.425 ( 1.995 0.000 -0.037) 1.995 17.526 ( -0.632 0.000 1.452) 1.584 17.549 ( 3.186 0.000 -0.149) 3.190 18.565 ( 2.340 0.000 3.287) 4.035 18.626 ( -1.135 0.000 -0.624) 1.295 18.958 ( -4.319 0.000 -1.753) 4.661 19.028 ( -3.295 0.000 1.596) 3.661 27.809 ( -0.439 0.000 -0.861) 0.967 27.855 ( -1.649 0.000 -0.523) 1.730 27.859 ( 1.006 0.000 -0.493) 1.120 27.983 ( -1.481 0.000 0.490) 1.560 29.231 ( 2.042 0.000 2.285) 3.064 29.256 ( -1.263 0.000 -1.615) 2.050 29.579 ( -4.585 0.000 -7.875) 9.113 29.855 ( -7.296 0.000 5.108) 8.906 30.662 ( 1.678 0.000 -0.526) 1.758 30.736 ( 0.079 0.000 2.975) 2.976 30.963 ( 6.829 0.000 4.492) 8.174 31.128 ( 2.755 0.000 -3.060) 4.118 32.151 ( 11.208 0.000 -13.434) 17.495 32.374 ( 2.676 0.000 6.543) 7.069 32.693 ( -9.873 0.000 -8.366) 12.941 32.724 ( 9.034 0.000 7.507) 11.746 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.478 0.000 2.322) 2.370 1.809 ( 3.292 0.000 3.045) 4.484 1.954 ( -14.603 0.000 -7.878) 16.592 1.966 ( -0.640 0.000 1.627) 1.748 2.205 ( 1.782 0.000 -1.829) 2.554 2.415 ( -4.900 0.000 0.993) 5.000 2.468 ( -5.321 0.000 -6.396) 8.319 2.544 ( -8.808 0.000 3.109) 9.341 2.929 ( 5.575 0.000 4.137) 6.942 2.962 ( -9.454 0.000 -0.197) 9.456 3.114 ( 7.266 0.000 -0.262) 7.271 3.273 ( 5.941 0.000 0.984) 6.022 3.495 ( 4.501 0.000 -4.548) 6.399 3.528 ( -2.781 0.000 3.729) 4.652 3.725 ( -0.658 0.000 1.057) 1.246 3.826 ( 8.926 0.000 -10.570) 13.834 3.990 ( 0.120 0.000 3.684) 3.686 4.003 ( 6.625 0.000 5.043) 8.326 4.241 ( 4.336 0.000 6.323) 7.667 4.382 ( -8.038 0.000 7.320) 10.872 4.561 ( -3.787 0.000 0.892) 3.891 4.664 ( -4.403 0.000 -0.190) 4.407 4.898 ( -0.151 0.000 1.514) 1.522 5.174 ( 6.814 0.000 2.650) 7.311 5.470 ( 3.027 0.000 2.691) 4.050 5.476 ( 2.634 0.000 0.444) 2.671 5.600 ( -1.274 0.000 3.222) 3.464 5.709 ( 4.158 0.000 -10.213) 11.027 6.044 ( 2.798 0.000 6.829) 7.380 6.085 ( 0.755 0.000 11.840) 11.864 6.370 ( 7.503 0.000 -6.219) 9.745 6.557 ( -10.144 0.000 7.739) 12.759 6.632 ( 5.133 0.000 -11.859) 12.922 6.679 ( -1.711 0.000 -7.416) 7.610 6.812 ( -5.209 0.000 -3.145) 6.085 7.101 ( 5.949 0.000 1.709) 6.189 8.179 ( -0.689 0.000 1.680) 1.815 8.218 ( -4.442 0.000 2.600) 5.147 8.314 ( -3.666 0.000 -9.211) 9.914 8.425 ( 2.010 0.000 -2.516) 3.220 9.983 ( -2.002 0.000 -0.287) 2.023 10.062 ( 1.867 0.000 -0.368) 1.903 10.157 ( 3.854 0.000 1.233) 4.047 10.252 ( 0.468 0.000 0.062) 0.472 10.573 ( 1.676 0.000 0.526) 1.757 10.724 ( 1.365 0.000 0.214) 1.382 10.818 ( 0.689 0.000 -0.977) 1.195 10.840 ( 1.597 0.000 0.310) 1.627 11.506 ( -0.127 0.000 -0.241) 0.273 11.569 ( 0.161 0.000 -0.289) 0.331 11.667 ( -1.029 0.000 -0.963) 1.410 11.693 ( -0.816 0.000 1.052) 1.331 14.740 ( 0.473 0.000 -0.261) 0.540 14.746 ( -0.284 0.000 -0.690) 0.746 14.853 ( -0.276 0.000 0.743) 0.793 14.897 ( 2.134 0.000 0.560) 2.207 15.278 ( 0.490 0.000 0.155) 0.514 15.372 ( -0.175 0.000 -0.423) 0.458 15.386 ( -0.141 0.000 1.218) 1.226 15.416 ( -1.093 0.000 -0.493) 1.198 17.449 ( 1.125 0.000 -0.145) 1.134 17.460 ( 1.971 0.000 0.329) 1.998 17.528 ( -1.163 0.000 1.387) 1.810 17.593 ( 2.168 0.000 -0.101) 2.170 18.614 ( -0.289 0.000 0.298) 0.415 18.631 ( 1.685 0.000 2.186) 2.760 18.878 ( -2.836 0.000 -1.591) 3.251 18.988 ( -2.532 0.000 0.179) 2.538 27.780 ( -1.362 0.000 -1.286) 1.873 27.833 ( -0.509 0.000 -0.093) 0.517 27.878 ( 1.773 0.000 -0.138) 1.778 27.958 ( -2.009 0.000 0.046) 2.009 29.225 ( -0.761 0.000 -0.904) 1.182 29.282 ( 1.380 0.000 1.674) 2.170 29.453 ( -2.265 0.000 -4.491) 5.030 29.802 ( -3.866 0.000 1.690) 4.220 30.678 ( 0.872 0.000 -0.256) 0.909 30.760 ( 0.167 0.000 1.208) 1.219 31.088 ( 2.972 0.000 3.245) 4.400 31.127 ( 0.625 0.000 -1.598) 1.715 32.196 ( 8.254 0.000 -6.114) 10.272 32.459 ( 1.448 0.000 3.043) 3.370 32.473 ( -7.500 0.000 -5.776) 9.467 32.921 ( 5.810 0.000 4.815) 7.546 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.743 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 -0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 -0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 -0.000) 0.000 3.507 ( 0.000 0.000 -0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 -0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.611 ( -0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 -0.000) 0.000 6.599 ( 0.000 0.000 -0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.726 ( -0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 -0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.742 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 15.368 ( -0.000 0.000 0.000) 0.000 15.392 ( 0.000 0.000 -0.000) 0.000 15.404 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.482 ( 0.000 0.000 0.000) 0.000 17.523 ( 0.000 0.000 -0.000) 0.000 17.610 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 18.658 ( 0.000 0.000 0.000) 0.000 18.845 ( 0.000 0.000 0.000) 0.000 18.966 ( 0.000 0.000 0.000) 0.000 27.758 ( 0.000 0.000 0.000) 0.000 27.830 ( 0.000 0.000 0.000) 0.000 27.901 ( 0.000 0.000 0.000) 0.000 27.933 ( 0.000 0.000 0.000) 0.000 29.214 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 0.000) 0.000 29.410 ( 0.000 0.000 0.000) 0.000 29.779 ( 0.000 0.000 0.000) 0.000 30.683 ( 0.000 0.000 0.000) 0.000 30.769 ( 0.000 0.000 -0.000) 0.000 31.121 ( 0.000 0.000 0.000) 0.000 31.129 ( 0.000 0.000 0.000) 0.000 32.255 ( 0.000 0.000 0.000) 0.000 32.352 ( 0.000 0.000 0.000) 0.000 32.488 ( 0.000 0.000 0.000) 0.000 32.996 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 13 (8/129) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 23.773 0.000) 23.773 0.602 ( 0.000 29.937 0.000) 29.937 1.002 ( 0.000 48.536 0.000) 48.536 1.747 ( 0.000 -15.162 0.000) 15.162 2.182 ( 0.000 -12.728 0.000) 12.728 2.312 ( 0.000 0.220 0.000) 0.220 2.324 ( 0.000 0.396 0.000) 0.396 2.471 ( 0.000 9.169 0.000) 9.169 2.644 ( 0.000 7.117 0.000) 7.117 2.867 ( 0.000 -6.001 0.000) 6.001 3.296 ( 0.000 -13.734 0.000) 13.734 3.368 ( 0.000 -6.216 0.000) 6.216 3.483 ( 0.000 2.061 0.000) 2.061 3.630 ( 0.000 8.338 0.000) 8.338 3.894 ( 0.000 -9.495 0.000) 9.495 3.935 ( 0.000 12.302 0.000) 12.302 4.073 ( 0.000 -6.732 0.000) 6.732 4.098 ( 0.000 3.777 0.000) 3.777 4.312 ( 0.000 4.390 0.000) 4.390 4.380 ( 0.000 -1.468 0.000) 1.468 4.522 ( 0.000 -2.956 0.000) 2.956 4.671 ( 0.000 9.736 0.000) 9.736 4.805 ( 0.000 5.523 0.000) 5.523 4.832 ( 0.000 -8.761 0.000) 8.761 5.063 ( 0.000 1.921 0.000) 1.921 5.409 ( 0.000 -5.458 0.000) 5.458 5.570 ( 0.000 -3.824 0.000) 3.824 5.581 ( 0.000 0.695 0.000) 0.695 6.252 ( 0.000 1.831 0.000) 1.831 6.303 ( 0.000 2.313 0.000) 2.313 6.321 ( 0.000 -1.429 0.000) 1.429 6.514 ( 0.000 -2.003 0.000) 2.003 7.062 ( 0.000 -2.383 0.000) 2.383 7.140 ( 0.000 -1.788 0.000) 1.788 7.258 ( 0.000 5.131 0.000) 5.131 7.609 ( 0.000 -4.836 0.000) 4.836 8.104 ( 0.000 1.976 0.000) 1.976 8.199 ( 0.000 -0.417 0.000) 0.417 8.313 ( 0.000 1.660 0.000) 1.660 8.479 ( 0.000 -2.043 0.000) 2.043 9.724 ( 0.000 0.142 0.000) 0.142 9.745 ( 0.000 -0.331 0.000) 0.331 9.986 ( 0.000 1.073 0.000) 1.073 10.056 ( 0.000 -0.561 0.000) 0.561 10.417 ( 0.000 1.736 0.000) 1.736 10.557 ( 0.000 -1.378 0.000) 1.378 10.578 ( 0.000 0.756 0.000) 0.756 10.675 ( 0.000 -1.564 0.000) 1.564 11.608 ( 0.000 1.360 0.000) 1.360 11.696 ( 0.000 -0.177 0.000) 0.177 11.969 ( 0.000 0.711 0.000) 0.711 12.117 ( 0.000 -2.191 0.000) 2.191 14.723 ( 0.000 1.279 0.000) 1.279 14.856 ( 0.000 -2.481 0.000) 2.481 14.927 ( 0.000 0.789 0.000) 0.789 14.929 ( 0.000 0.034 0.000) 0.034 15.107 ( 0.000 2.439 0.000) 2.439 15.353 ( 0.000 -3.892 0.000) 3.892 15.451 ( 0.000 0.349 0.000) 0.349 15.452 ( 0.000 0.963 0.000) 0.963 17.317 ( 0.000 0.547 0.000) 0.547 17.388 ( 0.000 -1.494 0.000) 1.494 17.467 ( 0.000 1.271 0.000) 1.271 17.524 ( 0.000 -0.425 0.000) 0.425 18.662 ( 0.000 -0.337 0.000) 0.337 18.672 ( 0.000 -1.504 0.000) 1.504 18.845 ( 0.000 5.145 0.000) 5.145 19.146 ( 0.000 -2.731 0.000) 2.731 27.874 ( 0.000 0.436 0.000) 0.436 27.875 ( 0.000 0.536 0.000) 0.536 27.901 ( 0.000 -0.577 0.000) 0.577 27.936 ( 0.000 -0.496 0.000) 0.496 29.085 ( 0.000 2.193 0.000) 2.193 29.157 ( 0.000 0.193 0.000) 0.193 30.239 ( 0.000 -0.495 0.000) 0.495 30.247 ( 0.000 -1.557 0.000) 1.557 30.319 ( 0.000 1.574 0.000) 1.574 30.436 ( 0.000 -0.396 0.000) 0.396 30.644 ( 0.000 -1.913 0.000) 1.913 30.659 ( 0.000 -3.005 0.000) 3.005 30.966 ( 0.000 10.441 0.000) 10.441 31.657 ( 0.000 -7.666 0.000) 7.666 33.442 ( 0.000 3.504 0.000) 3.504 33.682 ( 0.000 -2.246 0.000) 2.246 ======================= Grid point 14 (9/129) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 6.880 18.835 16.304) 25.844 0.734 ( 15.130 19.670 5.427) 25.402 1.292 ( 14.552 35.948 20.324) 43.785 1.889 ( 11.203 -15.205 2.466) 19.047 2.181 ( 4.584 -14.086 -1.191) 14.861 2.314 ( 1.552 2.065 0.497) 2.631 2.341 ( 1.636 4.986 3.193) 6.143 2.474 ( 3.971 4.166 -5.319) 7.837 2.686 ( 1.845 10.046 8.743) 13.444 2.926 ( 4.084 -7.299 1.348) 8.472 3.265 ( -5.164 -6.237 -6.164) 10.177 3.353 ( 0.122 -1.075 -1.771) 2.075 3.446 ( -1.421 -2.099 -0.023) 2.535 3.601 ( -3.189 4.446 2.266) 5.923 3.806 ( -2.926 1.008 -3.742) 4.856 3.925 ( -1.863 7.137 -2.856) 7.910 3.973 ( -1.035 -5.559 -4.001) 6.927 4.179 ( 3.591 -4.424 -0.087) 5.699 4.287 ( -1.012 1.110 -6.304) 6.481 4.364 ( -14.359 1.885 1.059) 14.521 4.375 ( -6.047 -2.740 3.999) 7.751 4.663 ( -8.795 8.526 4.885) 13.188 4.683 ( -4.101 2.500 5.715) 7.466 4.992 ( 6.904 -5.158 5.329) 10.133 5.121 ( -0.045 -2.747 4.211) 5.028 5.418 ( -0.517 -4.078 1.837) 4.503 5.549 ( 0.161 -0.523 -2.857) 2.909 5.586 ( 0.521 -5.085 1.230) 5.258 6.134 ( -9.204 1.125 -2.600) 9.630 6.233 ( -2.047 0.602 -0.815) 2.284 6.423 ( 7.092 -0.296 -2.132) 7.411 6.507 ( -0.280 -1.605 -0.704) 1.774 6.915 ( -6.671 15.390 -7.605) 18.418 7.037 ( -0.290 -3.153 -4.056) 5.145 7.263 ( 1.114 1.242 -6.841) 7.042 7.435 ( -2.058 3.366 -14.611) 15.134 8.107 ( 4.292 3.106 -0.085) 5.298 8.174 ( 1.968 3.647 -4.712) 6.275 8.352 ( 1.157 -0.763 2.822) 3.144 8.769 ( 20.308 -15.649 -12.449) 28.501 9.755 ( 3.271 0.337 0.790) 3.382 9.796 ( 3.062 0.225 2.345) 3.863 10.057 ( -0.122 -1.117 2.915) 3.124 10.116 ( -1.533 -6.847 13.479) 15.196 10.419 ( 0.441 1.880 0.183) 1.940 10.587 ( 2.595 -1.418 0.752) 3.051 10.615 ( 3.904 0.468 0.126) 3.934 10.682 ( 1.470 -0.916 -0.866) 1.937 11.603 ( -0.483 1.419 -0.264) 1.522 11.675 ( -1.275 1.604 -1.911) 2.801 11.873 ( -13.140 9.450 -4.624) 16.833 11.938 ( -2.636 0.258 -1.856) 3.234 14.771 ( 3.094 -2.450 -1.639) 4.273 14.850 ( -0.440 -3.034 0.806) 3.170 14.892 ( -2.008 1.228 -2.359) 3.332 14.915 ( -1.048 -0.099 -0.891) 1.379 15.139 ( 1.377 1.550 2.506) 3.252 15.309 ( -2.343 1.202 -0.845) 2.766 15.432 ( -0.105 1.166 -1.052) 1.574 15.456 ( 0.575 0.559 -0.192) 0.825 17.326 ( 0.584 0.475 0.638) 0.987 17.375 ( -0.039 1.473 -1.268) 1.944 17.434 ( -0.373 -0.543 -0.743) 0.993 17.517 ( -0.774 -0.807 0.048) 1.119 18.531 ( -2.291 5.153 -2.311) 6.094 18.747 ( -0.513 -2.154 -0.020) 2.214 18.927 ( -1.613 -2.419 10.463) 10.860 19.130 ( -2.053 -2.723 0.187) 3.416 27.850 ( -0.172 0.120 -2.199) 2.209 27.868 ( -0.590 -0.904 -0.105) 1.084 27.903 ( -0.568 0.565 1.150) 1.402 27.965 ( -0.616 -1.288 3.150) 3.458 29.104 ( 1.931 2.842 1.453) 3.731 29.314 ( 4.034 -3.635 6.596) 8.544 30.008 ( -26.350 1.665 22.360) 34.599 30.146 ( -7.742 -1.526 -3.903) 8.803 30.368 ( 4.410 1.130 2.214) 5.063 30.490 ( 2.745 -3.326 -1.439) 4.547 30.769 ( 4.935 1.748 -1.257) 5.384 30.840 ( 14.490 -2.113 -1.052) 14.681 31.315 ( 40.215 -14.704 -8.967) 43.748 31.706 ( 3.614 -7.192 4.404) 9.175 33.176 ( -15.053 21.511 -18.426) 32.075 33.465 ( -8.787 2.618 -5.956) 10.934 ======================= Grid point 15 (10/129) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 13.652 13.033 17.425) 25.688 1.108 ( 18.064 10.527 10.324) 23.317 1.741 ( 14.257 14.343 12.930) 24.004 2.037 ( 4.728 -13.250 2.067) 14.220 2.262 ( 4.709 -5.955 -0.684) 7.622 2.396 ( 7.228 9.536 5.003) 12.970 2.429 ( 5.775 6.251 0.112) 8.511 2.648 ( 11.485 -0.851 11.724) 16.434 2.874 ( 7.634 9.195 7.856) 14.302 2.983 ( 5.719 -6.557 -5.333) 10.205 3.029 ( -12.505 0.787 -6.097) 13.934 3.274 ( -2.980 1.854 -1.956) 4.018 3.486 ( 2.367 -4.874 1.324) 5.578 3.579 ( -4.849 3.593 -1.532) 6.226 3.751 ( 0.784 -1.046 -5.100) 5.264 3.825 ( -4.005 0.526 -1.431) 4.285 3.939 ( -0.979 -7.024 -1.654) 7.282 4.104 ( -10.193 3.165 0.216) 10.675 4.204 ( -5.407 0.976 -2.810) 6.171 4.254 ( 2.686 -1.837 -0.824) 3.357 4.314 ( -5.263 -1.662 2.031) 5.881 4.465 ( -11.732 -0.125 5.229) 12.845 4.802 ( 0.207 0.155 8.258) 8.262 5.075 ( -6.098 -4.504 5.964) 9.646 5.183 ( 2.787 -4.047 4.616) 6.742 5.423 ( 0.520 0.367 0.070) 0.640 5.550 ( 2.362 -0.869 -0.700) 2.613 5.616 ( -0.941 -8.434 4.580) 9.643 5.987 ( -4.887 2.402 -3.403) 6.421 6.172 ( -3.074 1.899 -2.772) 4.555 6.480 ( -0.532 -1.706 -2.031) 2.705 6.515 ( 6.218 -2.229 -0.897) 6.666 6.805 ( 0.281 13.232 -5.517) 14.339 6.970 ( -1.313 -3.408 -5.682) 6.754 7.144 ( -3.713 1.228 -9.235) 10.029 7.254 ( -1.053 4.634 -13.044) 13.883 8.167 ( 3.805 5.836 -2.822) 7.517 8.197 ( 4.694 2.181 -0.525) 5.203 8.387 ( 1.279 -2.157 0.125) 2.511 8.812 ( 6.531 -9.441 -14.469) 18.470 9.838 ( 5.349 0.581 1.387) 5.556 9.872 ( 3.532 0.881 1.406) 3.902 10.083 ( -0.716 -0.603 2.990) 3.133 10.189 ( -2.746 -5.804 6.406) 9.070 10.442 ( 1.985 2.090 0.414) 2.912 10.639 ( 2.482 0.152 0.829) 2.621 10.673 ( 3.558 -0.782 -1.313) 3.873 10.716 ( 3.977 -0.052 -0.323) 3.990 11.587 ( -1.052 2.566 -0.626) 2.843 11.621 ( -1.464 4.143 -2.128) 4.882 11.725 ( -5.071 1.950 1.492) 5.634 11.858 ( -3.486 -0.974 -3.256) 4.869 14.766 ( 0.041 -0.681 -1.479) 1.629 14.824 ( -2.069 1.079 -2.903) 3.725 14.863 ( -0.124 -3.083 0.194) 3.091 14.881 ( -1.711 -0.446 -0.499) 1.838 15.189 ( 1.476 0.491 2.032) 2.559 15.293 ( 0.022 1.301 0.761) 1.508 15.422 ( -0.116 0.501 -0.851) 0.994 15.465 ( 0.343 0.687 0.291) 0.821 17.350 ( 1.286 0.193 0.920) 1.593 17.378 ( 1.210 1.398 -0.066) 1.850 17.441 ( 1.492 -2.183 -0.113) 2.646 17.507 ( -0.679 -1.303 0.415) 1.527 18.506 ( -0.275 4.230 0.763) 4.307 18.719 ( -1.371 -0.151 -1.568) 2.088 18.989 ( -2.376 -3.319 6.747) 7.885 19.088 ( -3.339 -2.475 0.069) 4.157 27.828 ( 0.031 -0.215 -1.512) 1.528 27.855 ( -0.642 -1.154 -0.330) 1.361 27.906 ( -0.615 1.082 0.901) 1.537 27.981 ( -0.749 -1.043 1.831) 2.237 29.164 ( 2.504 4.501 2.423) 5.692 29.369 ( 0.313 2.066 -0.670) 2.194 29.903 ( -14.079 -3.695 12.620) 19.265 29.961 ( -9.445 -1.919 -2.212) 9.889 30.489 ( 5.648 -0.781 2.875) 6.385 30.556 ( 5.537 -1.499 1.538) 5.939 30.810 ( 2.514 4.738 -0.346) 5.375 31.005 ( 9.578 -2.227 -3.978) 10.607 31.751 ( 26.351 -14.525 -8.791) 31.347 31.893 ( 11.351 -6.348 7.515) 15.021 32.823 ( -8.927 20.712 -9.499) 24.473 33.238 ( -11.229 0.416 -6.955) 13.215 ======================= Grid point 16 (11/129) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 14.039 12.918 14.264) 23.821 1.491 ( 14.685 7.344 9.765) 19.103 1.986 ( 3.491 3.083 5.154) 6.947 2.111 ( 4.549 -5.784 2.483) 7.767 2.319 ( 2.171 -1.605 1.381) 3.033 2.509 ( 5.546 5.749 0.042) 7.988 2.668 ( -0.552 4.831 3.965) 6.274 2.802 ( 0.640 1.489 -3.198) 3.585 2.860 ( 8.333 3.212 2.446) 9.260 2.929 ( -2.145 5.461 -1.772) 6.128 3.098 ( 4.935 -1.351 1.211) 5.258 3.286 ( -5.088 1.667 7.903) 9.546 3.349 ( -8.302 -4.886 -10.219) 14.043 3.528 ( 1.289 -4.634 2.294) 5.329 3.749 ( -0.144 0.571 3.568) 3.617 3.791 ( 1.645 -5.346 -4.625) 7.258 3.868 ( -1.426 2.950 -4.634) 5.676 3.980 ( -8.816 4.450 2.302) 10.140 4.105 ( -3.047 6.875 2.050) 7.794 4.224 ( -1.522 -2.521 5.072) 5.865 4.424 ( 2.478 -7.582 7.583) 11.006 4.460 ( 6.526 -7.480 2.946) 10.354 4.865 ( -1.141 -1.554 5.411) 5.744 5.016 ( -5.289 -2.512 1.258) 5.989 5.231 ( -1.233 -4.748 3.600) 6.085 5.459 ( 2.143 2.700 0.680) 3.514 5.558 ( 0.188 -4.996 -2.712) 5.688 5.687 ( 0.070 -7.189 10.169) 12.454 5.910 ( -1.692 6.417 -0.994) 6.710 6.081 ( -2.777 5.118 -3.649) 6.872 6.428 ( -0.959 -1.791 -4.338) 4.791 6.625 ( 8.086 -5.152 -1.299) 9.676 6.763 ( -2.431 8.703 -0.095) 9.036 6.872 ( -1.210 -1.706 -6.571) 6.896 6.987 ( -2.553 1.618 -8.868) 9.369 7.099 ( -1.264 3.960 -11.310) 12.050 8.195 ( 1.988 5.093 -0.847) 5.532 8.249 ( 2.303 1.925 -0.634) 3.068 8.402 ( 2.179 -1.976 -2.250) 3.703 8.692 ( -1.894 -5.732 -12.578) 13.952 9.938 ( 3.448 0.853 0.545) 3.594 9.947 ( 5.976 0.389 1.476) 6.168 10.093 ( -1.571 -0.063 1.808) 2.396 10.204 ( -0.695 -3.153 2.213) 3.914 10.489 ( 3.053 2.106 0.672) 3.769 10.680 ( 2.106 2.196 0.105) 3.045 10.717 ( 3.443 -2.697 -0.449) 4.397 10.775 ( 3.710 -0.305 -0.925) 3.836 11.556 ( -1.270 3.159 -0.937) 3.531 11.597 ( -0.101 1.792 -0.728) 1.937 11.690 ( -2.557 -0.330 2.211) 3.396 11.767 ( -3.193 -1.640 -3.000) 4.678 14.758 ( 0.043 1.305 -1.503) 1.991 14.771 ( -0.581 -0.085 -0.837) 1.023 14.833 ( -1.195 -1.665 -1.633) 2.621 14.874 ( -0.598 -0.768 1.126) 1.488 15.229 ( 1.294 -0.170 1.178) 1.758 15.312 ( 0.800 -0.877 0.906) 1.493 15.409 ( -0.459 0.933 -0.546) 1.174 15.468 ( -0.482 0.594 0.387) 0.857 17.385 ( 1.769 -0.044 0.949) 2.008 17.404 ( 1.616 1.015 0.288) 1.930 17.475 ( 2.632 -2.323 0.080) 3.512 17.507 ( -0.183 -1.227 0.873) 1.518 18.533 ( 1.204 3.449 2.436) 4.391 18.679 ( -1.390 1.175 -1.214) 2.187 19.000 ( -3.402 -3.307 2.346) 5.293 19.032 ( -3.483 -1.986 0.829) 4.094 27.817 ( 0.069 -0.228 -0.812) 0.846 27.842 ( -0.378 -1.028 -0.499) 1.203 27.901 ( -0.876 1.327 0.177) 1.600 27.984 ( -0.904 -0.935 1.043) 1.667 29.230 ( 2.235 5.467 2.307) 6.341 29.346 ( -0.853 4.263 -1.712) 4.672 29.745 ( -6.646 -1.866 -7.426) 10.139 29.872 ( -10.017 -3.908 9.983) 14.672 30.569 ( 3.021 -2.190 -0.040) 3.731 30.700 ( 5.352 -1.174 5.894) 8.047 30.854 ( 3.799 4.700 -0.444) 6.060 31.078 ( 5.903 -2.227 -3.753) 7.342 32.000 ( 18.408 -6.426 -9.043) 21.493 32.178 ( 12.062 -5.014 6.574) 14.623 32.662 ( -3.568 10.611 -1.276) 11.267 32.966 ( -11.762 0.034 -7.593) 14.000 ======================= Grid point 17 (12/129) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 5.310 7.854 9.948) 13.742 1.774 ( 10.856 9.430 5.873) 15.533 2.024 ( -2.228 1.922 3.630) 4.673 2.216 ( 4.067 5.205 -0.279) 6.611 2.299 ( -7.744 -2.450 -1.194) 8.210 2.467 ( -6.334 5.329 -5.302) 9.830 2.616 ( -3.776 -0.788 5.806) 6.970 2.760 ( -3.646 7.050 -5.241) 9.512 2.855 ( -1.486 -1.045 -6.899) 7.134 2.948 ( -1.819 -4.912 -5.064) 7.286 3.149 ( 5.768 -1.349 3.471) 6.866 3.191 ( 0.864 5.636 -0.304) 5.710 3.362 ( 0.928 0.267 6.451) 6.522 3.542 ( -2.947 -7.879 0.799) 8.450 3.704 ( -3.253 2.722 -0.263) 4.250 3.805 ( 3.168 -6.479 -3.649) 8.082 3.877 ( 0.568 0.566 4.994) 5.058 3.967 ( 7.659 7.686 -1.158) 10.912 4.137 ( 0.355 2.725 4.893) 5.611 4.326 ( 1.378 -5.648 7.886) 9.797 4.467 ( -4.570 -6.586 8.516) 11.695 4.652 ( 6.322 -1.452 2.618) 6.995 4.922 ( -0.367 -2.180 0.275) 2.228 4.960 ( 2.353 -2.492 2.769) 4.406 5.298 ( 4.596 -5.203 4.460) 8.252 5.461 ( -0.869 -1.687 -2.698) 3.298 5.531 ( -0.127 -2.140 0.615) 2.230 5.829 ( 1.579 -5.688 10.934) 12.426 5.871 ( -1.328 7.153 -2.013) 7.549 6.059 ( 1.014 6.349 2.852) 7.033 6.375 ( 3.372 0.180 -6.849) 7.636 6.664 ( 1.017 -3.346 -5.846) 6.812 6.693 ( -7.282 5.191 1.601) 9.085 6.854 ( 0.043 3.522 -8.543) 9.241 6.873 ( 2.671 -2.848 -2.347) 4.555 6.981 ( 1.237 0.825 -5.248) 5.454 8.196 ( -1.061 2.892 -0.673) 3.153 8.268 ( -0.136 2.247 1.505) 2.708 8.409 ( 2.244 -1.432 -3.107) 4.091 8.492 ( -5.561 -3.309 -10.836) 12.621 9.991 ( 2.079 0.451 0.567) 2.201 10.038 ( 1.994 -1.031 0.361) 2.274 10.093 ( 2.296 1.783 0.630) 2.974 10.223 ( 0.894 -1.688 0.744) 2.050 10.547 ( 2.957 2.037 0.709) 3.660 10.713 ( 1.860 1.855 0.005) 2.627 10.766 ( 2.847 -2.834 -0.118) 4.019 10.809 ( 2.020 -0.590 -1.004) 2.331 11.530 ( -0.827 1.668 -0.839) 2.042 11.592 ( 0.069 1.869 -0.229) 1.884 11.672 ( -2.103 -1.750 -0.063) 2.736 11.707 ( -1.388 -0.605 -0.137) 1.521 14.729 ( -0.419 -0.224 -1.685) 1.751 14.784 ( 0.723 1.951 0.569) 2.157 14.809 ( -0.007 -2.587 -0.645) 2.666 14.885 ( 0.512 0.489 1.202) 1.395 15.256 ( 0.975 -0.419 0.497) 1.172 15.330 ( 0.306 -2.670 0.531) 2.739 15.397 ( -0.388 1.391 -0.397) 1.498 15.459 ( -1.108 0.765 0.276) 1.375 17.423 ( 1.680 0.075 0.763) 1.847 17.434 ( 1.799 0.765 0.184) 1.963 17.513 ( 0.127 -1.363 1.254) 1.857 17.527 ( 2.662 -1.814 0.100) 3.223 18.591 ( 1.940 2.545 2.945) 4.350 18.653 ( -0.819 2.370 -0.058) 2.509 18.935 ( -4.111 -2.089 -1.340) 4.801 18.999 ( -3.206 -2.684 1.343) 4.392 27.807 ( -0.414 -0.192 -0.786) 0.909 27.831 ( -0.292 -1.094 -0.455) 1.221 27.886 ( -0.484 1.572 -0.344) 1.680 27.974 ( -1.386 -0.875 0.435) 1.696 29.270 ( 0.489 3.947 -0.594) 4.021 29.330 ( 0.283 6.230 1.287) 6.368 29.571 ( -4.672 -0.654 -6.930) 8.383 29.825 ( -6.563 -3.108 5.191) 8.926 30.601 ( 1.548 -2.315 -0.416) 2.815 30.811 ( 1.096 0.962 4.698) 4.919 30.923 ( 4.541 -0.347 -0.294) 4.564 31.128 ( 4.091 -0.559 -1.155) 4.288 32.142 ( 13.030 -0.137 -10.212) 16.555 32.363 ( 3.688 -2.327 3.579) 5.641 32.663 ( -2.427 -0.273 -2.607) 3.572 32.753 ( -1.881 0.829 1.369) 2.469 ======================= Grid point 18 (13/129) ======================= q-point: ( 0.42 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.692 3.565 2.492) 5.705 1.911 ( -1.750 7.102 -0.913) 7.371 2.027 ( -0.124 4.060 0.792) 4.139 2.121 ( -3.684 11.382 -1.218) 12.026 2.247 ( -2.589 3.117 1.572) 4.346 2.328 ( -3.258 -1.364 -1.658) 3.902 2.534 ( -8.815 5.311 -8.904) 13.608 2.578 ( -5.736 1.329 2.724) 6.488 2.783 ( -0.492 -2.635 -2.252) 3.501 3.030 ( 6.551 -5.835 -1.620) 8.921 3.152 ( 0.351 4.781 4.365) 6.484 3.337 ( 11.439 1.139 -3.438) 11.998 3.435 ( 0.350 2.601 4.515) 5.223 3.515 ( -3.460 -4.177 4.155) 6.832 3.696 ( 1.211 1.757 0.052) 2.134 3.776 ( -1.382 -7.590 -3.428) 8.442 3.943 ( 0.691 -5.401 3.412) 6.425 4.109 ( 7.423 5.746 1.279) 9.474 4.196 ( 2.206 -2.826 1.525) 3.895 4.387 ( -1.715 0.295 4.397) 4.729 4.473 ( -3.876 -5.108 3.926) 7.518 4.696 ( -1.637 4.150 1.484) 4.702 4.882 ( -0.933 -0.244 -0.156) 0.977 5.113 ( 6.709 -6.684 2.482) 9.790 5.401 ( -0.198 -8.600 -1.596) 8.749 5.420 ( 2.479 -6.092 0.281) 6.583 5.588 ( 1.984 6.473 5.229) 8.554 5.829 ( 1.963 5.716 -1.621) 6.258 5.999 ( 3.684 -3.939 7.694) 9.396 6.109 ( -1.692 0.207 5.252) 5.521 6.406 ( 8.613 4.690 -5.901) 11.446 6.590 ( -9.409 2.840 4.520) 10.818 6.599 ( -0.080 -1.181 -4.750) 4.896 6.740 ( 0.163 3.167 -11.554) 11.982 6.814 ( -2.050 0.833 -1.785) 2.843 7.072 ( 5.900 -2.911 1.668) 6.788 8.157 ( -2.208 -0.665 -0.389) 2.339 8.255 ( -6.761 0.655 0.221) 6.796 8.306 ( 0.340 0.729 -5.661) 5.718 8.425 ( 1.831 -0.224 -1.956) 2.689 9.993 ( -1.416 0.899 -0.294) 1.702 10.056 ( 1.729 -0.641 -0.343) 1.875 10.166 ( 3.517 0.876 1.046) 3.772 10.243 ( 0.772 -0.883 0.139) 1.181 10.593 ( 1.766 1.998 0.443) 2.703 10.737 ( 1.083 1.258 0.081) 1.662 10.795 ( 1.132 -2.294 -0.599) 2.627 10.827 ( 1.227 -1.105 -0.105) 1.655 11.512 ( -0.395 0.774 -0.520) 1.013 11.593 ( 0.117 2.072 0.099) 2.077 11.637 ( -1.082 -2.240 -0.857) 2.631 11.700 ( -0.598 -0.002 0.747) 0.957 14.709 ( -0.188 -0.906 -0.970) 1.341 14.797 ( 0.596 2.332 0.151) 2.412 14.812 ( 0.134 -2.369 0.306) 2.392 14.915 ( 1.306 0.626 1.017) 1.770 15.272 ( 0.550 -0.484 0.080) 0.737 15.334 ( -0.196 -3.195 0.286) 3.214 15.387 ( -0.273 1.341 -0.389) 1.423 15.444 ( -0.842 1.008 0.174) 1.325 17.452 ( 1.091 0.312 0.237) 1.159 17.464 ( 1.692 0.403 0.125) 1.744 17.520 ( -0.794 -0.733 1.223) 1.632 17.570 ( 2.152 -2.071 -0.016) 2.987 18.642 ( 0.566 2.331 1.185) 2.675 18.658 ( 0.763 2.813 1.534) 3.294 18.860 ( -2.746 -1.702 -1.531) 3.575 18.959 ( -2.474 -2.810 0.103) 3.745 27.782 ( -1.071 0.261 -1.051) 1.522 27.824 ( -0.143 -0.783 -0.092) 0.801 27.887 ( 0.946 0.844 -0.154) 1.277 27.950 ( -1.823 -0.718 -0.017) 1.959 29.251 ( -0.517 2.965 -1.126) 3.214 29.367 ( 1.192 6.702 1.774) 7.034 29.451 ( -2.513 0.260 -3.964) 4.701 29.784 ( -3.428 -2.005 1.863) 4.387 30.615 ( 0.707 -2.509 -0.244) 2.618 30.863 ( 0.588 4.538 2.752) 5.340 30.960 ( 1.212 -6.118 -1.252) 6.362 31.179 ( 2.118 0.943 0.835) 2.465 32.207 ( 7.369 1.166 -5.811) 9.457 32.393 ( -1.507 -3.856 -2.447) 4.809 32.542 ( -3.044 4.260 -0.232) 5.241 32.875 ( 4.870 -4.320 4.276) 7.789 ======================= Grid point 19 (14/129) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.779 ( 0.000 4.230 0.000) 4.230 1.835 ( 0.000 7.413 -0.000) 7.413 2.024 ( 0.000 2.588 -0.000) 2.588 2.116 ( 0.000 15.871 0.000) 15.871 2.243 ( 0.000 -1.909 0.000) 1.909 2.319 ( 0.000 -0.066 -0.000) 0.066 2.381 ( 0.000 3.859 0.000) 3.859 2.544 ( 0.000 1.182 0.000) 1.182 2.757 ( 0.000 -1.118 0.000) 1.118 3.077 ( 0.000 -1.598 -0.000) 1.598 3.190 ( 0.000 0.719 0.000) 0.719 3.437 ( 0.000 6.191 0.000) 6.191 3.481 ( 0.000 2.217 0.000) 2.217 3.496 ( 0.000 -4.022 0.000) 4.022 3.718 ( -0.000 -11.133 0.000) 11.133 3.719 ( 0.000 1.799 -0.000) 1.799 3.966 ( 0.000 -5.243 0.000) 5.243 4.186 ( 0.000 3.528 0.000) 3.528 4.224 ( 0.000 -8.841 0.000) 8.841 4.400 ( 0.000 8.531 0.000) 8.531 4.449 ( 0.000 -6.345 0.000) 6.345 4.686 ( 0.000 7.010 0.000) 7.010 4.880 ( 0.000 -1.365 0.000) 1.365 5.181 ( 0.000 -6.892 0.000) 6.892 5.380 ( 0.000 -11.932 0.000) 11.932 5.444 ( 0.000 -5.537 0.000) 5.537 5.633 ( 0.000 9.200 0.000) 9.200 5.867 ( 0.000 6.807 0.000) 6.807 6.074 ( 0.000 -2.960 0.000) 2.960 6.126 ( 0.000 -2.517 0.000) 2.517 6.474 ( 0.000 2.188 0.000) 2.188 6.512 ( -0.000 1.828 0.000) 1.828 6.580 ( 0.000 -1.001 -0.000) 1.001 6.639 ( 0.000 0.583 0.000) 0.583 6.807 ( 0.000 6.217 0.000) 6.217 7.130 ( 0.000 -2.617 0.000) 2.617 8.144 ( 0.000 -2.146 0.000) 2.146 8.163 ( -0.000 -1.695 -0.000) 1.695 8.298 ( 0.000 3.986 -0.000) 3.986 8.429 ( 0.000 -0.008 0.000) 0.008 9.976 ( 0.000 1.379 0.000) 1.379 10.070 ( 0.000 -0.827 0.000) 0.827 10.203 ( 0.000 0.520 0.000) 0.520 10.249 ( 0.000 -0.578 0.000) 0.578 10.610 ( 0.000 1.993 0.000) 1.993 10.747 ( 0.000 1.006 0.000) 1.006 10.798 ( 0.000 -1.890 0.000) 1.890 10.838 ( 0.000 -1.461 0.000) 1.461 11.506 ( 0.000 0.494 0.000) 0.494 11.596 ( 0.000 2.272 0.000) 2.272 11.623 ( 0.000 -2.403 0.000) 2.403 11.699 ( 0.000 0.110 0.000) 0.110 14.702 ( 0.000 -1.045 0.000) 1.045 14.804 ( -0.000 3.486 0.000) 3.486 14.814 ( 0.000 -3.316 0.000) 3.316 14.934 ( 0.000 0.469 0.000) 0.469 15.276 ( 0.000 -0.493 0.000) 0.493 15.334 ( 0.000 -3.192 0.000) 3.192 15.382 ( 0.000 1.302 0.000) 1.302 15.438 ( 0.000 1.048 0.000) 1.048 17.462 ( 0.000 0.467 0.000) 0.467 17.482 ( 0.000 -0.044 0.000) 0.044 17.518 ( 0.000 -0.399 0.000) 0.399 17.588 ( 0.000 -2.048 0.000) 2.048 18.651 ( 0.000 3.173 0.000) 3.173 18.679 ( 0.000 2.206 0.000) 2.206 18.827 ( 0.000 -1.737 0.000) 1.737 18.937 ( 0.000 -2.849 0.000) 2.849 27.765 ( 0.000 0.646 0.000) 0.646 27.823 ( 0.000 -0.652 0.000) 0.652 27.902 ( 0.000 0.187 0.000) 0.187 27.927 ( 0.000 -0.477 0.000) 0.477 29.240 ( 0.000 2.785 0.000) 2.785 29.394 ( -0.000 7.908 -0.000) 7.908 29.403 ( 0.000 -0.761 0.000) 0.761 29.765 ( 0.000 -1.529 0.000) 1.529 30.619 ( 0.000 -2.613 0.000) 2.613 30.887 ( 0.000 8.109 -0.000) 8.109 30.956 ( 0.000 -10.034 0.000) 10.034 31.202 ( 0.000 1.102 0.000) 1.102 32.249 ( 0.000 -0.319 0.000) 0.319 32.331 ( 0.000 -1.957 0.000) 1.957 32.534 ( 0.000 4.412 -0.000) 4.412 32.942 ( 0.000 -5.203 -0.000) 5.203 ======================= Grid point 26 (15/129) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 23.097 0.000) 23.097 1.188 ( 0.000 28.733 0.000) 28.733 1.384 ( 0.000 -20.584 0.000) 20.584 1.721 ( 0.000 -18.439 0.000) 18.439 1.911 ( 0.000 28.962 0.000) 28.962 2.282 ( 0.000 -5.213 0.000) 5.213 2.441 ( 0.000 10.261 0.000) 10.261 2.614 ( 0.000 5.774 0.000) 5.774 2.725 ( 0.000 -7.989 0.000) 7.989 2.866 ( 0.000 -26.198 0.000) 26.198 2.894 ( 0.000 15.578 0.000) 15.578 3.185 ( 0.000 -12.407 0.000) 12.407 3.555 ( 0.000 5.371 0.000) 5.371 3.701 ( 0.000 -9.148 0.000) 9.148 3.832 ( 0.000 9.708 0.000) 9.708 3.966 ( 0.000 -4.572 0.000) 4.572 4.169 ( 0.000 9.058 0.000) 9.058 4.227 ( 0.000 9.834 0.000) 9.834 4.316 ( 0.000 -5.372 0.000) 5.372 4.350 ( 0.000 -0.954 0.000) 0.954 4.487 ( 0.000 0.539 0.000) 0.539 4.617 ( 0.000 -11.736 0.000) 11.736 4.898 ( 0.000 8.576 0.000) 8.576 4.952 ( 0.000 12.267 0.000) 12.267 5.023 ( 0.000 -5.036 0.000) 5.036 5.228 ( 0.000 -12.677 0.000) 12.677 5.547 ( 0.000 1.785 0.000) 1.785 5.583 ( 0.000 -0.883 0.000) 0.883 6.279 ( 0.000 0.549 0.000) 0.549 6.292 ( 0.000 -1.124 0.000) 1.124 6.372 ( 0.000 4.382 0.000) 4.382 6.456 ( 0.000 -3.713 0.000) 3.713 7.049 ( 0.000 1.109 0.000) 1.109 7.092 ( 0.000 -2.715 0.000) 2.715 7.368 ( 0.000 5.874 0.000) 5.874 7.492 ( 0.000 -6.385 0.000) 6.385 8.146 ( 0.000 2.013 0.000) 2.013 8.180 ( 0.000 -1.416 0.000) 1.416 8.363 ( 0.000 3.054 0.000) 3.054 8.426 ( 0.000 -3.098 0.000) 3.098 9.729 ( 0.000 0.333 0.000) 0.333 9.737 ( 0.000 -0.449 0.000) 0.449 10.012 ( 0.000 1.442 0.000) 1.442 10.039 ( 0.000 -1.127 0.000) 1.127 10.463 ( 0.000 2.737 0.000) 2.737 10.518 ( 0.000 -2.513 0.000) 2.513 10.601 ( 0.000 1.522 0.000) 1.522 10.637 ( 0.000 -2.027 0.000) 2.027 11.644 ( 0.000 2.031 0.000) 2.031 11.680 ( 0.000 -1.410 0.000) 1.410 12.000 ( 0.000 2.428 0.000) 2.428 12.060 ( 0.000 -3.234 0.000) 3.234 14.758 ( 0.000 2.130 0.000) 2.130 14.805 ( 0.000 -2.555 0.000) 2.555 14.931 ( 0.000 0.188 0.000) 0.188 14.934 ( 0.000 0.013 0.000) 0.013 15.175 ( 0.000 4.155 0.000) 4.155 15.265 ( 0.000 -4.690 0.000) 4.690 15.458 ( 0.000 0.352 0.000) 0.352 15.462 ( 0.000 0.088 0.000) 0.088 17.333 ( 0.000 1.042 0.000) 1.042 17.358 ( 0.000 -1.422 0.000) 1.422 17.492 ( 0.000 1.144 0.000) 1.144 17.512 ( 0.000 -0.822 0.000) 0.822 18.654 ( 0.000 -0.341 0.000) 0.341 18.655 ( 0.000 -0.306 0.000) 0.306 18.959 ( 0.000 5.890 0.000) 5.890 19.069 ( 0.000 -4.895 0.000) 4.895 27.879 ( 0.000 0.362 0.000) 0.362 27.889 ( 0.000 -0.608 0.000) 0.608 27.896 ( 0.000 1.259 0.000) 1.259 27.920 ( 0.000 -1.074 0.000) 1.074 29.130 ( 0.000 2.004 0.000) 2.004 29.156 ( 0.000 -0.524 0.000) 0.524 30.225 ( 0.000 -0.437 0.000) 0.437 30.228 ( 0.000 -0.500 0.000) 0.500 30.361 ( 0.000 2.606 0.000) 2.606 30.412 ( 0.000 -2.117 0.000) 2.117 30.611 ( 0.000 -0.840 0.000) 0.840 30.617 ( 0.000 -1.273 0.000) 1.273 31.202 ( 0.000 12.763 0.000) 12.763 31.455 ( 0.000 -12.020 0.000) 12.020 33.528 ( 0.000 4.762 0.000) 4.762 33.618 ( 0.000 -4.040 0.000) 4.040 ======================= Grid point 27 (16/129) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 5.161 19.317 8.063) 21.560 1.164 ( 2.928 18.317 0.039) 18.550 1.561 ( 12.411 -12.845 4.228) 18.355 1.729 ( 4.085 -15.877 -1.893) 16.503 2.075 ( 8.420 23.004 13.206) 27.829 2.332 ( 5.049 -3.384 2.773) 6.681 2.468 ( 4.102 12.063 1.691) 12.853 2.595 ( 0.895 7.163 -1.968) 7.482 2.757 ( 0.133 -7.801 2.154) 8.094 2.843 ( -1.990 -9.344 9.831) 13.709 3.054 ( 10.379 -1.303 3.202) 10.940 3.230 ( 2.799 -9.586 3.942) 10.736 3.492 ( -3.582 5.009 -5.948) 8.561 3.614 ( -4.769 -5.993 -5.901) 9.668 3.851 ( -0.709 7.821 2.015) 8.107 3.945 ( -4.920 0.386 -0.906) 5.017 4.053 ( -6.475 3.084 -13.184) 15.009 4.088 ( -1.452 -3.537 -6.308) 7.376 4.261 ( -4.410 -0.237 -2.789) 5.223 4.309 ( -3.023 -3.616 0.039) 4.713 4.506 ( -4.609 8.363 3.584) 10.199 4.660 ( -1.412 -5.683 4.065) 7.129 4.829 ( -11.176 7.403 3.999) 13.989 4.955 ( -7.000 -2.949 9.404) 12.089 5.063 ( 4.054 3.677 3.134) 6.307 5.266 ( 1.219 -11.423 4.223) 12.240 5.524 ( -0.491 0.756 -1.855) 2.062 5.550 ( -1.667 -0.979 -1.691) 2.568 6.182 ( -6.304 3.274 -2.399) 7.497 6.238 ( -3.305 -1.341 -1.439) 3.846 6.424 ( 5.061 1.005 -2.931) 5.935 6.464 ( 1.446 -2.495 -1.668) 3.331 7.012 ( -0.251 0.789 -5.579) 5.640 7.036 ( -1.240 -0.186 -5.669) 5.806 7.334 ( -1.892 5.210 -3.954) 6.808 7.428 ( -1.418 -3.421 -8.041) 8.852 8.193 ( 4.502 4.010 0.686) 6.068 8.232 ( 5.725 0.886 -2.264) 6.220 8.361 ( 0.596 3.639 -0.827) 3.779 8.511 ( 9.832 -10.331 -2.719) 14.519 9.767 ( 3.355 0.877 1.663) 3.846 9.787 ( 3.324 -0.928 2.877) 4.493 10.041 ( 0.589 0.232 2.855) 2.924 10.059 ( 0.430 -1.294 2.966) 3.264 10.473 ( 1.191 3.233 0.047) 3.445 10.539 ( 1.968 -3.135 0.523) 3.738 10.631 ( 3.694 1.075 -0.391) 3.867 10.656 ( 2.841 -1.394 -0.741) 3.251 11.639 ( -0.578 1.999 -0.010) 2.081 11.673 ( -0.873 -1.190 0.049) 1.477 11.947 ( -3.509 1.086 -4.258) 5.624 11.960 ( -7.001 0.450 -4.463) 8.314 14.763 ( 0.443 1.079 0.043) 1.167 14.798 ( -0.672 -2.246 0.352) 2.370 14.908 ( -1.675 0.449 -1.852) 2.538 14.913 ( -1.433 -0.136 -1.071) 1.794 15.192 ( 0.748 3.483 1.420) 3.835 15.267 ( -0.255 -3.689 0.649) 3.754 15.457 ( 0.124 0.758 -0.729) 1.059 15.463 ( 0.630 0.085 -0.343) 0.722 17.341 ( 0.413 1.022 0.677) 1.294 17.365 ( 0.565 -1.364 0.447) 1.543 17.458 ( -1.857 1.966 -1.644) 3.165 17.494 ( -1.323 -1.518 -0.689) 2.128 18.617 ( -1.269 3.561 -0.765) 3.857 18.684 ( -0.028 -3.399 1.433) 3.689 18.960 ( -1.977 4.256 3.147) 5.650 19.055 ( -2.190 -4.632 0.840) 5.193 27.852 ( -0.676 0.059 -1.999) 2.111 27.855 ( -0.770 -0.361 -1.628) 1.837 27.919 ( -0.282 1.019 2.004) 2.266 27.942 ( -0.267 -1.154 2.393) 2.670 29.177 ( 3.033 4.017 3.598) 6.187 29.250 ( 4.418 -3.208 6.420) 8.428 30.047 ( -16.439 2.395 3.619) 17.002 30.101 ( -10.924 -2.780 -2.157) 11.477 30.397 ( 4.549 1.723 0.509) 4.891 30.436 ( 3.903 -2.226 -0.383) 4.510 30.773 ( 13.587 0.027 -2.736) 13.860 30.794 ( 14.553 -1.950 -1.284) 14.739 31.317 ( 14.230 8.273 1.256) 16.508 31.520 ( 6.442 -10.693 3.381) 12.934 33.405 ( -10.252 6.136 -7.013) 13.854 33.481 ( -10.001 -1.588 -5.976) 11.758 ======================= Grid point 28 (17/129) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 11.261 11.779 13.623) 21.240 1.334 ( 14.253 10.095 4.387) 18.008 1.771 ( 5.824 -9.019 5.827) 12.216 1.833 ( 8.163 -9.611 2.452) 12.846 2.302 ( 5.927 12.554 6.027) 15.134 2.517 ( 9.847 -5.145 6.644) 12.945 2.568 ( 3.969 7.239 -4.416) 9.362 2.741 ( -1.194 -9.873 -0.736) 9.972 2.767 ( 14.091 16.529 16.235) 27.117 3.022 ( 4.496 -2.027 12.383) 13.329 3.197 ( 2.735 12.463 -5.056) 13.725 3.299 ( -4.527 0.991 -1.531) 4.881 3.354 ( -1.242 -5.882 2.856) 6.656 3.514 ( 0.986 -13.963 -1.158) 14.045 3.722 ( -9.746 1.106 -9.541) 13.684 3.766 ( -6.717 -3.702 -10.841) 13.280 3.907 ( 1.412 7.172 1.127) 7.396 4.089 ( 1.643 -8.556 0.519) 8.728 4.202 ( 0.411 1.297 -1.432) 1.976 4.246 ( -4.792 -2.190 0.957) 5.355 4.381 ( -10.438 10.431 -0.770) 14.777 4.505 ( -15.913 -0.097 -1.060) 15.949 4.807 ( -2.515 1.852 7.633) 8.248 4.925 ( -6.932 -8.962 6.687) 13.156 5.182 ( 0.991 4.590 7.709) 9.026 5.339 ( 0.309 -9.305 6.084) 11.122 5.504 ( -0.568 0.089 -0.733) 0.931 5.532 ( 0.414 -1.760 0.756) 1.960 6.088 ( -2.301 6.314 -1.472) 6.880 6.181 ( -2.246 -1.902 -0.541) 2.992 6.444 ( 2.274 -1.042 -5.053) 5.639 6.462 ( 3.558 -2.423 -3.820) 5.755 6.934 ( 0.144 1.382 -7.286) 7.417 6.953 ( -2.136 0.215 -4.457) 4.947 7.219 ( -3.304 5.421 -8.182) 10.356 7.293 ( -2.032 -1.103 -10.479) 10.731 8.244 ( 3.009 3.361 -1.020) 4.625 8.307 ( 5.744 -0.267 -2.921) 6.449 8.369 ( 1.695 7.425 -1.422) 7.748 8.590 ( 5.985 -11.929 -7.245) 15.186 9.857 ( 4.756 1.221 2.195) 5.378 9.878 ( 3.766 -0.489 2.458) 4.523 10.076 ( 0.364 0.315 2.058) 2.114 10.104 ( 0.441 -2.613 3.022) 4.019 10.503 ( 2.504 3.827 0.133) 4.575 10.584 ( 2.790 -3.969 0.566) 4.885 10.689 ( 4.155 1.071 -1.292) 4.481 10.707 ( 4.400 -0.722 -0.870) 4.543 11.629 ( -0.682 2.021 0.283) 2.152 11.658 ( -1.059 -0.469 0.219) 1.179 11.788 ( -6.319 3.191 -4.370) 8.319 11.833 ( -4.698 -1.570 -4.350) 6.592 14.769 ( 0.231 0.942 0.229) 0.997 14.802 ( 0.251 -2.317 0.433) 2.370 14.850 ( -2.304 1.014 -2.155) 3.313 14.869 ( -2.039 -0.810 -1.384) 2.594 15.219 ( 0.751 2.301 1.067) 2.646 15.271 ( -0.105 -2.538 0.536) 2.596 15.450 ( -0.015 1.531 -0.588) 1.640 15.469 ( 0.238 -0.325 0.044) 0.405 17.360 ( 0.845 0.894 0.981) 1.573 17.385 ( 1.046 -1.372 0.705) 1.863 17.429 ( 0.120 1.747 -0.597) 1.850 17.472 ( -0.535 -2.130 -0.116) 2.199 18.603 ( -0.490 4.946 0.734) 5.025 18.688 ( -0.521 -3.201 0.387) 3.266 18.964 ( -2.559 1.350 3.631) 4.643 19.022 ( -3.122 -3.710 1.074) 4.967 27.826 ( -0.248 0.121 -1.133) 1.166 27.835 ( -0.451 -0.764 -0.552) 1.045 27.930 ( -0.559 1.300 1.233) 1.877 27.957 ( -0.591 -1.315 1.605) 2.158 29.277 ( 3.142 6.113 4.332) 8.124 29.372 ( 2.829 -2.546 3.678) 5.292 29.860 ( -11.912 0.265 3.456) 12.406 29.904 ( -9.958 -3.260 -1.992) 10.665 30.493 ( 5.702 1.181 0.598) 5.853 30.525 ( 6.032 -1.694 1.516) 6.446 30.891 ( 5.818 3.237 -2.070) 6.972 30.950 ( 8.492 -2.948 -3.413) 9.615 31.635 ( 21.794 1.586 -0.128) 21.852 31.743 ( 14.766 -7.726 4.994) 17.398 33.113 ( -13.126 9.135 -8.129) 17.940 33.222 ( -12.753 -2.539 -6.906) 14.724 ======================= Grid point 29 (18/129) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 11.373 7.161 10.943) 17.331 1.685 ( 19.202 9.614 7.995) 22.915 1.887 ( 1.056 -4.518 6.524) 8.006 2.037 ( 12.376 -10.503 3.994) 16.716 2.409 ( -0.107 13.376 3.070) 13.724 2.600 ( 7.315 2.942 -5.317) 9.510 2.687 ( -6.883 -6.868 4.516) 10.721 2.760 ( 6.040 -4.557 9.534) 12.171 2.947 ( -4.638 7.270 -11.308) 14.221 3.051 ( -2.023 3.397 -4.617) 6.078 3.216 ( 2.872 7.971 3.466) 9.154 3.297 ( 0.521 6.264 2.435) 6.740 3.333 ( -6.791 -1.851 1.239) 7.147 3.476 ( -0.456 0.990 3.028) 3.218 3.586 ( -0.790 -10.985 -4.662) 11.960 3.662 ( 1.598 -8.635 0.999) 8.839 3.960 ( 2.430 6.723 2.079) 7.445 4.105 ( -4.887 -3.827 3.100) 6.938 4.121 ( -7.385 3.458 1.080) 8.226 4.245 ( -6.194 -1.338 -2.740) 6.904 4.301 ( 4.219 -0.140 5.569) 6.989 4.355 ( 7.369 -1.461 2.335) 7.867 4.839 ( -2.620 -0.104 5.142) 5.772 4.906 ( -2.729 -6.609 4.088) 8.236 5.235 ( -2.713 4.934 4.833) 7.421 5.391 ( -1.799 -9.581 2.690) 10.113 5.504 ( 0.790 2.421 2.086) 3.292 5.573 ( 0.599 -4.528 5.880) 7.446 6.064 ( -1.731 6.989 0.625) 7.227 6.140 ( -2.690 -0.056 -0.017) 2.690 6.414 ( 3.861 1.839 -6.752) 7.993 6.507 ( 7.520 -6.180 -3.653) 10.397 6.858 ( -1.892 0.464 -3.776) 4.249 6.865 ( -4.711 0.748 -1.298) 4.944 7.068 ( -2.044 5.480 -10.497) 12.017 7.136 ( -1.846 -0.710 -11.618) 11.785 8.283 ( 2.838 3.157 -0.319) 4.257 8.344 ( 4.759 -0.016 -5.410) 7.205 8.359 ( -1.503 5.574 -0.682) 5.813 8.540 ( -0.579 -9.016 -8.715) 12.553 9.953 ( 3.439 0.550 1.261) 3.703 9.956 ( 4.219 0.318 1.548) 4.505 10.100 ( 0.545 1.090 1.160) 1.682 10.140 ( 1.249 -2.847 1.423) 3.420 10.553 ( 3.277 4.025 0.303) 5.199 10.638 ( 3.155 -4.233 0.574) 5.310 10.730 ( 3.008 1.883 -1.538) 3.868 10.760 ( 3.421 -1.160 -1.255) 3.824 11.620 ( -1.452 2.668 -0.052) 3.038 11.641 ( -0.524 1.688 -0.973) 2.018 11.681 ( -3.436 0.052 -0.208) 3.443 11.722 ( -3.264 -2.691 -3.295) 5.362 14.774 ( -0.642 0.433 -1.515) 1.702 14.784 ( -0.105 0.224 -1.584) 1.604 14.811 ( -0.938 0.577 -0.040) 1.102 14.846 ( -0.179 -1.920 1.548) 2.473 15.239 ( 0.832 1.242 0.406) 1.549 15.275 ( 0.177 -2.183 0.177) 2.197 15.442 ( -0.372 1.827 -0.317) 1.891 15.468 ( -0.538 -0.669 0.252) 0.895 17.391 ( 1.627 0.737 1.008) 2.051 17.415 ( 1.556 -1.096 0.835) 2.079 17.444 ( 1.658 0.715 0.222) 1.819 17.476 ( 0.511 -1.820 0.583) 1.979 18.618 ( 0.515 4.502 1.779) 4.868 18.684 ( -0.336 -1.481 0.445) 1.582 18.951 ( -3.309 -0.578 1.937) 3.877 18.980 ( -3.435 -2.765 0.893) 4.499 27.815 ( -0.114 0.145 -0.572) 0.601 27.824 ( -0.350 -0.715 -0.422) 0.901 27.930 ( -0.775 1.516 0.526) 1.782 27.960 ( -0.808 -1.438 0.878) 1.869 29.358 ( 2.056 6.190 1.970) 6.813 29.418 ( 0.889 1.205 -0.126) 1.503 29.714 ( -7.486 -0.020 -2.485) 7.887 29.774 ( -8.221 -5.145 5.021) 10.921 30.571 ( 3.589 2.200 -0.160) 4.213 30.639 ( 4.748 -3.976 2.239) 6.585 30.951 ( 4.229 4.351 -0.725) 6.110 31.023 ( 5.671 -3.085 -2.167) 6.810 31.953 ( 19.191 1.811 -2.362) 19.420 32.048 ( 15.910 -6.752 3.219) 17.581 32.847 ( -10.279 7.198 -4.777) 13.427 32.944 ( -12.130 -2.675 -6.028) 13.807 ======================= Grid point 30 (19/129) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 2.917 5.051 7.753) 9.702 1.959 ( -0.953 -3.204 6.116) 6.970 2.013 ( 11.519 9.603 2.447) 15.195 2.210 ( 0.383 -7.360 -0.308) 7.377 2.429 ( 4.089 9.920 0.652) 10.749 2.557 ( -9.522 3.661 -0.220) 10.204 2.677 ( 5.040 -1.446 -2.231) 5.698 2.757 ( -8.637 3.184 1.179) 9.280 2.856 ( 1.413 0.774 -6.780) 6.969 2.966 ( -7.164 1.648 -8.182) 10.999 3.071 ( 3.746 -0.475 -1.617) 4.108 3.216 ( -2.714 -6.784 -0.420) 7.319 3.456 ( -2.610 2.732 1.870) 4.216 3.509 ( 1.236 9.254 9.038) 12.994 3.599 ( -0.150 -8.273 3.257) 8.893 3.693 ( 0.943 -6.467 -0.226) 6.539 3.936 ( -5.894 5.877 0.477) 8.337 4.062 ( -2.262 -1.137 6.495) 6.971 4.111 ( 2.922 -1.446 -2.113) 3.885 4.216 ( 2.416 -6.249 1.527) 6.872 4.476 ( 7.041 8.067 7.511) 13.080 4.619 ( 13.312 -3.686 6.305) 15.184 4.857 ( -0.675 -0.983 3.271) 3.482 4.912 ( -0.894 -4.035 0.974) 4.246 5.246 ( 0.127 1.297 2.294) 2.638 5.339 ( -3.017 -6.887 -3.026) 8.105 5.578 ( 1.847 4.441 7.304) 8.746 5.694 ( 2.151 -6.925 10.960) 13.141 6.008 ( -3.274 5.939 -1.982) 7.066 6.099 ( -3.020 -2.531 0.185) 3.944 6.456 ( 9.402 7.333 -5.184) 13.002 6.589 ( 5.302 -4.942 -3.372) 7.994 6.771 ( -7.225 2.285 2.250) 7.905 6.820 ( -1.074 -2.710 1.653) 3.351 6.927 ( -0.284 4.010 -10.704) 11.434 6.982 ( -0.451 -1.120 -11.053) 11.119 8.276 ( -2.968 4.826 -5.040) 7.583 8.326 ( 1.599 3.429 1.082) 3.935 8.363 ( -0.603 -3.296 -3.218) 4.645 8.407 ( -1.763 -4.705 -6.147) 7.939 10.003 ( 1.886 0.732 0.304) 2.046 10.019 ( 1.825 -0.846 0.234) 2.025 10.133 ( 2.686 2.244 0.707) 3.570 10.180 ( 2.164 -2.409 0.739) 3.321 10.609 ( 2.992 3.949 0.413) 4.972 10.693 ( 2.710 -4.162 0.528) 4.994 10.754 ( 1.954 1.925 -1.140) 2.970 10.788 ( 1.867 -1.434 -1.116) 2.605 11.574 ( -1.831 2.637 -1.537) 3.559 11.627 ( -2.561 -2.453 -1.346) 3.793 11.638 ( 0.090 2.363 0.293) 2.383 11.683 ( -0.612 -1.809 0.640) 2.014 14.734 ( -0.732 0.781 -1.957) 2.231 14.761 ( -0.370 -1.973 -1.455) 2.479 14.830 ( 1.012 2.490 1.676) 3.168 14.873 ( 0.813 -1.567 1.888) 2.585 15.255 ( 0.824 0.470 0.005) 0.948 15.280 ( 0.295 -2.010 -0.105) 2.034 15.431 ( -0.603 1.783 -0.267) 1.901 15.459 ( -0.942 -0.782 0.194) 1.240 17.431 ( 1.801 0.822 1.014) 2.224 17.448 ( 1.378 0.054 0.741) 1.565 17.480 ( 2.005 -0.837 0.561) 2.244 17.495 ( 1.117 -1.440 0.437) 1.874 18.655 ( 1.145 3.347 2.234) 4.184 18.692 ( 0.196 0.421 1.233) 1.317 18.899 ( -3.824 -0.414 -0.501) 3.879 18.935 ( -3.395 -3.260 0.509) 4.734 27.805 ( -0.348 0.141 -0.589) 0.699 27.814 ( -0.279 -0.671 -0.439) 0.849 27.919 ( -0.828 1.651 -0.022) 1.847 27.950 ( -1.141 -1.462 0.264) 1.873 29.366 ( -0.281 4.911 -2.471) 5.505 29.426 ( 0.513 0.563 -0.943) 1.212 29.595 ( -4.591 4.970 -0.380) 6.776 29.728 ( -4.810 -6.524 4.584) 9.312 30.607 ( 1.624 3.071 -0.468) 3.505 30.713 ( 2.059 -6.820 1.379) 7.256 31.008 ( 3.057 5.383 0.005) 6.190 31.093 ( 4.291 -3.000 0.115) 5.237 32.173 ( 13.149 3.511 -5.516) 14.685 32.272 ( 9.211 -5.774 -1.036) 10.920 32.696 ( -5.377 2.721 -1.262) 6.157 32.743 ( -5.695 -1.672 -0.245) 5.941 ======================= Grid point 31 (20/129) ======================= q-point: ( 0.42 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -3.040 5.893 3.989) 7.738 1.990 ( -1.915 -0.911 3.684) 4.251 2.064 ( -1.890 1.846 -2.670) 3.756 2.159 ( -3.949 -5.143 3.357) 7.302 2.341 ( -8.633 9.036 -6.598) 14.132 2.476 ( -2.530 3.538 -5.793) 7.244 2.595 ( -2.956 1.054 -3.751) 4.890 2.703 ( -2.427 9.028 -3.449) 9.965 2.824 ( 5.828 1.068 2.011) 6.257 2.948 ( 4.971 10.009 -0.629) 11.193 3.146 ( 2.458 -5.662 1.284) 6.305 3.215 ( 2.971 -17.521 0.348) 17.775 3.450 ( 1.014 5.701 -0.363) 5.802 3.586 ( -2.595 -6.358 1.522) 7.034 3.598 ( -3.849 4.531 7.154) 9.302 3.724 ( 1.163 -4.023 5.459) 6.880 3.889 ( 0.042 5.320 -2.588) 5.916 4.060 ( -1.566 -8.966 0.678) 9.127 4.180 ( 3.064 2.946 1.887) 4.651 4.281 ( 2.061 -7.028 2.098) 7.619 4.628 ( 3.826 14.371 3.326) 15.239 4.810 ( 2.137 5.072 3.435) 6.488 4.886 ( -0.246 -0.995 0.032) 1.025 4.924 ( 4.085 -10.475 1.179) 11.305 5.254 ( -2.075 -4.298 -3.383) 5.850 5.280 ( 0.557 -6.424 0.757) 6.492 5.730 ( 3.989 6.852 9.001) 11.995 5.851 ( 2.475 -4.681 7.151) 8.898 5.973 ( 1.455 3.438 1.461) 4.009 6.060 ( -1.392 -4.269 0.324) 4.502 6.522 ( 4.607 4.819 -5.327) 8.534 6.580 ( -1.003 -1.407 -1.902) 2.569 6.667 ( -7.354 4.932 -0.386) 8.863 6.747 ( -3.757 -2.177 -8.665) 9.692 6.879 ( 4.456 5.020 -1.212) 6.821 6.987 ( 5.985 -5.332 0.991) 8.076 8.167 ( -3.849 1.668 -3.195) 5.273 8.216 ( -5.828 -2.896 -4.956) 8.180 8.360 ( 1.283 3.106 0.355) 3.379 8.408 ( 1.543 -1.594 -0.559) 2.288 10.015 ( -0.104 1.225 -0.304) 1.266 10.038 ( 1.098 -1.060 -0.321) 1.560 10.189 ( 2.669 1.410 0.657) 3.089 10.219 ( 1.626 -1.457 0.326) 2.207 10.651 ( 1.716 3.735 0.286) 4.120 10.731 ( 1.364 -3.868 0.225) 4.108 10.768 ( 1.007 1.631 -0.583) 2.004 10.800 ( 0.891 -1.547 -0.472) 1.847 11.540 ( -0.847 1.944 -0.815) 2.272 11.585 ( -1.167 -2.495 -0.769) 2.859 11.643 ( 0.082 2.444 0.267) 2.460 11.685 ( -0.259 -1.515 0.634) 1.662 14.710 ( -0.198 1.035 -1.005) 1.457 14.749 ( 0.104 -2.712 -0.574) 2.774 14.861 ( 0.694 2.934 1.087) 3.205 14.907 ( 0.907 -1.464 1.316) 2.167 15.265 ( 0.525 0.054 -0.115) 0.540 15.282 ( 0.220 -1.776 -0.169) 1.797 15.419 ( -0.515 1.700 -0.191) 1.786 15.446 ( -0.718 -0.789 0.060) 1.068 17.464 ( 0.857 0.816 0.770) 1.412 17.473 ( 0.913 0.234 0.263) 0.978 17.506 ( 0.509 -0.307 0.677) 0.901 17.525 ( 1.908 -2.011 0.020) 2.772 18.696 ( 0.973 2.807 1.689) 3.418 18.720 ( 0.937 1.810 2.006) 2.860 18.830 ( -3.072 -0.055 -1.648) 3.487 18.885 ( -2.593 -4.181 -0.411) 4.937 27.791 ( -0.496 0.636 -0.579) 0.993 27.807 ( -0.086 -0.903 -0.220) 0.933 27.908 ( -0.256 1.166 -0.157) 1.204 27.931 ( -1.228 -1.127 -0.114) 1.670 29.328 ( -0.711 4.163 -1.890) 4.627 29.397 ( -0.768 -2.385 -2.521) 3.554 29.566 ( -1.074 8.741 1.847) 8.998 29.712 ( -2.186 -5.445 2.229) 6.277 30.620 ( 0.633 3.341 -0.329) 3.416 30.745 ( 0.783 -8.578 0.580) 8.633 31.041 ( 1.094 6.825 0.075) 6.912 31.150 ( 1.939 -3.699 0.792) 4.251 32.245 ( 4.683 2.724 -5.024) 7.389 32.313 ( 1.073 -3.926 -3.924) 5.653 32.641 ( -0.836 5.745 1.447) 5.983 32.764 ( 2.289 -6.287 2.974) 7.322 ======================= Grid point 32 (21/129) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.916 ( 0.000 8.492 0.000) 8.492 1.985 ( 0.000 2.491 0.000) 2.491 2.024 ( 0.000 0.152 -0.000) 0.152 2.152 ( 0.000 -7.869 0.000) 7.869 2.219 ( 0.000 3.899 0.000) 3.899 2.364 ( 0.000 -2.979 -0.000) 2.979 2.581 ( 0.000 7.587 0.000) 7.587 2.664 ( 0.000 16.398 0.000) 16.398 2.898 ( 0.000 3.443 0.000) 3.443 2.987 ( 0.000 6.803 0.000) 6.803 3.163 ( 0.000 -4.939 0.000) 4.939 3.267 ( 0.000 -21.702 0.000) 21.702 3.482 ( 0.000 1.499 0.000) 1.499 3.520 ( 0.000 -4.083 -0.000) 4.083 3.626 ( 0.000 7.800 0.000) 7.800 3.804 ( 0.000 -9.558 0.000) 9.558 3.851 ( 0.000 10.095 0.000) 10.095 4.047 ( 0.000 -9.111 0.000) 9.111 4.219 ( 0.000 2.262 0.000) 2.262 4.310 ( 0.000 -6.513 0.000) 6.513 4.676 ( 0.000 16.117 0.000) 16.117 4.834 ( 0.000 6.233 0.000) 6.233 4.879 ( 0.000 0.554 0.000) 0.554 4.978 ( 0.000 -13.192 0.000) 13.192 5.212 ( 0.000 -3.275 0.000) 3.275 5.287 ( 0.000 -8.656 0.000) 8.656 5.812 ( 0.000 7.655 0.000) 7.655 5.912 ( 0.000 -1.841 0.000) 1.841 6.034 ( 0.000 -0.438 0.000) 0.438 6.063 ( 0.000 -3.089 0.000) 3.089 6.521 ( 0.000 2.226 0.000) 2.226 6.554 ( 0.000 -0.867 -0.000) 0.867 6.588 ( 0.000 3.604 0.000) 3.604 6.639 ( 0.000 -1.081 0.000) 1.081 6.936 ( 0.000 6.464 0.000) 6.464 7.053 ( 0.000 -4.986 0.000) 4.986 8.117 ( 0.000 -0.422 0.000) 0.422 8.128 ( -0.000 -1.416 -0.000) 1.416 8.372 ( 0.000 3.189 -0.000) 3.189 8.418 ( 0.000 -1.332 0.000) 1.332 10.011 ( 0.000 1.878 0.000) 1.878 10.046 ( 0.000 -1.541 0.000) 1.541 10.217 ( 0.000 0.791 0.000) 0.791 10.234 ( 0.000 -0.863 0.000) 0.863 10.667 ( 0.000 3.593 0.000) 3.593 10.742 ( 0.000 -3.590 0.000) 3.590 10.773 ( 0.000 1.522 0.000) 1.522 10.805 ( 0.000 -1.707 0.000) 1.707 11.528 ( 0.000 1.745 0.000) 1.745 11.572 ( 0.000 -2.512 0.000) 2.512 11.646 ( 0.000 2.490 0.000) 2.490 11.686 ( 0.000 -1.425 0.000) 1.425 14.703 ( 0.000 1.192 0.000) 1.192 14.747 ( 0.000 -3.056 0.000) 3.056 14.873 ( 0.000 3.217 0.000) 3.217 14.923 ( 0.000 -1.603 0.000) 1.603 15.269 ( 0.000 -0.062 0.000) 0.062 15.283 ( 0.000 -1.651 0.000) 1.651 15.413 ( 0.000 1.675 0.000) 1.675 15.440 ( 0.000 -0.786 0.000) 0.786 17.475 ( 0.000 0.669 0.000) 0.669 17.481 ( 0.000 -0.032 0.000) 0.032 17.514 ( 0.000 0.331 0.000) 0.331 17.541 ( 0.000 -2.202 0.000) 2.202 18.716 ( 0.000 3.174 0.000) 3.174 18.755 ( 0.000 5.109 0.000) 5.109 18.779 ( -0.000 -2.972 -0.000) 2.972 18.858 ( 0.000 -4.828 0.000) 4.828 27.783 ( 0.000 1.079 0.000) 1.079 27.805 ( 0.000 -1.093 0.000) 1.093 27.908 ( 0.000 0.361 0.000) 0.361 27.917 ( 0.000 -0.515 0.000) 0.515 29.311 ( 0.000 3.778 0.000) 3.778 29.374 ( 0.000 -2.310 0.000) 2.310 29.571 ( 0.000 8.693 0.000) 8.693 29.707 ( 0.000 -4.689 0.000) 4.689 30.623 ( 0.000 3.390 0.000) 3.390 30.754 ( 0.000 -9.247 0.000) 9.247 31.049 ( 0.000 7.577 0.000) 7.577 31.170 ( 0.000 -4.120 0.000) 4.120 32.253 ( 0.000 0.902 0.000) 0.902 32.286 ( 0.000 -2.226 0.000) 2.226 32.653 ( 0.000 7.181 0.000) 7.181 32.807 ( 0.000 -7.782 -0.000) 7.782 ======================= Grid point 65 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -2.022 0.000 27.168) 27.243 0.583 ( -2.798 0.000 30.051) 30.181 1.010 ( -1.550 0.000 49.503) 49.527 2.011 ( 2.420 0.000 7.811) 8.178 2.188 ( 0.363 0.000 -6.022) 6.033 2.272 ( 0.459 0.000 5.399) 5.419 2.335 ( -0.770 0.000 -1.762) 1.923 2.474 ( -1.356 0.000 2.000) 2.416 2.528 ( 1.901 0.000 -1.501) 2.422 2.945 ( 3.597 0.000 0.343) 3.614 3.318 ( -3.968 0.000 -9.652) 10.436 3.421 ( -8.872 0.000 -1.161) 8.948 3.527 ( -3.501 0.000 0.792) 3.589 3.629 ( -2.747 0.000 5.906) 6.514 3.678 ( 1.646 0.000 -9.561) 9.701 3.962 ( -4.597 0.000 1.702) 4.902 4.036 ( 6.032 0.000 -10.399) 12.021 4.207 ( -7.701 0.000 13.980) 15.961 4.298 ( -0.551 0.000 3.680) 3.721 4.466 ( 10.002 0.000 6.009) 11.668 4.612 ( -1.616 0.000 2.644) 3.098 4.771 ( -7.773 0.000 5.319) 9.419 4.775 ( 3.392 0.000 1.161) 3.585 4.983 ( 2.260 0.000 1.272) 2.594 5.003 ( 2.466 0.000 1.903) 3.115 5.387 ( 5.330 0.000 -5.359) 7.558 5.616 ( 4.204 0.000 -0.403) 4.223 5.644 ( -8.359 0.000 4.136) 9.327 6.181 ( -2.813 0.000 -5.067) 5.795 6.261 ( 5.973 0.000 -3.115) 6.736 6.292 ( -6.154 0.000 -2.448) 6.623 6.405 ( 2.904 0.000 -0.163) 2.909 6.520 ( -1.447 0.000 -1.302) 1.947 7.067 ( -0.331 0.000 -4.605) 4.617 7.278 ( -25.221 0.000 -3.260) 25.431 7.301 ( -1.521 0.000 -13.932) 14.015 8.072 ( -1.949 0.000 -4.011) 4.459 8.075 ( -0.090 0.000 -0.502) 0.510 8.313 ( 24.053 0.000 -2.576) 24.190 8.366 ( 1.122 0.000 3.540) 3.714 9.739 ( -0.303 0.000 1.600) 1.629 9.775 ( 0.494 0.000 2.193) 2.248 10.103 ( -0.388 0.000 4.751) 4.767 10.311 ( 3.197 0.000 0.167) 3.201 10.551 ( 1.130 0.000 -1.795) 2.120 10.581 ( -1.200 0.000 0.907) 1.504 10.683 ( -0.420 0.000 0.428) 0.599 10.776 ( -4.069 0.000 -1.507) 4.339 11.526 ( -0.022 0.000 0.152) 0.154 11.590 ( 0.118 0.000 -0.453) 0.468 11.872 ( -0.479 0.000 -0.822) 0.952 11.944 ( -0.765 0.000 -1.903) 2.051 14.720 ( 1.809 0.000 0.943) 2.040 14.879 ( -0.664 0.000 -0.450) 0.802 14.908 ( 0.283 0.000 0.377) 0.471 14.926 ( -0.712 0.000 -0.116) 0.722 15.174 ( 0.748 0.000 0.787) 1.086 15.193 ( -0.185 0.000 0.420) 0.459 15.435 ( -0.646 0.000 0.672) 0.932 15.445 ( -0.414 0.000 -0.125) 0.432 17.334 ( 0.260 0.000 0.495) 0.559 17.438 ( 0.455 0.000 -1.061) 1.155 17.521 ( -18.870 0.000 0.667) 18.881 17.529 ( 0.481 0.000 0.032) 0.483 18.473 ( -1.007 0.000 1.388) 1.715 18.766 ( -0.888 0.000 -1.435) 1.687 19.057 ( 13.314 0.000 0.699) 13.332 19.173 ( 0.145 0.000 -0.150) 0.209 27.827 ( 0.311 0.000 -1.985) 2.009 27.889 ( 0.539 0.000 -1.711) 1.793 27.908 ( -0.622 0.000 1.885) 1.985 27.991 ( 3.862 0.000 0.446) 3.888 29.069 ( 0.168 0.000 0.994) 1.008 29.368 ( -0.318 0.000 -2.616) 2.636 29.961 ( 73.613 0.000 1.305) 73.624 30.231 ( -5.800 0.000 -1.423) 5.972 30.316 ( 1.640 0.000 1.679) 2.347 30.601 ( -3.207 0.000 -1.758) 3.657 30.668 ( 5.434 0.000 0.055) 5.434 30.706 ( -1.450 0.000 -1.041) 1.785 31.732 ( 5.686 0.000 -0.167) 5.688 31.960 ( -77.243 0.000 -1.342) 77.254 32.403 ( -0.009 0.000 7.564) 7.564 33.420 ( 2.450 0.000 -5.860) 6.351 ======================= Grid point 66 (23/129) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 9.104 0.000 23.961) 25.632 0.923 ( 3.027 0.000 27.914) 28.078 1.569 ( 8.090 0.000 35.747) 36.652 2.130 ( 3.164 0.000 3.128) 4.449 2.159 ( 3.111 0.000 -2.525) 4.007 2.328 ( 4.053 0.000 -1.095) 4.199 2.389 ( -2.748 0.000 6.318) 6.889 2.536 ( 11.585 0.000 4.730) 12.513 2.599 ( 9.156 0.000 -6.001) 10.948 2.963 ( -1.060 0.000 -1.691) 1.996 3.179 ( -0.497 0.000 -3.999) 4.030 3.261 ( -8.545 0.000 1.233) 8.634 3.505 ( -0.430 0.000 0.015) 0.430 3.608 ( -4.767 0.000 1.135) 4.900 3.609 ( 2.703 0.000 -8.612) 9.026 3.907 ( -4.465 0.000 2.003) 4.894 4.066 ( 8.124 0.000 -6.377) 10.328 4.200 ( -10.048 0.000 14.158) 17.361 4.307 ( -2.719 0.000 2.326) 3.578 4.447 ( -17.977 0.000 2.220) 18.114 4.474 ( -16.418 0.000 1.138) 16.458 4.725 ( -6.186 0.000 10.862) 12.500 4.817 ( 3.849 0.000 9.255) 10.024 5.117 ( 8.710 0.000 1.226) 8.796 5.174 ( 8.146 0.000 -0.839) 8.189 5.392 ( 2.369 0.000 -5.712) 6.184 5.549 ( -4.887 0.000 -0.148) 4.890 5.712 ( 5.108 0.000 3.008) 5.928 6.039 ( -5.660 0.000 -5.718) 8.045 6.143 ( -4.500 0.000 -6.639) 8.020 6.399 ( 9.094 0.000 -1.546) 9.224 6.495 ( 7.107 0.000 -0.288) 7.113 6.498 ( 1.253 0.000 -2.008) 2.367 6.986 ( -0.980 0.000 -9.667) 9.716 7.097 ( -2.478 0.000 -12.825) 13.063 7.098 ( -3.472 0.000 -5.044) 6.124 8.043 ( 2.218 0.000 -1.812) 2.864 8.100 ( 3.713 0.000 -0.304) 3.726 8.394 ( 0.324 0.000 -0.428) 0.536 8.557 ( 17.210 0.000 -13.154) 21.661 9.779 ( 2.737 0.000 1.782) 3.266 9.819 ( 2.221 0.000 1.216) 2.532 10.157 ( -1.522 0.000 6.769) 6.938 10.331 ( 0.230 0.000 -0.682) 0.720 10.559 ( 2.463 0.000 -1.830) 3.068 10.566 ( -6.144 0.000 2.278) 6.553 10.658 ( -2.795 0.000 1.091) 3.001 10.691 ( 0.870 0.000 0.578) 1.044 11.527 ( -0.118 0.000 0.177) 0.213 11.583 ( -0.123 0.000 -0.644) 0.655 11.809 ( -5.076 0.000 1.809) 5.389 11.891 ( -2.421 0.000 -2.672) 3.606 14.758 ( 0.653 0.000 -0.606) 0.891 14.839 ( -2.730 0.000 -1.169) 2.970 14.904 ( -1.617 0.000 -0.491) 1.690 14.915 ( -0.130 0.000 0.337) 0.361 15.204 ( 0.588 0.000 1.160) 1.300 15.212 ( 2.453 0.000 1.127) 2.699 15.439 ( -0.361 0.000 0.138) 0.387 15.441 ( 0.532 0.000 0.544) 0.761 17.351 ( 0.884 0.000 0.807) 1.197 17.383 ( -5.063 0.000 3.673) 6.255 17.439 ( 1.191 0.000 -1.098) 1.620 17.535 ( -0.167 0.000 0.778) 0.796 18.477 ( -0.704 0.000 2.218) 2.327 18.724 ( -1.478 0.000 -2.380) 2.801 19.118 ( -0.736 0.000 1.566) 1.731 19.154 ( -1.967 0.000 -0.711) 2.092 27.813 ( 0.427 0.000 -1.363) 1.428 27.869 ( -0.220 0.000 -1.893) 1.906 27.915 ( -0.910 0.000 1.367) 1.642 28.011 ( -0.023 0.000 0.208) 0.209 29.099 ( 1.576 0.000 1.748) 2.354 29.327 ( -0.361 0.000 -3.341) 3.360 30.055 ( -9.895 0.000 -5.974) 11.559 30.341 ( -3.310 0.000 2.968) 4.446 30.512 ( 1.875 0.000 4.054) 4.467 30.538 ( 0.804 0.000 -1.318) 1.544 30.711 ( 5.980 0.000 -2.815) 6.610 30.828 ( 10.755 0.000 -2.263) 10.991 31.498 ( 8.211 0.000 -5.546) 9.908 31.883 ( 9.455 0.000 5.954) 11.174 32.489 ( -1.651 0.000 9.506) 9.648 33.299 ( -5.969 0.000 -8.858) 10.681 ======================= Grid point 67 (24/129) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.888 0.000 22.868) 23.384 1.305 ( 11.530 0.000 19.011) 22.234 1.996 ( 2.566 0.000 20.122) 20.285 2.201 ( 1.942 0.000 -0.919) 2.149 2.258 ( 6.521 0.000 5.844) 8.756 2.409 ( 7.673 0.000 0.916) 7.728 2.431 ( 6.386 0.000 2.205) 6.756 2.635 ( 10.967 0.000 -15.488) 18.978 2.683 ( 6.081 0.000 -6.926) 9.216 2.893 ( -3.811 0.000 -2.664) 4.650 3.213 ( -3.924 0.000 6.403) 7.510 3.316 ( 6.463 0.000 9.383) 11.393 3.484 ( -7.905 0.000 -6.209) 10.052 3.516 ( 0.683 0.000 0.894) 1.125 3.594 ( 6.852 0.000 -1.634) 7.044 3.843 ( -7.714 0.000 4.610) 8.986 4.070 ( -5.312 0.000 0.730) 5.362 4.134 ( -17.610 0.000 -3.170) 17.893 4.209 ( -10.350 0.000 4.405) 11.248 4.320 ( 6.572 0.000 4.907) 8.202 4.325 ( -3.119 0.000 7.775) 8.377 4.773 ( -5.298 0.000 12.117) 13.225 4.912 ( -0.589 0.000 5.139) 5.173 5.155 ( -8.320 0.000 -0.092) 8.321 5.274 ( 7.615 0.000 -0.480) 7.630 5.378 ( 1.813 0.000 -2.939) 3.453 5.516 ( 3.283 0.000 -3.039) 4.473 5.826 ( 3.656 0.000 3.839) 5.302 5.894 ( -5.291 0.000 -3.201) 6.184 6.013 ( -4.117 0.000 -2.873) 5.020 6.413 ( 2.109 0.000 -9.281) 9.518 6.596 ( 7.071 0.000 4.769) 8.529 6.602 ( 5.639 0.000 0.513) 5.662 6.802 ( -2.144 0.000 -14.889) 15.042 6.967 ( -3.398 0.000 -7.805) 8.513 6.995 ( -0.552 0.000 -3.646) 3.687 8.084 ( 4.237 0.000 -1.010) 4.356 8.169 ( 4.609 0.000 -0.032) 4.609 8.381 ( 0.609 0.000 -2.295) 2.374 8.600 ( 6.720 0.000 -12.292) 14.009 9.861 ( 4.998 0.000 1.543) 5.231 9.871 ( 3.384 0.000 0.290) 3.396 10.184 ( -4.291 0.000 5.473) 6.955 10.301 ( -2.967 0.000 -0.585) 3.024 10.494 ( -3.731 0.000 3.090) 4.844 10.587 ( 3.540 0.000 -1.862) 4.000 10.697 ( 4.273 0.000 -0.523) 4.305 10.724 ( 1.974 0.000 1.100) 2.260 11.525 ( -0.386 0.000 0.094) 0.398 11.573 ( -0.097 0.000 -0.864) 0.870 11.766 ( -3.590 0.000 2.617) 4.443 11.814 ( -3.315 0.000 -2.576) 4.198 14.746 ( -1.149 0.000 0.182) 1.163 14.785 ( -1.827 0.000 -1.201) 2.187 14.869 ( -1.806 0.000 -0.482) 1.870 14.905 ( -1.444 0.000 0.257) 1.466 15.229 ( 1.037 0.000 0.776) 1.295 15.268 ( 3.071 0.000 0.483) 3.109 15.436 ( -0.863 0.000 0.996) 1.318 15.456 ( 0.423 0.000 0.305) 0.522 17.377 ( 1.149 0.000 0.731) 1.362 17.378 ( -0.339 0.000 1.943) 1.972 17.454 ( 2.292 0.000 -0.973) 2.490 17.543 ( -0.602 0.000 1.881) 1.975 18.507 ( 0.390 0.000 3.641) 3.662 18.673 ( -1.393 0.000 -2.227) 2.626 19.096 ( -3.481 0.000 -1.687) 3.868 19.116 ( -2.027 0.000 1.922) 2.794 27.809 ( 0.393 0.000 -0.644) 0.754 27.846 ( 0.071 0.000 -1.671) 1.673 27.908 ( -1.422 0.000 0.651) 1.564 28.010 ( -0.346 0.000 0.255) 0.429 29.154 ( 2.180 0.000 2.372) 3.222 29.286 ( -0.130 0.000 -3.161) 3.164 29.816 ( -9.133 0.000 -8.499) 12.476 30.222 ( -15.110 0.000 7.201) 16.738 30.567 ( 4.013 0.000 -1.642) 4.335 30.649 ( 8.958 0.000 4.899) 10.210 30.751 ( -0.173 0.000 2.487) 2.493 30.941 ( 8.520 0.000 -4.518) 9.644 31.649 ( 21.361 0.000 -15.860) 26.605 32.152 ( 11.255 0.000 10.825) 15.616 32.562 ( -1.905 0.000 9.033) 9.231 33.059 ( -9.976 0.000 -10.064) 14.170 ======================= Grid point 68 (25/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 5.704 0.000 16.577) 17.530 1.654 ( 8.530 0.000 13.318) 15.815 2.102 ( -6.609 0.000 1.368) 6.749 2.173 ( -1.330 0.000 7.241) 7.362 2.388 ( -1.118 0.000 -2.782) 2.998 2.510 ( 0.361 0.000 -0.295) 0.466 2.517 ( 5.304 0.000 -6.929) 8.726 2.661 ( 9.208 0.000 -2.005) 9.424 2.832 ( 18.941 0.000 -3.351) 19.235 2.837 ( 2.397 0.000 -1.556) 2.858 3.110 ( -14.933 0.000 -4.547) 15.609 3.331 ( -6.254 0.000 -0.924) 6.322 3.342 ( 1.497 0.000 -1.577) 2.174 3.535 ( 1.790 0.000 -0.219) 1.803 3.783 ( -5.831 0.000 3.432) 6.766 3.812 ( 7.687 0.000 6.887) 10.321 3.814 ( -14.911 0.000 -3.326) 15.277 3.992 ( -4.533 0.000 8.229) 9.395 4.203 ( -0.162 0.000 3.990) 3.994 4.442 ( 3.240 0.000 10.089) 10.596 4.532 ( 11.679 0.000 3.021) 12.063 4.788 ( -9.208 0.000 9.854) 13.487 4.963 ( 1.551 0.000 3.461) 3.793 5.003 ( -7.475 0.000 -1.725) 7.671 5.316 ( 3.432 0.000 -5.756) 6.701 5.377 ( 1.107 0.000 0.293) 1.145 5.568 ( 5.015 0.000 -0.580) 5.048 5.749 ( -3.691 0.000 -6.240) 7.250 5.969 ( 1.775 0.000 9.530) 9.694 5.983 ( -0.431 0.000 5.601) 5.618 6.314 ( 1.468 0.000 -12.891) 12.974 6.598 ( -0.465 0.000 -12.349) 12.358 6.692 ( 1.625 0.000 -0.899) 1.856 6.735 ( 1.469 0.000 1.056) 1.809 6.875 ( 3.037 0.000 -1.092) 3.227 6.965 ( -2.591 0.000 2.192) 3.394 8.134 ( 3.559 0.000 -1.938) 4.052 8.230 ( 2.858 0.000 -0.205) 2.866 8.380 ( 1.415 0.000 -0.127) 1.420 8.509 ( -2.111 0.000 -9.706) 9.933 9.935 ( 4.114 0.000 0.382) 4.131 9.969 ( 6.407 0.000 1.205) 6.519 10.140 ( -6.223 0.000 2.114) 6.572 10.252 ( -1.649 0.000 -0.487) 1.719 10.509 ( 0.985 0.000 2.116) 2.334 10.627 ( 4.071 0.000 -1.921) 4.502 10.753 ( 3.600 0.000 -1.004) 3.737 10.775 ( 2.305 0.000 1.661) 2.841 11.518 ( -0.554 0.000 0.051) 0.556 11.563 ( 0.169 0.000 -0.917) 0.933 11.736 ( -3.022 0.000 -1.964) 3.604 11.747 ( -2.733 0.000 2.798) 3.912 14.736 ( -0.707 0.000 0.854) 1.109 14.758 ( -0.326 0.000 -0.885) 0.943 14.847 ( -0.257 0.000 0.272) 0.374 14.883 ( -1.610 0.000 0.615) 1.724 15.250 ( 1.008 0.000 0.001) 1.008 15.313 ( 2.656 0.000 -0.764) 2.764 15.434 ( -1.444 0.000 1.917) 2.400 15.455 ( -0.694 0.000 -0.034) 0.694 17.402 ( 1.133 0.000 0.943) 1.474 17.402 ( 1.348 0.000 0.242) 1.369 17.490 ( 3.412 0.000 -0.913) 3.532 17.559 ( -0.961 0.000 3.043) 3.192 18.567 ( 1.264 0.000 4.319) 4.500 18.635 ( -0.841 0.000 -1.267) 1.521 19.008 ( -4.215 0.000 -2.816) 5.069 19.091 ( -3.105 0.000 0.756) 3.196 27.807 ( -0.037 0.000 -0.454) 0.456 27.837 ( 0.824 0.000 -1.213) 1.467 27.882 ( -2.094 0.000 -0.213) 2.105 28.004 ( -0.754 0.000 0.020) 0.754 29.217 ( 2.112 0.000 2.620) 3.365 29.251 ( -0.238 0.000 -2.686) 2.696 29.595 ( -6.065 0.000 -8.429) 10.384 30.066 ( -12.882 0.000 5.168) 13.880 30.610 ( 3.631 0.000 -1.904) 4.100 30.767 ( 0.138 0.000 1.185) 1.193 30.866 ( 8.795 0.000 5.999) 10.646 31.012 ( 6.993 0.000 -4.551) 8.344 31.800 ( 18.144 0.000 -12.857) 22.238 32.414 ( 3.373 0.000 11.091) 11.592 32.668 ( 4.803 0.000 8.262) 9.557 32.781 ( -10.275 0.000 -9.735) 14.154 ======================= Grid point 69 (26/129) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 2.850 0.000 8.322) 8.796 1.850 ( 0.297 0.000 7.498) 7.504 1.975 ( -1.416 0.000 -6.878) 7.022 2.110 ( -14.025 0.000 -13.909) 19.752 2.255 ( -3.857 0.000 12.089) 12.689 2.474 ( -2.120 0.000 -2.587) 3.345 2.498 ( -2.523 0.000 -1.529) 2.950 2.745 ( -13.630 0.000 -2.889) 13.932 2.879 ( 5.684 0.000 10.188) 11.666 2.988 ( 9.399 0.000 -0.665) 9.422 3.008 ( 11.321 0.000 -8.586) 14.209 3.170 ( -9.278 0.000 -5.552) 10.812 3.380 ( 3.923 0.000 -1.434) 4.177 3.544 ( 8.428 0.000 -9.301) 12.551 3.677 ( -5.575 0.000 7.850) 9.628 3.742 ( -2.606 0.000 1.125) 2.839 3.979 ( 4.856 0.000 6.518) 8.128 4.097 ( -1.174 0.000 12.737) 12.791 4.238 ( 1.121 0.000 2.000) 2.293 4.524 ( -2.359 0.000 0.342) 2.384 4.697 ( 3.091 0.000 1.772) 3.563 4.704 ( -11.226 0.000 5.837) 12.653 4.922 ( -1.850 0.000 0.805) 2.018 5.032 ( 7.175 0.000 -3.888) 8.161 5.352 ( 9.758 0.000 -2.194) 10.002 5.420 ( 3.481 0.000 -0.873) 3.589 5.626 ( -2.999 0.000 -5.882) 6.602 5.633 ( 0.647 0.000 2.378) 2.464 6.080 ( -0.047 0.000 6.070) 6.070 6.152 ( 3.680 0.000 11.456) 12.032 6.197 ( 5.713 0.000 -8.895) 10.572 6.479 ( 2.736 0.000 -9.685) 10.064 6.675 ( -1.989 0.000 -1.936) 2.775 6.682 ( -3.572 0.000 -1.442) 3.852 6.943 ( -7.561 0.000 7.334) 10.534 7.012 ( 7.395 0.000 3.290) 8.093 8.149 ( 2.453 0.000 -3.526) 4.295 8.248 ( 0.759 0.000 -2.634) 2.741 8.346 ( -6.674 0.000 -4.294) 7.936 8.425 ( 0.647 0.000 4.555) 4.601 10.004 ( 2.909 0.000 0.946) 3.059 10.054 ( -4.548 0.000 -0.490) 4.575 10.082 ( 6.121 0.000 0.664) 6.157 10.239 ( 0.528 0.000 -0.722) 0.895 10.553 ( 1.714 0.000 1.415) 2.223 10.669 ( 3.826 0.000 -2.033) 4.333 10.788 ( 2.103 0.000 -0.790) 2.247 10.829 ( 1.640 0.000 2.056) 2.630 11.510 ( -0.469 0.000 0.169) 0.499 11.559 ( 0.494 0.000 -0.662) 0.826 11.680 ( -1.754 0.000 -1.095) 2.067 11.734 ( -2.523 0.000 2.132) 3.304 14.740 ( -0.240 0.000 0.943) 0.973 14.745 ( -0.276 0.000 -0.650) 0.706 14.871 ( -1.042 0.000 0.926) 1.394 14.873 ( 1.875 0.000 1.444) 2.367 15.262 ( 0.995 0.000 -0.722) 1.229 15.333 ( 1.766 0.000 -1.980) 2.653 15.432 ( -1.686 0.000 2.242) 2.805 15.437 ( -1.437 0.000 0.036) 1.437 17.427 ( 1.762 0.000 -0.310) 1.789 17.431 ( 1.293 0.000 0.573) 1.414 17.538 ( 3.789 0.000 -0.938) 3.903 17.575 ( -1.801 0.000 3.258) 3.723 18.618 ( -0.180 0.000 -0.457) 0.491 18.632 ( 1.024 0.000 3.431) 3.580 18.910 ( -3.424 0.000 -3.129) 4.638 19.037 ( -3.550 0.000 -0.447) 3.578 27.790 ( -1.143 0.000 -1.147) 1.619 27.846 ( 1.686 0.000 -0.620) 1.796 27.848 ( -1.425 0.000 -0.118) 1.430 27.985 ( -1.417 0.000 -0.379) 1.467 29.221 ( -0.153 0.000 -1.959) 1.965 29.274 ( 1.501 0.000 2.071) 2.558 29.449 ( -2.330 0.000 -5.337) 5.824 29.932 ( -9.527 0.000 2.960) 9.976 30.640 ( 2.786 0.000 -1.803) 3.318 30.777 ( -0.565 0.000 1.336) 1.451 31.039 ( 5.991 0.000 2.731) 6.584 31.061 ( 4.785 0.000 -3.531) 5.947 31.955 ( 15.151 0.000 -6.247) 16.388 32.507 ( -2.370 0.000 7.006) 7.395 32.537 ( -7.595 0.000 -7.431) 10.626 32.872 ( 6.750 0.000 7.745) 10.274 ======================= Grid point 70 (27/129) ======================= q-point: ( 0.42 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -4.988 0.000 -7.722) 9.193 1.828 ( -3.135 0.000 -0.851) 3.248 1.899 ( -3.002 0.000 2.991) 4.238 1.957 ( 2.101 0.000 -1.848) 2.798 2.310 ( -6.511 0.000 11.747) 13.431 2.406 ( -3.196 0.000 -1.405) 3.491 2.412 ( -4.851 0.000 0.867) 4.928 2.542 ( -6.631 0.000 -3.555) 7.524 2.921 ( -7.152 0.000 -4.502) 8.451 2.997 ( 1.303 0.000 1.886) 2.292 3.133 ( 12.702 0.000 -10.349) 16.384 3.172 ( 5.088 0.000 6.206) 8.025 3.436 ( 5.484 0.000 -1.273) 5.629 3.627 ( 12.466 0.000 -8.030) 14.829 3.676 ( -6.225 0.000 6.967) 9.343 3.713 ( -1.253 0.000 -1.175) 1.718 4.129 ( 3.975 0.000 6.719) 7.806 4.136 ( -7.809 0.000 8.982) 11.902 4.319 ( 3.375 0.000 2.118) 3.984 4.422 ( -6.181 0.000 -3.204) 6.962 4.592 ( -8.242 0.000 2.553) 8.628 4.650 ( -6.072 0.000 -1.694) 6.304 4.917 ( -0.718 0.000 -0.007) 0.718 5.118 ( 11.449 0.000 -8.645) 14.347 5.447 ( 3.095 0.000 -3.524) 4.690 5.525 ( -2.100 0.000 -4.831) 5.268 5.569 ( 13.727 0.000 3.934) 14.279 5.633 ( -1.635 0.000 -0.300) 1.662 6.081 ( 1.803 0.000 -9.751) 9.916 6.084 ( -0.750 0.000 -2.474) 2.586 6.451 ( 0.948 0.000 -6.768) 6.835 6.503 ( 6.605 0.000 18.750) 19.879 6.612 ( -4.143 0.000 -0.683) 4.199 6.640 ( 1.112 0.000 2.748) 2.964 6.884 ( -10.368 0.000 8.585) 13.461 7.129 ( 3.804 0.000 1.227) 3.997 8.142 ( 1.757 0.000 -3.651) 4.052 8.166 ( -1.944 0.000 -5.688) 6.011 8.283 ( -2.201 0.000 3.807) 4.397 8.486 ( -1.791 0.000 7.269) 7.486 9.982 ( -2.499 0.000 0.222) 2.509 10.063 ( 2.070 0.000 0.373) 2.103 10.166 ( 3.693 0.000 -0.386) 3.713 10.242 ( 0.910 0.000 -0.975) 1.334 10.587 ( 0.780 0.000 0.863) 1.163 10.699 ( 2.818 0.000 -2.187) 3.567 10.808 ( 1.115 0.000 -0.021) 1.115 10.867 ( 0.142 0.000 2.043) 2.048 11.507 ( -0.289 0.000 0.404) 0.497 11.563 ( 0.577 0.000 -0.337) 0.668 11.655 ( -0.400 0.000 -0.286) 0.492 11.715 ( -2.166 0.000 1.148) 2.452 14.739 ( 0.038 0.000 0.040) 0.055 14.747 ( -0.191 0.000 0.957) 0.976 14.865 ( -0.802 0.000 0.342) 0.872 14.919 ( 1.060 0.000 1.600) 1.919 15.268 ( 1.021 0.000 -0.946) 1.392 15.329 ( 1.405 0.000 -2.870) 3.195 15.417 ( -1.188 0.000 0.506) 1.291 15.429 ( -1.694 0.000 2.010) 2.628 17.451 ( 1.897 0.000 -0.826) 2.069 17.454 ( 0.729 0.000 0.580) 0.932 17.568 ( -2.835 0.000 2.004) 3.472 17.583 ( 2.825 0.000 -0.882) 2.960 18.612 ( 0.083 0.000 -0.661) 0.666 18.666 ( -0.335 0.000 1.353) 1.394 18.845 ( -0.888 0.000 -1.661) 1.884 18.981 ( -2.179 0.000 -0.733) 2.299 27.761 ( -0.600 0.000 -0.524) 0.796 27.835 ( -0.524 0.000 0.195) 0.559 27.874 ( 2.217 0.000 -0.123) 2.221 27.952 ( -1.794 0.000 -0.701) 1.926 29.206 ( 0.437 0.000 -0.988) 1.080 29.304 ( 0.228 0.000 0.489) 0.539 29.401 ( 0.618 0.000 -0.809) 1.018 29.835 ( -5.794 0.000 1.746) 6.051 30.660 ( 2.086 0.000 -1.545) 2.596 30.778 ( -0.754 0.000 0.625) 0.980 31.089 ( 2.913 0.000 -2.163) 3.628 31.109 ( 1.873 0.000 -1.064) 2.154 32.143 ( 12.026 0.000 0.723) 12.048 32.386 ( -3.749 0.000 -2.929) 4.757 32.525 ( -2.823 0.000 3.654) 4.617 33.003 ( 1.039 0.000 3.607) 3.754 ======================= Grid point 71 (28/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 8.768 0.000 2.995) 9.265 1.790 ( -0.454 0.000 -0.728) 0.858 1.890 ( -2.313 0.000 2.440) 3.362 1.962 ( 0.206 0.000 -1.382) 1.397 2.314 ( -5.994 0.000 10.259) 11.881 2.347 ( 0.149 0.000 -3.606) 3.609 2.440 ( 3.180 0.000 5.448) 6.308 2.442 ( 0.172 0.000 -5.030) 5.033 2.846 ( 3.275 0.000 -3.280) 4.635 2.974 ( -3.659 0.000 -2.178) 4.259 3.177 ( 6.489 0.000 -10.460) 12.310 3.229 ( -4.382 0.000 3.736) 5.759 3.525 ( 4.430 0.000 1.432) 4.656 3.605 ( -7.486 0.000 2.439) 7.874 3.680 ( 0.313 0.000 -2.768) 2.786 3.758 ( 11.253 0.000 -5.162) 12.381 4.098 ( -8.496 0.000 7.678) 11.451 4.212 ( -5.272 0.000 7.686) 9.320 4.283 ( -6.531 0.000 -4.868) 8.145 4.290 ( -4.866 0.000 -4.319) 6.507 4.524 ( -0.968 0.000 -0.144) 0.979 4.597 ( 2.993 0.000 -0.833) 3.107 4.887 ( -0.812 0.000 -2.367) 2.502 5.160 ( 4.527 0.000 -7.921) 9.123 5.450 ( -0.470 0.000 -4.648) 4.672 5.451 ( 3.332 0.000 -4.228) 5.384 5.584 ( -2.340 0.000 -2.785) 3.637 5.800 ( 5.341 0.000 7.301) 9.046 6.013 ( 0.072 0.000 -5.806) 5.807 6.032 ( -1.127 0.000 -5.887) 5.994 6.351 ( 2.178 0.000 -8.343) 8.622 6.515 ( -6.815 0.000 -0.378) 6.826 6.740 ( 0.966 0.000 13.086) 13.122 6.775 ( 5.660 0.000 7.236) 9.187 6.834 ( -7.891 0.000 9.711) 12.513 7.160 ( -1.702 0.000 0.293) 1.727 8.125 ( 1.557 0.000 -3.891) 4.191 8.129 ( 3.059 0.000 -2.214) 3.776 8.338 ( 2.001 0.000 7.114) 7.390 8.524 ( -3.962 0.000 7.545) 8.522 9.973 ( 0.114 0.000 1.189) 1.194 10.083 ( -0.151 0.000 0.529) 0.550 10.180 ( -0.468 0.000 -1.728) 1.790 10.246 ( 0.773 0.000 -0.980) 1.249 10.594 ( -0.877 0.000 0.465) 0.993 10.708 ( 1.417 0.000 -2.225) 2.638 10.826 ( 0.567 0.000 0.903) 1.067 10.875 ( -1.656 0.000 1.484) 2.224 11.510 ( -0.160 0.000 0.619) 0.640 11.568 ( 0.374 0.000 -0.177) 0.413 11.660 ( 0.737 0.000 0.566) 0.929 11.694 ( -1.347 0.000 0.277) 1.376 14.746 ( 0.336 0.000 0.668) 0.748 14.755 ( -0.480 0.000 1.283) 1.370 14.851 ( -0.654 0.000 -0.575) 0.871 14.929 ( -1.565 0.000 0.781) 1.749 15.272 ( 0.582 0.000 -0.849) 1.029 15.322 ( 2.040 0.000 -3.037) 3.659 15.415 ( -0.096 0.000 0.943) 0.948 15.422 ( -1.763 0.000 1.565) 2.357 17.461 ( 0.613 0.000 -1.396) 1.525 17.465 ( -0.300 0.000 0.699) 0.761 17.538 ( -2.280 0.000 0.814) 2.421 17.602 ( 0.687 0.000 -0.896) 1.129 18.604 ( 0.296 0.000 -1.006) 1.049 18.649 ( -2.115 0.000 -0.790) 2.258 18.847 ( 1.964 0.000 0.246) 1.979 18.960 ( 0.434 0.000 -0.678) 0.805 27.769 ( 1.111 0.000 1.081) 1.550 27.832 ( -0.126 0.000 0.305) 0.330 27.899 ( -0.291 0.000 -0.237) 0.375 27.927 ( 0.906 0.000 -0.559) 1.064 29.212 ( 1.139 0.000 -0.069) 1.141 29.291 ( -1.215 0.000 -1.250) 1.743 29.446 ( 2.860 0.000 3.651) 4.638 29.785 ( -2.202 0.000 0.453) 2.249 30.671 ( 1.206 0.000 -1.115) 1.643 30.765 ( -1.140 0.000 -0.442) 1.222 31.087 ( -0.856 0.000 -3.924) 4.016 31.112 ( 2.385 0.000 -0.978) 2.578 32.312 ( 0.328 0.000 5.443) 5.453 32.385 ( 7.440 0.000 3.278) 8.130 32.496 ( -4.055 0.000 0.751) 4.124 32.981 ( -5.055 0.000 -1.654) 5.319 ======================= Grid point 72 (29/129) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -11.576 0.000 -3.061) 11.974 1.782 ( -2.339 0.000 0.760) 2.459 1.928 ( -1.435 0.000 -1.329) 1.956 2.082 ( 15.619 0.000 4.749) 16.325 2.336 ( 4.959 0.000 -6.607) 8.261 2.346 ( -6.991 0.000 11.623) 13.563 2.459 ( 8.210 0.000 -5.195) 9.715 2.614 ( 8.724 0.000 6.840) 11.086 2.891 ( -1.878 0.000 0.933) 2.097 2.904 ( 9.101 0.000 -9.225) 12.959 3.117 ( 0.436 0.000 -6.920) 6.934 3.149 ( -8.896 0.000 2.447) 9.226 3.531 ( -0.904 0.000 -0.781) 1.195 3.582 ( -0.674 0.000 3.386) 3.453 3.667 ( 1.844 0.000 -3.067) 3.578 3.836 ( 3.746 0.000 -5.610) 6.746 4.023 ( -9.721 0.000 4.306) 10.632 4.102 ( -5.833 0.000 -5.436) 7.973 4.109 ( -16.415 0.000 10.608) 19.544 4.212 ( 2.423 0.000 -7.125) 7.526 4.514 ( -0.262 0.000 -3.917) 3.926 4.658 ( 3.739 0.000 -1.114) 3.902 4.875 ( 2.810 0.000 -0.771) 2.914 5.078 ( -4.288 0.000 -6.018) 7.389 5.411 ( 1.387 0.000 -3.808) 4.053 5.442 ( -2.696 0.000 -2.579) 3.731 5.523 ( 2.731 0.000 -3.997) 4.841 5.867 ( -3.780 0.000 -9.940) 10.635 5.907 ( -4.758 0.000 9.303) 10.449 5.947 ( -2.148 0.000 -1.769) 2.783 6.412 ( 12.665 0.000 -5.509) 13.811 6.429 ( -2.890 0.000 0.502) 2.933 6.864 ( -2.401 0.000 10.394) 10.667 6.869 ( -0.250 0.000 9.253) 9.256 6.933 ( 2.601 0.000 8.032) 8.443 7.065 ( -7.786 0.000 -1.752) 7.981 8.113 ( 2.373 0.000 -3.476) 4.209 8.186 ( 4.824 0.000 -0.751) 4.882 8.511 ( 6.622 0.000 10.658) 12.548 8.529 ( -4.857 0.000 5.979) 7.703 9.994 ( 0.192 0.000 0.851) 0.873 10.077 ( -1.330 0.000 1.081) 1.714 10.124 ( -3.565 0.000 -1.974) 4.076 10.237 ( -0.164 0.000 -1.523) 1.532 10.570 ( -2.606 0.000 0.280) 2.621 10.696 ( 0.091 0.000 -2.040) 2.042 10.843 ( -0.388 0.000 1.507) 1.556 10.849 ( -2.998 0.000 0.735) 3.087 11.515 ( -0.068 0.000 0.674) 0.677 11.572 ( 0.379 0.000 -0.049) 0.382 11.676 ( -0.756 0.000 -0.636) 0.988 11.693 ( 1.894 0.000 1.609) 2.485 14.761 ( -0.959 0.000 1.954) 2.177 14.761 ( 0.365 0.000 0.789) 0.869 14.841 ( 0.382 0.000 -0.466) 0.603 14.895 ( -2.741 0.000 0.146) 2.745 15.264 ( -0.319 0.000 -1.158) 1.202 15.327 ( 2.354 0.000 -2.609) 3.513 15.407 ( -1.928 0.000 1.154) 2.247 15.433 ( 0.776 0.000 1.047) 1.304 17.439 ( -1.151 0.000 -1.141) 1.620 17.458 ( -1.539 0.000 0.710) 1.695 17.522 ( -0.732 0.000 0.229) 0.767 17.584 ( -1.399 0.000 -1.016) 1.729 18.588 ( -3.231 0.000 -2.120) 3.864 18.610 ( 1.289 0.000 0.029) 1.289 18.903 ( 3.795 0.000 0.933) 3.908 18.969 ( 2.051 0.000 -1.823) 2.744 27.806 ( 1.142 0.000 1.290) 1.723 27.841 ( 0.651 0.000 0.701) 0.956 27.876 ( -1.130 0.000 -0.409) 1.202 27.951 ( 1.934 0.000 -0.716) 2.062 29.240 ( 1.808 0.000 0.665) 1.927 29.245 ( -1.969 0.000 -1.971) 2.787 29.568 ( 4.629 0.000 7.057) 8.440 29.763 ( 0.469 0.000 -2.571) 2.614 30.674 ( 0.208 0.000 -0.456) 0.502 30.729 ( -1.591 0.000 -2.136) 2.663 31.004 ( -3.258 0.000 -4.557) 5.602 31.142 ( 2.034 0.000 -0.205) 2.044 32.362 ( -3.142 0.000 10.141) 10.617 32.411 ( -5.855 0.000 -1.919) 6.161 32.600 ( 9.923 0.000 7.183) 12.250 32.818 ( -9.465 0.000 -5.757) 11.078 ======================= Grid point 73 (30/129) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -17.991 0.000 -6.301) 19.062 1.648 ( -15.984 0.000 0.123) 15.984 1.930 ( 1.328 0.000 0.345) 1.372 2.268 ( 5.389 0.000 -3.252) 6.294 2.326 ( -9.263 0.000 8.513) 12.581 2.364 ( 5.936 0.000 -4.997) 7.759 2.509 ( 8.275 0.000 -7.874) 11.422 2.764 ( -6.449 0.000 -14.246) 15.637 2.825 ( 7.086 0.000 1.559) 7.255 3.019 ( 9.672 0.000 4.358) 10.609 3.046 ( -6.789 0.000 5.403) 8.676 3.120 ( 3.672 0.000 -3.682) 5.200 3.585 ( 8.258 0.000 -2.237) 8.556 3.592 ( -3.403 0.000 4.719) 5.818 3.651 ( 0.680 0.000 -2.315) 2.412 3.743 ( -6.224 0.000 1.444) 6.390 3.921 ( -1.850 0.000 -5.510) 5.813 4.014 ( -5.279 0.000 7.119) 8.862 4.059 ( -6.590 0.000 11.583) 13.327 4.160 ( 0.622 0.000 -7.070) 7.097 4.430 ( -1.082 0.000 -6.278) 6.370 4.641 ( -3.800 0.000 -3.369) 5.079 4.924 ( -6.649 0.000 -3.684) 7.601 4.942 ( 5.093 0.000 -0.830) 5.160 5.339 ( -3.448 0.000 -2.693) 4.375 5.392 ( 0.060 0.000 -2.907) 2.908 5.560 ( 4.260 0.000 -2.868) 5.135 5.696 ( -1.502 0.000 -9.261) 9.382 5.952 ( 2.209 0.000 4.113) 4.668 5.957 ( -1.691 0.000 7.398) 7.589 6.431 ( 1.147 0.000 1.068) 1.567 6.549 ( 8.678 0.000 -2.441) 9.015 6.815 ( -10.179 0.000 -2.621) 10.511 6.982 ( 2.510 0.000 9.856) 10.171 7.032 ( -0.545 0.000 7.254) 7.275 7.054 ( 2.857 0.000 7.448) 7.977 8.125 ( 2.343 0.000 -1.367) 2.712 8.240 ( 1.886 0.000 0.292) 1.908 8.503 ( -4.656 0.000 2.987) 5.532 8.761 ( 8.387 0.000 11.336) 14.101 9.978 ( -2.665 0.000 -0.133) 2.669 10.031 ( -5.492 0.000 -1.391) 5.666 10.076 ( -0.472 0.000 0.933) 1.045 10.207 ( -0.438 0.000 -2.930) 2.962 10.523 ( -3.730 0.000 0.591) 3.776 10.667 ( -0.910 0.000 -1.769) 1.989 10.802 ( -3.446 0.000 0.338) 3.463 10.839 ( -2.424 0.000 1.497) 2.849 11.522 ( 0.005 0.000 0.587) 0.587 11.579 ( 0.427 0.000 0.055) 0.431 11.657 ( -0.018 0.000 -1.318) 1.318 11.755 ( 3.014 0.000 2.376) 3.838 14.773 ( 0.141 0.000 0.697) 0.712 14.773 ( -0.648 0.000 2.924) 2.995 14.858 ( 1.415 0.000 0.835) 1.643 14.864 ( -1.096 0.000 0.442) 1.182 15.236 ( -0.958 0.000 -1.979) 2.199 15.321 ( -0.066 0.000 -2.508) 2.509 15.399 ( -0.237 0.000 1.243) 1.265 15.454 ( 0.474 0.000 0.706) 0.850 17.408 ( -1.560 0.000 -0.479) 1.632 17.433 ( -2.512 0.000 0.914) 2.673 17.514 ( -0.327 0.000 -0.114) 0.346 17.543 ( -2.237 0.000 -0.864) 2.398 18.513 ( -2.841 0.000 -1.876) 3.405 18.647 ( 2.144 0.000 1.577) 2.661 18.971 ( 2.119 0.000 -4.227) 4.728 18.978 ( 4.417 0.000 0.482) 4.444 27.827 ( 0.220 0.000 1.125) 1.146 27.861 ( -0.233 0.000 -0.351) 0.421 27.864 ( 1.037 0.000 0.374) 1.102 27.964 ( 1.339 0.000 -1.573) 2.065 29.190 ( -2.117 0.000 -1.771) 2.760 29.282 ( 2.101 0.000 1.028) 2.339 29.729 ( 2.237 0.000 -7.837) 8.150 29.742 ( 5.755 0.000 8.483) 10.251 30.660 ( -2.598 0.000 -4.712) 5.381 30.665 ( -1.127 0.000 0.040) 1.128 30.895 ( -5.173 0.000 -2.022) 5.554 31.167 ( 0.531 0.000 0.669) 0.854 32.260 ( -8.510 0.000 -5.129) 9.936 32.442 ( -4.786 0.000 15.425) 16.150 32.583 ( -9.595 0.000 -7.016) 11.887 32.851 ( 10.791 0.000 7.814) 13.323 ======================= Grid point 74 (31/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -21.252 0.000 -5.809) 22.031 1.287 ( -24.774 0.000 -5.271) 25.329 1.861 ( -17.434 0.000 1.073) 17.467 2.271 ( -3.543 0.000 0.685) 3.609 2.283 ( -0.645 0.000 1.950) 2.054 2.375 ( 2.121 0.000 -4.399) 4.884 2.446 ( -10.443 0.000 -6.182) 12.136 2.552 ( 8.289 0.000 -8.439) 11.829 2.792 ( -8.374 0.000 -10.072) 13.099 3.027 ( -0.917 0.000 5.927) 5.997 3.175 ( 2.800 0.000 -1.838) 3.349 3.178 ( 6.999 0.000 3.663) 7.900 3.617 ( -3.138 0.000 7.598) 8.221 3.657 ( -5.454 0.000 6.767) 8.692 3.696 ( 8.203 0.000 1.171) 8.286 3.760 ( 4.055 0.000 0.070) 4.056 3.832 ( -0.014 0.000 -6.534) 6.534 4.101 ( 2.677 0.000 10.179) 10.525 4.133 ( 0.908 0.000 11.612) 11.647 4.146 ( 7.208 0.000 -2.927) 7.779 4.352 ( -0.044 0.000 -7.210) 7.210 4.481 ( -9.580 0.000 -2.677) 9.947 4.802 ( -4.672 0.000 -3.510) 5.844 4.996 ( 4.964 0.000 -3.590) 6.126 5.307 ( 3.216 0.000 -3.117) 4.479 5.319 ( -4.560 0.000 -3.775) 5.920 5.580 ( 1.510 0.000 -0.975) 1.797 5.623 ( 2.781 0.000 -6.577) 7.141 6.021 ( 0.622 0.000 5.540) 5.575 6.093 ( 6.315 0.000 6.355) 8.959 6.464 ( 1.799 0.000 -0.144) 1.804 6.611 ( 1.611 0.000 -1.430) 2.155 6.632 ( -7.837 0.000 -2.396) 8.196 7.073 ( 0.431 0.000 2.756) 2.790 7.173 ( 4.570 0.000 11.371) 12.255 7.209 ( 4.774 0.000 8.332) 9.603 8.145 ( 0.006 0.000 1.235) 1.235 8.246 ( -2.041 0.000 0.809) 2.195 8.448 ( -3.723 0.000 -0.800) 3.808 9.017 ( 7.982 0.000 10.701) 13.350 9.916 ( -4.304 0.000 -0.604) 4.346 9.924 ( -6.269 0.000 -0.546) 6.293 10.073 ( -0.647 0.000 0.101) 0.655 10.153 ( -0.023 0.000 -6.602) 6.602 10.474 ( -3.765 0.000 1.782) 4.165 10.630 ( -1.361 0.000 -1.575) 2.082 10.753 ( -3.105 0.000 0.388) 3.129 10.793 ( -5.082 0.000 1.015) 5.182 11.527 ( -0.073 0.000 0.357) 0.365 11.584 ( 0.212 0.000 -0.091) 0.230 11.653 ( 1.306 0.000 -1.220) 1.787 11.836 ( 3.560 0.000 2.370) 4.276 14.789 ( 0.852 0.000 1.095) 1.387 14.809 ( 0.704 0.000 3.163) 3.240 14.871 ( 0.930 0.000 0.644) 1.132 14.902 ( 1.330 0.000 3.319) 3.576 15.189 ( -1.277 0.000 -3.260) 3.501 15.273 ( -2.205 0.000 -2.220) 3.129 15.423 ( 0.919 0.000 1.241) 1.544 15.460 ( -0.466 0.000 0.308) 0.559 17.378 ( -1.667 0.000 -0.246) 1.685 17.409 ( -2.684 0.000 2.850) 3.915 17.500 ( -1.980 0.000 -0.496) 2.042 17.510 ( 0.090 0.000 -0.332) 0.343 18.466 ( -1.378 0.000 -0.275) 1.405 18.705 ( 2.105 0.000 2.291) 3.111 18.934 ( 1.331 0.000 -7.666) 7.780 19.050 ( 4.245 0.000 -0.168) 4.249 27.845 ( 0.095 0.000 1.714) 1.716 27.860 ( 0.752 0.000 -0.518) 0.913 27.874 ( 0.442 0.000 -0.769) 0.887 27.958 ( 0.926 0.000 -2.787) 2.937 29.140 ( -2.078 0.000 -1.181) 2.390 29.327 ( 2.011 0.000 1.117) 2.300 29.645 ( 2.944 0.000 -15.285) 15.566 29.930 ( 6.172 0.000 7.793) 9.941 30.540 ( -4.817 0.000 -5.352) 7.200 30.631 ( -3.177 0.000 -0.335) 3.194 30.809 ( -4.526 0.000 0.669) 4.575 31.167 ( -2.901 0.000 2.099) 3.581 32.016 ( -11.220 0.000 -8.943) 14.349 32.401 ( -4.331 0.000 -4.864) 6.513 32.561 ( -5.773 0.000 21.495) 22.257 33.108 ( 11.061 0.000 6.306) 12.732 ======================= Grid point 75 (32/129) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -22.470 0.000 0.579) 22.478 0.780 ( -26.588 0.000 -9.712) 28.306 1.359 ( -42.322 0.000 4.255) 42.535 2.227 ( -3.299 0.000 0.330) 3.316 2.257 ( -3.977 0.000 1.758) 4.348 2.383 ( 1.383 0.000 0.522) 1.478 2.431 ( 7.463 0.000 -0.329) 7.471 2.472 ( -16.179 0.000 -6.524) 17.444 2.519 ( -4.266 0.000 -2.911) 5.164 3.087 ( -3.887 0.000 -9.261) 10.043 3.205 ( 11.071 0.000 10.492) 15.253 3.343 ( 5.753 0.000 4.887) 7.549 3.592 ( -8.599 0.000 5.841) 10.395 3.615 ( -6.047 0.000 5.555) 8.211 3.795 ( 1.682 0.000 -2.835) 3.296 3.799 ( 1.725 0.000 -0.270) 1.746 3.892 ( 10.768 0.000 0.873) 10.803 4.256 ( 3.904 0.000 -7.603) 8.546 4.272 ( 4.783 0.000 0.626) 4.824 4.276 ( 0.782 0.000 5.269) 5.327 4.357 ( 10.453 0.000 8.024) 13.178 4.358 ( -2.779 0.000 6.134) 6.734 4.666 ( -6.704 0.000 -3.791) 7.701 5.034 ( 5.588 0.000 -4.225) 7.006 5.188 ( -6.605 0.000 -2.474) 7.053 5.346 ( 6.535 0.000 -4.773) 8.093 5.603 ( 0.428 0.000 2.643) 2.677 5.605 ( 2.244 0.000 -4.659) 5.171 6.099 ( 2.906 0.000 3.316) 4.409 6.244 ( 5.171 0.000 2.550) 5.766 6.467 ( 0.400 0.000 -3.169) 3.195 6.538 ( -2.559 0.000 1.288) 2.865 6.570 ( -3.875 0.000 -2.137) 4.425 7.102 ( 0.464 0.000 1.065) 1.162 7.358 ( 5.035 0.000 5.533) 7.481 7.396 ( 5.396 0.000 11.509) 12.711 8.156 ( -1.516 0.000 3.513) 3.826 8.194 ( -4.770 0.000 -0.047) 4.770 8.369 ( -2.905 0.000 -3.729) 4.727 9.234 ( 8.350 0.000 0.483) 8.364 9.827 ( -5.715 0.000 0.824) 5.774 9.834 ( -4.593 0.000 -0.817) 4.665 10.043 ( -1.948 0.000 -9.449) 9.648 10.065 ( -0.702 0.000 0.701) 0.992 10.454 ( -2.454 0.000 4.332) 4.979 10.592 ( -1.093 0.000 -1.562) 1.906 10.708 ( -6.475 0.000 0.980) 6.548 10.715 ( -2.317 0.000 0.601) 2.393 11.528 ( -0.179 0.000 0.115) 0.213 11.586 ( 0.378 0.000 -0.225) 0.440 11.668 ( 1.479 0.000 -0.233) 1.497 11.912 ( 2.943 0.000 1.402) 3.260 14.826 ( 2.010 0.000 1.130) 2.306 14.856 ( 1.948 0.000 0.771) 2.095 14.900 ( 1.528 0.000 0.640) 1.657 14.976 ( 0.841 0.000 5.785) 5.845 15.121 ( -1.622 0.000 -4.229) 4.530 15.214 ( -2.284 0.000 -1.494) 2.729 15.446 ( 0.325 0.000 0.938) 0.993 15.450 ( -1.071 0.000 0.326) 1.119 17.351 ( -1.355 0.000 -0.175) 1.366 17.434 ( -1.041 0.000 7.430) 7.502 17.475 ( -1.542 0.000 2.741) 3.145 17.511 ( 0.660 0.000 -0.465) 0.807 18.460 ( -0.348 0.000 1.185) 1.235 18.757 ( 1.287 0.000 1.774) 2.192 18.833 ( -0.316 0.000 -12.294) 12.298 19.109 ( 3.593 0.000 -0.360) 3.611 27.864 ( 0.118 0.000 -1.416) 1.421 27.869 ( 0.051 0.000 2.002) 2.003 27.870 ( 1.559 0.000 -1.450) 2.129 27.930 ( 0.397 0.000 -4.093) 4.112 29.099 ( -1.907 0.000 -0.512) 1.975 29.367 ( 1.601 0.000 0.682) 1.740 29.459 ( 0.026 0.000 -23.161) 23.161 30.109 ( 6.169 0.000 6.423) 8.906 30.408 ( -5.323 0.000 -2.923) 6.073 30.561 ( -3.738 0.000 -1.495) 4.026 30.760 ( -2.966 0.000 1.027) 3.139 31.087 ( -11.103 0.000 1.663) 11.227 31.772 ( -4.711 0.000 -8.670) 9.867 32.327 ( -0.758 0.000 -1.592) 1.763 32.772 ( -1.892 0.000 28.972) 29.034 33.322 ( 8.951 0.000 1.796) 9.129 ======================= Grid point 76 (33/129) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -17.526 0.000 16.308) 23.940 0.436 ( -17.263 0.000 19.593) 26.114 0.835 ( -38.226 0.000 28.538) 47.703 2.063 ( -14.687 0.000 -2.624) 14.919 2.236 ( -0.565 0.000 -0.345) 0.662 2.259 ( -3.725 0.000 2.145) 4.298 2.378 ( -4.258 0.000 -3.058) 5.243 2.445 ( 1.418 0.000 2.699) 3.049 2.552 ( 1.623 0.000 0.706) 1.770 2.928 ( -1.464 0.000 -5.760) 5.943 3.429 ( 2.211 0.000 -3.868) 4.455 3.480 ( 2.444 0.000 8.709) 9.045 3.559 ( -1.276 0.000 2.768) 3.048 3.578 ( -2.822 0.000 4.286) 5.131 3.758 ( 0.453 0.000 -6.486) 6.502 3.894 ( 6.896 0.000 4.474) 8.220 4.027 ( 6.254 0.000 0.048) 6.254 4.210 ( -4.868 0.000 -3.050) 5.745 4.230 ( 1.300 0.000 3.505) 3.738 4.395 ( 5.693 0.000 6.383) 8.553 4.398 ( -3.234 0.000 -0.968) 3.375 4.572 ( 4.934 0.000 6.881) 8.467 4.671 ( 5.603 0.000 8.670) 10.323 5.060 ( -7.315 0.000 -0.509) 7.333 5.078 ( 3.012 0.000 -2.198) 3.729 5.387 ( 5.732 0.000 -6.826) 8.913 5.591 ( 1.852 0.000 -3.006) 3.530 5.650 ( -1.142 0.000 6.224) 6.328 6.182 ( 4.466 0.000 0.075) 4.466 6.289 ( 1.935 0.000 -5.074) 5.430 6.419 ( -1.366 0.000 -4.637) 4.834 6.459 ( -5.858 0.000 -2.406) 6.333 6.546 ( -0.442 0.000 1.747) 1.802 7.105 ( 0.048 0.000 -1.584) 1.585 7.415 ( 1.566 0.000 -5.351) 5.576 7.680 ( 12.472 0.000 12.626) 17.747 8.103 ( -4.267 0.000 -3.361) 5.432 8.158 ( -2.315 0.000 -1.312) 2.661 8.309 ( -0.481 0.000 1.775) 1.839 8.807 ( -34.833 0.000 -67.090) 75.594 9.759 ( -3.909 0.000 0.795) 3.989 9.772 ( -2.556 0.000 0.784) 2.673 10.071 ( -0.481 0.000 2.243) 2.294 10.130 ( 10.060 0.000 17.199) 19.925 10.554 ( 6.968 0.000 11.837) 13.736 10.563 ( -0.170 0.000 -1.694) 1.702 10.634 ( -3.453 0.000 3.964) 5.257 10.692 ( -1.436 0.000 0.596) 1.555 11.526 ( -0.121 0.000 0.063) 0.136 11.590 ( 0.384 0.000 -0.321) 0.500 11.725 ( 4.513 0.000 6.633) 8.023 11.953 ( 1.259 0.000 -0.286) 1.291 14.864 ( -2.124 0.000 -8.111) 8.385 14.868 ( 1.719 0.000 0.459) 1.779 14.918 ( -4.074 0.000 -5.606) 6.930 14.926 ( 0.686 0.000 0.397) 0.792 15.148 ( 2.514 0.000 5.904) 6.417 15.175 ( -1.150 0.000 -0.298) 1.188 15.439 ( -0.933 0.000 0.800) 1.229 15.452 ( -0.401 0.000 0.294) 0.497 17.334 ( -0.611 0.000 0.079) 0.616 17.445 ( 0.023 0.000 -0.947) 0.948 17.519 ( 0.893 0.000 -0.364) 0.965 17.685 ( 8.376 0.000 16.066) 18.118 18.470 ( -0.514 0.000 1.452) 1.540 18.676 ( -0.955 0.000 0.440) 1.051 18.781 ( 0.105 0.000 0.498) 0.508 19.154 ( 2.259 0.000 -0.139) 2.263 27.846 ( 0.206 0.000 -2.071) 2.081 27.858 ( 1.069 0.000 -1.262) 1.653 27.892 ( -0.281 0.000 2.254) 2.271 27.903 ( 0.464 0.000 -0.179) 0.497 29.071 ( -1.171 0.000 0.224) 1.192 29.178 ( -4.396 0.000 -3.681) 5.734 29.386 ( 0.644 0.000 -0.812) 1.037 30.250 ( 2.064 0.000 4.316) 4.785 30.321 ( -2.860 0.000 -0.370) 2.884 30.519 ( 2.969 0.000 -1.661) 3.402 30.732 ( -1.726 0.000 0.401) 1.772 30.858 ( -15.835 0.000 -1.293) 15.888 31.691 ( 2.810 0.000 -4.590) 5.382 32.335 ( 0.511 0.000 3.159) 3.200 33.096 ( 1.336 0.000 0.064) 1.337 33.362 ( 1.256 0.000 -8.283) 8.378 ======================= Grid point 77 (34/129) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.155 15.837 20.190) 25.660 0.817 ( -4.461 18.574 21.067) 28.437 1.407 ( -0.194 33.196 32.230) 46.269 1.799 ( 3.090 -14.282 5.844) 15.738 2.124 ( 0.638 -15.652 -4.148) 16.205 2.299 ( 0.451 0.156 1.284) 1.370 2.389 ( -0.235 4.499 -5.926) 7.444 2.426 ( -4.793 6.004 6.381) 9.987 2.673 ( 4.208 11.385 3.372) 12.597 2.909 ( 0.802 -3.429 2.583) 4.367 3.311 ( -2.804 -5.608 -1.288) 6.400 3.360 ( -3.625 -1.679 -3.471) 5.292 3.461 ( 0.133 -4.993 1.756) 5.294 3.671 ( -2.150 3.957 3.646) 5.794 3.798 ( -2.372 10.486 -11.590) 15.809 3.939 ( 1.876 -11.841 -2.858) 12.325 4.016 ( -6.799 2.735 -0.100) 7.329 4.101 ( 2.388 -4.761 4.281) 6.833 4.290 ( -2.013 -0.478 -0.667) 2.174 4.441 ( 1.319 -3.534 4.567) 5.923 4.581 ( -4.765 0.690 4.842) 6.828 4.730 ( 5.556 4.378 5.208) 8.784 4.866 ( -4.809 3.520 4.844) 7.680 4.877 ( 4.906 -4.628 3.687) 7.686 5.103 ( 4.200 3.615 3.214) 6.406 5.359 ( 5.609 -3.279 -3.936) 7.597 5.604 ( -3.861 -3.401 2.235) 5.610 5.628 ( -5.553 -0.961 2.944) 6.358 6.204 ( 0.011 0.851 -5.285) 5.353 6.222 ( 7.111 -1.661 -6.887) 10.038 6.311 ( -4.554 2.090 -0.680) 5.056 6.498 ( -1.003 -2.033 -1.407) 2.668 6.805 ( 2.668 15.468 -18.050) 23.920 7.039 ( -1.302 -1.876 -5.211) 5.690 7.261 ( -3.945 1.486 -5.072) 6.595 7.387 ( -12.425 3.233 -14.493) 19.362 8.082 ( -3.377 2.009 -3.202) 5.069 8.106 ( 3.020 1.452 -3.174) 4.615 8.326 ( 8.688 0.698 -0.822) 8.755 8.397 ( 4.965 1.740 -1.693) 5.527 9.742 ( -0.235 0.408 1.962) 2.018 9.784 ( 0.913 0.481 2.724) 2.913 10.089 ( -0.208 -1.267 4.204) 4.395 10.226 ( 1.891 -8.924 8.748) 12.639 10.478 ( -3.914 -5.151 4.904) 8.118 10.559 ( 2.855 -1.386 0.284) 3.186 10.579 ( -0.986 0.158 0.600) 1.165 10.682 ( -1.520 -1.910 0.463) 2.485 11.601 ( 0.192 1.531 -0.687) 1.689 11.670 ( -0.304 3.440 -2.460) 4.240 11.899 ( 0.556 1.428 -6.649) 6.823 11.982 ( -1.683 1.965 -5.461) 6.043 14.730 ( 0.623 1.100 0.745) 1.467 14.853 ( 0.257 -2.275 -0.480) 2.339 14.912 ( -1.543 0.793 -0.166) 1.743 14.942 ( -1.754 0.412 0.471) 1.862 15.135 ( 1.273 0.980 2.143) 2.678 15.306 ( 1.069 2.284 -3.357) 4.198 15.418 ( -0.118 -0.389 -0.561) 0.693 15.448 ( 0.120 0.125 -0.226) 0.285 17.329 ( 0.209 -0.208 0.665) 0.727 17.404 ( -0.237 -2.662 0.087) 2.674 17.496 ( -8.414 -0.289 1.929) 8.637 17.526 ( -0.207 -0.351 0.134) 0.429 18.554 ( -2.422 5.222 -1.422) 5.930 18.757 ( -0.748 -1.612 -0.138) 1.782 18.952 ( 8.014 -3.323 6.240) 10.686 19.150 ( -0.069 -2.641 0.154) 2.646 27.832 ( 0.121 0.382 -2.302) 2.336 27.868 ( 0.309 -1.263 -0.660) 1.458 27.915 ( 0.100 0.591 1.112) 1.263 27.976 ( 1.886 -1.016 1.542) 2.639 29.093 ( 0.879 2.602 1.631) 3.194 29.291 ( 5.100 -3.759 6.074) 8.776 30.060 ( 36.586 5.273 -6.431) 37.519 30.216 ( -3.650 -1.291 -2.202) 4.454 30.344 ( 0.342 2.532 2.299) 3.437 30.569 ( -6.701 -2.528 0.914) 7.220 30.643 ( 6.665 -1.968 -0.170) 6.952 30.694 ( -9.191 -3.703 1.328) 9.997 31.214 ( -23.199 -12.494 19.382) 32.710 31.680 ( 2.189 -8.026 2.290) 8.628 33.215 ( -9.159 22.314 -19.942) 31.296 33.468 ( 1.310 3.987 -8.655) 9.619 ======================= Grid point 78 (35/129) ======================= q-point: ( 0.08 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.482 11.130 19.261) 23.171 1.101 ( 4.488 12.161 26.483) 29.485 1.743 ( 3.193 13.278 19.747) 24.009 1.967 ( 6.179 -9.939 6.370) 13.325 2.191 ( 5.579 -5.919 4.345) 9.221 2.313 ( 2.709 3.240 -5.443) 6.890 2.429 ( -2.158 5.719 4.708) 7.716 2.471 ( 14.710 -0.738 8.334) 16.922 2.779 ( 6.056 13.452 -3.168) 15.089 2.912 ( -0.949 -3.229 -2.206) 4.024 3.222 ( -9.697 -1.136 2.852) 10.171 3.282 ( 0.825 3.932 -0.011) 4.018 3.483 ( 0.531 -4.451 -0.016) 4.482 3.611 ( -1.816 6.027 -9.417) 11.327 3.687 ( -2.153 3.185 -0.554) 3.884 3.902 ( -3.177 -2.089 -1.461) 4.074 3.989 ( 1.330 -12.160 4.652) 13.088 4.129 ( -3.029 -1.746 1.501) 3.805 4.219 ( -5.642 -4.286 0.736) 7.123 4.449 ( -10.623 1.913 5.250) 12.002 4.484 ( -9.210 -5.517 6.266) 12.431 4.698 ( -15.132 5.986 0.727) 16.289 4.864 ( 1.354 0.777 8.043) 8.193 5.088 ( 11.526 0.458 4.968) 12.560 5.208 ( 0.086 -0.423 3.595) 3.621 5.388 ( 2.575 -0.731 -3.657) 4.532 5.528 ( -3.431 -1.256 -0.141) 3.656 5.645 ( 1.999 -5.993 3.479) 7.212 6.048 ( -6.466 1.139 -5.212) 8.383 6.178 ( -1.083 1.530 -4.678) 5.040 6.367 ( 7.141 -2.450 -3.945) 8.518 6.469 ( 0.789 -2.253 -2.909) 3.763 6.693 ( 4.479 12.507 -9.051) 16.075 6.959 ( -1.285 -1.376 -5.285) 5.610 7.117 ( -3.288 2.845 -14.730) 15.358 7.160 ( -1.778 4.023 -7.256) 8.485 8.074 ( 3.975 3.280 -2.505) 5.730 8.126 ( 3.223 2.337 -0.861) 4.073 8.377 ( 0.246 -1.528 -0.216) 1.562 8.518 ( 13.917 -3.839 -10.451) 17.822 9.788 ( 2.664 1.047 2.321) 3.685 9.838 ( 2.251 1.475 1.754) 3.213 10.138 ( -1.144 -1.753 5.779) 6.147 10.282 ( -2.192 -6.571 2.928) 7.520 10.461 ( -2.614 -2.584 2.766) 4.600 10.598 ( 2.330 0.756 -0.018) 2.449 10.616 ( 2.604 -2.517 0.243) 3.630 10.677 ( 1.015 -1.328 0.212) 1.685 11.592 ( -0.338 2.285 -0.752) 2.430 11.625 ( -1.303 4.876 -2.518) 5.641 11.808 ( -4.020 -0.056 -1.447) 4.272 11.886 ( -3.450 -0.536 -3.288) 4.796 14.757 ( 0.544 0.134 0.367) 0.670 14.838 ( -1.259 -0.847 -1.564) 2.179 14.875 ( -1.956 -0.917 0.068) 2.162 14.916 ( -2.186 -0.247 0.820) 2.347 15.180 ( 1.397 0.592 1.684) 2.267 15.292 ( 0.491 2.655 -0.793) 2.815 15.412 ( 0.235 -0.621 -0.558) 0.867 15.458 ( 0.862 0.380 0.316) 0.994 17.346 ( 0.746 -0.124 0.923) 1.193 17.401 ( -2.375 0.343 2.335) 3.348 17.421 ( -0.651 -0.339 -0.552) 0.918 17.524 ( -0.589 -1.100 0.682) 1.422 18.528 ( -1.217 4.438 1.518) 4.845 18.727 ( -1.287 0.028 -1.641) 2.086 19.057 ( 0.262 -4.197 3.516) 5.481 19.130 ( -2.134 -2.376 -0.471) 3.228 27.814 ( 0.230 0.095 -1.347) 1.370 27.858 ( -0.302 -0.972 -0.924) 1.375 27.922 ( -0.522 0.781 0.814) 1.243 27.998 ( 0.024 -1.108 0.579) 1.251 29.146 ( 2.275 4.509 2.736) 5.744 29.352 ( 0.789 1.662 -1.251) 2.224 30.043 ( -10.037 -1.074 -5.520) 11.505 30.332 ( -14.881 -7.001 7.756) 18.183 30.392 ( 10.255 -5.723 -1.564) 11.847 30.499 ( 1.130 -1.316 3.747) 4.129 30.708 ( 10.788 -0.446 -4.058) 11.534 30.807 ( 11.194 -1.792 -2.453) 11.599 31.303 ( 12.337 -4.189 5.999) 14.344 31.802 ( 8.327 -8.072 5.200) 12.710 32.903 ( -8.921 23.996 -7.223) 26.600 33.323 ( -6.773 1.789 -8.608) 11.098 ======================= Grid point 79 (36/129) ======================= q-point: ( 0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 10.191 6.807 16.974) 20.936 1.481 ( 6.656 11.890 23.052) 26.778 1.964 ( 5.176 -1.527 9.717) 11.115 2.108 ( 1.312 -6.934 4.964) 8.628 2.306 ( 1.537 0.339 5.626) 5.842 2.385 ( 9.605 1.584 -0.905) 9.777 2.519 ( 11.751 5.125 -0.820) 12.847 2.687 ( 3.738 8.168 -12.752) 15.598 2.762 ( 4.288 6.910 -5.360) 9.740 2.941 ( 6.662 2.239 -0.376) 7.038 3.136 ( -7.851 -1.068 10.694) 13.309 3.396 ( -0.882 0.170 8.946) 8.991 3.438 ( -4.100 1.028 -6.776) 7.986 3.542 ( 1.243 -1.301 5.499) 5.786 3.610 ( 2.099 1.312 -8.351) 8.710 3.860 ( -4.101 2.356 4.817) 6.751 3.966 ( -11.386 -11.543 0.711) 16.229 4.126 ( 2.917 1.590 -2.882) 4.398 4.223 ( -3.178 -1.980 9.755) 10.449 4.314 ( -7.480 1.540 5.201) 9.239 4.352 ( -10.295 1.789 2.280) 10.695 4.579 ( -3.813 -10.596 6.728) 13.118 4.935 ( -1.067 -1.196 4.508) 4.785 5.147 ( -9.348 -2.623 0.682) 9.733 5.261 ( 1.699 -0.221 2.676) 3.177 5.403 ( 5.088 2.005 -0.508) 5.493 5.512 ( 1.590 -0.946 -3.112) 3.620 5.745 ( 2.656 -6.660 7.609) 10.455 5.935 ( -2.879 4.638 -1.775) 5.741 6.092 ( -2.494 5.073 -4.579) 7.274 6.358 ( 2.144 -4.452 -10.274) 11.400 6.515 ( 6.004 -5.614 1.412) 8.340 6.715 ( 4.954 7.708 -2.847) 9.594 6.856 ( -2.149 4.265 -8.463) 9.717 6.959 ( -1.954 0.156 -5.995) 6.307 7.029 ( -1.629 2.186 -9.352) 9.741 8.118 ( 4.773 3.363 -2.582) 6.384 8.185 ( 4.435 1.496 -0.640) 4.724 8.371 ( 0.573 -0.920 -1.228) 1.638 8.558 ( 5.920 -4.107 -10.495) 12.730 9.871 ( 4.728 1.188 1.657) 5.149 9.891 ( 2.868 1.672 0.724) 3.398 10.164 ( -3.469 -1.814 4.782) 6.180 10.253 ( -3.232 -4.806 0.894) 5.861 10.471 ( 0.500 0.154 1.986) 2.054 10.625 ( 2.746 2.026 -1.983) 3.947 10.668 ( 3.496 -2.498 0.570) 4.334 10.716 ( 2.986 -0.795 0.268) 3.101 11.570 ( -1.284 3.800 -0.997) 4.133 11.593 ( -0.228 1.928 -0.888) 2.135 11.756 ( -3.095 -1.026 1.795) 3.722 11.795 ( -3.462 -1.812 -3.006) 4.930 14.760 ( -0.462 1.164 0.813) 1.493 14.783 ( -2.236 -0.005 -1.649) 2.778 14.846 ( -1.738 -1.571 -0.697) 2.444 14.901 ( -1.381 -0.637 1.461) 2.109 15.215 ( 1.300 -0.204 0.760) 1.520 15.300 ( 0.999 0.893 -0.125) 1.346 15.411 ( -0.025 -0.404 -0.139) 0.427 15.475 ( 0.359 0.599 0.628) 0.939 17.370 ( 1.023 -0.095 0.745) 1.269 17.400 ( -0.352 1.560 1.821) 2.423 17.433 ( 2.130 -1.821 -0.640) 2.874 17.527 ( -0.636 -1.549 1.740) 2.415 18.546 ( 0.077 3.609 3.144) 4.787 18.688 ( -1.131 1.198 -1.520) 2.242 19.066 ( -3.223 -3.089 0.390) 4.481 19.083 ( -1.996 -2.387 0.560) 3.161 27.808 ( 0.272 -0.000 -0.527) 0.593 27.841 ( -0.298 -0.521 -1.029) 1.192 27.917 ( -0.951 0.909 0.318) 1.353 28.000 ( -0.321 -1.005 0.272) 1.089 29.214 ( 2.169 5.574 2.483) 6.476 29.333 ( 0.272 3.996 -2.468) 4.705 29.810 ( -9.314 -0.351 -7.361) 11.877 30.166 ( -15.622 -6.431 8.301) 18.823 30.502 ( 5.470 -3.264 -0.782) 6.417 30.624 ( 8.512 -2.478 3.491) 9.528 30.799 ( 4.054 2.860 -0.212) 4.966 30.924 ( 8.222 -1.630 -4.032) 9.301 31.580 ( 21.003 -2.459 -7.278) 22.364 32.055 ( 12.401 -9.040 8.393) 17.491 32.749 ( -6.919 13.941 1.156) 15.606 33.083 ( -10.505 1.578 -8.479) 13.592 ======================= Grid point 80 (37/129) ======================= q-point: ( 0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 9.912 7.158 12.142) 17.231 1.791 ( 3.475 11.164 16.810) 20.476 2.081 ( -0.959 -3.172 2.586) 4.203 2.196 ( 1.606 1.802 8.538) 8.873 2.344 ( -0.033 -2.578 -4.657) 5.323 2.449 ( -0.045 2.606 -6.429) 6.938 2.626 ( 5.304 -0.942 -0.269) 5.393 2.642 ( 9.628 1.741 -7.624) 12.404 2.848 ( 7.308 3.924 -3.311) 8.931 2.925 ( -1.781 7.270 -6.496) 9.911 3.116 ( -10.015 -0.344 2.544) 10.339 3.251 ( -3.322 -1.753 -1.777) 4.155 3.449 ( -1.618 4.932 9.195) 10.559 3.551 ( 1.173 -0.528 -5.317) 5.471 3.704 ( -1.928 -4.535 1.139) 5.058 3.793 ( -4.163 -1.866 0.888) 4.648 3.899 ( 0.193 5.067 6.423) 8.183 4.021 ( -8.926 3.366 4.649) 10.612 4.204 ( -0.568 0.344 2.180) 2.279 4.349 ( 0.753 -8.611 5.856) 10.441 4.493 ( 11.361 -3.513 4.929) 12.873 4.644 ( -2.765 -8.936 11.300) 14.669 4.943 ( -0.812 -3.338 0.808) 3.530 4.990 ( -7.182 -0.938 -2.804) 7.767 5.281 ( 1.141 -2.147 1.923) 3.100 5.442 ( -0.663 1.458 -3.884) 4.201 5.516 ( 2.863 -0.892 0.977) 3.154 5.864 ( -0.215 5.245 -0.901) 5.326 5.907 ( 0.350 -2.196 7.683) 7.998 6.065 ( 1.782 6.664 4.265) 8.110 6.254 ( 1.758 -4.190 -12.641) 13.433 6.616 ( 1.955 -3.694 -0.655) 4.231 6.702 ( 1.690 5.661 -7.831) 9.810 6.791 ( 1.924 3.317 -3.968) 5.518 6.853 ( -2.149 0.002 -2.839) 3.561 6.968 ( -1.179 -0.959 1.973) 2.490 8.150 ( 3.320 1.736 -3.916) 5.420 8.242 ( 3.400 0.882 -0.662) 3.575 8.382 ( 1.192 0.102 0.890) 1.491 8.480 ( -2.092 -2.714 -7.990) 8.694 9.946 ( 3.531 0.991 0.301) 3.680 9.975 ( 5.731 0.524 1.186) 5.876 10.131 ( -4.821 -0.710 1.717) 5.166 10.224 ( -0.810 -2.726 0.072) 2.845 10.515 ( 2.194 1.218 1.626) 2.990 10.652 ( 3.581 1.670 -2.209) 4.527 10.729 ( 3.054 -2.102 0.644) 3.763 10.767 ( 2.708 -0.836 0.414) 2.864 11.539 ( -1.151 2.035 -0.775) 2.463 11.587 ( 0.151 2.277 -0.276) 2.298 11.710 ( -3.217 -2.139 -1.675) 4.210 11.742 ( -2.118 -0.950 2.020) 3.078 14.733 ( -1.483 -0.095 -0.964) 1.771 14.780 ( 0.719 1.496 1.208) 2.053 14.813 ( -1.320 -1.826 -0.247) 2.267 14.899 ( -0.798 0.469 1.508) 1.769 15.240 ( 1.242 -0.643 -0.036) 1.400 15.313 ( 1.152 -1.106 -0.820) 1.796 15.408 ( -0.547 -0.079 0.447) 0.711 15.479 ( -0.737 0.690 0.610) 1.180 17.397 ( 1.711 0.010 0.254) 1.729 17.421 ( 0.617 1.341 1.178) 1.888 17.469 ( 3.254 -1.788 -0.595) 3.760 17.542 ( -0.748 -1.613 2.701) 3.233 18.596 ( 0.974 2.692 3.782) 4.743 18.662 ( -0.567 2.362 -0.584) 2.499 18.986 ( -4.188 -1.943 -2.467) 5.235 19.059 ( -2.972 -2.951 0.734) 4.252 27.806 ( -0.118 -0.088 -0.402) 0.428 27.829 ( 0.037 -0.633 -0.781) 1.006 27.898 ( -1.327 1.367 -0.416) 1.949 27.993 ( -0.719 -1.020 -0.046) 1.249 29.252 ( 0.863 3.731 -0.755) 3.903 29.328 ( 1.029 6.094 0.537) 6.203 29.599 ( -6.389 0.944 -7.090) 9.591 30.023 ( -12.065 -4.600 5.400) 13.996 30.560 ( 3.221 -2.350 -0.771) 4.061 30.799 ( 8.822 -5.055 0.837) 10.202 30.847 ( 0.608 4.552 2.516) 5.236 31.007 ( 8.005 -0.644 -3.043) 8.588 31.800 ( 18.581 1.260 -9.203) 20.774 32.320 ( 7.947 -9.419 6.461) 13.915 32.697 ( -3.528 4.575 3.187) 6.598 32.839 ( -8.634 3.176 -3.957) 10.014 ======================= Grid point 81 (38/129) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 3.296 6.574 3.349) 8.081 1.923 ( -4.425 6.694 4.850) 9.376 2.060 ( -0.840 4.758 -0.562) 4.864 2.184 ( -6.863 5.138 -5.964) 10.444 2.310 ( -0.444 4.157 8.277) 9.273 2.339 ( -2.431 -1.946 -5.099) 5.975 2.629 ( -9.323 3.701 -8.119) 12.905 2.711 ( -1.495 -0.890 -5.295) 5.573 2.763 ( -1.772 -3.503 6.692) 7.758 2.893 ( 7.340 -6.491 0.363) 9.805 3.130 ( 7.951 7.211 -2.882) 11.114 3.224 ( -2.123 0.795 2.642) 3.481 3.417 ( -4.313 -0.410 -4.072) 5.945 3.557 ( 7.153 4.558 -6.373) 10.609 3.674 ( -2.078 0.757 6.786) 7.137 3.771 ( -3.309 0.711 2.171) 4.021 4.010 ( 5.105 2.182 3.713) 6.679 4.050 ( -1.938 -4.036 11.320) 12.173 4.216 ( -0.992 -1.701 1.224) 2.319 4.415 ( 0.619 -9.590 1.536) 9.731 4.621 ( -5.246 -4.717 5.900) 9.197 4.716 ( 1.484 1.436 3.034) 3.670 4.894 ( 0.180 -0.803 -2.108) 2.263 4.965 ( 6.052 -5.845 -3.898) 9.272 5.346 ( 3.224 -4.191 -3.474) 6.327 5.380 ( 1.548 -4.636 -1.715) 5.180 5.600 ( 2.228 6.315 6.232) 9.148 5.797 ( -1.116 7.670 -3.232) 8.397 6.027 ( 0.991 -4.704 6.367) 7.978 6.132 ( 0.572 -3.509 -7.635) 8.422 6.251 ( 8.222 7.291 8.657) 13.989 6.539 ( 0.417 4.539 -8.186) 9.370 6.684 ( -2.508 0.158 -4.214) 4.907 6.695 ( -1.108 1.408 -2.583) 3.144 6.885 ( -2.218 -3.218 5.173) 6.484 7.020 ( 2.323 -0.901 5.749) 6.266 8.139 ( 1.394 -0.265 -4.055) 4.296 8.253 ( 0.471 -0.725 -5.720) 5.785 8.354 ( -5.157 1.339 -0.191) 5.332 8.427 ( 0.476 0.112 4.405) 4.432 10.004 ( 2.622 0.102 0.722) 2.722 10.039 ( -1.312 -0.999 -0.219) 1.664 10.104 ( 3.534 1.638 0.297) 3.906 10.225 ( 0.979 -1.406 -0.475) 1.778 10.568 ( 2.176 1.630 1.214) 2.977 10.685 ( 3.479 1.228 -2.127) 4.259 10.772 ( 1.902 -1.466 -0.004) 2.402 10.813 ( 1.640 -1.392 1.647) 2.709 11.517 ( -0.724 0.933 -0.334) 1.227 11.589 ( 0.282 2.593 -0.103) 2.610 11.654 ( -1.922 -2.249 -0.933) 3.102 11.731 ( -2.012 -0.589 1.760) 2.737 14.709 ( -0.582 -0.894 -0.477) 1.169 14.798 ( -0.324 2.010 0.826) 2.197 14.811 ( 0.596 -2.085 0.868) 2.336 14.913 ( 0.298 1.197 1.696) 2.097 15.254 ( 1.131 -0.618 -0.682) 1.458 15.316 ( 1.008 -2.173 -1.734) 2.957 15.404 ( -0.919 0.125 0.900) 1.292 15.468 ( -1.367 0.748 0.633) 1.682 17.427 ( 1.937 0.290 -0.189) 1.968 17.443 ( 0.864 1.057 0.692) 1.530 17.519 ( 3.606 -1.750 -0.718) 4.072 17.558 ( -1.389 -1.567 2.915) 3.589 18.645 ( 0.412 2.233 1.545) 2.746 18.661 ( 0.401 3.041 1.546) 3.435 18.891 ( -3.397 -1.669 -3.030) 4.848 19.006 ( -3.467 -2.982 -0.488) 4.599 27.790 ( -0.934 0.065 -0.926) 1.317 27.825 ( 0.130 -0.988 -0.163) 1.010 27.876 ( -0.211 1.643 -0.597) 1.761 27.974 ( -1.319 -1.004 -0.453) 1.719 29.240 ( 0.266 2.702 -1.891) 3.308 29.362 ( 1.201 5.619 1.227) 5.875 29.460 ( -2.997 2.582 -4.038) 5.653 29.903 ( -8.725 -3.008 2.975) 9.697 30.592 ( 1.859 -2.150 -0.548) 2.895 30.870 ( 1.672 6.560 -0.709) 6.807 30.907 ( 3.185 -8.622 0.707) 9.219 31.108 ( 6.526 0.741 -0.935) 6.634 31.980 ( 14.705 2.668 -5.485) 15.920 32.399 ( -0.957 -7.457 -1.355) 7.640 32.616 ( -5.862 4.563 1.014) 7.498 32.851 ( 3.451 -2.118 6.487) 7.647 ======================= Grid point 82 (39/129) ======================= q-point: ( 0.42 0.20 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -5.120 4.975 -6.618) 9.734 1.861 ( -2.362 6.240 -0.119) 6.673 2.014 ( -0.384 7.335 -1.352) 7.468 2.154 ( -1.419 12.480 2.466) 12.800 2.251 ( -3.337 -5.856 -2.414) 7.159 2.349 ( -4.300 -4.574 -1.990) 6.585 2.434 ( -4.224 6.253 6.632) 10.047 2.613 ( -5.756 4.591 0.442) 7.376 2.784 ( -2.552 -2.888 2.323) 4.500 3.015 ( 5.218 -3.651 0.200) 6.372 3.217 ( 7.203 4.235 -5.414) 9.957 3.246 ( 1.741 5.005 0.928) 5.379 3.407 ( 5.978 -2.419 -1.169) 6.554 3.585 ( 6.877 -2.783 -7.569) 10.598 3.688 ( -7.535 2.234 7.104) 10.594 3.736 ( -1.676 1.136 -1.130) 2.319 4.086 ( -6.725 -7.212 9.614) 13.772 4.150 ( 3.820 0.555 2.370) 4.529 4.219 ( 1.204 -5.848 0.055) 5.971 4.396 ( -1.188 -2.828 -2.086) 3.709 4.558 ( -7.813 -1.001 3.515) 8.626 4.706 ( -2.559 5.524 -0.983) 6.166 4.890 ( -1.121 -0.917 0.425) 1.509 5.054 ( 11.241 -6.251 -7.961) 15.127 5.329 ( 3.716 -9.902 -4.324) 11.426 5.424 ( 2.513 -5.642 -0.594) 6.205 5.657 ( -1.966 9.239 1.013) 9.500 5.811 ( 5.585 7.859 -1.350) 9.735 6.034 ( 0.828 -3.034 -6.049) 6.818 6.075 ( 0.908 -1.974 -4.139) 4.675 6.454 ( 1.030 1.628 -2.461) 3.125 6.539 ( 4.614 2.479 9.800) 11.112 6.589 ( -3.893 -0.042 2.243) 4.493 6.683 ( -0.635 0.541 0.882) 1.214 6.886 ( -5.199 1.572 7.438) 9.210 7.118 ( 2.466 -1.376 3.037) 4.147 8.117 ( 0.896 -1.509 -2.986) 3.463 8.153 ( -1.784 -1.416 -4.566) 5.103 8.329 ( -1.878 3.821 2.976) 5.195 8.482 ( -1.730 -0.452 6.613) 6.850 9.992 ( -1.838 0.945 0.287) 2.087 10.057 ( 1.848 -0.604 0.406) 1.986 10.173 ( 3.491 0.650 -0.419) 3.576 10.235 ( 1.095 -0.739 -0.903) 1.601 10.605 ( 0.996 1.812 0.746) 2.198 10.711 ( 2.587 0.960 -2.043) 3.433 10.795 ( 0.915 -1.195 0.299) 1.535 10.849 ( 0.145 -1.658 1.978) 2.586 11.509 ( -0.272 0.484 0.236) 0.604 11.592 ( 0.248 2.426 -0.236) 2.450 11.629 ( -0.627 -2.194 0.038) 2.283 11.716 ( -1.682 -0.249 0.826) 1.890 14.703 ( -0.021 -1.065 0.377) 1.130 14.803 ( 0.017 1.535 0.517) 1.620 14.823 ( -0.388 -1.411 0.741) 1.640 14.938 ( 0.177 0.762 1.275) 1.496 15.262 ( 1.070 -0.517 -0.942) 1.516 15.310 ( 1.100 -2.070 -2.261) 3.257 15.400 ( -0.967 0.223 1.158) 1.525 15.454 ( -1.261 0.716 0.717) 1.618 17.452 ( 1.568 0.309 -0.601) 1.708 17.462 ( 0.670 0.694 0.426) 1.054 17.550 ( -0.818 -1.523 0.695) 1.863 17.568 ( 1.150 -1.396 0.474) 1.870 18.650 ( -0.048 3.368 -0.459) 3.400 18.685 ( -0.300 1.987 0.940) 2.218 18.828 ( -0.856 -1.714 -1.591) 2.491 18.951 ( -2.093 -2.940 -0.745) 3.685 27.767 ( -0.479 0.597 -0.411) 0.868 27.826 ( -0.148 -0.823 0.194) 0.858 27.883 ( 1.446 0.744 -0.235) 1.643 27.943 ( -1.567 -0.789 -0.717) 1.895 29.231 ( 0.652 2.703 -0.913) 2.927 29.386 ( 1.245 2.396 0.365) 2.725 29.408 ( -1.075 5.224 -0.721) 5.382 29.816 ( -5.313 -2.024 1.539) 5.890 30.611 ( 1.021 -2.155 -0.207) 2.393 30.875 ( 0.783 6.107 -2.060) 6.492 30.945 ( 1.302 -8.176 0.554) 8.297 31.169 ( 3.022 0.957 -2.046) 3.772 32.154 ( 10.734 1.155 0.433) 10.805 32.342 ( -1.488 -3.659 -1.935) 4.399 32.576 ( -3.424 4.368 2.914) 6.269 32.951 ( 0.610 -4.978 3.416) 6.068 ======================= Grid point 83 (40/129) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 3.356 2.387 -1.504) 4.384 1.885 ( 1.733 6.728 1.969) 7.221 2.021 ( 2.456 7.268 0.842) 7.718 2.096 ( -1.984 5.850 -5.192) 8.069 2.229 ( 0.523 -3.505 4.272) 5.550 2.280 ( 0.362 0.141 -2.454) 2.485 2.523 ( 0.921 10.278 8.764) 13.538 2.560 ( -2.171 4.260 3.147) 5.724 2.783 ( 0.440 -0.079 1.454) 1.522 3.050 ( 0.853 1.864 -1.980) 2.850 3.219 ( -4.971 -0.288 -0.756) 5.037 3.264 ( 6.874 5.819 -8.328) 12.266 3.457 ( -0.114 -4.711 -0.437) 4.732 3.594 ( -9.676 -1.063 2.210) 9.982 3.638 ( 6.490 -6.707 -4.151) 10.214 3.716 ( 3.140 -1.326 -2.350) 4.140 4.046 ( -8.878 -5.328 6.426) 12.186 4.158 ( -2.722 -4.323 -2.475) 5.676 4.234 ( 0.803 -4.612 -1.520) 4.922 4.380 ( -0.960 6.462 0.847) 6.588 4.463 ( -6.209 -2.642 0.544) 6.770 4.661 ( 0.428 5.891 -2.406) 6.378 4.872 ( -0.034 -0.432 -0.884) 0.985 5.094 ( 4.176 -6.505 -7.885) 11.042 5.363 ( 3.957 -6.956 -1.795) 8.201 5.441 ( 0.042 -7.066 -0.186) 7.069 5.582 ( -3.290 6.463 -6.196) 9.539 5.840 ( 0.970 1.598 -2.964) 3.505 5.989 ( -0.175 -2.518 -6.116) 6.617 6.056 ( 0.814 0.639 -1.194) 1.580 6.386 ( 4.225 4.746 -6.341) 8.976 6.556 ( -5.012 3.514 0.880) 6.184 6.687 ( -1.860 -3.988 9.374) 10.356 6.781 ( 5.002 0.028 9.827) 11.027 6.888 ( -4.897 4.561 7.698) 10.200 7.147 ( -2.883 -1.515 1.474) 3.575 8.101 ( 2.398 -0.608 -2.124) 3.260 8.155 ( 4.208 0.364 -1.262) 4.408 8.356 ( -0.035 1.984 5.647) 5.985 8.514 ( -3.786 -1.037 6.800) 7.852 9.988 ( 0.036 1.369 1.170) 1.801 10.076 ( -0.180 -0.726 0.627) 0.976 10.187 ( -0.362 0.661 -1.582) 1.752 10.239 ( 0.702 -0.608 -0.983) 1.352 10.614 ( -0.757 1.937 0.429) 2.124 10.720 ( 1.381 0.994 -1.959) 2.594 10.812 ( 0.293 -1.281 1.131) 1.734 10.858 ( -1.519 -1.603 1.478) 2.657 11.513 ( 0.089 0.570 0.730) 0.930 11.590 ( 0.114 1.713 -0.479) 1.782 11.634 ( 0.414 -1.800 0.986) 2.094 11.699 ( -0.916 -0.054 -0.003) 0.918 14.715 ( 0.269 -0.948 1.312) 1.641 14.807 ( -0.285 2.382 0.315) 2.419 14.817 ( -0.812 -2.124 0.172) 2.281 14.936 ( -1.557 0.121 0.177) 1.571 15.267 ( 0.650 -0.438 -0.819) 1.134 15.305 ( 1.533 -1.647 -2.235) 3.171 15.401 ( -0.584 0.255 1.386) 1.525 15.445 ( -0.698 0.742 0.569) 1.167 17.458 ( 0.183 0.055 -0.926) 0.945 17.472 ( -0.059 0.449 0.263) 0.523 17.531 ( -1.848 -0.661 0.594) 2.051 17.582 ( 0.278 -1.783 -0.615) 1.907 18.637 ( -0.016 3.006 -1.224) 3.245 18.667 ( -1.727 1.814 -1.051) 2.717 18.831 ( 1.859 -1.585 0.296) 2.461 18.931 ( 0.488 -2.770 -0.618) 2.879 27.774 ( 0.906 0.483 0.905) 1.368 27.826 ( -0.121 -0.659 0.284) 0.727 27.900 ( -0.190 0.133 -0.290) 0.371 27.922 ( 0.937 -0.413 -0.488) 1.135 29.242 ( 1.243 3.097 0.274) 3.349 29.375 ( -1.595 7.192 -1.572) 7.532 29.438 ( 2.912 -0.613 3.319) 4.458 29.767 ( -2.136 -1.945 0.036) 2.889 30.621 ( 0.230 -2.069 0.240) 2.096 30.847 ( -0.377 3.243 -3.318) 4.655 30.969 ( 0.662 -4.869 0.588) 4.949 31.168 ( 1.068 1.002 -3.178) 3.499 32.301 ( 1.222 -0.703 5.009) 5.204 32.364 ( 5.459 -1.865 3.151) 6.573 32.545 ( -3.104 4.423 1.024) 5.499 32.930 ( -4.686 -4.890 -1.314) 6.899 ======================= Grid point 84 (41/129) ======================= q-point: (-0.42 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.135 3.546 0.783) 4.797 1.843 ( -2.359 5.098 -5.310) 7.730 2.002 ( -2.214 6.527 -1.529) 7.059 2.143 ( 8.767 -1.027 -1.454) 8.946 2.283 ( -0.845 4.796 2.578) 5.510 2.361 ( 8.497 1.208 3.217) 9.165 2.542 ( -0.823 7.213 0.638) 7.288 2.715 ( 7.806 8.190 8.183) 13.963 2.840 ( 4.593 0.238 3.119) 5.557 3.040 ( 2.751 6.458 -4.350) 8.258 3.075 ( -8.883 -4.671 -1.933) 10.221 3.227 ( -0.583 7.853 -7.810) 11.091 3.430 ( -6.125 -8.390 4.798) 11.443 3.492 ( 0.069 -6.734 -3.151) 7.435 3.663 ( 2.190 -1.131 -1.055) 2.681 3.774 ( 5.844 -6.889 -4.347) 10.025 3.945 ( -8.954 -3.709 1.993) 9.895 4.067 ( -4.380 -1.690 -2.116) 5.150 4.211 ( 0.040 -1.892 -3.390) 3.882 4.288 ( -10.504 12.454 2.540) 16.489 4.414 ( -0.894 -8.143 -2.795) 8.656 4.661 ( 1.381 1.164 -2.174) 2.827 4.890 ( 2.974 0.985 -0.224) 3.140 5.001 ( -4.828 -6.589 -6.857) 10.665 5.337 ( -4.153 -5.818 -5.495) 9.017 5.448 ( 1.401 -3.136 -0.008) 3.435 5.496 ( 2.504 -0.555 -3.119) 4.038 5.781 ( -2.858 -5.836 -9.556) 11.557 5.891 ( -2.578 2.367 0.970) 3.632 6.060 ( -0.427 3.124 0.523) 3.196 6.454 ( -0.280 5.923 -1.537) 6.126 6.500 ( 8.146 5.001 -2.101) 9.787 6.770 ( -1.720 -5.024 10.504) 11.770 6.913 ( 0.579 2.404 7.122) 7.539 6.952 ( -1.902 -0.330 6.314) 6.602 7.069 ( -5.197 0.382 2.947) 5.986 8.140 ( 4.083 2.579 -1.459) 5.045 8.213 ( 4.410 2.405 -1.473) 5.235 8.479 ( 3.103 -2.484 9.371) 10.179 8.520 ( -2.897 -1.295 6.298) 7.052 10.004 ( -0.193 0.908 0.847) 1.257 10.069 ( -1.629 -0.711 0.920) 2.001 10.137 ( -3.015 1.235 -1.677) 3.665 10.228 ( -0.506 -0.906 -1.441) 1.776 10.591 ( -2.524 2.113 0.360) 3.312 10.712 ( 0.284 1.291 -1.762) 2.202 10.820 ( -2.069 -1.878 1.530) 3.185 10.843 ( -1.375 -0.828 1.070) 1.929 11.527 ( 0.412 1.173 0.919) 1.546 11.589 ( 0.390 1.464 -0.349) 1.554 11.656 ( 0.429 -1.532 0.830) 1.794 11.693 ( 0.617 -0.368 0.248) 0.760 14.740 ( 0.386 -0.559 2.097) 2.204 14.797 ( -1.108 1.975 0.200) 2.273 14.814 ( 0.033 -2.067 0.452) 2.116 14.900 ( -2.182 -0.047 -0.599) 2.263 15.261 ( -0.288 -0.219 -0.950) 1.017 15.308 ( 1.534 -1.668 -1.780) 2.882 15.408 ( -0.631 0.587 1.337) 1.591 15.446 ( 0.307 0.642 0.270) 0.761 17.438 ( -1.152 0.082 -0.931) 1.483 17.464 ( -1.471 0.429 0.461) 1.600 17.514 ( -0.847 -0.748 0.110) 1.136 17.562 ( -1.642 -1.995 -0.911) 2.740 18.608 ( -2.599 2.038 -1.944) 3.833 18.638 ( 0.879 2.506 -0.508) 2.704 18.882 ( 3.450 -1.955 0.654) 4.019 18.943 ( 2.116 -2.524 -1.610) 3.666 27.804 ( 0.922 -0.107 1.127) 1.460 27.830 ( 0.193 -0.823 0.535) 1.000 27.886 ( -0.326 0.833 -0.336) 0.955 27.944 ( 1.769 -0.634 -0.684) 2.000 29.273 ( 1.106 3.903 1.019) 4.183 29.325 ( -1.331 6.468 -2.272) 6.984 29.553 ( 4.525 -1.440 6.307) 7.895 29.738 ( 0.265 -2.533 -2.935) 3.886 30.623 ( -0.683 -1.808 0.654) 2.040 30.793 ( -1.101 1.448 -4.144) 4.526 30.965 ( -1.355 -1.082 -0.709) 1.873 31.149 ( 0.598 -0.232 -2.080) 2.177 32.361 ( -3.791 0.009 9.071) 9.831 32.408 ( -4.445 -0.443 -0.408) 4.486 32.606 ( 7.759 0.834 5.767) 9.704 32.788 ( -7.672 -2.887 -4.665) 9.431 ======================= Grid point 85 (42/129) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -14.464 8.698 -8.929) 19.094 1.737 ( -15.312 8.367 1.742) 17.535 1.964 ( 0.406 1.100 -1.874) 2.211 2.237 ( -1.142 -2.851 -1.311) 3.339 2.255 ( 0.251 1.255 -2.395) 2.716 2.469 ( 9.288 -2.725 -6.621) 11.728 2.572 ( -0.980 13.726 5.161) 14.697 2.860 ( -4.713 3.417 -10.656) 12.143 2.901 ( 5.769 5.241 5.564) 9.577 2.997 ( -7.108 -0.414 0.239) 7.124 3.079 ( 8.019 6.601 3.853) 11.078 3.124 ( 2.222 0.680 -5.841) 6.286 3.419 ( -2.789 -8.905 7.278) 11.834 3.508 ( 3.485 -7.466 0.127) 8.240 3.694 ( 2.196 1.935 -2.066) 3.583 3.780 ( 2.971 -5.002 -2.785) 6.450 3.871 ( -1.693 1.405 2.019) 2.986 3.984 ( -4.611 -2.113 1.250) 5.224 4.161 ( 0.806 0.307 -6.668) 6.723 4.193 ( -7.998 9.010 9.284) 15.210 4.343 ( -1.986 -7.508 -4.476) 8.964 4.601 ( -6.132 -3.429 -3.290) 7.758 4.850 ( -4.160 -5.078 -4.145) 7.764 4.938 ( 3.419 -1.212 -1.702) 4.007 5.204 ( -3.004 -6.988 -5.045) 9.128 5.460 ( 1.287 1.416 -1.088) 2.201 5.545 ( 3.209 -4.717 -0.087) 5.706 5.612 ( -1.966 -6.380 -10.162) 12.159 5.903 ( 0.317 3.755 2.376) 4.455 6.073 ( 1.016 3.537 2.225) 4.300 6.432 ( 0.418 1.432 0.478) 1.567 6.653 ( 9.502 6.582 -0.790) 11.586 6.783 ( -9.624 -2.644 1.984) 10.176 6.925 ( 0.049 -3.801 7.261) 8.196 7.015 ( 2.134 2.725 6.850) 7.675 7.152 ( 2.242 3.726 8.345) 9.410 8.183 ( 2.867 5.453 -0.738) 6.205 8.256 ( 1.759 1.648 0.040) 2.411 8.483 ( -4.744 -1.773 3.158) 5.968 8.708 ( 6.881 -5.044 10.377) 13.434 9.985 ( -2.684 0.647 -0.019) 2.761 10.026 ( -4.753 -0.463 -0.790) 4.841 10.088 ( -1.325 1.149 0.231) 1.769 10.193 ( -1.158 -1.343 -2.436) 3.013 10.546 ( -3.659 2.280 0.629) 4.357 10.691 ( -0.603 1.590 -1.503) 2.269 10.783 ( -3.585 -1.448 0.975) 3.988 10.835 ( -2.204 -0.557 1.473) 2.709 11.546 ( 0.824 2.238 0.785) 2.511 11.596 ( 0.689 1.614 0.070) 1.757 11.653 ( 0.162 -0.465 -1.119) 1.223 11.740 ( 2.894 -1.470 2.343) 4.004 14.772 ( 0.505 0.036 1.561) 1.641 14.783 ( -1.016 0.931 1.552) 2.075 14.832 ( 0.793 -1.706 1.795) 2.601 14.867 ( -0.811 -0.457 -0.613) 1.114 15.236 ( -1.017 0.158 -1.564) 1.872 15.306 ( 0.369 -1.418 -1.553) 2.135 15.412 ( -0.260 1.182 0.946) 1.536 15.459 ( 0.614 0.227 0.268) 0.708 17.406 ( -1.762 -0.014 -0.552) 1.846 17.440 ( -2.220 0.552 0.889) 2.454 17.501 ( -0.903 -1.529 -0.319) 1.804 17.519 ( -2.049 -1.755 -0.707) 2.789 18.544 ( -2.314 2.988 -1.698) 4.143 18.663 ( 1.749 1.355 0.999) 2.427 18.930 ( 2.463 -3.038 -2.699) 4.752 18.966 ( 3.712 -1.817 -1.010) 4.255 27.823 ( 0.203 -0.351 0.989) 1.069 27.840 ( 0.227 -1.044 0.263) 1.101 27.886 ( 0.639 1.182 -0.381) 1.397 27.956 ( 1.237 -0.781 -1.515) 2.106 29.247 ( -2.280 5.342 -2.170) 6.201 29.335 ( 1.954 4.800 1.292) 5.341 29.693 ( 2.469 -3.175 -4.075) 5.726 29.722 ( 5.309 -2.207 4.149) 7.090 30.609 ( -2.017 -1.251 0.195) 2.382 30.716 ( -2.552 0.590 -4.420) 5.138 30.914 ( -3.406 2.565 -0.798) 4.338 31.142 ( -0.140 -2.291 0.013) 2.295 32.241 ( -11.182 -1.370 -2.453) 11.529 32.375 ( -10.789 -4.866 4.915) 12.816 32.653 ( -0.609 5.047 1.346) 5.259 32.844 ( 10.739 -0.796 7.023) 12.857 ======================= Grid point 86 (43/129) ======================= q-point: (-0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -18.724 10.721 -9.558) 23.598 1.414 ( -23.454 10.605 -0.849) 25.754 1.928 ( -9.496 4.272 0.179) 10.414 2.090 ( -7.061 -9.621 1.083) 11.983 2.288 ( 2.523 -4.206 -3.585) 6.075 2.464 ( 0.408 -0.061 -6.605) 6.618 2.532 ( -13.776 15.775 -5.406) 21.630 2.645 ( -1.536 8.997 -4.766) 10.297 2.864 ( -1.480 1.236 -6.325) 6.612 2.985 ( -2.263 -0.760 0.745) 2.500 3.105 ( 0.720 -2.197 4.834) 5.359 3.221 ( 4.603 1.882 0.862) 5.047 3.527 ( 2.819 -4.350 4.587) 6.921 3.591 ( -2.788 -4.966 8.018) 9.835 3.692 ( 4.438 -0.753 0.826) 4.577 3.821 ( 2.815 -0.298 -3.128) 4.219 3.929 ( 6.831 9.491 -0.130) 11.695 3.986 ( -0.572 -7.167 7.906) 10.686 4.152 ( 4.838 0.157 -1.497) 5.067 4.236 ( -0.039 4.624 7.421) 8.744 4.284 ( 2.221 -4.519 -2.809) 5.766 4.432 ( -9.520 -3.797 -0.454) 10.259 4.763 ( -2.175 -2.609 -4.816) 5.894 4.955 ( 3.482 -4.530 -4.356) 7.185 5.141 ( 1.247 -6.904 -5.110) 8.680 5.431 ( -2.346 1.337 -3.202) 4.189 5.533 ( 2.888 -5.641 -4.340) 7.681 5.576 ( 1.344 -3.498 -0.577) 3.792 5.959 ( 2.217 0.971 3.877) 4.570 6.135 ( 3.265 1.257 1.502) 3.808 6.459 ( 1.950 0.299 -0.100) 1.976 6.625 ( -6.995 -1.259 -0.941) 7.170 6.789 ( 4.563 11.529 1.631) 12.506 7.018 ( -0.108 -3.275 6.565) 7.338 7.144 ( 4.608 0.817 6.816) 8.268 7.296 ( 4.435 3.459 8.033) 9.806 8.215 ( 0.449 6.050 1.711) 6.304 8.258 ( -1.932 1.917 0.040) 2.722 8.428 ( -4.137 -1.747 -0.228) 4.497 8.912 ( 4.669 -9.436 8.250) 13.375 9.925 ( -4.578 0.416 -0.724) 4.653 9.926 ( -5.787 0.386 -0.420) 5.815 10.074 ( -0.990 0.192 -0.063) 1.010 10.135 ( -1.371 -1.379 -4.476) 4.881 10.496 ( -3.735 2.176 1.276) 4.507 10.659 ( -1.385 1.084 -1.428) 2.266 10.739 ( -3.298 -0.374 1.191) 3.527 10.795 ( -4.510 -0.063 1.114) 4.646 11.570 ( 1.327 2.742 0.285) 3.059 11.614 ( 1.222 3.509 1.005) 3.850 11.653 ( 1.929 0.166 -1.422) 2.402 11.824 ( 3.820 -1.212 2.615) 4.785 14.776 ( 0.007 -0.651 0.975) 1.172 14.822 ( 1.395 0.715 2.232) 2.727 14.858 ( 0.032 -1.738 -0.029) 1.739 14.877 ( 0.951 -1.320 3.582) 3.934 15.194 ( -1.458 0.774 -2.443) 2.949 15.286 ( -0.347 0.225 -1.581) 1.634 15.424 ( 0.309 0.630 0.867) 1.115 15.467 ( 0.032 0.354 0.220) 0.418 17.372 ( -1.917 -0.301 -0.211) 1.952 17.421 ( -2.220 0.871 2.520) 3.469 17.466 ( -1.914 -2.722 -0.848) 3.434 17.501 ( -0.177 -0.885 0.029) 0.904 18.508 ( -0.836 3.807 -0.066) 3.898 18.708 ( 1.689 -0.037 1.640) 2.354 18.902 ( 1.113 -2.225 -6.664) 7.113 19.025 ( 4.095 -2.501 -0.480) 4.822 27.839 ( 0.226 -0.543 1.375) 1.495 27.846 ( 0.502 -0.893 -0.099) 1.029 27.888 ( 0.541 0.957 -1.132) 1.578 27.950 ( 0.827 -0.749 -2.505) 2.742 29.185 ( -2.413 4.246 -2.131) 5.329 29.373 ( 0.489 3.254 0.643) 3.353 29.637 ( 4.384 -0.102 -11.907) 12.689 29.896 ( 6.359 -3.338 6.891) 9.953 30.545 ( -4.465 0.637 -2.774) 5.295 30.625 ( -4.380 -0.651 -1.234) 4.597 30.855 ( -3.167 4.151 -0.115) 5.222 31.134 ( -2.661 -3.130 1.760) 4.469 31.986 ( -13.481 -2.489 -6.731) 15.272 32.178 ( -16.137 -11.727 2.565) 20.113 32.783 ( 6.461 11.887 10.146) 16.911 33.102 ( 11.751 -0.838 6.007) 13.224 ======================= Grid point 87 (44/129) ======================= q-point: (-0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -18.637 13.757 -3.699) 23.458 1.040 ( -21.471 16.982 0.569) 27.381 1.577 ( -29.347 20.556 0.685) 35.837 2.036 ( -7.123 -16.301 0.712) 17.804 2.245 ( -2.070 -10.545 -3.556) 11.319 2.328 ( -4.379 8.412 0.384) 9.492 2.411 ( -1.736 -1.048 -2.260) 3.036 2.565 ( -2.460 6.704 1.277) 7.254 2.685 ( -10.548 11.071 -4.813) 16.031 2.963 ( -2.147 -10.485 -4.978) 11.804 3.231 ( 7.761 3.188 9.180) 12.436 3.352 ( 6.375 0.578 3.104) 7.114 3.480 ( -9.246 -10.551 1.461) 14.105 3.578 ( -0.936 -0.120 1.477) 1.753 3.831 ( 0.255 3.120 2.326) 3.900 3.866 ( 6.483 0.548 3.177) 7.241 3.985 ( 2.378 8.032 -3.500) 9.079 4.148 ( 9.760 -5.929 5.518) 12.683 4.198 ( -0.484 -4.539 -4.532) 6.432 4.279 ( 6.061 -1.921 5.386) 8.333 4.357 ( -1.651 1.879 4.917) 5.516 4.472 ( 10.200 7.097 5.574) 13.619 4.649 ( -3.748 -0.919 -5.516) 6.731 4.955 ( 2.888 -6.673 -5.641) 9.203 5.102 ( 0.041 -5.673 -3.477) 6.654 5.365 ( 0.393 -1.596 -5.038) 5.299 5.562 ( 2.444 -1.656 1.512) 3.317 5.595 ( 0.490 -3.364 1.582) 3.750 6.047 ( 4.052 -1.105 2.261) 4.769 6.190 ( 2.936 -0.671 -0.918) 3.149 6.473 ( 0.671 0.454 -2.193) 2.338 6.537 ( -4.021 0.169 1.520) 4.302 6.851 ( 3.252 15.013 -1.331) 15.419 7.070 ( -0.027 -1.695 3.124) 3.554 7.288 ( 4.133 -2.273 4.980) 6.859 7.469 ( 5.845 1.709 7.620) 9.754 8.189 ( -5.563 2.521 -1.330) 6.251 8.241 ( -1.170 5.589 4.217) 7.099 8.354 ( -2.591 -1.552 -3.125) 4.346 8.991 ( -2.676 -17.851 -1.594) 18.120 9.828 ( -5.631 0.130 0.299) 5.640 9.842 ( -4.768 0.227 -1.175) 4.916 10.037 ( -2.289 0.157 -3.391) 4.094 10.070 ( -1.034 0.049 -0.333) 1.088 10.461 ( -2.844 1.432 2.178) 3.858 10.615 ( -1.976 -0.246 -1.521) 2.505 10.692 ( -4.797 0.088 0.711) 4.850 10.735 ( -3.742 0.404 1.471) 4.041 11.590 ( 1.138 1.526 -0.312) 1.929 11.664 ( 1.619 0.397 1.253) 2.086 11.700 ( 7.734 10.045 -0.599) 12.692 11.909 ( 3.436 -0.226 1.776) 3.874 14.802 ( 1.105 -1.779 1.619) 2.647 14.837 ( -0.277 -3.546 -1.716) 3.949 14.882 ( 1.426 0.545 1.710) 2.292 14.934 ( -0.079 -1.423 4.611) 4.826 15.139 ( -1.429 1.850 -2.770) 3.625 15.274 ( 1.233 1.955 -1.185) 2.597 15.433 ( -0.027 0.225 0.205) 0.305 15.467 ( -0.424 0.577 0.389) 0.815 17.343 ( -1.511 -0.420 0.030) 1.569 17.430 ( -1.856 -3.246 1.074) 3.890 17.446 ( -0.487 0.985 5.481) 5.590 17.506 ( 0.580 -0.560 0.200) 0.830 18.522 ( 1.250 4.860 2.465) 5.591 18.740 ( 0.343 -2.412 -0.199) 2.445 18.824 ( 0.315 1.051 -8.199) 8.273 19.081 ( 3.619 -2.876 -0.409) 4.641 27.852 ( 0.772 -0.642 -0.729) 1.241 27.864 ( 0.602 -0.438 1.926) 2.065 27.879 ( 0.575 0.664 -1.975) 2.161 27.928 ( 0.465 -0.304 -2.921) 2.973 29.127 ( -2.249 2.808 -1.310) 3.829 29.319 ( -3.887 -2.383 -6.537) 7.970 29.611 ( 8.577 10.431 -9.496) 16.509 30.072 ( 6.755 -3.677 5.609) 9.519 30.430 ( -5.341 1.968 -2.243) 6.118 30.544 ( -4.472 -1.351 -0.554) 4.704 30.811 ( -2.322 4.476 -0.049) 5.043 31.063 ( -10.152 -2.338 1.736) 10.562 31.718 ( -8.218 -4.980 -7.349) 12.097 31.934 ( -21.594 -20.295 6.861) 30.418 33.066 ( 13.275 13.859 11.719) 22.486 33.333 ( 10.717 0.624 2.271) 10.972 ======================= Grid point 88 (45/129) ======================= q-point: (-0.08 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -8.708 20.144 11.623) 24.834 0.796 ( -14.708 22.547 9.753) 28.632 1.233 ( -19.506 34.587 17.532) 43.406 1.848 ( -11.502 -15.407 -1.299) 19.271 2.177 ( -1.584 -12.370 -2.252) 12.673 2.313 ( -1.323 1.204 0.138) 1.794 2.392 ( -3.601 -0.011 6.489) 7.421 2.492 ( -3.260 13.567 -5.362) 14.948 2.609 ( 0.487 4.246 3.104) 5.282 2.880 ( -1.038 -4.368 -0.865) 4.573 3.363 ( -4.439 -12.089 1.829) 13.007 3.398 ( -1.373 -7.097 3.622) 8.085 3.449 ( 3.048 0.390 -1.050) 3.248 3.626 ( 2.597 6.241 4.334) 8.030 3.890 ( 1.375 0.360 2.724) 3.073 3.928 ( 0.794 6.344 -2.389) 6.825 3.976 ( 7.019 -3.535 -4.776) 9.197 4.140 ( -4.850 -1.543 0.353) 5.101 4.312 ( 4.023 2.489 -1.339) 4.916 4.380 ( -0.660 1.362 1.534) 2.156 4.474 ( 6.598 0.363 7.462) 9.968 4.552 ( 6.266 3.667 1.240) 7.365 4.735 ( 8.120 4.827 6.402) 11.412 4.904 ( -3.434 -9.543 -2.252) 10.389 5.080 ( -0.491 -1.128 -0.199) 1.246 5.333 ( 3.382 -3.717 -5.366) 7.351 5.612 ( -0.760 -1.724 2.594) 3.206 5.638 ( -0.765 -0.898 5.919) 6.035 6.132 ( 7.077 -0.993 -2.500) 7.571 6.212 ( 2.782 0.616 -2.770) 3.973 6.424 ( -3.066 0.947 -2.757) 4.231 6.521 ( -1.491 -1.362 1.367) 2.438 6.873 ( 6.248 15.466 -8.387) 18.671 7.084 ( 0.194 -0.981 -1.116) 1.499 7.351 ( 0.233 -3.324 -1.796) 3.786 7.626 ( 3.116 -5.372 2.370) 6.647 8.084 ( -2.753 1.887 -2.220) 4.009 8.274 ( -0.546 5.946 1.912) 6.270 8.283 ( -2.484 -2.328 -2.173) 4.039 8.627 ( -22.787 -9.941 -25.224) 35.416 9.759 ( -3.746 0.015 0.815) 3.834 9.770 ( -2.588 -0.202 1.014) 2.787 10.039 ( 0.579 -1.928 7.003) 7.287 10.079 ( 0.093 -1.218 5.434) 5.570 10.459 ( -1.642 -0.841 4.015) 4.418 10.567 ( -1.685 -1.036 -1.533) 2.502 10.618 ( -4.502 0.350 0.666) 4.565 10.705 ( -2.489 -1.075 1.247) 2.984 11.601 ( 0.747 1.362 -0.505) 1.633 11.684 ( 0.978 0.738 -1.000) 1.582 11.874 ( 12.769 8.722 -4.191) 16.022 11.972 ( 3.942 2.180 0.234) 4.511 14.775 ( -4.275 -2.878 -1.852) 5.476 14.839 ( 1.605 -2.077 0.256) 2.638 14.915 ( 0.857 0.901 0.409) 1.309 14.958 ( -1.246 -0.079 1.367) 1.851 15.108 ( -0.145 1.667 0.356) 1.711 15.301 ( 3.623 1.349 -2.122) 4.410 15.428 ( -0.148 0.351 -0.752) 0.843 15.459 ( -0.797 0.269 -0.126) 0.851 17.327 ( -0.683 -0.344 0.294) 0.819 17.412 ( -0.614 -3.118 -0.272) 3.190 17.516 ( 0.548 -0.306 0.814) 1.028 17.542 ( -1.622 -3.750 8.551) 9.477 18.627 ( 4.500 5.136 0.760) 6.871 18.672 ( -0.501 -0.369 1.218) 1.368 18.794 ( 1.914 3.609 -1.103) 4.231 19.129 ( 2.371 -2.824 0.073) 3.688 27.858 ( 1.116 0.559 -1.243) 1.761 27.860 ( 0.580 0.234 -2.261) 2.346 27.895 ( 0.837 -0.116 0.914) 1.245 27.920 ( 1.177 0.631 0.927) 1.626 29.091 ( -1.103 2.155 -0.302) 2.440 29.177 ( -2.756 -0.049 -0.764) 2.860 29.704 ( 16.062 18.479 -7.355) 25.565 30.217 ( 3.671 -3.069 2.850) 5.569 30.350 ( -2.963 2.404 0.590) 3.861 30.501 ( 1.675 -1.682 -0.467) 2.420 30.764 ( -4.483 2.144 -1.029) 5.074 30.852 ( -14.526 -0.545 -0.133) 14.537 31.518 ( -22.217 -20.778 4.795) 30.795 31.689 ( -12.293 -14.481 6.561) 20.096 33.377 ( 9.388 4.122 0.935) 10.296 33.471 ( 11.438 7.755 -10.266) 17.215 ======================= Grid point 89 (46/129) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.828 19.478 12.815) 23.330 1.235 ( -5.220 21.844 7.319) 23.622 1.469 ( 3.395 -17.574 8.646) 19.877 1.694 ( -1.595 -21.203 -0.823) 21.278 2.087 ( 3.936 22.019 11.780) 25.280 2.287 ( 1.301 -3.235 -0.210) 3.493 2.498 ( -2.955 15.960 6.751) 17.579 2.628 ( -3.863 9.855 3.964) 11.303 2.806 ( -1.832 -6.929 5.439) 8.997 2.943 ( 7.661 9.950 5.812) 13.838 3.009 ( -5.303 -18.869 10.936) 22.445 3.240 ( 1.003 -12.628 6.130) 14.073 3.465 ( -0.481 5.061 -8.017) 9.493 3.607 ( -1.124 -9.576 -8.329) 12.741 3.870 ( 0.102 7.905 1.664) 8.079 4.002 ( -2.496 1.775 -1.820) 3.563 4.017 ( -0.303 1.075 -8.838) 8.908 4.072 ( -5.107 1.386 -7.374) 9.076 4.301 ( -4.149 1.485 -2.385) 5.011 4.359 ( -2.979 -4.103 1.549) 5.302 4.596 ( 0.960 1.462 7.580) 7.779 4.691 ( 2.961 -7.816 6.491) 10.583 4.945 ( 9.716 10.785 2.900) 14.803 4.986 ( -0.547 6.870 4.127) 8.033 5.095 ( 0.658 -3.368 5.294) 6.309 5.226 ( 5.529 -10.434 -0.369) 11.815 5.572 ( -6.010 1.249 2.149) 6.503 5.608 ( -5.643 -1.366 2.226) 6.218 6.196 ( 3.655 -0.486 -8.366) 9.143 6.203 ( 0.796 -0.797 -6.896) 6.987 6.372 ( -2.232 3.704 -0.689) 4.379 6.444 ( -1.073 -3.304 -1.309) 3.712 6.949 ( -0.281 3.220 -9.704) 10.228 7.002 ( -0.988 -2.225 -7.255) 7.652 7.323 ( -0.687 3.891 -5.784) 7.005 7.390 ( -4.507 -2.280 -9.461) 10.725 8.123 ( 1.657 1.308 -3.341) 3.952 8.127 ( 4.362 0.620 -3.281) 5.493 8.350 ( 0.250 1.967 -1.058) 2.247 8.394 ( 0.242 -1.795 -2.217) 2.863 9.758 ( 0.296 1.107 3.021) 3.231 9.780 ( 0.982 -0.881 3.860) 4.079 10.068 ( -0.193 -0.082 3.822) 3.827 10.099 ( -0.335 -3.317 5.891) 6.769 10.475 ( -0.800 2.093 1.007) 2.457 10.523 ( 0.709 -2.317 0.386) 2.453 10.599 ( -0.513 1.613 -0.080) 1.695 10.639 ( -1.002 -2.243 0.083) 2.458 11.640 ( 0.203 2.245 -0.297) 2.273 11.680 ( 0.019 -1.357 -0.003) 1.357 11.935 ( -0.249 2.268 -6.384) 6.780 11.979 ( -1.126 -1.742 -6.325) 6.657 14.761 ( 0.138 1.923 0.302) 1.951 14.805 ( 0.089 -2.371 -0.131) 2.376 14.927 ( -1.683 0.755 0.081) 1.847 14.940 ( -1.949 -0.462 0.523) 2.070 15.188 ( 1.130 3.788 1.225) 4.139 15.270 ( 0.642 -3.965 0.418) 4.038 15.434 ( 0.772 1.072 -2.120) 2.498 15.447 ( 0.456 -0.276 -1.022) 1.153 17.335 ( 0.566 0.818 0.212) 1.017 17.360 ( 0.461 -1.714 0.088) 1.777 17.503 ( -3.481 0.663 0.862) 3.647 17.516 ( -1.312 -0.617 0.349) 1.491 18.638 ( -1.492 3.388 0.372) 3.720 18.702 ( -0.316 -3.184 2.049) 3.799 18.979 ( 2.497 4.271 1.771) 5.254 19.074 ( 0.516 -4.705 0.426) 4.752 27.839 ( -0.071 0.376 -2.223) 2.255 27.849 ( -0.011 -0.668 -1.472) 1.617 27.932 ( 0.474 1.054 1.378) 1.799 27.955 ( 0.820 -1.124 1.605) 2.124 29.163 ( 2.219 3.843 3.406) 5.594 29.231 ( 4.046 -2.947 5.835) 7.688 30.132 ( 9.632 2.668 -5.768) 11.539 30.181 ( 0.100 -2.203 -3.782) 4.378 30.411 ( -2.074 4.091 3.657) 5.866 30.500 ( -6.930 -4.470 4.783) 9.534 30.607 ( 2.025 -1.035 -0.389) 2.307 30.617 ( -4.502 -2.092 0.182) 4.968 31.255 ( -1.777 9.564 5.244) 11.051 31.478 ( 1.944 -11.563 2.232) 11.936 33.442 ( -2.309 5.862 -8.597) 10.659 33.510 ( -0.736 -0.782 -8.817) 8.882 ======================= Grid point 90 (47/129) ======================= q-point: ( 0.08 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.125 13.186 11.548) 17.805 1.327 ( 1.310 9.077 17.194) 19.487 1.710 ( 8.808 -9.286 10.446) 16.520 1.764 ( 5.983 -12.253 8.159) 15.890 2.228 ( 6.634 7.216 -0.118) 9.803 2.348 ( 8.097 -4.264 -2.696) 9.540 2.568 ( -3.396 12.853 4.404) 14.005 2.710 ( 5.901 17.791 14.847) 23.912 2.793 ( -1.670 -3.703 2.825) 4.948 3.097 ( 4.309 14.045 3.074) 15.009 3.135 ( 0.932 -9.586 10.578) 14.306 3.331 ( 0.655 -1.066 0.349) 1.299 3.388 ( -0.322 -2.961 0.493) 3.019 3.507 ( -1.075 -18.785 -0.415) 18.820 3.751 ( -5.778 5.663 -13.026) 15.333 3.793 ( -7.454 0.758 -8.147) 11.069 3.949 ( -3.983 2.714 2.553) 5.454 4.058 ( 1.324 -6.259 1.750) 6.633 4.217 ( -3.650 3.661 -0.212) 5.175 4.321 ( -3.709 -6.319 1.923) 7.575 4.588 ( -10.168 7.694 4.250) 13.441 4.731 ( -9.031 -4.989 2.947) 10.730 4.929 ( -6.893 7.524 3.673) 10.846 5.098 ( -5.333 -7.723 3.420) 9.989 5.176 ( 7.153 6.495 8.501) 12.869 5.335 ( 5.292 -6.605 2.616) 8.858 5.514 ( -2.066 0.471 0.568) 2.194 5.547 ( -2.278 -2.511 0.749) 3.471 6.091 ( -1.553 3.211 -5.525) 6.576 6.163 ( 2.388 -3.155 -5.174) 6.514 6.353 ( 1.297 1.728 -4.509) 5.000 6.411 ( 0.142 -3.336 -3.810) 5.066 6.852 ( 1.957 4.661 -8.037) 9.495 6.924 ( 0.684 -2.655 -5.670) 6.299 7.196 ( -3.474 3.447 -12.521) 13.443 7.218 ( -1.224 1.276 -10.387) 10.537 8.159 ( 6.646 3.888 -4.558) 8.947 8.176 ( 4.540 1.931 -2.352) 5.466 8.352 ( 0.438 0.061 -0.316) 0.544 8.417 ( 6.871 -5.510 -5.052) 10.153 9.823 ( 2.508 2.186 3.627) 4.922 9.855 ( 2.280 -0.383 3.622) 4.296 10.106 ( -0.719 -0.577 3.861) 3.970 10.145 ( -1.488 -4.827 4.243) 6.596 10.483 ( 0.569 3.045 0.828) 3.207 10.551 ( 1.854 -3.484 0.611) 3.994 10.620 ( 3.066 1.151 -0.543) 3.320 10.647 ( 2.238 -1.516 -0.239) 2.713 11.638 ( -0.229 2.437 0.021) 2.448 11.674 ( -0.759 -0.454 -0.005) 0.885 11.824 ( -3.480 1.895 -6.313) 7.454 11.865 ( -3.911 -1.723 -5.312) 6.817 14.770 ( 0.153 1.192 0.504) 1.303 14.802 ( -0.060 -1.971 -0.261) 1.989 14.885 ( -3.230 1.076 -0.159) 3.408 14.905 ( -2.859 -0.836 0.474) 3.016 15.216 ( 0.588 2.757 1.019) 2.997 15.278 ( -0.248 -2.883 0.394) 2.921 15.432 ( 1.332 1.631 -1.430) 2.545 15.455 ( 1.337 -0.661 -0.413) 1.547 17.352 ( 1.003 0.697 0.440) 1.299 17.374 ( 0.987 -1.519 0.211) 1.824 17.453 ( -2.991 2.138 0.877) 3.780 17.494 ( -1.682 -1.854 0.619) 2.579 18.625 ( -1.200 4.767 1.298) 5.084 18.704 ( -0.894 -2.731 0.526) 2.921 19.017 ( -0.558 0.771 2.324) 2.511 19.068 ( -1.702 -3.454 0.274) 3.861 27.820 ( -0.062 0.548 -0.980) 1.125 27.836 ( -0.243 -1.061 -0.511) 1.202 27.944 ( -0.198 1.342 0.583) 1.476 27.972 ( -0.058 -1.401 0.699) 1.567 29.260 ( 3.419 6.096 4.328) 8.221 29.352 ( 3.157 -2.372 3.149) 5.051 30.032 ( -10.081 0.832 -3.590) 10.733 30.112 ( -9.059 -7.986 1.681) 12.193 30.412 ( 2.599 2.458 1.190) 3.770 30.462 ( 1.652 -2.322 2.275) 3.646 30.716 ( 11.877 1.462 -2.672) 12.261 30.760 ( 11.249 -2.649 -1.992) 11.727 31.380 ( 9.984 9.094 4.636) 14.278 31.597 ( 8.771 -11.550 4.143) 15.083 33.230 ( -9.600 9.673 -8.955) 16.307 33.334 ( -8.309 -1.573 -8.328) 11.869 ======================= Grid point 91 (48/129) ======================= q-point: ( 0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 10.210 8.422 12.655) 18.312 1.607 ( 8.568 0.064 17.029) 19.064 1.912 ( 3.450 -1.909 9.121) 9.937 1.979 ( 4.183 -6.913 11.371) 13.949 2.363 ( 9.177 7.586 -0.928) 11.943 2.451 ( 6.252 0.856 -5.706) 8.508 2.578 ( 7.071 4.091 -1.620) 8.328 2.743 ( 2.260 -9.398 0.172) 9.667 2.979 ( -4.775 16.534 -11.477) 20.686 3.078 ( 8.189 11.514 5.040) 15.001 3.248 ( -8.246 8.777 6.962) 13.911 3.321 ( 2.166 -3.249 3.614) 5.321 3.442 ( -1.821 -6.932 7.298) 10.229 3.503 ( -4.491 0.123 0.632) 4.537 3.604 ( -0.300 -2.559 -5.490) 6.065 3.638 ( -1.851 -16.320 3.559) 16.806 3.952 ( -0.266 6.570 3.456) 7.428 4.100 ( 2.820 -6.724 0.498) 7.309 4.208 ( 0.661 3.068 3.559) 4.745 4.299 ( -3.906 -5.280 4.363) 7.885 4.414 ( -14.553 7.561 3.956) 16.870 4.509 ( -14.626 -0.561 1.421) 14.705 4.906 ( -1.590 0.507 1.305) 2.119 5.011 ( -6.832 -8.699 1.319) 11.140 5.317 ( -2.537 5.149 4.225) 7.127 5.418 ( 1.968 -3.001 1.668) 3.958 5.496 ( 0.781 2.080 0.479) 2.273 5.597 ( 3.321 -7.139 6.523) 10.224 6.064 ( 1.370 6.992 -0.667) 7.156 6.155 ( 0.384 -0.464 -2.204) 2.284 6.298 ( 1.689 0.714 -8.579) 8.773 6.391 ( 3.866 -6.504 -2.408) 7.941 6.829 ( 2.398 4.100 -3.290) 5.778 6.896 ( 0.329 -2.047 -0.959) 2.284 7.008 ( -2.431 4.702 -12.370) 13.454 7.059 ( -2.025 -0.009 -12.743) 12.903 8.199 ( 5.406 3.489 -5.114) 8.219 8.219 ( 4.737 1.291 -3.754) 6.180 8.364 ( 0.924 1.304 0.357) 1.638 8.450 ( 3.873 -6.103 -5.552) 9.115 9.905 ( 3.557 1.890 2.259) 4.618 9.921 ( 2.241 0.715 1.784) 2.952 10.127 ( -1.541 -1.076 3.013) 3.551 10.153 ( -1.260 -3.824 1.816) 4.417 10.513 ( 2.159 3.530 0.772) 4.210 10.592 ( 2.825 -3.978 0.006) 4.879 10.667 ( 3.460 1.474 -0.587) 3.806 10.695 ( 3.630 -1.273 -0.405) 3.868 11.637 ( -0.265 2.599 0.548) 2.670 11.648 ( -1.776 2.595 -1.700) 3.574 11.727 ( -2.562 -1.241 -0.991) 3.014 11.750 ( -3.856 -2.498 -3.810) 5.969 14.774 ( -0.244 0.380 -0.243) 0.513 14.784 ( -1.140 -0.460 -1.465) 1.913 14.840 ( -2.443 1.400 1.087) 3.018 14.877 ( -1.836 -1.735 1.990) 3.216 15.230 ( 0.476 1.637 0.126) 1.709 15.275 ( -0.183 -2.493 -0.170) 2.506 15.438 ( 0.704 2.120 -0.665) 2.331 15.471 ( 0.624 -1.013 0.052) 1.191 17.374 ( 1.271 0.590 0.376) 1.451 17.395 ( 1.574 -1.556 0.107) 2.216 17.440 ( -0.599 2.264 1.575) 2.822 17.487 ( -0.695 -2.335 1.578) 2.903 18.632 ( -0.304 4.445 2.154) 4.949 18.695 ( -0.573 -1.270 0.402) 1.450 19.013 ( -2.666 -1.057 1.120) 3.079 19.033 ( -2.521 -2.402 0.037) 3.482 27.813 ( -0.069 0.497 -0.274) 0.572 27.827 ( -0.405 -0.826 -0.330) 0.978 27.942 ( -0.485 1.505 0.079) 1.583 27.973 ( -0.336 -1.533 0.183) 1.580 29.340 ( 1.862 5.852 1.523) 6.326 29.397 ( 1.370 0.879 -0.499) 1.703 29.832 ( -9.714 3.823 -2.524) 10.740 29.981 ( -11.253 -10.171 5.369) 16.090 30.496 ( 5.626 2.154 -0.229) 6.029 30.559 ( 6.796 -3.668 1.239) 7.821 30.844 ( 7.817 1.922 -2.031) 8.302 30.884 ( 8.217 -2.122 -2.975) 8.993 31.635 ( 17.146 7.533 -0.055) 18.728 31.837 ( 14.222 -11.616 4.214) 18.840 32.985 ( -10.991 8.614 -4.209) 14.585 33.087 ( -11.446 -1.895 -6.280) 13.192 ======================= Grid point 92 (49/129) ======================= q-point: ( 0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 11.456 6.786 9.870) 16.574 1.911 ( 6.761 -0.866 11.340) 13.231 2.032 ( -0.211 1.798 8.118) 8.317 2.150 ( 3.767 -7.381 6.803) 10.721 2.390 ( 1.529 6.029 -5.999) 8.641 2.475 ( 7.098 -2.191 -7.256) 10.384 2.701 ( 8.972 5.685 -3.671) 11.238 2.720 ( -4.040 7.703 -8.567) 12.209 2.896 ( 0.648 1.913 -0.100) 2.022 3.033 ( -5.105 -6.640 3.510) 9.081 3.120 ( -11.784 9.406 -2.908) 15.356 3.273 ( -5.347 -1.753 -1.916) 5.944 3.460 ( -1.923 0.413 -3.129) 3.696 3.573 ( 1.068 -1.396 8.678) 8.854 3.591 ( 0.832 -0.894 2.460) 2.747 3.714 ( 1.832 -6.508 7.513) 10.107 4.015 ( 2.612 6.496 3.792) 7.963 4.119 ( -10.542 3.426 -0.068) 11.085 4.171 ( 0.912 -4.943 2.044) 5.426 4.212 ( -6.746 -1.737 0.865) 7.019 4.444 ( 7.517 0.264 7.828) 10.856 4.507 ( 3.650 -5.191 9.787) 11.665 4.887 ( -0.564 -0.714 -1.604) 1.844 4.935 ( -2.830 -4.332 -0.935) 5.259 5.277 ( -2.430 2.474 0.273) 3.479 5.363 ( -3.567 -5.411 -4.095) 7.667 5.603 ( 3.036 6.343 7.791) 10.495 5.748 ( 2.637 -7.900 10.272) 13.224 6.028 ( -2.366 5.898 -4.421) 7.741 6.124 ( -1.190 -3.548 -4.128) 5.572 6.289 ( 6.666 9.653 -1.022) 11.775 6.484 ( 6.261 -8.674 1.871) 10.860 6.821 ( 1.357 4.789 -10.597) 11.707 6.851 ( -2.076 3.243 -1.562) 4.156 6.879 ( -3.233 0.589 -9.539) 10.089 6.915 ( -0.792 -3.846 2.274) 4.538 8.202 ( 3.310 3.138 -6.890) 8.263 8.247 ( 3.984 -0.834 -4.404) 5.997 8.386 ( 0.199 0.550 2.187) 2.264 8.418 ( -1.530 -2.831 -2.146) 3.868 9.970 ( 2.496 1.207 0.389) 2.800 9.983 ( 3.581 0.030 0.915) 3.696 10.124 ( -1.205 0.510 1.095) 1.706 10.161 ( 0.602 -2.965 0.713) 3.108 10.565 ( 3.024 3.580 0.809) 4.755 10.640 ( 3.546 -3.314 -0.678) 4.901 10.714 ( 2.627 1.228 0.231) 2.909 10.743 ( 2.863 -1.414 -0.273) 3.205 11.592 ( -2.049 3.044 -1.841) 4.106 11.639 ( -0.428 1.383 0.158) 1.456 11.663 ( -2.791 -1.224 -1.552) 3.419 11.707 ( -1.305 -2.477 1.495) 3.174 14.738 ( -1.501 0.644 -1.432) 2.172 14.761 ( -0.808 -1.716 -0.847) 2.078 14.840 ( -0.297 2.786 2.432) 3.710 14.888 ( -0.350 -1.656 2.516) 3.033 15.238 ( 0.848 0.690 -0.505) 1.204 15.270 ( 0.286 -2.365 -0.791) 2.510 15.437 ( -0.126 2.148 -0.238) 2.165 15.473 ( -0.442 -1.212 0.149) 1.299 17.404 ( 2.039 0.758 0.272) 2.192 17.429 ( 2.312 -1.656 0.245) 2.855 17.457 ( 0.520 1.971 1.326) 2.431 17.501 ( -0.246 -2.276 2.024) 3.056 18.662 ( 0.489 3.389 2.590) 4.293 18.699 ( 0.100 0.327 1.046) 1.101 18.954 ( -3.934 -0.287 -1.419) 4.192 18.991 ( -3.202 -3.322 -0.064) 4.614 27.807 ( -0.338 0.256 -0.309) 0.525 27.816 ( -0.415 -0.592 -0.395) 0.824 27.930 ( -0.792 1.787 -0.394) 1.994 27.966 ( -0.676 -1.670 -0.212) 1.814 29.345 ( 0.192 4.696 -2.603) 5.373 29.404 ( 0.764 -0.154 -1.715) 1.884 29.684 ( -6.700 8.369 0.013) 10.720 29.879 ( -8.828 -9.486 4.719) 13.791 30.565 ( 3.476 3.002 -0.460) 4.616 30.668 ( 5.052 -6.718 0.269) 8.410 30.934 ( 5.373 3.427 -0.590) 6.400 30.984 ( 7.958 -1.729 -1.609) 8.301 31.889 ( 16.647 7.835 -3.740) 18.775 32.094 ( 12.728 -11.883 0.995) 17.441 32.804 ( -8.673 4.867 0.275) 9.949 32.864 ( -9.611 -0.882 -1.465) 9.762 ======================= Grid point 93 (50/129) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -1.254 4.473 4.838) 6.708 2.048 ( 2.328 2.123 1.955) 3.708 2.077 ( -4.149 1.340 3.087) 5.342 2.192 ( 0.072 -4.634 -0.698) 4.687 2.368 ( -0.948 5.445 -7.969) 9.699 2.443 ( 0.859 3.509 -7.247) 8.098 2.623 ( -5.107 -0.281 -4.949) 7.117 2.691 ( 2.618 -5.058 1.253) 5.831 2.888 ( 2.020 12.902 3.125) 13.428 2.908 ( -9.863 11.413 2.194) 15.243 3.106 ( 3.895 -6.737 0.686) 7.812 3.221 ( -2.783 -11.919 2.902) 12.579 3.392 ( 1.110 7.479 -3.982) 8.546 3.556 ( 2.399 -6.775 -5.692) 9.168 3.731 ( -2.387 2.364 9.604) 10.175 3.791 ( -0.164 -1.820 8.068) 8.272 3.948 ( -8.669 4.280 0.429) 9.678 4.084 ( 0.084 -2.163 0.860) 2.329 4.173 ( -0.647 0.209 3.469) 3.535 4.256 ( 3.305 -5.890 3.257) 7.498 4.602 ( 3.399 3.957 3.771) 6.437 4.722 ( 11.673 -4.501 2.414) 12.742 4.852 ( 1.495 0.493 -4.991) 5.233 4.900 ( -0.952 -1.728 -0.179) 1.981 5.252 ( -1.987 -2.756 -4.456) 5.604 5.277 ( -0.135 -4.677 -0.545) 4.710 5.748 ( 3.051 7.208 8.905) 11.856 5.873 ( 0.859 -3.730 3.867) 5.441 5.965 ( -0.012 2.669 0.160) 2.674 6.050 ( -0.133 -4.465 -5.220) 6.870 6.428 ( 5.886 9.056 4.469) 11.689 6.569 ( 1.178 -3.762 0.674) 4.000 6.691 ( 0.095 1.684 -10.312) 10.449 6.715 ( -2.161 0.017 -9.063) 9.317 6.880 ( -0.563 2.905 6.030) 6.716 6.963 ( 0.549 -4.312 6.956) 8.202 8.156 ( -0.007 1.980 -5.489) 5.835 8.210 ( -0.738 -2.979 -6.890) 7.543 8.394 ( -1.864 2.040 3.234) 4.254 8.423 ( -0.232 -0.767 4.090) 4.168 10.009 ( 1.810 0.416 0.277) 1.878 10.021 ( 0.539 -0.759 -0.056) 0.932 10.142 ( 2.810 2.127 0.076) 3.525 10.187 ( 2.026 -2.256 -0.123) 3.035 10.620 ( 2.638 3.404 0.583) 4.346 10.685 ( 3.231 -2.243 -1.253) 4.128 10.754 ( 1.456 0.588 0.875) 1.798 10.781 ( 1.637 -1.661 0.694) 2.433 11.550 ( -1.280 2.239 -0.824) 2.708 11.601 ( -1.722 -2.768 -0.995) 3.409 11.649 ( -0.373 3.128 0.674) 3.221 11.704 ( -1.185 -2.178 1.276) 2.789 14.709 ( -0.602 0.975 -0.571) 1.280 14.746 ( -0.256 -2.651 -0.110) 2.666 14.867 ( 0.127 3.134 1.995) 3.717 14.914 ( 0.100 -1.257 2.154) 2.496 15.246 ( 1.127 0.075 -0.877) 1.430 15.267 ( 0.760 -2.044 -1.225) 2.501 15.430 ( -0.617 1.885 0.114) 1.986 15.463 ( -0.986 -1.157 0.222) 1.536 17.441 ( 2.186 1.058 -0.113) 2.431 17.463 ( 1.011 -0.150 0.464) 1.123 17.488 ( 2.181 -0.003 0.476) 2.232 17.520 ( -0.430 -2.087 2.056) 2.961 18.698 ( 0.617 2.744 1.890) 3.388 18.722 ( 0.711 1.468 1.801) 2.430 18.867 ( -3.771 0.537 -2.731) 4.687 18.928 ( -3.471 -4.377 -1.114) 5.696 27.795 ( -0.548 0.438 -0.499) 0.861 27.807 ( -0.181 -0.791 -0.198) 0.836 27.911 ( -0.623 1.838 -0.660) 2.050 27.947 ( -1.034 -1.646 -0.587) 2.030 29.314 ( 0.125 4.041 -2.562) 4.786 29.380 ( 0.067 -2.157 -2.910) 3.623 29.618 ( -3.499 10.414 1.866) 11.143 29.802 ( -6.225 -7.321 2.912) 10.041 30.601 ( 1.658 3.373 -0.221) 3.765 30.724 ( 2.354 -8.508 -0.271) 8.832 31.000 ( 3.556 5.714 -0.626) 6.759 31.086 ( 5.907 -2.822 -0.858) 6.602 32.071 ( 11.826 6.536 -4.105) 14.122 32.230 ( 5.828 -8.883 -2.905) 11.014 32.708 ( -5.270 4.556 2.701) 7.471 32.792 ( -2.153 -3.693 4.291) 6.057 ======================= Grid point 94 (51/129) ======================= q-point: ( 0.42 0.40 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -5.490 8.394 -4.615) 11.040 1.993 ( -2.100 3.545 -0.101) 4.121 2.067 ( -2.319 -0.521 1.881) 3.031 2.161 ( -4.042 -6.526 -5.191) 9.267 2.233 ( -2.973 2.153 -3.275) 4.919 2.321 ( 1.775 -1.302 -5.471) 5.897 2.606 ( -1.110 9.722 7.474) 12.313 2.739 ( -2.975 4.787 3.565) 6.669 2.902 ( 1.719 2.970 4.779) 5.883 2.957 ( 2.258 12.257 1.665) 12.574 3.160 ( 2.806 -9.044 -0.205) 9.472 3.234 ( 1.451 -12.836 0.645) 12.934 3.397 ( 4.327 6.343 -3.368) 8.385 3.512 ( -0.863 -4.903 -5.851) 7.683 3.726 ( -6.125 2.647 3.629) 7.596 3.826 ( -5.202 -0.839 -2.831) 5.982 3.905 ( -0.505 0.502 9.675) 9.702 4.062 ( -2.253 -7.750 0.896) 8.120 4.212 ( 0.912 3.049 0.265) 3.193 4.307 ( 0.411 -5.683 0.269) 5.704 4.657 ( 2.029 10.051 -0.615) 10.272 4.828 ( 0.677 4.267 -2.719) 5.105 4.884 ( 8.549 -9.000 -3.736) 12.963 4.891 ( -0.916 -0.244 0.510) 1.076 5.192 ( 1.316 -2.014 -2.636) 3.569 5.275 ( 0.813 -8.263 -1.433) 8.425 5.828 ( -1.451 6.958 0.308) 7.114 5.897 ( 2.032 0.683 -1.470) 2.599 5.988 ( 2.188 -0.999 -3.677) 4.394 6.015 ( 1.790 -3.296 -3.628) 5.218 6.526 ( -0.039 4.772 -1.418) 4.978 6.578 ( 0.366 0.846 5.528) 5.604 6.601 ( -1.802 0.714 1.811) 2.653 6.638 ( -0.391 -3.769 -1.587) 4.109 6.965 ( 0.571 5.334 6.913) 8.750 7.064 ( 1.486 -4.094 5.566) 7.068 8.101 ( -0.222 0.083 -2.743) 2.753 8.120 ( -1.371 -1.606 -3.479) 4.069 8.407 ( -1.762 3.550 3.579) 5.340 8.461 ( -1.693 -1.810 5.117) 5.685 10.016 ( -0.370 1.291 0.440) 1.413 10.040 ( 1.040 -1.051 0.482) 1.555 10.190 ( 2.819 1.099 -0.578) 3.080 10.214 ( 1.825 -1.239 -0.764) 2.334 10.657 ( 1.365 3.198 0.256) 3.486 10.713 ( 2.168 -1.636 -1.294) 3.009 10.779 ( 0.403 0.507 1.066) 1.247 10.810 ( 0.303 -2.056 1.428) 2.522 11.532 ( -0.442 1.810 0.083) 1.865 11.577 ( -0.637 -2.539 -0.055) 2.619 11.649 ( -0.314 2.791 0.239) 2.819 11.696 ( -1.018 -1.773 0.487) 2.102 14.704 ( 0.019 1.178 0.386) 1.240 14.748 ( 0.070 -3.058 0.464) 3.093 14.881 ( -0.496 3.297 0.906) 3.455 14.932 ( -0.415 -1.503 1.098) 1.907 15.254 ( 1.153 -0.092 -0.979) 1.515 15.268 ( 1.070 -1.575 -1.200) 2.250 15.422 ( -0.658 1.603 0.450) 1.790 15.450 ( -0.894 -0.974 0.372) 1.374 17.464 ( 1.251 0.903 -0.666) 1.680 17.476 ( 0.277 0.277 0.191) 0.436 17.522 ( 0.833 -0.745 0.299) 1.157 17.535 ( 0.123 -1.604 1.338) 2.092 18.717 ( 0.006 3.047 0.203) 3.053 18.755 ( 0.635 3.539 1.263) 3.811 18.785 ( -2.032 -1.160 -2.592) 3.491 18.870 ( -1.868 -4.996 -0.954) 5.419 27.784 ( -0.205 1.022 -0.151) 1.054 27.806 ( -0.001 -1.123 0.090) 1.126 27.901 ( 0.242 1.063 -0.469) 1.187 27.923 ( -0.855 -1.116 -0.665) 1.555 29.301 ( 0.794 3.759 -0.884) 3.943 29.363 ( 0.883 -2.297 -0.772) 2.579 29.591 ( -2.155 9.451 0.559) 9.710 29.744 ( -3.921 -5.530 1.050) 6.860 30.619 ( 0.683 3.394 0.248) 3.470 30.746 ( 0.947 -8.824 -0.406) 8.884 31.031 ( 1.662 6.884 -1.084) 7.164 31.140 ( 2.761 -3.710 -1.867) 4.987 32.193 ( 7.194 2.747 -0.251) 7.705 32.262 ( 2.582 -3.998 -1.056) 4.875 32.685 ( -2.625 6.447 2.760) 7.488 32.824 ( -0.782 -7.163 3.025) 7.815 ======================= Grid point 95 (52/129) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.164 7.756 -3.242) 8.487 1.963 ( -0.900 -0.482 -1.795) 2.066 2.034 ( 1.346 -3.306 -5.165) 6.278 2.060 ( 0.469 -4.762 -3.732) 6.068 2.273 ( 6.745 9.244 6.531) 13.176 2.411 ( 6.860 -0.360 2.719) 7.388 2.660 ( -3.974 8.469 7.853) 12.214 2.753 ( -1.324 10.328 7.072) 12.587 2.915 ( -4.384 6.821 2.004) 8.352 3.014 ( 0.109 4.263 2.380) 4.884 3.178 ( -1.140 -5.202 1.160) 5.450 3.251 ( -0.398 -16.492 -1.641) 16.578 3.398 ( -1.069 1.540 -7.804) 8.026 3.450 ( 6.920 -3.680 -4.416) 8.996 3.621 ( -7.338 3.903 -2.228) 8.605 3.717 ( -2.333 -2.578 -4.647) 5.804 3.963 ( -3.874 0.490 6.113) 7.254 4.053 ( -0.843 -6.208 0.882) 6.327 4.195 ( -0.780 1.709 -2.354) 3.012 4.289 ( -1.129 -6.935 -2.018) 7.310 4.653 ( -1.201 12.947 -1.975) 13.152 4.794 ( -0.111 5.477 -4.180) 6.890 4.878 ( 0.343 -0.090 -0.942) 1.006 4.919 ( 1.647 -9.728 -4.548) 10.864 5.235 ( 3.317 -3.828 1.792) 5.373 5.276 ( 0.583 -7.500 -0.644) 7.550 5.727 ( -4.739 6.741 -9.472) 12.555 5.831 ( -2.199 -3.176 -8.761) 9.574 5.964 ( 0.376 1.196 -2.959) 3.213 6.020 ( 2.043 -3.333 -1.064) 4.051 6.504 ( 4.322 5.340 -2.985) 7.490 6.590 ( 0.172 -3.329 -0.305) 3.347 6.664 ( -1.106 4.789 9.273) 10.495 6.754 ( 3.615 -3.097 10.328) 11.372 6.994 ( -5.005 5.552 5.046) 9.019 7.092 ( -4.655 -3.995 3.300) 6.965 8.106 ( 3.795 1.098 -0.156) 3.954 8.137 ( 5.048 -1.695 0.740) 5.377 8.415 ( -2.443 3.541 4.190) 6.005 8.479 ( -3.353 -2.547 5.187) 6.681 10.022 ( -0.141 1.820 1.089) 2.125 10.055 ( -0.225 -1.405 0.885) 1.676 10.203 ( 0.016 0.947 -1.307) 1.614 10.223 ( 0.464 -0.972 -1.075) 1.522 10.668 ( -0.339 3.281 0.190) 3.304 10.725 ( 0.863 -1.524 -1.072) 2.053 10.793 ( -0.426 0.245 1.442) 1.524 10.820 ( -0.829 -1.933 1.260) 2.452 11.537 ( 0.340 1.741 0.809) 1.950 11.578 ( 0.391 -2.242 0.577) 2.348 11.645 ( -0.249 2.233 -0.027) 2.247 11.684 ( -0.616 -1.462 -0.212) 1.601 14.716 ( 0.266 1.070 1.279) 1.689 14.756 ( -0.015 -2.757 0.835) 2.880 14.871 ( -1.189 3.017 -0.192) 3.248 14.921 ( -1.494 -1.715 -0.303) 2.294 15.260 ( 0.790 -0.015 -0.726) 1.073 15.272 ( 0.952 -1.238 -0.933) 1.820 15.421 ( -0.253 1.378 0.682) 1.558 15.445 ( -0.358 -0.762 0.393) 0.929 17.466 ( -0.034 0.622 -0.831) 1.039 17.476 ( -0.207 -0.189 -0.107) 0.300 17.522 ( -0.992 0.163 0.333) 1.059 17.543 ( -0.461 -1.787 0.056) 1.846 18.699 ( -0.945 2.730 -1.515) 3.262 18.720 ( -1.342 2.201 -2.346) 3.485 18.799 ( 2.018 -0.322 0.915) 2.239 18.857 ( 0.898 -4.319 -0.228) 4.417 27.788 ( 0.443 0.908 0.554) 1.152 27.808 ( 0.032 -1.027 0.317) 1.075 27.905 ( 0.217 0.325 -0.349) 0.524 27.913 ( 0.734 -0.467 -0.388) 0.953 29.322 ( 1.629 4.276 1.075) 4.700 29.395 ( 1.934 -2.770 2.029) 3.941 29.556 ( -1.486 8.687 -1.468) 8.935 29.698 ( -1.969 -5.242 -0.958) 5.681 30.629 ( -0.046 3.236 0.709) 3.313 30.746 ( -0.113 -7.858 -0.730) 7.893 31.036 ( 0.817 6.393 -1.345) 6.583 31.141 ( 0.961 -3.622 -2.854) 4.710 32.298 ( 2.515 0.516 4.283) 4.994 32.323 ( 3.763 -1.898 3.581) 5.530 32.659 ( -3.143 6.781 0.551) 7.494 32.803 ( -3.866 -7.294 -0.441) 8.267 ======================= Grid point 96 (53/129) ======================= q-point: (-0.42 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -2.337 3.313 -1.087) 4.198 1.906 ( -0.146 0.696 -4.185) 4.245 2.059 ( 9.030 -1.806 -4.414) 10.213 2.085 ( 5.835 -0.736 -2.829) 6.526 2.438 ( -0.156 9.658 2.766) 10.047 2.526 ( 1.184 8.077 0.388) 8.173 2.678 ( 0.669 5.731 6.615) 8.778 2.821 ( -6.982 -8.821 4.387) 12.075 2.902 ( 5.802 9.280 9.410) 14.434 2.979 ( -6.636 7.378 2.424) 10.215 3.134 ( -2.691 -3.832 -0.586) 4.719 3.216 ( -0.599 -12.320 -0.059) 12.335 3.351 ( 2.690 4.294 -6.552) 8.283 3.479 ( -1.226 -1.088 -5.345) 5.590 3.527 ( 4.995 0.088 -1.700) 5.277 3.675 ( 2.741 -5.837 -3.476) 7.326 3.933 ( -4.215 2.802 1.974) 5.432 4.019 ( -2.403 -4.024 -2.335) 5.236 4.158 ( -1.292 -0.534 -1.219) 1.855 4.234 ( -2.320 -7.373 -2.561) 8.143 4.563 ( -7.081 12.942 -2.235) 14.921 4.718 ( -4.065 2.222 -5.315) 7.051 4.849 ( -2.608 -6.573 -4.423) 8.341 4.879 ( 0.999 -3.195 -1.976) 3.887 5.245 ( -2.064 -1.223 -2.580) 3.523 5.314 ( 2.431 -6.921 1.869) 7.570 5.548 ( -2.221 4.302 -8.048) 9.392 5.655 ( -3.994 -6.235 -10.623) 12.949 5.971 ( 1.960 4.589 0.540) 5.019 6.051 ( 2.471 -2.961 -0.125) 3.859 6.568 ( 0.507 3.632 -1.499) 3.962 6.601 ( 6.474 2.149 -3.464) 7.650 6.729 ( -3.574 3.778 10.434) 11.658 6.864 ( -3.814 -6.417 5.108) 9.045 7.000 ( -1.010 4.063 6.792) 7.978 7.062 ( -1.543 -1.681 7.230) 7.581 8.205 ( 6.730 3.474 0.977) 7.637 8.249 ( 6.419 -0.023 -0.448) 6.434 8.443 ( -1.472 -0.090 7.301) 7.449 8.478 ( -3.420 -2.614 5.512) 6.994 10.026 ( -1.001 1.266 0.855) 1.826 10.051 ( -1.605 -1.096 0.868) 2.129 10.168 ( -2.159 1.741 -1.382) 3.099 10.203 ( -1.281 -1.591 -1.315) 2.429 10.650 ( -2.168 3.571 0.251) 4.185 10.715 ( -0.813 -2.029 -0.840) 2.341 10.795 ( -1.590 0.322 1.655) 2.318 10.819 ( -0.855 -1.439 1.223) 2.073 11.561 ( 1.219 2.094 1.218) 2.712 11.601 ( 1.515 -1.395 0.550) 2.131 11.642 ( -0.210 1.209 0.317) 1.268 11.674 ( -0.008 -1.436 -0.335) 1.474 14.741 ( 0.550 0.749 2.102) 2.298 14.769 ( 0.250 -1.962 1.443) 2.448 14.842 ( -1.651 2.317 -0.750) 2.942 14.883 ( -1.886 -1.590 -1.107) 2.704 15.260 ( -0.030 0.289 -0.562) 0.632 15.276 ( 0.561 -1.302 -0.683) 1.574 15.429 ( 0.150 1.190 0.690) 1.384 15.447 ( 0.298 -0.531 0.168) 0.632 17.447 ( -1.164 0.813 -0.734) 1.599 17.466 ( -1.060 -0.611 -0.128) 1.230 17.502 ( -1.530 0.102 -0.113) 1.538 17.521 ( -1.795 -1.664 -0.386) 2.478 18.660 ( -1.524 2.751 -1.767) 3.608 18.685 ( -0.219 1.130 -1.452) 1.853 18.846 ( 2.986 -0.591 0.073) 3.045 18.880 ( 2.511 -3.245 -0.926) 4.206 27.805 ( 0.476 0.237 0.789) 0.952 27.814 ( 0.135 -0.709 0.538) 0.900 27.905 ( 0.592 1.075 -0.442) 1.304 27.927 ( 1.297 -1.027 -0.591) 1.757 29.371 ( 1.678 5.215 2.426) 5.991 29.438 ( -0.420 1.038 0.509) 1.230 29.542 ( 2.610 3.301 0.653) 4.259 29.657 ( -0.009 -5.588 -3.343) 6.512 30.632 ( -0.857 2.855 0.985) 3.140 30.726 ( -1.107 -5.785 -1.223) 6.015 31.026 ( -0.187 5.117 -1.482) 5.331 31.114 ( -0.158 -3.257 -2.711) 4.241 32.368 ( -3.770 0.777 6.634) 7.669 32.390 ( -3.215 -1.237 3.214) 4.711 32.643 ( 2.545 2.916 1.986) 4.350 32.715 ( -3.114 -4.016 -1.849) 5.408 ======================= Grid point 97 (54/129) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -8.572 7.070 -7.948) 13.662 1.857 ( -1.793 -6.156 -4.252) 7.693 1.990 ( -17.188 11.806 0.426) 20.856 2.192 ( 2.517 -5.048 -1.837) 5.932 2.352 ( -6.398 5.216 -6.139) 10.287 2.442 ( 7.150 -0.478 -7.761) 10.563 2.755 ( -6.457 -3.043 4.092) 8.228 2.791 ( -1.731 2.347 4.239) 5.145 2.973 ( 1.236 6.382 4.338) 7.816 3.117 ( -0.077 -0.106 2.426) 2.429 3.151 ( 6.847 2.700 -1.661) 7.545 3.229 ( 5.031 -1.229 3.350) 6.168 3.327 ( -0.929 6.252 3.390) 7.172 3.429 ( 1.361 2.978 -2.838) 4.333 3.608 ( 3.361 -7.558 2.360) 8.602 3.673 ( -0.162 -5.745 -2.778) 6.383 3.933 ( 2.799 2.986 0.281) 4.103 3.961 ( 1.465 0.588 -3.110) 3.487 4.119 ( -1.820 -2.743 -1.383) 3.570 4.169 ( -0.710 -6.844 -3.371) 7.662 4.412 ( -9.468 9.249 2.043) 13.392 4.535 ( -11.398 -3.347 -2.037) 12.053 4.779 ( -0.329 -0.851 -3.992) 4.095 4.852 ( 0.121 -6.712 -4.136) 7.884 5.167 ( -0.386 4.121 -6.056) 7.336 5.331 ( 1.181 -11.128 -5.035) 12.272 5.491 ( 0.289 1.357 -1.767) 2.246 5.537 ( 0.189 -2.986 -3.585) 4.670 6.016 ( 2.799 5.512 -0.297) 6.189 6.090 ( 2.834 -1.646 -0.363) 3.297 6.505 ( -3.216 5.677 -0.170) 6.527 6.632 ( -2.648 -6.158 -1.397) 6.848 6.816 ( 1.833 3.577 7.630) 8.624 6.870 ( 0.815 -2.295 6.803) 7.226 7.102 ( 2.694 5.123 6.689) 8.846 7.175 ( 2.978 -1.505 7.459) 8.171 8.293 ( 1.612 3.287 -1.428) 3.929 8.306 ( 4.190 2.865 -0.278) 5.083 8.463 ( -3.817 1.627 5.601) 6.971 8.576 ( 3.010 -7.529 8.457) 11.716 10.000 ( -3.025 0.775 0.015) 3.123 10.014 ( -3.767 -0.660 -0.197) 3.829 10.119 ( -2.158 1.909 -0.604) 2.944 10.159 ( -2.050 -1.939 -1.438) 3.166 10.608 ( -3.396 3.702 0.317) 5.034 10.680 ( -2.478 -2.938 -0.605) 3.891 10.783 ( -2.052 1.556 1.544) 3.002 10.815 ( -1.862 -1.378 1.545) 2.784 11.597 ( 1.566 2.419 0.408) 2.910 11.632 ( 2.222 -0.270 -0.527) 2.299 11.645 ( 0.157 1.710 0.830) 1.907 11.698 ( 2.419 -2.636 2.034) 4.115 14.778 ( 0.677 0.618 1.813) 2.031 14.799 ( 0.923 -1.367 1.722) 2.384 14.811 ( -1.353 1.602 0.637) 2.192 14.845 ( -1.223 -1.614 -0.757) 2.161 15.247 ( -0.641 0.967 -0.812) 1.416 15.273 ( 0.085 -1.638 -0.639) 1.760 15.439 ( 0.305 1.267 0.421) 1.370 15.457 ( 0.646 -0.490 0.056) 0.813 17.413 ( -2.014 0.844 -0.593) 2.263 17.440 ( -1.983 -1.338 -0.019) 2.393 17.472 ( -1.875 0.104 -0.232) 1.892 17.490 ( -1.415 -1.235 -0.037) 1.879 18.619 ( -1.227 4.015 -1.327) 4.403 18.676 ( 0.303 -0.960 -0.369) 1.072 18.884 ( 2.792 -0.535 -1.999) 3.475 18.915 ( 3.451 -2.796 -1.254) 4.615 27.818 ( 0.184 -0.056 0.713) 0.739 27.823 ( 0.193 -0.566 0.480) 0.767 27.911 ( 0.828 1.255 -0.874) 1.738 27.935 ( 1.035 -1.202 -1.282) 2.040 29.375 ( -2.436 6.336 -2.468) 7.222 29.428 ( -0.094 2.556 0.532) 2.613 29.625 ( 3.619 -2.199 -2.228) 4.785 29.657 ( 5.403 -3.851 2.178) 6.983 30.619 ( -2.199 2.190 0.748) 3.193 30.681 ( -2.703 -3.303 -1.640) 4.572 30.994 ( -1.645 4.707 -1.333) 5.161 31.081 ( -1.114 -3.790 -1.200) 4.129 32.232 ( -14.262 0.948 -0.278) 14.296 32.283 ( -14.020 -3.939 0.454) 14.570 32.748 ( 6.854 4.134 4.537) 9.200 32.813 ( 10.009 -2.394 5.746) 11.787 ======================= Grid point 98 (55/129) ======================= q-point: (-0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -14.718 13.285 -8.322) 21.503 1.623 ( -21.638 3.661 -0.297) 21.948 1.807 ( -3.478 -3.495 -1.044) 5.040 1.995 ( -13.898 -9.981 -0.599) 17.121 2.305 ( 0.376 8.439 -7.243) 11.128 2.449 ( 3.933 -2.746 -11.651) 12.600 2.720 ( -4.947 -1.054 0.714) 5.108 2.744 ( -4.131 -4.973 6.218) 8.970 2.911 ( -11.651 16.365 -8.373) 21.764 3.071 ( -6.243 3.268 -3.170) 7.727 3.220 ( 6.168 1.657 1.174) 6.494 3.249 ( 0.741 11.893 6.327) 13.491 3.382 ( -4.815 -7.647 -0.992) 9.091 3.544 ( 1.018 -4.749 4.518) 6.633 3.649 ( 6.208 -1.756 4.983) 8.152 3.731 ( 5.913 -9.533 7.664) 13.586 3.930 ( -0.980 5.919 -0.779) 6.050 4.073 ( 10.857 1.958 -0.893) 11.068 4.093 ( -0.042 -4.717 -0.001) 4.718 4.159 ( 5.464 -4.204 -6.267) 9.317 4.378 ( -0.663 5.557 7.899) 9.680 4.407 ( -4.335 1.448 5.426) 7.094 4.730 ( 0.136 -0.012 -5.422) 5.424 4.811 ( 1.617 -7.972 -4.794) 9.441 5.104 ( 1.817 3.573 -7.517) 8.519 5.269 ( 1.289 -11.812 -7.449) 14.024 5.498 ( 0.928 1.135 0.890) 1.715 5.532 ( 0.301 -1.991 0.033) 2.014 6.050 ( 2.525 5.791 -0.387) 6.329 6.132 ( 3.090 -1.945 -0.834) 3.745 6.486 ( -0.682 2.658 1.322) 3.046 6.563 ( -4.435 -4.420 1.343) 6.404 6.936 ( 3.532 3.701 4.613) 6.889 6.983 ( 1.580 -1.310 7.558) 7.832 7.216 ( 3.770 5.664 4.498) 8.156 7.307 ( 4.353 -2.387 5.639) 7.513 8.283 ( -1.160 2.633 -0.331) 2.896 8.334 ( 0.859 -0.949 -1.441) 1.927 8.459 ( -4.209 9.108 3.957) 10.785 8.688 ( 0.024 -12.153 5.342) 13.275 9.930 ( -5.392 0.274 -0.785) 5.455 9.933 ( -4.872 0.043 -0.738) 4.928 10.085 ( -1.720 0.960 -0.380) 2.007 10.108 ( -2.079 -1.279 -1.688) 2.968 10.555 ( -3.580 3.575 0.468) 5.081 10.628 ( -3.099 -3.327 -0.473) 4.572 10.761 ( -3.099 1.634 1.397) 3.772 10.786 ( -3.887 -0.881 1.312) 4.196 11.612 ( 0.974 1.746 -0.591) 2.085 11.639 ( 0.907 -0.824 -0.693) 1.408 11.716 ( 5.353 4.539 2.279) 7.379 11.787 ( 4.720 -2.595 2.945) 6.139 14.775 ( -0.636 0.662 -0.072) 0.921 14.804 ( -0.502 -2.084 -1.041) 2.383 14.845 ( 1.109 0.680 3.363) 3.606 14.860 ( 1.284 -0.746 2.880) 3.240 15.222 ( -0.881 1.979 -1.360) 2.558 15.265 ( -0.050 -2.008 -0.889) 2.196 15.448 ( 0.422 1.338 0.183) 1.415 15.466 ( 0.401 -0.447 0.084) 0.606 17.375 ( -1.904 0.740 -0.439) 2.089 17.405 ( -2.027 -2.174 -0.292) 2.987 17.450 ( -1.220 1.219 1.251) 2.130 17.478 ( -0.606 -1.385 0.737) 1.682 18.598 ( -0.278 4.748 -0.138) 4.758 18.680 ( 0.288 -3.074 -0.049) 3.087 18.892 ( 2.384 1.812 -3.568) 4.658 18.957 ( 3.579 -3.915 -1.429) 5.494 27.830 ( 0.363 -0.235 0.785) 0.896 27.832 ( 0.342 -0.443 0.445) 0.715 27.909 ( 0.622 1.097 -1.544) 1.993 27.931 ( 0.716 -1.073 -1.986) 2.368 29.291 ( -3.019 5.786 -4.001) 7.655 29.385 ( -2.906 -2.735 -3.903) 5.583 29.684 ( 7.200 5.072 -1.579) 8.947 29.802 ( 6.892 -5.852 4.286) 10.006 30.569 ( -4.467 1.666 -0.593) 4.805 30.603 ( -4.879 -1.545 -0.958) 5.206 30.953 ( -2.074 5.217 -0.529) 5.639 31.053 ( -2.225 -4.732 0.629) 5.267 31.952 ( -17.991 -0.017 -2.807) 18.209 32.006 ( -19.450 -5.572 -0.448) 20.237 32.969 ( 11.929 6.839 6.683) 15.288 33.065 ( 12.724 -3.084 5.706) 14.282 ======================= Grid point 99 (56/129) ======================= q-point: (-0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -11.895 19.296 -0.523) 22.674 1.343 ( -15.425 8.680 4.700) 18.313 1.716 ( -8.445 -10.168 -0.740) 13.239 1.836 ( -7.603 -8.023 1.940) 11.222 2.141 ( -8.744 10.527 -8.171) 15.938 2.348 ( -1.014 -6.159 -7.058) 9.422 2.596 ( -11.934 15.151 -1.828) 19.373 2.670 ( -5.151 4.287 4.980) 8.349 2.776 ( -2.142 -5.453 2.561) 6.394 2.873 ( -11.111 2.775 -1.537) 11.555 3.214 ( -11.231 -8.514 -1.352) 14.158 3.240 ( -0.413 -5.852 -1.813) 6.140 3.440 ( 7.554 7.899 4.567) 11.845 3.590 ( 3.262 -3.435 5.242) 7.066 3.806 ( 3.813 0.314 -1.905) 4.274 3.881 ( 2.821 -0.960 0.857) 3.101 4.031 ( 9.979 0.703 11.871) 15.524 4.102 ( 0.637 -4.888 2.753) 5.646 4.173 ( 5.514 3.851 -5.110) 8.447 4.234 ( 6.893 -2.345 0.889) 7.335 4.458 ( 1.714 8.024 5.607) 9.938 4.580 ( 9.041 -0.661 6.478) 11.142 4.659 ( 2.058 4.508 -6.422) 8.112 4.797 ( 3.738 -8.394 -5.720) 10.824 5.052 ( 0.892 2.883 -5.242) 6.049 5.218 ( 1.285 -11.166 -5.738) 12.620 5.539 ( 1.117 0.051 3.450) 3.627 5.553 ( 0.897 -1.081 3.202) 3.497 6.098 ( 4.325 4.564 -0.871) 6.348 6.172 ( 3.816 -2.107 -1.652) 4.662 6.487 ( -0.880 1.095 0.091) 1.408 6.519 ( -3.605 -1.819 1.755) 4.403 7.015 ( 2.051 3.613 1.197) 4.324 7.068 ( 0.416 -0.842 4.166) 4.270 7.316 ( 3.824 5.365 1.843) 6.841 7.433 ( 4.401 -4.768 3.453) 7.350 8.244 ( -3.013 3.083 -1.490) 4.561 8.307 ( -2.285 -2.986 -1.973) 4.246 8.413 ( -4.634 10.933 2.167) 12.071 8.664 ( -6.947 -14.361 -0.728) 15.969 9.833 ( -5.520 0.314 -0.384) 5.542 9.840 ( -5.295 -0.330 -1.071) 5.412 10.049 ( -1.968 0.861 -0.671) 2.250 10.064 ( -1.564 -0.567 -0.142) 1.669 10.509 ( -2.849 3.108 0.685) 4.272 10.574 ( -2.845 -3.107 -0.445) 4.236 10.708 ( -4.905 1.097 0.638) 5.066 10.729 ( -4.630 -0.868 1.141) 4.847 11.623 ( 1.128 1.751 -0.415) 2.124 11.653 ( 1.407 -1.118 -0.210) 1.809 11.851 ( 8.411 4.444 1.240) 9.594 11.900 ( 5.348 -1.020 2.050) 5.818 14.774 ( -0.291 -0.507 0.641) 0.868 14.785 ( 0.076 -1.514 -0.943) 1.785 14.899 ( 1.417 0.828 2.176) 2.726 14.915 ( 0.846 -0.799 3.163) 3.370 15.190 ( -0.758 3.186 -1.713) 3.696 15.255 ( 0.306 -2.860 -1.039) 3.058 15.454 ( 0.346 1.199 -0.346) 1.295 15.469 ( -0.130 -0.309 -0.044) 0.338 17.346 ( -1.152 0.789 -0.350) 1.440 17.375 ( -1.168 -2.117 -0.382) 2.448 17.468 ( 0.072 1.162 3.525) 3.712 17.490 ( 0.439 -1.011 1.571) 1.919 18.611 ( 0.851 3.767 1.780) 4.252 18.678 ( -0.262 -3.247 -0.544) 3.303 18.891 ( 2.669 5.028 -3.305) 6.582 18.998 ( 3.534 -5.198 -1.171) 6.393 27.846 ( 1.063 0.078 0.340) 1.119 27.853 ( 1.100 -0.548 1.217) 1.730 27.896 ( 0.341 1.013 -1.892) 2.173 27.916 ( 0.423 -0.866 -2.038) 2.255 29.198 ( -3.129 3.912 -3.202) 5.946 29.269 ( -4.228 -2.978 -5.560) 7.593 29.808 ( 10.029 9.000 -1.105) 13.520 29.966 ( 8.301 -6.768 3.292) 11.205 30.474 ( -5.463 2.232 -0.877) 5.966 30.514 ( -5.284 -1.725 -0.061) 5.558 30.911 ( -3.535 4.937 -0.011) 6.073 30.999 ( -7.341 -3.912 1.338) 8.425 31.627 ( -18.334 -1.838 -2.291) 18.568 31.680 ( -19.461 -6.847 0.231) 20.631 33.250 ( 14.053 5.775 4.577) 15.867 33.324 ( 12.968 -1.907 2.804) 13.404 ======================= Grid point 100 (57/129) ======================= q-point: (-0.08 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -7.513 21.269 6.201) 23.394 1.242 ( -6.059 17.934 6.809) 20.118 1.512 ( -12.593 -12.949 -0.778) 18.079 1.763 ( -4.799 -16.536 0.659) 17.231 1.971 ( -5.164 23.440 4.644) 24.447 2.292 ( -1.030 -6.420 -0.695) 6.539 2.493 ( -4.246 11.392 4.348) 12.911 2.679 ( -6.073 5.723 3.926) 9.222 2.723 ( 1.846 -3.558 2.323) 4.633 2.821 ( -0.666 0.284 5.211) 5.261 3.053 ( -9.464 -9.652 3.430) 13.946 3.211 ( -1.974 -11.976 1.496) 12.229 3.520 ( 2.334 5.877 -3.441) 7.199 3.684 ( 1.190 -10.648 -2.183) 10.935 3.813 ( 2.915 9.975 0.548) 10.407 3.943 ( 3.393 -2.828 1.111) 4.555 4.141 ( 0.837 7.197 -3.995) 8.273 4.172 ( 2.639 5.439 -4.465) 7.516 4.296 ( 4.829 -2.648 5.077) 7.491 4.369 ( 3.348 -6.041 6.121) 9.229 4.466 ( 0.413 5.115 -0.063) 5.132 4.612 ( 1.350 -6.896 -0.256) 7.031 4.809 ( 6.892 6.370 -1.658) 9.530 4.853 ( 9.556 3.816 3.196) 10.775 5.038 ( 1.373 -0.233 0.413) 1.452 5.187 ( 2.182 -10.759 -3.611) 11.556 5.594 ( -1.563 0.786 5.259) 5.542 5.619 ( -0.545 -1.167 5.208) 5.365 6.163 ( 7.033 2.976 -4.061) 8.649 6.213 ( 4.631 -1.255 -3.712) 6.066 6.446 ( -3.544 1.378 -1.129) 3.967 6.482 ( -2.818 -2.174 0.481) 3.592 7.025 ( 0.920 3.359 -4.002) 5.305 7.079 ( -0.410 -1.394 -2.618) 2.994 7.363 ( 1.366 4.875 -1.569) 5.300 7.494 ( 0.425 -7.229 -1.303) 7.358 8.148 ( -3.372 3.707 -3.718) 6.240 8.220 ( -4.600 -3.499 -3.913) 6.979 8.380 ( -2.388 4.846 0.636) 5.439 8.480 ( -8.224 -5.603 -4.560) 10.946 9.760 ( -3.382 0.151 0.859) 3.492 9.765 ( -2.942 -0.274 0.978) 3.113 10.034 ( -0.803 0.882 2.683) 2.936 10.057 ( -0.833 -1.194 2.491) 2.885 10.483 ( -1.665 2.270 0.993) 2.985 10.531 ( -1.724 -2.327 -0.347) 2.917 10.637 ( -4.072 1.461 0.333) 4.339 10.672 ( -3.554 -1.916 0.734) 4.103 11.636 ( 0.854 2.011 -0.334) 2.210 11.672 ( 0.977 -1.446 -0.031) 1.745 11.956 ( 4.498 2.466 -3.000) 5.942 11.994 ( 5.328 -0.851 -1.789) 5.684 14.764 ( -0.592 0.970 -0.105) 1.142 14.796 ( 0.963 -2.061 0.108) 2.277 14.932 ( 0.286 0.805 1.029) 1.338 14.948 ( -0.422 -0.731 1.776) 1.967 15.170 ( 0.209 4.066 -0.542) 4.107 15.255 ( 0.901 -4.104 -0.468) 4.227 15.449 ( 0.249 0.964 -1.474) 1.779 15.460 ( -0.439 -0.208 -0.749) 0.893 17.331 ( -0.244 0.851 -0.148) 0.898 17.359 ( -0.308 -1.949 -0.229) 1.986 17.512 ( -0.202 0.059 2.710) 2.718 17.517 ( 0.030 -0.379 1.896) 1.933 18.658 ( 0.076 0.216 1.036) 1.061 18.664 ( 0.012 -0.397 1.970) 2.009 18.916 ( 3.830 6.933 -1.021) 7.986 19.043 ( 2.880 -5.549 -0.194) 6.255 27.863 ( 0.938 0.234 -1.607) 1.875 27.866 ( 0.615 -0.011 -2.610) 2.681 27.900 ( 0.947 0.701 1.683) 2.054 27.916 ( 1.024 -0.734 1.239) 1.767 29.139 ( -1.286 2.220 -0.329) 2.586 29.170 ( -1.905 -0.830 -0.320) 2.103 29.975 ( 13.693 9.754 -3.267) 17.126 30.128 ( 8.092 -5.928 0.511) 10.044 30.404 ( -2.865 2.842 1.328) 4.248 30.458 ( -1.028 -2.492 1.114) 2.917 30.790 ( -12.919 0.939 -0.740) 12.975 30.823 ( -15.147 -2.278 1.233) 15.367 31.339 ( -15.384 2.611 3.079) 15.905 31.484 ( -5.226 -9.561 0.212) 10.899 33.455 ( 7.910 3.816 -1.775) 8.960 33.513 ( 9.779 -1.487 -3.669) 10.550 ======================= Grid point 125 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -2.257 0.000 25.102) 25.204 1.154 ( -1.524 0.000 28.310) 28.351 1.808 ( -1.815 0.000 27.891) 27.950 2.055 ( 4.946 0.000 -7.250) 8.776 2.237 ( 1.701 0.000 -4.138) 4.474 2.245 ( -4.246 0.000 17.584) 18.090 2.383 ( 6.823 0.000 1.490) 6.984 2.505 ( -4.345 0.000 3.658) 5.680 2.525 ( -3.473 0.000 -3.050) 4.622 2.950 ( 1.176 0.000 -0.660) 1.348 3.135 ( 0.326 0.000 -7.327) 7.334 3.413 ( -8.518 0.000 0.627) 8.541 3.485 ( 0.976 0.000 -4.583) 4.686 3.541 ( 0.664 0.000 -1.902) 2.014 3.692 ( -2.010 0.000 -1.217) 2.350 3.817 ( 4.497 0.000 -9.290) 10.321 4.079 ( -4.226 0.000 9.399) 10.306 4.361 ( -0.686 0.000 2.534) 2.625 4.444 ( -3.016 0.000 7.736) 8.304 4.648 ( 2.591 0.000 0.189) 2.598 4.656 ( 2.148 0.000 13.171) 13.345 4.833 ( 5.294 0.000 4.923) 7.229 4.869 ( -8.254 0.000 4.462) 9.383 5.001 ( -4.032 0.000 -0.077) 4.032 5.048 ( 0.734 0.000 2.684) 2.783 5.288 ( 4.868 0.000 -4.836) 6.862 5.608 ( 8.550 0.000 -0.341) 8.557 5.675 ( -8.334 0.000 -1.403) 8.452 6.064 ( -2.741 0.000 -6.250) 6.824 6.139 ( -1.615 0.000 -7.199) 7.378 6.310 ( 3.817 0.000 3.586) 5.237 6.391 ( 4.609 0.000 -1.248) 4.774 6.489 ( -4.057 0.000 -1.770) 4.426 6.921 ( -2.045 0.000 -11.763) 11.939 7.020 ( -0.199 0.000 -10.675) 10.677 7.170 ( -9.936 0.000 -7.875) 12.678 8.022 ( -1.386 0.000 -1.348) 1.934 8.061 ( 1.382 0.000 -1.049) 1.735 8.270 ( 9.222 0.000 -1.075) 9.285 8.392 ( -0.676 0.000 -0.833) 1.072 9.776 ( -0.261 0.000 1.932) 1.949 9.811 ( 0.042 0.000 1.193) 1.193 10.228 ( 0.394 0.000 7.353) 7.364 10.320 ( 0.882 0.000 0.774) 1.174 10.516 ( 0.952 0.000 -1.376) 1.673 10.603 ( -1.240 0.000 1.215) 1.736 10.685 ( 0.126 0.000 -0.267) 0.296 10.730 ( -2.219 0.000 -3.277) 3.957 11.531 ( -0.037 0.000 0.375) 0.377 11.577 ( 0.201 0.000 -0.847) 0.871 11.855 ( 0.208 0.000 -0.730) 0.759 11.901 ( -1.247 0.000 -2.262) 2.583 14.746 ( 1.564 0.000 1.687) 2.301 14.859 ( -0.908 0.000 -1.535) 1.783 14.916 ( 0.483 0.000 0.469) 0.673 14.927 ( -1.396 0.000 0.156) 1.405 15.193 ( 0.999 0.000 0.974) 1.395 15.203 ( 0.133 0.000 0.529) 0.545 15.445 ( -0.318 0.000 0.196) 0.374 15.449 ( -0.886 0.000 0.659) 1.104 17.348 ( 0.322 0.000 0.878) 0.935 17.414 ( 0.607 0.000 -1.272) 1.409 17.530 ( 1.375 0.000 0.156) 1.384 17.533 ( -9.343 0.000 0.433) 9.353 18.514 ( -1.180 0.000 2.821) 3.058 18.724 ( -1.141 0.000 -2.909) 3.125 19.077 ( 5.992 0.000 1.403) 6.154 19.165 ( -0.279 0.000 -0.788) 0.836 27.797 ( 0.352 0.000 -0.929) 0.993 27.851 ( 0.327 0.000 -2.055) 2.081 27.942 ( -0.954 0.000 1.557) 1.826 27.996 ( 1.854 0.000 -0.073) 1.856 29.099 ( 0.337 0.000 2.135) 2.161 29.302 ( -0.451 0.000 -3.937) 3.963 29.998 ( 37.331 0.000 2.505) 37.415 30.189 ( -11.206 0.000 -2.855) 11.564 30.362 ( 3.274 0.000 2.931) 4.394 30.555 ( -4.859 0.000 -2.885) 5.651 30.665 ( 7.407 0.000 -0.344) 7.415 30.682 ( -3.180 0.000 -1.322) 3.444 31.746 ( 11.434 0.000 1.718) 11.562 31.922 ( -38.697 0.000 -2.601) 38.785 32.590 ( 0.203 0.000 11.089) 11.091 33.263 ( 0.851 0.000 -9.914) 9.951 ======================= Grid point 126 (59/129) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 5.511 0.000 19.280) 20.052 1.451 ( -0.281 0.000 25.507) 25.508 2.071 ( 6.314 0.000 14.539) 15.851 2.138 ( 12.463 0.000 -5.214) 13.510 2.287 ( 7.789 0.000 -1.242) 7.887 2.296 ( -8.515 0.000 14.579) 16.883 2.358 ( -1.027 0.000 -11.798) 11.842 2.430 ( 0.618 0.000 -4.813) 4.853 2.563 ( 2.430 0.000 -0.205) 2.438 2.897 ( -2.081 0.000 -6.536) 6.859 3.232 ( 9.641 0.000 7.203) 12.035 3.350 ( -5.161 0.000 5.628) 7.637 3.523 ( 4.181 0.000 3.543) 5.480 3.531 ( -0.072 0.000 1.782) 1.784 3.565 ( -8.211 0.000 -6.013) 10.177 3.845 ( 10.919 0.000 -8.043) 13.561 4.099 ( -6.332 0.000 8.760) 10.809 4.339 ( -7.209 0.000 0.113) 7.210 4.442 ( -16.415 0.000 -1.570) 16.490 4.500 ( -10.449 0.000 12.621) 16.385 4.501 ( -13.627 0.000 2.812) 13.914 4.913 ( -2.220 0.000 7.804) 8.114 4.969 ( -0.002 0.000 6.042) 6.042 5.135 ( 14.992 0.000 -2.191) 15.151 5.137 ( 8.304 0.000 0.883) 8.351 5.281 ( 0.404 0.000 -5.288) 5.303 5.519 ( -6.496 0.000 -3.228) 7.253 5.752 ( 7.423 0.000 0.513) 7.440 5.953 ( -3.695 0.000 -1.706) 4.070 6.038 ( -1.415 0.000 -4.039) 4.280 6.322 ( -2.805 0.000 -6.109) 6.722 6.497 ( 7.664 0.000 0.772) 7.703 6.529 ( 6.793 0.000 5.436) 8.700 6.724 ( -2.808 0.000 -13.734) 14.018 6.960 ( 1.356 0.000 -2.683) 3.006 6.986 ( -4.955 0.000 -6.207) 7.942 8.020 ( 2.220 0.000 -0.719) 2.334 8.096 ( 4.066 0.000 -0.533) 4.101 8.357 ( -0.232 0.000 -2.923) 2.932 8.394 ( 8.833 0.000 -4.191) 9.777 9.814 ( 2.438 0.000 1.632) 2.933 9.832 ( 1.725 0.000 0.207) 1.737 10.294 ( -2.507 0.000 6.153) 6.644 10.324 ( -0.930 0.000 -0.133) 0.940 10.526 ( 1.915 0.000 -0.924) 2.126 10.599 ( -5.142 0.000 0.984) 5.235 10.641 ( 1.012 0.000 -1.866) 2.123 10.700 ( 1.756 0.000 0.262) 1.776 11.533 ( -0.327 0.000 0.457) 0.562 11.567 ( -0.102 0.000 -0.986) 0.991 11.832 ( -2.349 0.000 1.007) 2.556 11.845 ( -2.722 0.000 -1.909) 3.325 14.773 ( -0.778 0.000 1.589) 1.770 14.808 ( -2.464 0.000 -1.924) 3.126 14.900 ( -2.086 0.000 0.064) 2.087 14.924 ( -0.388 0.000 0.561) 0.682 15.217 ( 0.922 0.000 0.251) 0.956 15.227 ( 2.244 0.000 0.343) 2.270 15.450 ( 0.043 0.000 0.894) 0.895 15.451 ( 0.323 0.000 0.384) 0.502 17.367 ( 0.794 0.000 0.801) 1.128 17.410 ( 0.476 0.000 -1.244) 1.332 17.443 ( -3.818 0.000 2.089) 4.352 17.558 ( 0.897 0.000 1.578) 1.815 18.539 ( -0.358 0.000 4.080) 4.096 18.671 ( -1.011 0.000 -2.933) 3.102 19.127 ( -2.380 0.000 -2.043) 3.136 19.135 ( 0.909 0.000 0.624) 1.102 27.798 ( 0.491 0.000 -0.169) 0.519 27.830 ( 0.077 0.000 -1.959) 1.960 27.938 ( -1.418 0.000 1.046) 1.762 28.008 ( 0.505 0.000 -0.430) 0.663 29.144 ( 1.603 0.000 2.829) 3.251 29.255 ( 0.202 0.000 -3.904) 3.909 29.928 ( -13.174 0.000 -7.174) 15.001 30.364 ( 5.836 0.000 0.131) 5.837 30.495 ( 1.788 0.000 -2.887) 3.396 30.554 ( 9.038 0.000 1.875) 9.230 30.638 ( 9.051 0.000 -3.168) 9.589 30.783 ( 7.607 0.000 -2.203) 7.920 31.504 ( -14.041 0.000 2.058) 14.191 32.016 ( 15.291 0.000 7.742) 17.139 32.694 ( -3.129 0.000 11.247) 11.674 33.100 ( -5.682 0.000 -11.296) 12.645 ======================= Grid point 127 (60/129) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.644 0.000 11.112) 14.078 1.697 ( -0.812 0.000 19.777) 19.794 2.160 ( -4.834 0.000 -10.720) 11.760 2.204 ( 11.739 0.000 -18.270) 21.716 2.328 ( -0.173 0.000 7.929) 7.931 2.366 ( 8.535 0.000 8.370) 11.954 2.428 ( 10.950 0.000 -2.934) 11.336 2.550 ( 5.783 0.000 11.984) 13.306 2.599 ( 3.747 0.000 1.370) 3.990 2.778 ( -0.878 0.000 -6.069) 6.132 3.282 ( -11.251 0.000 -6.433) 12.960 3.341 ( -0.630 0.000 -3.475) 3.532 3.368 ( -3.251 0.000 -0.607) 3.307 3.552 ( 2.197 0.000 3.687) 4.292 3.763 ( 7.606 0.000 11.654) 13.917 3.939 ( 2.903 0.000 0.616) 2.967 4.053 ( -13.488 0.000 -5.835) 14.696 4.053 ( -6.591 0.000 -7.096) 9.685 4.175 ( -9.973 0.000 7.057) 12.217 4.471 ( 0.705 0.000 3.739) 3.805 4.565 ( -4.220 0.000 13.673) 14.309 4.943 ( -3.311 0.000 4.296) 5.423 4.993 ( -1.493 0.000 2.808) 3.181 5.148 ( -9.810 0.000 -1.221) 9.885 5.223 ( 3.325 0.000 -3.618) 4.914 5.328 ( 6.022 0.000 -0.092) 6.023 5.461 ( 6.118 0.000 -1.907) 6.408 5.761 ( -2.334 0.000 -4.404) 4.984 6.000 ( 3.274 0.000 8.048) 8.688 6.029 ( 1.546 0.000 2.807) 3.205 6.176 ( -1.799 0.000 -11.245) 11.388 6.515 ( -1.434 0.000 -11.769) 11.856 6.634 ( 4.137 0.000 -0.689) 4.194 6.716 ( 6.109 0.000 7.322) 9.536 6.863 ( -3.233 0.000 -3.032) 4.432 7.005 ( 1.901 0.000 5.739) 6.045 8.056 ( 3.417 0.000 -1.983) 3.951 8.161 ( 4.681 0.000 -1.329) 4.866 8.348 ( 2.516 0.000 -0.611) 2.589 8.443 ( 2.804 0.000 -4.006) 4.889 9.875 ( 3.515 0.000 0.089) 3.516 9.887 ( 4.742 0.000 1.013) 4.849 10.272 ( -6.672 0.000 2.994) 7.313 10.283 ( -2.828 0.000 -1.306) 3.115 10.532 ( -2.030 0.000 0.740) 2.161 10.553 ( 2.825 0.000 -1.141) 3.047 10.687 ( 3.731 0.000 -0.085) 3.732 10.744 ( 2.874 0.000 0.911) 3.015 11.530 ( -0.685 0.000 0.466) 0.829 11.554 ( -0.056 0.000 -0.974) 0.975 11.775 ( -3.524 0.000 -1.438) 3.806 11.813 ( -2.485 0.000 2.312) 3.394 14.759 ( -0.981 0.000 -1.364) 1.680 14.769 ( -1.720 0.000 1.756) 2.457 14.868 ( -1.841 0.000 0.352) 1.875 14.915 ( -1.488 0.000 0.742) 1.662 15.232 ( 1.007 0.000 -0.455) 1.105 15.265 ( 2.546 0.000 -0.637) 2.625 15.460 ( 0.192 0.000 0.100) 0.217 15.462 ( -0.320 0.000 1.414) 1.450 17.387 ( 0.835 0.000 0.356) 0.908 17.406 ( -0.018 0.000 0.542) 0.543 17.440 ( 1.186 0.000 -0.106) 1.191 17.594 ( 0.166 0.000 3.274) 3.278 18.592 ( 0.445 0.000 4.857) 4.877 18.631 ( -0.403 0.000 -2.093) 2.132 19.045 ( -3.801 0.000 -3.575) 5.218 19.133 ( -1.634 0.000 0.111) 1.638 27.805 ( 0.158 0.000 0.101) 0.187 27.814 ( 0.530 0.000 -1.435) 1.530 27.917 ( -2.220 0.000 0.193) 2.228 28.007 ( 0.041 0.000 -0.554) 0.555 29.207 ( 1.973 0.000 3.097) 3.673 29.222 ( 0.649 0.000 -3.381) 3.442 29.646 ( -9.711 0.000 -8.940) 13.199 30.304 ( -11.527 0.000 2.291) 11.753 30.519 ( 4.722 0.000 -3.137) 5.669 30.650 ( 9.892 0.000 -3.015) 10.341 30.845 ( 6.926 0.000 5.466) 8.823 30.864 ( 6.833 0.000 -3.210) 7.549 31.466 ( 8.838 0.000 -4.165) 9.770 32.373 ( 13.903 0.000 11.936) 18.323 32.746 ( -4.461 0.000 9.777) 10.746 32.853 ( -8.924 0.000 -10.966) 14.138 ======================= Grid point 128 (61/129) ======================= q-point: ( 0.25 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.487 0.000 -3.413) 8.228 1.850 ( -0.409 0.000 6.388) 6.401 1.984 ( -4.685 0.000 -3.157) 5.650 2.105 ( 0.037 0.000 -16.409) 16.409 2.432 ( 0.106 0.000 11.676) 11.676 2.459 ( -0.215 0.000 -3.843) 3.849 2.546 ( 0.284 0.000 8.410) 8.415 2.717 ( 10.338 0.000 -3.186) 10.818 2.745 ( 12.419 0.000 -1.919) 12.566 2.863 ( 2.798 0.000 8.035) 8.508 2.987 ( -9.904 0.000 -4.345) 10.815 3.228 ( -3.795 0.000 -7.076) 8.029 3.370 ( -0.283 0.000 2.690) 2.705 3.535 ( -11.965 0.000 -4.093) 12.646 3.787 ( -2.027 0.000 3.428) 3.982 3.856 ( -9.032 0.000 3.523) 9.695 3.963 ( 2.955 0.000 6.729) 7.349 4.083 ( 11.986 0.000 -7.786) 14.293 4.240 ( 0.876 0.000 10.390) 10.427 4.506 ( 1.930 0.000 -4.300) 4.713 4.641 ( 0.983 0.000 4.403) 4.512 4.900 ( -6.893 0.000 1.554) 7.066 4.979 ( -6.275 0.000 -1.738) 6.512 4.982 ( -2.578 0.000 -1.728) 3.103 5.216 ( 3.820 0.000 -2.858) 4.771 5.361 ( 2.218 0.000 -1.662) 2.771 5.601 ( 5.895 0.000 0.862) 5.957 5.663 ( -4.604 0.000 -1.975) 5.010 6.034 ( 2.436 0.000 -11.039) 11.305 6.124 ( 0.715 0.000 5.255) 5.304 6.191 ( 5.131 0.000 15.303) 16.140 6.377 ( 0.847 0.000 -8.708) 8.749 6.659 ( 0.850 0.000 -2.123) 2.287 6.760 ( -4.772 0.000 2.537) 5.405 6.928 ( 6.981 0.000 4.553) 8.334 7.105 ( -2.946 0.000 10.601) 11.003 8.076 ( 2.995 0.000 -2.891) 4.162 8.196 ( 2.338 0.000 -3.140) 3.914 8.402 ( -2.984 0.000 -1.693) 3.431 8.431 ( 4.172 0.000 4.958) 6.479 9.943 ( 4.548 0.000 0.394) 4.565 9.984 ( 6.293 0.000 0.235) 6.298 10.163 ( -8.261 0.000 0.033) 8.261 10.232 ( -0.969 0.000 -1.554) 1.832 10.542 ( 1.155 0.000 1.142) 1.624 10.589 ( 3.654 0.000 -1.636) 4.004 10.742 ( 3.033 0.000 -0.086) 3.034 10.807 ( 3.060 0.000 1.526) 3.419 11.523 ( -0.784 0.000 0.545) 0.955 11.546 ( 0.326 0.000 -0.710) 0.781 11.708 ( -2.891 0.000 -0.972) 3.050 11.798 ( -2.860 0.000 2.393) 3.730 14.744 ( -0.071 0.000 -0.348) 0.355 14.763 ( -1.300 0.000 1.681) 2.125 14.864 ( 0.541 0.000 1.383) 1.485 14.900 ( -1.495 0.000 0.884) 1.737 15.238 ( 0.950 0.000 -1.105) 1.457 15.289 ( 1.888 0.000 -1.700) 2.541 15.456 ( -0.765 0.000 0.138) 0.777 15.469 ( -0.880 0.000 1.451) 1.697 17.403 ( 0.999 0.000 -0.025) 1.000 17.422 ( 0.678 0.000 1.099) 1.291 17.469 ( 3.303 0.000 -1.194) 3.512 17.629 ( -1.146 0.000 3.769) 3.940 18.611 ( 0.159 0.000 -1.309) 1.319 18.652 ( 0.409 0.000 4.151) 4.171 18.935 ( -3.734 0.000 -4.616) 5.937 19.088 ( -3.315 0.000 -0.842) 3.420 27.799 ( -0.853 0.000 -0.518) 0.998 27.817 ( 1.285 0.000 -0.713) 1.469 27.876 ( -2.280 0.000 -0.354) 2.307 27.995 ( -0.574 0.000 -0.880) 1.051 29.198 ( 0.607 0.000 -2.633) 2.702 29.269 ( 1.496 0.000 2.591) 2.992 29.446 ( -3.782 0.000 -6.745) 7.733 30.131 ( -12.126 0.000 1.898) 12.273 30.560 ( 4.582 0.000 -3.054) 5.507 30.751 ( 5.646 0.000 -2.180) 6.053 30.936 ( 6.634 0.000 -3.184) 7.358 30.985 ( 3.314 0.000 5.542) 6.457 31.641 ( 17.436 0.000 -3.690) 17.822 32.597 ( -8.238 0.000 -8.876) 12.109 32.626 ( -1.445 0.000 10.470) 10.569 32.838 ( 5.107 0.000 9.311) 10.620 ======================= Grid point 129 (62/129) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -2.369 0.000 -15.258) 15.441 1.780 ( 4.838 0.000 -11.502) 12.478 1.957 ( -3.164 0.000 3.436) 4.671 1.999 ( -4.901 0.000 4.172) 6.437 2.427 ( -0.877 0.000 -1.514) 1.749 2.526 ( -5.795 0.000 6.859) 8.979 2.571 ( -8.217 0.000 12.023) 14.563 2.632 ( -9.029 0.000 -8.342) 12.293 2.843 ( 12.323 0.000 -5.702) 13.578 2.979 ( 5.381 0.000 2.339) 5.867 3.019 ( -11.124 0.000 -7.854) 13.617 3.107 ( 8.382 0.000 8.789) 12.145 3.395 ( 6.432 0.000 -5.223) 8.285 3.396 ( -0.187 0.000 2.347) 2.354 3.773 ( -5.850 0.000 1.675) 6.085 3.822 ( -4.304 0.000 5.350) 6.866 4.096 ( 5.530 0.000 5.326) 7.678 4.198 ( 9.610 0.000 -4.759) 10.724 4.346 ( -3.827 0.000 11.673) 12.285 4.428 ( -1.085 0.000 -8.888) 8.954 4.710 ( 3.351 0.000 -1.961) 3.883 4.758 ( -8.950 0.000 -0.590) 8.970 4.856 ( 0.160 0.000 -11.053) 11.054 4.935 ( -1.362 0.000 0.073) 1.364 5.329 ( 12.011 0.000 -1.942) 12.167 5.366 ( 2.513 0.000 -4.562) 5.208 5.586 ( -3.971 0.000 1.350) 4.194 5.621 ( 1.319 0.000 -4.892) 5.066 5.994 ( 1.474 0.000 -2.509) 2.910 6.107 ( -3.138 0.000 -1.576) 3.512 6.379 ( 3.589 0.000 -1.654) 3.952 6.495 ( 8.311 0.000 12.019) 14.613 6.639 ( 0.239 0.000 -0.384) 0.452 6.738 ( -4.874 0.000 9.782) 10.929 7.067 ( 5.235 0.000 2.213) 5.684 7.111 ( -9.030 0.000 7.831) 11.953 8.096 ( 1.728 0.000 -0.684) 1.858 8.158 ( -1.653 0.000 -3.586) 3.948 8.348 ( -2.829 0.000 1.570) 3.236 8.560 ( 1.427 0.000 8.559) 8.677 10.018 ( 3.802 0.000 0.294) 3.813 10.045 ( -5.217 0.000 -0.264) 5.223 10.082 ( 5.916 0.000 -0.785) 5.968 10.216 ( 0.884 0.000 -1.570) 1.802 10.577 ( 1.475 0.000 1.026) 1.797 10.629 ( 3.560 0.000 -1.857) 4.015 10.782 ( 2.087 0.000 0.157) 2.092 10.868 ( 1.975 0.000 1.764) 2.649 11.519 ( -0.602 0.000 0.734) 0.949 11.549 ( 0.691 0.000 -0.383) 0.790 11.666 ( -1.377 0.000 -0.489) 1.462 11.772 ( -3.292 0.000 1.716) 3.713 14.742 ( -0.211 0.000 0.427) 0.476 14.765 ( -0.759 0.000 1.555) 1.731 14.885 ( -1.286 0.000 0.284) 1.317 14.911 ( 1.930 0.000 2.484) 3.146 15.242 ( 1.132 0.000 -1.082) 1.566 15.286 ( 1.073 0.000 -2.931) 3.121 15.442 ( -1.258 0.000 0.407) 1.322 15.467 ( -1.210 0.000 1.262) 1.749 17.421 ( 1.317 0.000 -0.092) 1.320 17.447 ( 0.802 0.000 1.149) 1.401 17.515 ( 4.134 0.000 -1.470) 4.387 17.631 ( -2.872 0.000 1.943) 3.467 18.601 ( 0.311 0.000 -1.393) 1.427 18.688 ( -0.535 0.000 2.184) 2.249 18.844 ( -1.491 0.000 -3.300) 3.621 19.019 ( -3.413 0.000 -1.208) 3.621 27.770 ( -1.180 0.000 -0.729) 1.387 27.839 ( 2.000 0.000 -0.079) 2.002 27.849 ( -1.043 0.000 0.196) 1.061 27.968 ( -1.243 0.000 -1.272) 1.778 29.185 ( 0.843 0.000 -1.631) 1.836 29.306 ( 0.319 0.000 1.092) 1.138 29.377 ( 0.971 0.000 -2.049) 2.267 29.977 ( -9.552 0.000 1.763) 9.714 30.595 ( 3.790 0.000 -2.615) 4.605 30.786 ( 1.044 0.000 -0.454) 1.138 31.000 ( 5.378 0.000 -2.765) 6.047 31.065 ( 2.219 0.000 0.325) 2.243 31.912 ( 17.467 0.000 1.326) 17.517 32.417 ( -4.239 0.000 -4.745) 6.363 32.638 ( -6.104 0.000 6.249) 8.735 33.017 ( 2.801 0.000 6.830) 7.382 ======================= Grid point 130 (63/129) ======================= q-point: ( 0.42 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 6.829 0.000 -1.311) 6.954 1.767 ( 4.108 0.000 -4.384) 6.008 1.930 ( -0.732 0.000 -0.853) 1.124 1.974 ( -4.154 0.000 4.405) 6.055 2.357 ( -4.810 0.000 -4.157) 6.357 2.437 ( -4.447 0.000 -5.761) 7.278 2.446 ( -5.059 0.000 1.396) 5.248 2.576 ( -8.017 0.000 10.159) 12.942 2.796 ( -2.412 0.000 -4.834) 5.402 3.004 ( 7.541 0.000 -1.319) 7.655 3.018 ( -2.444 0.000 0.921) 2.612 3.284 ( 2.335 0.000 3.085) 3.869 3.445 ( 4.646 0.000 2.252) 5.163 3.508 ( 10.912 0.000 -3.868) 11.577 3.699 ( -4.049 0.000 -0.453) 4.074 3.761 ( -7.098 0.000 1.326) 7.221 4.212 ( 2.200 0.000 -1.047) 2.436 4.249 ( -0.527 0.000 1.120) 1.238 4.334 ( 1.351 0.000 -2.723) 3.040 4.378 ( -6.119 0.000 5.146) 7.996 4.578 ( -5.274 0.000 -5.861) 7.885 4.624 ( -7.942 0.000 0.368) 7.950 4.892 ( -2.449 0.000 -2.250) 3.325 4.904 ( 14.967 0.000 -11.094) 18.631 5.351 ( 3.297 0.000 -5.323) 6.261 5.431 ( 0.869 0.000 -3.047) 3.168 5.581 ( 0.094 0.000 -3.798) 3.800 5.637 ( 11.760 0.000 -0.958) 11.799 5.998 ( -0.604 0.000 1.180) 1.326 6.057 ( -3.149 0.000 2.259) 3.876 6.338 ( -3.930 0.000 -5.041) 6.392 6.573 ( -2.252 0.000 -2.273) 3.200 6.728 ( 6.652 0.000 5.756) 8.797 6.861 ( -1.759 0.000 14.196) 14.304 7.030 ( -8.729 0.000 5.264) 10.194 7.153 ( 3.199 0.000 1.559) 3.559 8.100 ( -0.811 0.000 -0.151) 0.825 8.102 ( -1.254 0.000 -0.954) 1.576 8.363 ( 0.986 0.000 4.597) 4.702 8.647 ( -2.784 0.000 8.433) 8.881 9.994 ( -1.328 0.000 0.977) 1.648 10.074 ( 1.908 0.000 0.737) 2.046 10.142 ( 3.220 0.000 -1.924) 3.751 10.216 ( 1.313 0.000 -1.667) 2.121 10.604 ( 0.412 0.000 0.848) 0.942 10.657 ( 2.590 0.000 -1.895) 3.209 10.815 ( 1.564 0.000 0.717) 1.720 10.902 ( -0.008 0.000 1.305) 1.305 11.521 ( -0.411 0.000 0.919) 1.006 11.557 ( 0.674 0.000 -0.292) 0.735 11.654 ( 0.219 0.000 0.072) 0.231 11.736 ( -3.007 0.000 0.988) 3.166 14.749 ( 0.100 0.000 0.931) 0.937 14.774 ( -0.420 0.000 1.758) 1.807 14.862 ( -1.247 0.000 -0.720) 1.440 14.956 ( -0.237 0.000 1.998) 2.012 15.251 ( 1.115 0.000 -0.574) 1.254 15.267 ( 1.500 0.000 -3.429) 3.742 15.430 ( -0.840 0.000 0.646) 1.060 15.459 ( -1.406 0.000 1.030) 1.743 17.440 ( 1.015 0.000 -0.082) 1.019 17.471 ( 0.415 0.000 1.119) 1.193 17.558 ( 3.236 0.000 -1.656) 3.635 17.588 ( -3.208 0.000 -0.145) 3.211 18.588 ( 0.389 0.000 -1.728) 1.772 18.682 ( -2.099 0.000 0.363) 2.130 18.819 ( 1.225 0.000 -0.887) 1.513 18.964 ( -1.760 0.000 -0.952) 2.002 27.764 ( 0.485 0.000 0.922) 1.042 27.841 ( -0.525 0.000 0.504) 0.728 27.874 ( 2.208 0.000 0.082) 2.209 27.931 ( -1.405 0.000 -1.435) 2.008 29.189 ( 1.344 0.000 -0.653) 1.494 29.301 ( -1.104 0.000 -0.688) 1.301 29.420 ( 3.700 0.000 2.546) 4.491 29.867 ( -6.578 0.000 1.392) 6.724 30.624 ( 3.031 0.000 -1.906) 3.581 30.782 ( -0.940 0.000 -0.406) 1.024 31.045 ( 4.065 0.000 -2.322) 4.681 31.063 ( -0.233 0.000 -2.963) 2.972 32.208 ( 14.621 0.000 5.174) 15.509 32.364 ( 0.299 0.000 0.660) 0.724 32.594 ( -6.096 0.000 3.258) 6.912 33.051 ( -3.922 0.000 1.012) 4.051 ======================= Grid point 131 (64/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 1.448 0.000 1.256) 1.917 1.865 ( 6.118 0.000 6.653) 9.038 1.930 ( 1.514 0.000 -1.036) 1.835 1.941 ( -1.717 0.000 2.276) 2.851 2.228 ( 0.024 0.000 -8.002) 8.002 2.363 ( 0.474 0.000 -2.090) 2.143 2.479 ( 8.342 0.000 -0.679) 8.369 2.582 ( -5.666 0.000 10.874) 12.262 2.734 ( 0.653 0.000 -6.536) 6.569 2.949 ( -4.943 0.000 0.032) 4.944 3.075 ( 1.555 0.000 1.637) 2.258 3.267 ( -4.050 0.000 -0.795) 4.127 3.541 ( -1.428 0.000 -7.044) 7.188 3.554 ( 4.250 0.000 1.809) 4.619 3.648 ( -0.797 0.000 -1.114) 1.370 3.714 ( 3.309 0.000 -0.367) 3.329 4.149 ( -0.720 0.000 -5.854) 5.898 4.175 ( -8.442 0.000 -4.785) 9.704 4.257 ( -10.906 0.000 7.485) 13.227 4.389 ( -2.330 0.000 5.223) 5.719 4.509 ( -5.722 0.000 -0.519) 5.746 4.563 ( 5.784 0.000 -2.797) 6.425 4.836 ( -0.134 0.000 -2.256) 2.260 4.986 ( 8.356 0.000 -8.693) 12.058 5.366 ( 4.975 0.000 -3.611) 6.147 5.372 ( -1.713 0.000 -3.145) 3.581 5.532 ( -2.789 0.000 -1.658) 3.245 5.784 ( 7.372 0.000 -7.678) 10.644 5.989 ( -2.850 0.000 1.912) 3.432 6.049 ( -3.795 0.000 5.586) 6.753 6.242 ( 1.512 0.000 -2.112) 2.597 6.476 ( -4.111 0.000 -3.051) 5.120 6.912 ( 5.045 0.000 6.724) 8.406 6.945 ( -1.131 0.000 7.039) 7.129 6.993 ( -2.291 0.000 5.862) 6.294 7.160 ( -4.569 0.000 -0.541) 4.601 8.075 ( -0.856 0.000 -0.954) 1.282 8.110 ( 3.082 0.000 -0.196) 3.088 8.492 ( 5.568 0.000 8.462) 10.129 8.659 ( -5.292 0.000 5.520) 7.647 10.006 ( -0.037 0.000 2.125) 2.125 10.098 ( -0.011 0.000 1.004) 1.004 10.138 ( -0.419 0.000 -2.357) 2.394 10.216 ( 0.942 0.000 -2.032) 2.240 10.607 ( -1.248 0.000 0.775) 1.470 10.668 ( 1.296 0.000 -1.775) 2.198 10.848 ( 1.065 0.000 1.293) 1.675 10.895 ( -1.947 0.000 0.456) 1.999 11.525 ( -0.343 0.000 0.880) 0.945 11.562 ( 0.528 0.000 -0.365) 0.642 11.675 ( 1.656 0.000 0.926) 1.898 11.701 ( -2.320 0.000 0.295) 2.339 14.763 ( 0.251 0.000 0.973) 1.005 14.791 ( -0.468 0.000 2.267) 2.314 14.837 ( -0.459 0.000 -0.717) 0.852 14.941 ( -2.711 0.000 0.092) 2.712 15.257 ( 0.151 0.000 -0.669) 0.686 15.267 ( 2.552 0.000 -2.278) 3.421 15.433 ( 0.225 0.000 0.880) 0.908 15.444 ( -1.666 0.000 0.715) 1.813 17.445 ( -0.352 0.000 0.042) 0.355 17.482 ( -0.565 0.000 1.041) 1.185 17.544 ( -1.713 0.000 -0.257) 1.732 17.573 ( 1.179 0.000 -2.067) 2.380 18.586 ( 1.377 0.000 -0.674) 1.533 18.630 ( -3.636 0.000 -1.188) 3.825 18.855 ( 2.987 0.000 0.597) 3.046 18.939 ( -0.013 0.000 -1.478) 1.479 27.797 ( 1.306 0.000 1.669) 2.120 27.844 ( -0.103 0.000 0.940) 0.946 27.887 ( -0.892 0.000 -1.056) 1.382 27.914 ( 1.717 0.000 -0.721) 1.863 29.213 ( 1.930 0.000 0.119) 1.933 29.262 ( -1.960 0.000 -1.569) 2.511 29.542 ( 5.369 0.000 5.876) 7.960 29.786 ( -4.513 0.000 -0.633) 4.558 30.649 ( 2.091 0.000 -0.851) 2.257 30.746 ( -2.152 0.000 -1.807) 2.810 31.008 ( -1.792 0.000 -3.186) 3.655 31.081 ( 3.743 0.000 -2.225) 4.355 32.424 ( 2.997 0.000 4.694) 5.569 32.489 ( 11.338 0.000 7.930) 13.836 32.512 ( -7.089 0.000 0.770) 7.131 32.927 ( -8.958 0.000 -4.075) 9.842 ======================= Grid point 132 (65/129) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -16.561 0.000 -1.814) 16.660 1.833 ( -2.721 0.000 4.233) 5.032 1.934 ( -1.765 0.000 2.079) 2.727 2.098 ( 7.527 0.000 -4.780) 8.916 2.246 ( 7.437 0.000 0.061) 7.438 2.378 ( 3.332 0.000 -1.458) 3.637 2.541 ( 5.396 0.000 -14.364) 15.344 2.593 ( -5.304 0.000 2.796) 5.996 2.742 ( 4.999 0.000 5.207) 7.218 2.944 ( 3.084 0.000 3.375) 4.572 3.099 ( -0.733 0.000 1.338) 1.525 3.175 ( -5.530 0.000 -0.435) 5.547 3.469 ( 3.122 0.000 -2.395) 3.934 3.608 ( 1.668 0.000 0.374) 1.709 3.641 ( 0.333 0.000 -0.766) 0.835 3.747 ( 2.140 0.000 -4.088) 4.614 3.989 ( -8.314 0.000 -1.159) 8.394 4.106 ( -0.046 0.000 -0.447) 0.449 4.190 ( -8.262 0.000 7.500) 11.158 4.327 ( -11.227 0.000 8.000) 13.786 4.436 ( -2.838 0.000 -3.289) 4.344 4.608 ( 3.026 0.000 -3.937) 4.965 4.851 ( 4.222 0.000 -2.148) 4.737 4.966 ( -0.825 0.000 -5.030) 5.097 5.336 ( 1.728 0.000 -3.382) 3.797 5.399 ( -1.080 0.000 -1.278) 1.674 5.464 ( 0.069 0.000 -1.909) 1.910 5.682 ( -4.417 0.000 -8.382) 9.474 5.976 ( -1.080 0.000 3.658) 3.814 6.054 ( -3.035 0.000 5.128) 5.959 6.366 ( 11.243 0.000 0.741) 11.267 6.421 ( 0.342 0.000 -1.262) 1.307 6.964 ( -8.653 0.000 0.181) 8.655 6.998 ( 1.526 0.000 4.076) 4.352 7.057 ( 0.126 0.000 1.233) 1.239 7.097 ( 1.762 0.000 7.482) 7.686 8.074 ( 2.027 0.000 -0.356) 2.058 8.180 ( 5.102 0.000 -0.253) 5.108 8.608 ( -5.913 0.000 1.550) 6.112 8.704 ( 8.208 0.000 8.494) 11.812 10.017 ( -1.649 0.000 1.505) 2.233 10.086 ( -2.954 0.000 -1.797) 3.457 10.103 ( -1.029 0.000 1.624) 1.923 10.193 ( -0.452 0.000 -2.927) 2.962 10.584 ( -2.778 0.000 1.051) 2.971 10.659 ( 0.049 0.000 -1.577) 1.577 10.856 ( -2.999 0.000 -0.072) 3.000 10.873 ( -0.227 0.000 1.532) 1.549 11.529 ( -0.233 0.000 0.719) 0.755 11.567 ( 0.683 0.000 -0.378) 0.781 11.667 ( -1.782 0.000 -0.325) 1.811 11.725 ( 2.785 0.000 1.568) 3.196 14.777 ( 0.206 0.000 0.948) 0.971 14.800 ( -0.443 0.000 0.893) 0.997 14.851 ( 1.031 0.000 2.618) 2.814 14.892 ( -2.317 0.000 -0.714) 2.425 15.237 ( -1.070 0.000 -1.533) 1.869 15.286 ( 1.925 0.000 -1.600) 2.503 15.425 ( -1.479 0.000 0.704) 1.638 15.452 ( 0.662 0.000 0.899) 1.117 17.434 ( -1.537 0.000 0.793) 1.729 17.476 ( -1.620 0.000 1.047) 1.929 17.524 ( -0.796 0.000 -0.153) 0.810 17.553 ( -0.527 0.000 -2.017) 2.085 18.553 ( -3.707 0.000 -1.324) 3.937 18.621 ( 2.571 0.000 1.193) 2.834 18.917 ( 3.706 0.000 0.587) 3.753 18.919 ( 0.486 0.000 -3.162) 3.199 27.830 ( 0.694 0.000 1.344) 1.512 27.858 ( 0.337 0.000 0.974) 1.031 27.861 ( -0.574 0.000 -1.147) 1.283 27.929 ( 1.408 0.000 -1.590) 2.124 29.211 ( -2.125 0.000 -1.486) 2.593 29.251 ( 2.363 0.000 0.571) 2.431 29.696 ( -3.606 0.000 -4.367) 5.664 29.711 ( 6.247 0.000 7.188) 9.523 30.670 ( 0.729 0.000 0.372) 0.818 30.673 ( -3.104 0.000 -3.524) 4.696 30.944 ( -3.045 0.000 -1.134) 3.249 31.117 ( 3.885 0.000 -2.335) 4.532 32.382 ( -9.202 0.000 -1.229) 9.284 32.545 ( 3.203 0.000 7.647) 8.291 32.696 ( -11.366 0.000 -6.895) 13.293 32.752 ( 9.989 0.000 8.585) 13.172 ======================= Grid point 133 (66/129) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -20.692 0.000 -0.456) 20.697 1.631 ( -22.070 0.000 -4.168) 22.460 1.992 ( 1.985 0.000 5.533) 5.878 2.150 ( 9.644 0.000 -7.789) 12.396 2.338 ( 3.226 0.000 2.863) 4.313 2.432 ( 3.238 0.000 0.141) 3.241 2.439 ( 1.505 0.000 -11.745) 11.841 2.490 ( -11.606 0.000 4.935) 12.612 2.811 ( -4.203 0.000 -2.329) 4.805 3.053 ( 4.349 0.000 -0.082) 4.350 3.112 ( -1.249 0.000 -0.440) 1.324 3.119 ( 2.955 0.000 3.366) 4.479 3.585 ( 9.240 0.000 0.926) 9.286 3.628 ( 0.523 0.000 1.481) 1.571 3.661 ( 3.850 0.000 0.549) 3.889 3.744 ( 4.151 0.000 -1.669) 4.474 3.885 ( -7.601 0.000 3.712) 8.459 4.102 ( -3.521 0.000 1.887) 3.994 4.189 ( -2.439 0.000 7.716) 8.092 4.270 ( -5.488 0.000 6.858) 8.784 4.360 ( -3.122 0.000 1.054) 3.296 4.552 ( -3.563 0.000 -4.304) 5.588 4.875 ( -5.261 0.000 -1.351) 5.432 4.889 ( 4.774 0.000 -4.368) 6.470 5.304 ( -5.559 0.000 -0.739) 5.608 5.322 ( 0.233 0.000 -3.732) 3.739 5.505 ( 5.326 0.000 -2.213) 5.768 5.554 ( -1.000 0.000 -5.064) 5.162 6.059 ( 3.919 0.000 5.928) 7.107 6.070 ( -1.343 0.000 3.952) 4.174 6.432 ( 1.935 0.000 -1.371) 2.372 6.529 ( 7.201 0.000 0.101) 7.202 6.761 ( -10.897 0.000 -2.507) 11.181 7.069 ( 2.285 0.000 1.656) 2.822 7.159 ( 6.650 0.000 3.402) 7.470 7.193 ( 1.945 0.000 6.075) 6.378 8.127 ( 3.188 0.000 1.373) 3.471 8.243 ( 2.693 0.000 -0.382) 2.720 8.511 ( -5.497 0.000 -2.287) 5.954 8.922 ( 9.476 0.000 4.212) 10.370 9.985 ( -3.990 0.000 0.931) 4.097 10.009 ( -4.701 0.000 -0.823) 4.773 10.101 ( -1.564 0.000 1.643) 2.269 10.135 ( -1.967 0.000 -4.001) 4.459 10.548 ( -3.419 0.000 1.795) 3.862 10.635 ( -0.946 0.000 -1.471) 1.749 10.805 ( -3.123 0.000 -0.073) 3.124 10.867 ( -2.722 0.000 1.339) 3.033 11.533 ( -0.208 0.000 0.490) 0.532 11.574 ( 0.663 0.000 -0.525) 0.846 11.643 ( -0.588 0.000 -0.198) 0.621 11.795 ( 3.610 0.000 1.526) 3.919 14.792 ( 0.152 0.000 1.267) 1.276 14.808 ( 0.797 0.000 0.067) 0.799 14.865 ( -0.072 0.000 -0.394) 0.400 14.918 ( 1.503 0.000 5.194) 5.407 15.190 ( -1.895 0.000 -2.528) 3.159 15.277 ( -0.552 0.000 -2.008) 2.082 15.424 ( 0.134 0.000 1.234) 1.241 15.468 ( 0.074 0.000 0.653) 0.657 17.414 ( -2.389 0.000 1.083) 2.623 17.464 ( -1.535 0.000 1.835) 2.392 17.511 ( -0.481 0.000 -0.399) 0.625 17.521 ( -1.210 0.000 -0.710) 1.403 18.496 ( -2.344 0.000 0.187) 2.352 18.685 ( 2.741 0.000 2.209) 3.520 18.874 ( -0.414 0.000 -5.308) 5.324 18.982 ( 3.983 0.000 0.035) 3.983 27.844 ( 0.209 0.000 -1.410) 1.425 27.855 ( 0.430 0.000 1.772) 1.823 27.866 ( -0.045 0.000 -0.203) 0.208 27.922 ( 0.772 0.000 -2.654) 2.764 29.164 ( -2.000 0.000 -0.957) 2.218 29.298 ( 2.442 0.000 0.697) 2.539 29.567 ( -3.809 0.000 -8.262) 9.097 29.890 ( 6.387 0.000 6.421) 9.057 30.574 ( -4.066 0.000 -3.527) 5.382 30.673 ( -1.678 0.000 0.988) 1.947 30.885 ( -4.140 0.000 0.739) 4.206 31.153 ( 3.621 0.000 -1.876) 4.078 32.172 ( -14.021 0.000 -4.280) 14.660 32.457 ( -7.890 0.000 -5.724) 9.747 32.693 ( 3.611 0.000 9.057) 9.751 32.999 ( 9.427 0.000 7.467) 12.026 ======================= Grid point 134 (67/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -21.770 0.000 5.721) 22.509 1.153 ( -26.631 0.000 -5.792) 27.254 2.005 ( -19.478 0.000 11.694) 22.718 2.226 ( 9.884 0.000 -7.901) 12.654 2.284 ( -8.125 0.000 2.444) 8.484 2.356 ( -4.577 0.000 4.037) 6.103 2.402 ( -3.601 0.000 -1.448) 3.881 2.566 ( 5.207 0.000 8.186) 9.702 2.619 ( -10.058 0.000 -3.369) 10.608 3.021 ( -1.457 0.000 -8.547) 8.671 3.136 ( 5.907 0.000 1.335) 6.056 3.251 ( 7.548 0.000 1.202) 7.644 3.691 ( 6.001 0.000 -4.417) 7.451 3.702 ( 7.906 0.000 -3.726) 8.740 3.764 ( 3.529 0.000 6.396) 7.305 3.772 ( -5.465 0.000 0.814) 5.525 3.820 ( -7.374 0.000 7.757) 10.703 4.088 ( 5.358 0.000 -1.733) 5.631 4.240 ( 0.670 0.000 -0.036) 0.671 4.324 ( 1.416 0.000 5.543) 5.721 4.381 ( -1.348 0.000 10.696) 10.781 4.467 ( -4.338 0.000 5.123) 6.713 4.776 ( -7.187 0.000 1.438) 7.329 4.917 ( 5.344 0.000 -3.814) 6.566 5.242 ( 0.765 0.000 -3.393) 3.478 5.250 ( -3.799 0.000 -2.841) 4.744 5.528 ( 2.401 0.000 -3.295) 4.077 5.577 ( 4.506 0.000 1.331) 4.699 6.097 ( 0.438 0.000 2.029) 2.076 6.186 ( 4.313 0.000 2.720) 5.099 6.431 ( 1.016 0.000 -3.331) 3.482 6.578 ( 0.419 0.000 -1.976) 2.020 6.606 ( -5.742 0.000 -0.453) 5.760 7.098 ( 0.565 0.000 -0.066) 0.569 7.298 ( 5.130 0.000 0.533) 5.158 7.332 ( 9.363 0.000 4.539) 10.406 8.184 ( 1.146 0.000 1.932) 2.247 8.241 ( -1.646 0.000 -1.819) 2.454 8.395 ( -4.144 0.000 -3.586) 5.480 9.054 ( 6.833 0.000 -8.292) 10.745 9.916 ( -5.521 0.000 0.748) 5.572 9.927 ( -5.377 0.000 0.813) 5.438 10.054 ( -2.553 0.000 -1.803) 3.125 10.095 ( -1.506 0.000 1.997) 2.501 10.523 ( -2.568 0.000 2.650) 3.690 10.598 ( -1.423 0.000 -1.546) 2.101 10.759 ( -2.667 0.000 0.171) 2.672 10.815 ( -5.344 0.000 1.161) 5.469 11.533 ( -0.299 0.000 0.184) 0.351 11.575 ( 0.504 0.000 -0.739) 0.895 11.651 ( 1.116 0.000 0.899) 1.433 11.867 ( 3.657 0.000 0.756) 3.734 14.813 ( 0.827 0.000 1.100) 1.377 14.824 ( 1.669 0.000 -0.999) 1.945 14.879 ( 1.553 0.000 0.373) 1.597 14.995 ( 0.770 0.000 2.658) 2.767 15.130 ( -1.877 0.000 -0.782) 2.034 15.234 ( -1.812 0.000 -1.663) 2.460 15.447 ( 0.650 0.000 1.063) 1.246 15.469 ( -0.698 0.000 0.634) 0.944 17.384 ( -2.560 0.000 0.800) 2.682 17.458 ( -0.645 0.000 -0.822) 1.045 17.500 ( 0.045 0.000 -0.715) 0.717 17.537 ( 0.466 0.000 6.801) 6.817 18.484 ( -0.956 0.000 1.932) 2.155 18.747 ( 1.897 0.000 1.791) 2.608 18.786 ( -2.317 0.000 -6.128) 6.552 19.045 ( 4.020 0.000 -0.173) 4.023 27.832 ( 0.902 0.000 -2.409) 2.573 27.853 ( -0.371 0.000 -1.292) 1.344 27.885 ( 0.316 0.000 2.288) 2.310 27.900 ( 0.353 0.000 -2.379) 2.405 29.126 ( -1.889 0.000 -0.297) 1.912 29.341 ( 2.081 0.000 0.301) 2.103 29.393 ( -5.342 0.000 -9.170) 10.612 30.057 ( 6.572 0.000 5.144) 8.346 30.470 ( -4.946 0.000 -1.897) 5.297 30.628 ( -4.947 0.000 0.302) 4.956 30.829 ( -4.276 0.000 1.287) 4.465 31.179 ( 0.507 0.000 -0.820) 0.964 31.858 ( -14.968 0.000 -7.439) 16.715 32.340 ( -2.160 0.000 -1.277) 2.509 32.869 ( 5.998 0.000 8.630) 10.509 33.202 ( 7.848 0.000 2.736) 8.311 ======================= Grid point 135 (68/129) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -19.278 0.000 15.142) 24.514 0.864 ( -17.359 0.000 17.072) 24.348 1.666 ( -37.664 0.000 23.165) 44.218 2.224 ( 1.216 0.000 -8.498) 8.585 2.231 ( -6.307 0.000 -3.044) 7.003 2.342 ( -3.970 0.000 4.118) 5.720 2.364 ( -0.906 0.000 3.438) 3.556 2.491 ( -4.679 0.000 3.542) 5.869 2.643 ( -5.837 0.000 5.493) 8.015 2.879 ( -0.198 0.000 -8.308) 8.311 3.331 ( 4.802 0.000 -5.969) 7.661 3.405 ( 16.449 0.000 10.084) 19.294 3.639 ( -7.565 0.000 -0.963) 7.626 3.680 ( 1.338 0.000 -7.804) 7.918 3.697 ( -3.977 0.000 -0.284) 3.987 3.858 ( 4.437 0.000 -2.779) 5.235 3.886 ( 2.240 0.000 6.781) 7.142 4.179 ( 7.135 0.000 -0.921) 7.194 4.200 ( 0.903 0.000 -4.121) 4.219 4.390 ( -0.139 0.000 5.784) 5.786 4.527 ( -4.938 0.000 10.372) 11.488 4.551 ( 5.661 0.000 8.680) 10.362 4.717 ( -2.706 0.000 7.923) 8.372 4.995 ( 6.369 0.000 0.558) 6.393 5.162 ( -5.184 0.000 0.150) 5.186 5.248 ( 5.157 0.000 -4.517) 6.856 5.529 ( 2.083 0.000 -3.338) 3.935 5.678 ( 3.316 0.000 5.001) 6.000 6.125 ( 2.168 0.000 -0.992) 2.384 6.222 ( 1.287 0.000 -4.233) 4.424 6.391 ( -0.254 0.000 -4.693) 4.700 6.515 ( -3.956 0.000 -3.259) 5.126 6.572 ( -0.748 0.000 2.166) 2.292 7.087 ( -0.158 0.000 -2.555) 2.560 7.317 ( 2.801 0.000 -9.548) 9.950 7.550 ( 11.391 0.000 3.060) 11.795 8.147 ( -5.145 0.000 -5.466) 7.506 8.182 ( -2.068 0.000 -2.342) 3.124 8.339 ( -0.899 0.000 2.419) 2.581 8.811 ( -13.966 0.000 -27.819) 31.128 9.841 ( -4.834 0.000 1.478) 5.054 9.847 ( -5.755 0.000 0.870) 5.820 10.104 ( -0.778 0.000 3.057) 3.154 10.107 ( 5.497 0.000 7.770) 9.518 10.544 ( 1.850 0.000 3.572) 4.023 10.558 ( -1.166 0.000 -1.705) 2.066 10.724 ( -2.035 0.000 0.193) 2.044 10.735 ( -5.932 0.000 1.505) 6.120 11.529 ( -0.239 0.000 0.047) 0.244 11.577 ( 0.694 0.000 -0.713) 0.995 11.701 ( 3.046 0.000 2.622) 4.019 11.919 ( 2.491 0.000 -0.561) 2.553 14.827 ( 0.688 0.000 -3.548) 3.614 14.842 ( 1.728 0.000 0.250) 1.746 14.913 ( 1.483 0.000 0.812) 1.691 14.938 ( -3.550 0.000 -4.352) 5.616 15.161 ( 0.951 0.000 4.145) 4.252 15.194 ( -1.501 0.000 -0.517) 1.588 15.460 ( -0.123 0.000 0.420) 0.438 15.464 ( -1.024 0.000 0.999) 1.431 17.355 ( -1.859 0.000 0.602) 1.954 17.436 ( -0.154 0.000 -1.515) 1.523 17.499 ( 0.902 0.000 -0.822) 1.220 17.680 ( 4.600 0.000 7.784) 9.041 18.497 ( -0.790 0.000 2.425) 2.550 18.701 ( -1.424 0.000 0.754) 1.612 18.782 ( 0.543 0.000 0.814) 0.978 19.106 ( 3.580 0.000 0.093) 3.581 27.825 ( 1.618 0.000 -1.314) 2.084 27.830 ( -0.279 0.000 -1.761) 1.783 27.891 ( 0.739 0.000 -0.421) 0.850 27.914 ( -0.029 0.000 2.346) 2.346 29.097 ( -1.698 0.000 0.492) 1.768 29.232 ( -4.662 0.000 -1.077) 4.785 29.364 ( 1.098 0.000 -1.063) 1.528 30.221 ( 6.734 0.000 5.133) 8.467 30.381 ( -4.651 0.000 -0.028) 4.651 30.531 ( -5.774 0.000 -1.260) 5.910 30.779 ( -3.490 0.000 0.844) 3.590 31.088 ( -11.957 0.000 -1.550) 12.057 31.620 ( -2.340 0.000 -6.912) 7.298 32.350 ( 1.365 0.000 3.897) 4.129 33.047 ( 5.756 0.000 0.447) 5.773 33.259 ( 2.286 0.000 -8.074) 8.392 ======================= Grid point 136 (69/129) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -9.856 0.000 26.947) 28.693 0.911 ( -8.092 0.000 26.428) 27.639 1.547 ( -17.556 0.000 37.585) 41.483 2.105 ( -5.066 0.000 7.781) 9.285 2.122 ( -0.413 0.000 -8.930) 8.939 2.319 ( -3.042 0.000 -5.642) 6.410 2.341 ( -4.010 0.000 6.083) 7.286 2.512 ( -0.646 0.000 3.534) 3.592 2.581 ( -5.067 0.000 3.280) 6.036 2.891 ( 4.008 0.000 1.196) 4.183 3.264 ( -0.389 0.000 -10.858) 10.865 3.552 ( -2.025 0.000 -2.065) 2.892 3.581 ( 0.202 0.000 -9.460) 9.462 3.582 ( -10.797 0.000 0.915) 10.836 3.683 ( 3.763 0.000 2.936) 4.773 3.845 ( 6.705 0.000 -11.016) 12.896 4.012 ( 1.174 0.000 8.473) 8.554 4.292 ( 12.765 0.000 3.208) 13.162 4.303 ( 5.427 0.000 2.525) 5.986 4.481 ( 8.360 0.000 1.786) 8.549 4.499 ( -11.094 0.000 14.174) 18.000 4.707 ( 3.660 0.000 6.057) 7.077 4.866 ( 2.802 0.000 10.079) 10.461 5.078 ( -7.544 0.000 2.560) 7.966 5.079 ( 0.296 0.000 1.134) 1.172 5.273 ( 3.477 0.000 -4.530) 5.711 5.530 ( 3.797 0.000 -3.367) 5.075 5.758 ( -1.479 0.000 3.319) 3.634 6.134 ( 2.289 0.000 -4.861) 5.372 6.177 ( 1.465 0.000 -4.241) 4.487 6.319 ( -1.385 0.000 -5.477) 5.649 6.408 ( -3.551 0.000 -2.932) 4.605 6.571 ( -3.203 0.000 0.675) 3.274 7.032 ( -0.808 0.000 -5.832) 5.887 7.189 ( 0.126 0.000 -15.724) 15.724 7.548 ( -12.455 0.000 -17.611) 21.570 8.021 ( 2.393 0.000 -1.121) 2.643 8.093 ( -3.842 0.000 -3.089) 4.930 8.282 ( -14.170 0.000 -4.170) 14.771 8.381 ( 0.406 0.000 3.032) 3.060 9.784 ( -3.410 0.000 1.601) 3.767 9.806 ( -2.137 0.000 2.136) 3.022 10.146 ( 0.374 0.000 5.285) 5.298 10.268 ( 3.949 0.000 3.084) 5.010 10.527 ( -0.229 0.000 -1.688) 1.703 10.624 ( -0.813 0.000 0.803) 1.143 10.698 ( -1.249 0.000 -0.155) 1.258 10.715 ( 4.253 0.000 0.940) 4.355 11.528 ( -0.048 0.000 0.180) 0.186 11.579 ( 0.575 0.000 -0.733) 0.932 11.805 ( 5.622 0.000 1.423) 5.800 11.930 ( 0.577 0.000 -1.815) 1.904 14.743 ( -2.877 0.000 -2.152) 3.593 14.866 ( 1.358 0.000 -0.712) 1.533 14.902 ( 0.612 0.000 0.068) 0.616 14.935 ( 0.112 0.000 0.561) 0.572 15.178 ( -0.451 0.000 0.640) 0.783 15.198 ( -0.088 0.000 1.119) 1.123 15.454 ( -0.709 0.000 -0.026) 0.710 15.458 ( -1.193 0.000 0.972) 1.539 17.341 ( -0.701 0.000 0.692) 0.985 17.421 ( 0.301 0.000 -1.312) 1.346 17.510 ( 1.455 0.000 -0.584) 1.568 17.701 ( -6.203 0.000 -3.514) 7.129 18.507 ( -1.255 0.000 2.265) 2.590 18.761 ( 0.294 0.000 -1.334) 1.366 18.876 ( 10.417 0.000 8.572) 13.491 19.154 ( 2.053 0.000 0.040) 2.053 27.808 ( 0.029 0.000 -1.599) 1.599 27.855 ( 1.878 0.000 -1.145) 2.199 27.934 ( -0.540 0.000 1.997) 2.068 27.934 ( 3.861 0.000 2.090) 4.391 29.086 ( -1.007 0.000 1.315) 1.657 29.348 ( -0.141 0.000 -2.919) 2.922 29.380 ( 18.889 0.000 13.383) 23.149 30.325 ( -4.495 0.000 3.226) 5.532 30.333 ( -2.029 0.000 1.452) 2.495 30.489 ( 6.582 0.000 -1.125) 6.677 30.735 ( -2.753 0.000 -0.070) 2.754 30.813 ( -15.916 0.000 -3.215) 16.237 31.611 ( 6.843 0.000 -3.416) 7.648 32.455 ( 2.219 0.000 8.592) 8.874 32.697 ( -32.835 0.000 -20.415) 38.664 33.282 ( 7.800 0.000 -6.099) 9.901 ======================= Grid point 137 (70/129) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -2.115 9.448 21.964) 24.003 1.302 ( -1.127 10.794 26.544) 28.677 1.886 ( -1.219 -1.335 11.750) 11.888 1.964 ( 1.245 -0.093 7.936) 8.033 2.081 ( 5.902 -10.651 -1.217) 12.238 2.327 ( -3.554 -0.065 0.087) 3.556 2.418 ( 2.711 8.772 15.025) 17.608 2.537 ( -5.011 5.996 4.626) 9.081 2.675 ( 0.662 12.807 -5.668) 14.021 2.917 ( -1.583 -1.674 -2.755) 3.592 3.232 ( 3.434 5.042 -3.167) 6.874 3.364 ( -4.225 -4.187 3.439) 6.870 3.458 ( 0.091 -5.536 -2.621) 6.126 3.573 ( -2.977 8.102 -7.012) 11.121 3.729 ( 2.452 0.401 -1.185) 2.753 3.813 ( 0.735 -0.322 -6.292) 6.343 4.058 ( -3.592 -2.005 6.070) 7.333 4.293 ( -4.123 -5.840 1.924) 7.403 4.347 ( -7.508 -10.249 14.372) 19.182 4.524 ( 5.027 -8.016 4.021) 10.281 4.664 ( -2.866 3.802 3.356) 5.825 4.833 ( 7.976 2.763 3.819) 9.265 4.947 ( 3.503 -2.192 2.851) 5.021 4.951 ( -9.011 3.295 3.529) 10.223 5.170 ( 3.799 5.781 3.555) 7.778 5.282 ( 6.158 -1.273 -3.712) 7.303 5.607 ( 2.660 -0.718 -1.881) 3.336 5.661 ( -9.498 -1.482 0.343) 9.619 6.074 ( -2.557 -0.426 -6.393) 6.898 6.111 ( 3.205 -2.446 -4.629) 6.139 6.286 ( 1.549 0.959 -1.961) 2.677 6.459 ( -4.221 -2.343 -2.948) 5.657 6.571 ( 2.656 11.892 -5.800) 13.495 6.911 ( -0.221 -1.697 -8.018) 8.199 7.019 ( -0.649 1.901 -13.622) 13.769 7.198 ( -8.196 1.496 -8.853) 12.157 8.026 ( -0.460 0.685 -1.688) 1.879 8.071 ( 3.098 0.587 -1.840) 3.651 8.291 ( 5.566 1.756 -1.106) 5.941 8.386 ( -1.003 -0.598 -0.994) 1.534 9.790 ( -0.177 1.486 2.631) 3.026 9.830 ( 0.455 1.743 1.778) 2.531 10.194 ( 0.610 -2.860 6.016) 6.689 10.309 ( 0.449 -2.584 2.126) 3.376 10.504 ( -0.909 -1.515 -0.619) 1.872 10.589 ( 1.825 -6.189 0.747) 6.496 10.598 ( -1.663 -0.528 1.495) 2.298 10.684 ( -1.721 -2.131 -0.416) 2.771 11.585 ( 0.404 2.380 -0.818) 2.549 11.620 ( -0.502 4.962 -2.193) 5.448 11.820 ( 0.439 -2.441 -1.646) 2.976 11.900 ( -1.485 -0.793 -3.631) 4.003 14.751 ( 1.156 0.521 1.279) 1.801 14.836 ( -0.139 -1.850 -1.213) 2.217 14.919 ( -2.248 0.783 0.797) 2.511 14.950 ( -1.004 1.005 0.315) 1.455 15.176 ( 0.826 0.558 1.965) 2.204 15.261 ( 1.634 2.925 -1.504) 3.672 15.421 ( -1.405 -1.915 0.525) 2.432 15.444 ( 0.800 -0.576 -0.141) 0.996 17.343 ( 0.339 -0.336 0.834) 0.960 17.395 ( 0.592 -1.707 -0.752) 1.957 17.521 ( -6.186 -0.559 0.779) 6.260 17.528 ( -0.136 -0.299 0.117) 0.349 18.566 ( -1.575 4.447 1.960) 5.109 18.731 ( -1.102 0.510 -2.173) 2.490 19.034 ( 5.039 -2.872 2.941) 6.503 19.144 ( -0.275 -2.297 -0.813) 2.452 27.801 ( 0.215 0.391 -0.822) 0.935 27.848 ( 0.326 -0.352 -1.291) 1.378 27.938 ( -0.442 -0.076 1.195) 1.277 27.989 ( 1.333 -0.698 -0.001) 1.505 29.140 ( 1.366 4.011 3.037) 5.213 29.329 ( 0.603 1.653 -1.180) 2.119 30.010 ( 27.830 1.131 0.208) 27.853 30.165 ( -8.850 -2.163 -3.001) 9.592 30.394 ( 1.811 3.019 2.803) 4.501 30.549 ( -4.200 -0.379 -1.977) 4.657 30.637 ( 7.727 -2.078 -0.324) 8.008 30.686 ( -6.826 -0.920 -1.488) 7.047 31.506 ( -11.818 -15.724 10.510) 22.301 31.730 ( -0.944 -9.532 2.038) 9.793 32.967 ( -4.963 21.323 -5.188) 22.500 33.299 ( 0.563 2.896 -9.377) 9.831 ======================= Grid point 138 (71/129) ======================= q-point: ( 0.08 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 3.906 5.891 17.664) 19.025 1.616 ( 2.424 10.750 25.232) 27.534 1.991 ( 0.088 -4.419 8.927) 9.961 2.120 ( 14.595 -2.283 -7.057) 16.371 2.169 ( 1.035 -7.248 11.348) 13.505 2.299 ( 2.534 -0.432 -3.715) 4.518 2.479 ( -2.950 7.602 -1.559) 8.302 2.581 ( -1.264 13.299 -1.778) 13.477 2.627 ( 5.101 8.183 -5.619) 11.160 2.868 ( 1.954 -3.126 -0.565) 3.729 3.276 ( 0.718 3.280 2.059) 3.938 3.397 ( -0.466 2.701 4.479) 5.251 3.462 ( -0.315 -0.899 4.280) 4.385 3.534 ( 3.829 0.514 3.373) 5.129 3.628 ( -7.412 2.299 -6.004) 9.812 3.845 ( 10.066 -0.562 -5.989) 11.726 4.071 ( -5.592 -3.905 7.605) 10.215 4.196 ( -10.736 -6.345 2.757) 12.772 4.388 ( -6.383 -7.931 11.537) 15.387 4.532 ( -8.872 0.074 3.164) 9.420 4.608 ( -15.883 3.199 3.032) 16.483 4.678 ( -5.907 -4.630 1.104) 7.586 4.948 ( 2.089 -3.747 0.760) 4.357 5.178 ( 9.288 2.533 3.329) 10.187 5.252 ( 4.072 3.902 0.986) 5.725 5.310 ( 1.962 1.864 -3.981) 4.814 5.509 ( -5.997 -0.325 -2.241) 6.410 5.708 ( 7.258 -5.161 3.500) 9.569 5.967 ( -3.026 2.043 -2.607) 4.486 6.071 ( 0.298 2.798 -5.445) 6.129 6.275 ( -2.300 -3.309 -5.066) 6.473 6.426 ( 6.224 -4.736 -0.192) 7.824 6.616 ( 4.642 6.485 -0.150) 7.977 6.788 ( -0.681 5.079 -11.393) 12.492 6.937 ( 1.494 -1.458 -1.717) 2.703 7.011 ( -4.398 1.126 -8.345) 9.500 8.034 ( 2.908 1.485 -1.600) 3.636 8.106 ( 4.187 0.773 -1.595) 4.547 8.353 ( 0.115 -0.357 -1.894) 1.931 8.384 ( 7.060 -1.012 -3.277) 7.849 9.831 ( 1.981 1.892 1.824) 3.291 9.861 ( 1.691 2.534 0.651) 3.116 10.256 ( -1.780 -3.436 5.620) 6.824 10.302 ( -2.420 -3.327 -0.169) 4.118 10.491 ( -0.791 -1.993 0.697) 2.255 10.591 ( -0.369 -1.053 -1.187) 1.630 10.621 ( 2.378 -0.907 0.881) 2.693 10.681 ( 1.779 -1.677 0.105) 2.447 11.579 ( -0.598 3.771 -0.597) 3.864 11.590 ( -0.436 2.339 -1.074) 2.610 11.803 ( -1.450 -2.593 0.521) 3.016 11.827 ( -3.027 -1.861 -2.396) 4.286 14.775 ( -0.121 0.057 1.161) 1.169 14.805 ( -1.661 -0.501 -1.735) 2.454 14.884 ( -2.953 -0.139 0.929) 3.099 14.937 ( -1.483 0.323 1.102) 1.876 15.204 ( 0.744 0.270 0.815) 1.136 15.275 ( 1.699 2.427 -1.090) 3.157 15.412 ( -0.312 -1.867 0.360) 1.927 15.465 ( 1.353 -0.131 0.275) 1.387 17.361 ( 0.720 -0.409 0.664) 1.062 17.398 ( 1.138 -1.230 -1.074) 1.990 17.452 ( -3.673 1.011 2.059) 4.330 17.544 ( 0.429 -1.261 1.408) 1.938 18.578 ( -0.640 3.567 3.450) 5.004 18.690 ( -0.864 1.510 -2.145) 2.762 19.099 ( 0.728 -3.059 1.336) 3.416 19.106 ( -2.336 -1.973 -1.931) 3.616 27.801 ( 0.297 0.348 -0.006) 0.458 27.834 ( -0.059 0.216 -1.457) 1.474 27.937 ( -1.017 0.081 0.781) 1.285 27.998 ( 0.429 -0.968 -0.436) 1.145 29.204 ( 1.817 5.538 3.035) 6.571 29.303 ( 0.360 4.077 -3.198) 5.195 29.926 ( -12.412 0.144 -6.406) 13.968 30.348 ( 14.187 -6.056 -2.059) 15.562 30.411 ( -6.429 -2.547 1.905) 7.173 30.550 ( -0.181 -2.184 0.320) 2.215 30.649 ( 12.194 1.504 -1.072) 12.333 30.761 ( 8.169 -1.557 -1.879) 8.526 31.429 ( -5.374 -3.186 5.241) 8.154 31.902 ( 13.712 -10.279 5.056) 17.867 32.878 ( -6.022 13.803 3.388) 15.436 33.146 ( -5.978 3.435 -9.159) 11.464 ======================= Grid point 139 (72/129) ======================= q-point: ( 0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 7.415 4.619 12.438) 15.199 1.893 ( 1.443 13.460 17.023) 21.750 2.106 ( 2.061 -7.542 4.444) 8.993 2.210 ( 7.250 -2.001 -11.434) 13.686 2.230 ( 4.713 -1.679 -7.945) 9.389 2.344 ( 2.112 1.015 4.769) 5.314 2.465 ( 8.282 1.255 -3.326) 9.012 2.597 ( -1.841 2.651 5.353) 6.251 2.655 ( 9.301 7.608 -2.873) 12.354 2.901 ( 2.015 7.887 -0.857) 8.186 3.269 ( -5.167 -1.135 0.713) 5.338 3.314 ( -9.375 1.762 -7.809) 12.328 3.463 ( -0.168 6.067 -1.784) 6.326 3.534 ( 2.585 -2.156 5.340) 6.312 3.768 ( 6.397 -0.092 11.724) 13.356 3.914 ( -6.426 -8.744 -6.407) 12.602 3.962 ( -1.453 2.359 3.666) 4.596 4.127 ( -2.634 2.669 1.438) 4.015 4.243 ( -15.331 5.618 -1.172) 16.370 4.402 ( -3.729 -5.970 2.061) 7.334 4.525 ( -3.104 -3.376 11.580) 12.455 4.741 ( -0.448 -10.900 7.274) 13.112 4.954 ( -1.292 -6.106 -1.290) 6.373 5.111 ( -8.760 -3.243 -3.782) 10.077 5.275 ( 0.501 1.837 -0.985) 2.144 5.427 ( -1.183 0.033 -5.091) 5.227 5.442 ( 8.600 5.432 4.220) 11.012 5.841 ( 2.566 3.699 -0.991) 4.610 5.938 ( 1.342 -1.864 3.973) 4.590 6.070 ( 2.846 3.618 2.705) 5.339 6.149 ( -2.162 -1.621 -7.534) 8.004 6.571 ( 4.618 -5.305 1.922) 7.291 6.598 ( 1.480 5.301 -8.821) 10.397 6.733 ( 2.552 2.801 -0.804) 3.874 6.870 ( -3.102 0.485 -3.875) 4.987 7.002 ( 2.056 -0.876 6.525) 6.897 8.062 ( 3.393 0.901 -2.939) 4.579 8.162 ( 4.855 -0.183 -2.003) 5.255 8.358 ( 2.422 0.912 0.158) 2.593 8.430 ( 2.471 -1.174 -2.681) 3.831 9.890 ( 3.572 1.524 0.215) 3.889 9.906 ( 3.526 1.719 0.661) 3.978 10.235 ( -4.944 -3.118 0.603) 5.877 10.256 ( -3.565 -3.138 1.122) 4.880 10.501 ( 1.017 -0.416 1.019) 1.499 10.587 ( 2.117 1.122 -1.769) 2.978 10.679 ( 3.289 -0.648 0.790) 3.444 10.727 ( 3.070 -1.502 0.781) 3.506 11.552 ( -1.236 2.172 -0.675) 2.588 11.585 ( -0.014 2.872 0.084) 2.873 11.749 ( -3.396 -2.407 -1.673) 4.486 11.795 ( -1.963 -1.817 2.193) 3.459 14.753 ( -1.828 -0.208 -1.390) 2.306 14.786 ( -0.242 0.567 1.413) 1.541 14.849 ( -2.710 -0.305 0.981) 2.898 14.929 ( -1.259 0.573 1.420) 1.982 15.221 ( 0.904 -0.472 -0.162) 1.033 15.285 ( 1.305 0.654 -1.415) 2.033 15.416 ( 0.024 -1.541 0.521) 1.627 15.485 ( 0.581 0.166 0.338) 0.693 17.379 ( 0.897 -0.418 0.267) 1.025 17.412 ( 2.148 -0.579 -0.915) 2.406 17.440 ( -0.874 0.999 1.653) 2.120 17.573 ( 0.051 -1.959 2.873) 3.478 18.620 ( 0.187 2.581 4.148) 4.889 18.661 ( -0.206 2.590 -1.242) 2.880 19.026 ( -3.793 -1.720 -3.391) 5.370 19.101 ( -1.682 -2.964 0.336) 3.425 27.805 ( -0.020 0.171 0.135) 0.219 27.819 ( 0.135 0.259 -1.148) 1.185 27.921 ( -1.703 0.484 0.033) 1.771 27.996 ( 0.023 -1.064 -0.587) 1.216 29.232 ( 0.378 3.507 -1.572) 3.862 29.307 ( 2.081 5.923 0.751) 6.323 29.666 ( -9.571 2.681 -7.227) 12.289 30.263 ( -12.729 -5.529 2.402) 14.085 30.479 ( 5.997 -2.146 -1.421) 6.526 30.625 ( 10.168 -2.714 -2.935) 10.926 30.840 ( 6.912 -0.272 4.263) 8.125 30.858 ( 7.048 -0.551 -2.582) 7.527 31.485 ( 10.470 3.154 -2.676) 11.258 32.200 ( 13.490 -14.289 5.920) 20.523 32.828 ( -7.232 7.048 6.097) 11.796 32.939 ( -8.074 5.608 -5.231) 11.136 ======================= Grid point 140 (73/129) ======================= q-point: ( 0.25 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 4.657 5.955 1.827) 7.777 1.985 ( 0.071 5.497 -14.521) 15.526 2.064 ( -2.023 8.111 7.507) 11.235 2.159 ( 3.915 2.991 -6.801) 8.398 2.324 ( 0.807 -5.242 -1.140) 5.425 2.402 ( 0.999 -4.045 7.334) 8.435 2.580 ( 7.176 0.387 -1.308) 7.305 2.676 ( -0.293 0.065 4.346) 4.357 2.756 ( 8.273 0.409 -2.616) 8.687 2.898 ( -5.756 4.258 3.759) 8.087 3.106 ( -3.442 9.878 -1.427) 10.557 3.199 ( 0.806 -3.941 -4.567) 6.086 3.439 ( 0.685 4.734 -2.259) 5.290 3.568 ( -14.834 1.106 -2.694) 15.118 3.751 ( 1.358 -0.414 7.991) 8.116 3.878 ( -5.176 -0.259 3.995) 6.544 3.992 ( -0.924 3.273 3.837) 5.128 4.082 ( 8.392 0.765 -5.762) 10.209 4.239 ( -0.641 -0.270 9.319) 9.345 4.396 ( 1.480 -8.933 -1.748) 9.221 4.618 ( 2.509 -3.256 4.493) 6.090 4.766 ( -1.307 -8.197 0.257) 8.304 4.858 ( -5.805 -7.764 -5.584) 11.187 4.977 ( -3.684 -1.627 -0.151) 4.030 5.278 ( 1.367 0.047 -4.321) 4.532 5.343 ( -0.076 -3.090 -4.800) 5.709 5.609 ( 4.098 6.526 6.428) 10.035 5.799 ( -1.928 7.479 -3.124) 8.332 5.989 ( 2.405 -2.869 -5.797) 6.901 6.093 ( -0.059 -3.187 2.299) 3.930 6.240 ( 6.344 5.351 11.936) 14.537 6.468 ( -0.173 6.820 -6.806) 9.636 6.656 ( 2.004 -0.770 -3.085) 3.758 6.730 ( -2.968 -3.403 2.418) 5.122 6.892 ( 3.749 -1.077 4.627) 6.051 7.105 ( -1.930 -1.115 9.636) 9.890 8.076 ( 2.653 0.416 -2.689) 3.800 8.194 ( 2.200 -0.739 -3.359) 4.083 8.408 ( -1.548 0.802 -0.154) 1.751 8.439 ( 3.116 0.551 4.482) 5.486 9.950 ( 4.009 0.656 0.107) 4.064 9.987 ( 5.574 0.242 0.014) 5.579 10.145 ( -5.957 -1.280 -0.443) 6.109 10.216 ( -0.966 -1.766 -0.772) 2.156 10.541 ( 2.318 0.772 0.958) 2.624 10.613 ( 3.266 1.382 -1.592) 3.887 10.735 ( 2.716 -0.546 0.388) 2.797 10.791 ( 3.023 -1.496 1.605) 3.735 11.529 ( -1.001 1.083 -0.175) 1.485 11.587 ( -0.049 3.318 0.234) 3.326 11.684 ( -2.790 -2.241 -0.904) 3.691 11.786 ( -2.491 -1.342 2.278) 3.632 14.720 ( -1.096 -0.787 -0.283) 1.379 14.807 ( 0.829 -0.214 1.401) 1.642 14.825 ( -1.852 0.617 1.316) 2.354 14.930 ( -0.602 1.406 1.560) 2.185 15.230 ( 1.015 -0.684 -0.943) 1.545 15.284 ( 1.015 -1.020 -1.982) 2.449 15.421 ( -0.315 -1.042 0.749) 1.321 15.489 ( -0.531 0.218 0.351) 0.673 17.399 ( 1.438 -0.094 0.008) 1.441 17.442 ( 1.124 1.447 0.695) 1.960 17.454 ( 2.321 -1.030 -0.565) 2.601 17.603 ( -0.883 -2.374 3.252) 4.122 18.648 ( 0.190 3.056 -0.265) 3.074 18.674 ( 0.336 2.295 3.287) 4.023 18.917 ( -3.761 -1.502 -4.542) 6.085 19.056 ( -3.346 -3.077 -0.804) 4.616 27.798 ( -0.816 0.024 -0.425) 0.921 27.815 ( 0.623 -0.183 -0.490) 0.813 27.888 ( -1.700 1.125 -0.574) 2.118 27.984 ( -0.577 -1.116 -0.902) 1.546 29.214 ( 0.698 2.504 -2.476) 3.590 29.346 ( 1.432 3.732 0.248) 4.005 29.486 ( -4.509 6.130 -3.964) 8.580 30.091 ( -11.526 -4.355 1.898) 12.467 30.540 ( 3.927 -1.020 -1.381) 4.286 30.746 ( 8.840 -2.348 -3.880) 9.935 30.912 ( 1.575 -0.571 0.887) 1.896 30.986 ( 6.690 -0.273 1.923) 6.967 31.680 ( 17.055 4.291 -3.047) 17.848 32.374 ( 3.379 -14.025 -1.526) 14.507 32.751 ( -8.322 5.619 4.184) 10.878 32.877 ( -0.169 2.504 6.509) 6.976 ======================= Grid point 141 (74/129) ======================= q-point: ( 0.33 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.993 6.134 -12.980) 14.391 1.849 ( 1.260 7.066 -8.267) 10.948 2.036 ( -2.729 6.960 -0.698) 7.508 2.195 ( -1.898 11.618 3.413) 12.256 2.301 ( -3.134 -7.221 0.310) 7.878 2.398 ( -4.106 -10.008 -4.828) 11.846 2.611 ( -4.450 2.943 7.203) 8.963 2.668 ( -3.119 3.417 4.115) 6.191 2.839 ( 1.825 -1.828 0.464) 2.624 2.948 ( 5.108 -2.882 4.200) 7.213 3.078 ( -1.805 13.207 -2.883) 13.638 3.233 ( 5.655 -0.571 -1.218) 5.813 3.341 ( -1.833 -0.063 -1.730) 2.521 3.443 ( 2.199 1.721 -2.383) 3.671 3.789 ( -5.663 3.320 1.774) 6.800 3.857 ( -4.902 2.109 5.791) 7.875 4.082 ( 5.676 -2.982 3.354) 7.236 4.157 ( 5.889 -2.469 -3.335) 7.204 4.298 ( -6.395 -4.424 10.192) 12.820 4.377 ( 1.194 -4.716 -5.393) 7.262 4.675 ( -2.406 -3.733 -0.653) 4.490 4.731 ( -1.028 -3.687 -4.664) 6.034 4.758 ( 8.150 -3.042 -6.751) 11.011 4.936 ( -2.737 -0.470 0.147) 2.780 5.214 ( 3.484 -6.944 -7.621) 10.883 5.359 ( 4.112 -3.722 -1.450) 5.732 5.691 ( 1.815 8.032 0.130) 8.236 5.720 ( -1.599 7.534 -6.003) 9.764 5.973 ( 0.820 -1.699 -1.292) 2.287 6.075 ( -1.901 -3.077 -1.490) 3.912 6.403 ( 2.708 2.705 -1.988) 4.312 6.540 ( 4.648 3.920 9.742) 11.484 6.650 ( 1.799 0.369 1.699) 2.502 6.729 ( -3.618 -1.343 7.999) 8.881 6.991 ( 0.568 -2.930 4.851) 5.696 7.148 ( -3.012 0.230 6.323) 7.007 8.089 ( 0.801 -0.239 -0.279) 0.881 8.154 ( -1.926 -0.787 -2.849) 3.527 8.384 ( -1.974 3.328 1.908) 4.315 8.552 ( 1.169 -0.863 7.740) 7.875 10.016 ( 3.591 -0.148 0.323) 3.608 10.032 ( -1.927 -0.830 -0.262) 2.115 10.099 ( 3.691 1.426 -0.789) 4.035 10.207 ( 1.005 -1.015 -1.336) 1.956 10.588 ( 2.059 1.267 0.748) 2.531 10.648 ( 3.140 1.449 -1.432) 3.743 10.775 ( 1.829 -0.570 0.401) 1.958 10.851 ( 1.848 -1.574 1.902) 3.084 11.518 ( -0.534 0.518 0.395) 0.843 11.588 ( -0.010 3.082 0.016) 3.082 11.643 ( -1.403 -1.949 -0.208) 2.411 11.764 ( -2.932 -0.974 1.514) 3.441 14.711 ( -0.374 -1.078 0.712) 1.345 14.817 ( -0.922 0.271 1.101) 1.462 14.833 ( 0.175 -0.178 1.141) 1.167 14.947 ( 0.249 1.431 1.715) 2.248 15.234 ( 1.201 -0.670 -1.298) 1.891 15.274 ( 0.848 -1.376 -2.400) 2.894 15.422 ( -0.675 -0.542 0.863) 1.222 15.480 ( -1.101 0.188 0.469) 1.211 17.422 ( 1.548 0.251 -0.161) 1.577 17.461 ( 0.333 1.126 1.041) 1.570 17.499 ( 3.895 -1.270 -1.224) 4.276 17.609 ( -2.153 -2.066 1.799) 3.484 18.644 ( 0.050 3.854 -1.034) 3.990 18.703 ( -0.578 1.589 1.608) 2.334 18.827 ( -1.432 -1.659 -3.216) 3.892 18.988 ( -3.359 -3.113 -1.208) 4.736 27.774 ( -0.970 0.467 -0.537) 1.203 27.826 ( 0.604 -0.880 0.228) 1.091 27.867 ( -0.040 1.281 -0.336) 1.325 27.957 ( -1.149 -1.056 -1.249) 1.999 29.206 ( 1.171 2.471 -1.541) 3.138 29.360 ( 1.743 0.012 -0.866) 1.946 29.426 ( -1.616 8.884 -0.164) 9.031 29.946 ( -8.882 -3.189 1.530) 9.560 30.578 ( 2.649 -0.683 -0.883) 2.875 30.811 ( 4.613 -0.538 -3.632) 5.896 30.940 ( 0.552 -1.979 1.429) 2.503 31.083 ( 4.864 0.213 -1.694) 5.155 31.939 ( 16.385 2.856 1.022) 16.663 32.340 ( -0.796 -6.670 -3.198) 7.440 32.689 ( -6.688 4.201 5.026) 9.362 32.978 ( 0.898 -3.625 6.239) 7.271 ======================= Grid point 142 (75/129) ======================= q-point: ( 0.42 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.800 3.991 -5.396) 7.272 1.855 ( 4.362 6.613 0.064) 7.923 1.995 ( 0.127 8.500 -0.376) 8.510 2.099 ( -4.791 0.050 -5.968) 7.653 2.253 ( -3.650 -7.682 -1.588) 8.653 2.318 ( -2.494 3.127 3.902) 5.588 2.616 ( -2.044 5.537 2.298) 6.334 2.660 ( -5.308 9.005 6.283) 12.196 2.828 ( -5.050 2.506 3.934) 6.874 3.027 ( 1.733 -0.461 0.569) 1.881 3.060 ( 6.198 7.814 -5.901) 11.589 3.292 ( 0.421 -1.442 1.360) 2.027 3.417 ( 4.902 -2.801 1.741) 5.908 3.462 ( 6.579 -3.878 -4.740) 8.988 3.708 ( -3.859 1.472 -1.780) 4.497 3.770 ( -9.809 0.200 0.860) 9.849 4.166 ( 0.504 -4.140 -1.595) 4.465 4.183 ( 2.530 -5.444 -2.396) 6.464 4.268 ( -9.146 -6.686 7.308) 13.482 4.358 ( 1.957 -1.103 -1.073) 2.490 4.594 ( -5.519 -1.027 0.201) 5.617 4.639 ( -1.548 4.305 -5.985) 7.534 4.851 ( 6.940 -2.671 -6.663) 9.985 4.892 ( 3.953 -1.058 -4.475) 6.064 5.254 ( 7.082 -6.496 -2.986) 10.063 5.413 ( 3.228 -6.822 -0.315) 7.554 5.590 ( -4.615 6.314 -7.462) 10.810 5.723 ( 6.759 3.647 -6.564) 10.103 5.963 ( -1.059 -2.153 0.449) 2.441 6.062 ( -0.502 -1.163 2.086) 2.440 6.354 ( -2.853 2.875 -3.711) 5.493 6.616 ( -2.905 3.187 -0.413) 4.332 6.713 ( 4.620 -1.980 4.512) 6.754 6.856 ( -0.995 -0.652 14.272) 14.322 7.017 ( -3.721 0.949 5.009) 6.312 7.180 ( 0.381 0.968 2.897) 3.078 8.081 ( -1.420 -0.547 -0.002) 1.522 8.118 ( -0.064 0.089 0.572) 0.583 8.397 ( -0.061 3.326 3.904) 5.129 8.628 ( -2.640 -1.843 7.634) 8.285 10.006 ( -0.860 1.131 1.099) 1.796 10.069 ( 1.818 -0.471 0.831) 2.054 10.150 ( 3.115 0.727 -1.771) 3.656 10.210 ( 1.368 -0.650 -1.614) 2.213 10.619 ( 0.795 1.561 0.692) 1.883 10.676 ( 2.208 1.508 -1.424) 3.030 10.806 ( 1.364 -0.753 0.835) 1.768 10.885 ( -0.104 -1.637 1.441) 2.184 11.521 ( -0.132 0.407 0.899) 0.995 11.585 ( -0.069 2.091 -0.428) 2.136 11.635 ( 0.130 -1.412 0.553) 1.522 11.731 ( -2.613 -0.690 0.651) 2.780 14.722 ( 0.210 -0.975 1.504) 1.805 14.816 ( -0.526 0.308 0.780) 0.990 14.834 ( -0.882 0.027 0.190) 0.902 14.962 ( -0.922 0.105 1.101) 1.440 15.240 ( 1.525 -0.759 -1.429) 2.223 15.264 ( 1.115 -0.549 -1.887) 2.260 15.421 ( -0.616 -0.157 0.934) 1.130 15.467 ( -1.151 0.184 0.518) 1.276 17.442 ( 0.995 0.250 -0.170) 1.040 17.477 ( 0.229 0.481 0.927) 1.069 17.538 ( 2.231 -1.540 -1.327) 3.018 17.581 ( -1.967 -0.898 -0.067) 2.163 18.625 ( -0.022 3.406 -1.957) 3.928 18.691 ( -1.797 0.994 -0.158) 2.060 18.805 ( 1.154 -1.331 -0.652) 1.878 18.935 ( -1.641 -2.909 -0.906) 3.461 27.770 ( 0.391 0.592 0.787) 1.059 27.832 ( -0.218 -0.837 0.510) 1.004 27.880 ( 1.608 0.475 -0.104) 1.680 27.923 ( -1.151 -0.680 -1.307) 1.870 29.218 ( 1.701 2.972 -0.360) 3.444 29.393 ( -1.928 7.625 -1.123) 7.944 29.410 ( 3.565 -0.505 2.365) 4.308 29.841 ( -6.187 -2.711 0.893) 6.814 30.607 ( 1.715 -0.594 -0.092) 1.817 30.815 ( 1.132 0.644 -3.418) 3.658 30.963 ( 0.517 -2.815 0.936) 3.012 31.105 ( 2.577 0.723 -4.089) 4.887 32.211 ( 13.221 0.393 4.728) 14.047 32.333 ( 1.716 -2.644 1.174) 3.363 32.636 ( -5.880 3.880 2.979) 7.649 32.999 ( -3.901 -4.970 1.210) 6.433 ======================= Grid point 143 (76/129) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 6.490 0.292 1.156) 6.599 1.893 ( -1.109 1.477 -0.657) 1.960 1.998 ( -0.851 -0.423 -3.517) 3.643 2.058 ( 0.168 4.855 1.339) 5.039 2.201 ( 6.871 4.110 -1.834) 8.214 2.371 ( -0.623 4.786 5.752) 7.509 2.612 ( -0.774 5.881 3.356) 6.816 2.675 ( 2.013 12.621 1.693) 12.892 2.805 ( -1.944 6.372 2.028) 6.964 3.011 ( -1.889 5.221 -2.332) 6.022 3.088 ( 1.787 1.444 -1.384) 2.682 3.261 ( -4.391 -1.057 -0.666) 4.565 3.465 ( 0.530 -7.357 1.076) 7.455 3.527 ( 2.526 -3.124 -5.307) 6.656 3.616 ( -1.923 -5.198 -1.616) 5.773 3.659 ( -0.402 -2.533 -2.261) 3.419 4.095 ( -5.199 -3.524 -2.650) 6.817 4.151 ( -4.552 -3.508 -2.288) 6.185 4.190 ( -5.519 -4.123 4.225) 8.081 4.391 ( 1.953 -5.133 -1.704) 5.750 4.500 ( -8.596 3.620 3.293) 9.892 4.598 ( 3.181 3.508 -3.960) 6.173 4.841 ( 1.573 0.251 -2.133) 2.662 4.938 ( 5.626 -4.147 -6.901) 9.823 5.321 ( 2.882 -3.471 -2.066) 4.963 5.427 ( -2.023 3.855 -5.595) 7.089 5.447 ( 0.196 -7.630 -1.055) 7.706 5.726 ( 2.132 -4.547 -8.744) 10.083 5.954 ( -2.808 -0.902 2.715) 4.009 6.073 ( -0.249 -1.026 0.925) 1.404 6.327 ( 4.235 7.629 0.226) 8.728 6.519 ( -4.585 3.253 -3.423) 6.582 6.845 ( 2.212 -3.485 7.193) 8.293 6.972 ( -0.766 2.166 7.485) 7.829 7.020 ( -0.755 1.156 5.193) 5.374 7.173 ( -4.773 0.460 0.924) 4.883 8.083 ( 1.555 1.193 0.331) 1.988 8.142 ( 2.464 2.214 -0.093) 3.314 8.489 ( 3.718 0.025 7.586) 8.448 8.638 ( -4.928 -2.086 5.111) 7.400 10.020 ( -0.191 1.256 2.024) 2.390 10.093 ( -0.153 -0.482 1.115) 1.224 10.149 ( -0.270 0.924 -2.186) 2.389 10.211 ( 0.894 -0.559 -1.944) 2.212 10.626 ( -1.043 1.921 0.839) 2.342 10.686 ( 1.180 1.571 -1.461) 2.448 10.837 ( 0.907 -0.979 1.387) 1.925 10.880 ( -1.875 -1.488 0.615) 2.472 11.531 ( 0.044 0.750 1.039) 1.282 11.579 ( 0.184 1.359 -0.602) 1.498 11.657 ( 1.036 -1.352 1.289) 2.137 11.699 ( -1.612 -0.446 -0.066) 1.674 14.748 ( 0.537 -0.637 1.894) 2.069 14.815 ( -0.603 -1.399 -0.386) 1.571 14.821 ( -0.653 1.692 1.229) 2.191 14.936 ( -2.570 -0.679 -0.423) 2.692 15.250 ( 0.989 -0.404 -0.811) 1.341 15.265 ( 1.436 -0.312 -1.488) 2.091 15.426 ( -0.170 -0.049 1.128) 1.142 15.454 ( -0.924 0.348 0.269) 1.023 17.446 ( -0.349 0.175 0.038) 0.392 17.485 ( -0.547 0.182 0.926) 1.090 17.531 ( -0.900 -1.092 -0.628) 1.548 17.562 ( 0.067 -1.041 -1.487) 1.816 18.613 ( 0.986 2.539 -1.001) 2.902 18.643 ( -2.952 1.371 -1.282) 3.498 18.837 ( 2.645 -1.589 0.467) 3.121 18.912 ( 0.107 -2.599 -1.393) 2.951 27.798 ( 1.075 0.108 1.445) 1.804 27.836 ( -0.160 -0.757 0.759) 1.084 27.889 ( -0.513 0.167 -0.896) 1.046 27.911 ( 1.549 -0.322 -0.689) 1.726 29.252 ( 2.220 3.900 0.704) 4.543 29.338 ( -2.430 6.774 -2.088) 7.494 29.524 ( 5.139 -1.756 5.243) 7.548 29.758 ( -4.362 -2.876 -1.158) 5.352 30.631 ( 0.644 -0.589 0.858) 1.224 30.776 ( -0.774 0.846 -3.790) 3.960 30.971 ( -0.322 -1.407 -0.084) 1.446 31.095 ( 2.387 0.171 -3.984) 4.647 32.413 ( 3.134 -0.931 5.225) 6.163 32.445 ( 6.118 -2.209 4.998) 8.203 32.576 ( -2.450 4.201 2.609) 5.519 32.886 ( -8.227 -3.907 -3.361) 9.708 ======================= Grid point 144 (77/129) ======================= q-point: (-0.42 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -11.656 2.198 -5.359) 13.016 1.874 ( 1.067 2.701 5.007) 5.788 1.995 ( -1.190 5.389 1.037) 5.616 2.050 ( 5.790 -4.559 -6.384) 9.751 2.334 ( 2.061 8.308 2.011) 8.793 2.357 ( -0.943 0.185 -1.827) 2.064 2.677 ( -4.122 8.698 5.996) 11.340 2.710 ( 6.576 12.237 -9.340) 16.740 2.837 ( 5.771 8.550 1.544) 10.430 2.997 ( 2.201 5.444 2.963) 6.577 3.086 ( -1.298 -2.757 1.985) 3.637 3.156 ( -6.508 -0.396 -2.097) 6.849 3.432 ( 0.672 -3.191 -1.181) 3.468 3.526 ( -0.801 -7.495 4.954) 9.020 3.632 ( 2.741 -0.917 -2.701) 3.956 3.664 ( 5.485 -7.562 -5.349) 10.765 3.971 ( -7.006 -1.259 1.291) 7.234 4.088 ( -3.084 -3.181 1.663) 4.733 4.148 ( -4.127 -1.503 2.006) 4.829 4.353 ( -3.306 -7.038 -1.442) 7.908 4.414 ( -7.880 6.046 4.762) 11.015 4.601 ( 1.215 -0.103 -4.049) 4.228 4.847 ( 1.594 -1.323 -3.206) 3.817 4.906 ( -0.859 -4.050 -3.593) 5.482 5.235 ( -5.119 -6.424 -3.841) 9.068 5.420 ( 2.597 0.759 -1.194) 2.957 5.474 ( 3.374 -2.639 -0.359) 4.299 5.593 ( -4.225 -6.812 -8.658) 11.799 5.946 ( -2.225 0.481 3.940) 4.550 6.082 ( 0.019 0.108 0.999) 1.005 6.419 ( 1.052 4.115 -1.716) 4.581 6.491 ( 8.810 5.580 0.739) 10.455 6.933 ( -3.438 -1.977 4.421) 5.939 6.984 ( -3.488 -1.568 1.405) 4.074 7.039 ( -0.548 2.153 4.781) 5.272 7.170 ( 2.091 2.655 4.729) 5.813 8.123 ( 3.195 4.476 -0.069) 5.500 8.198 ( 4.625 1.800 -0.506) 4.989 8.588 ( -5.432 -1.787 1.964) 6.047 8.671 ( 6.559 -3.147 7.807) 10.671 10.027 ( -1.805 0.900 1.520) 2.525 10.082 ( -2.760 -0.410 -0.109) 2.792 10.114 ( -1.279 1.057 -0.060) 1.661 10.188 ( -0.589 -0.539 -2.591) 2.711 10.606 ( -2.736 2.103 1.008) 3.595 10.682 ( 0.253 1.857 -1.274) 2.266 10.840 ( -2.856 -1.340 0.398) 3.180 10.866 ( -0.228 -0.766 1.353) 1.571 11.544 ( 0.249 1.423 0.785) 1.644 11.580 ( 0.770 1.152 -0.504) 1.474 11.661 ( -1.447 -0.571 -0.133) 1.561 11.712 ( 2.511 -1.254 1.389) 3.131 14.776 ( 0.443 -0.036 1.278) 1.353 14.802 ( -0.349 0.084 -0.040) 0.361 14.842 ( 0.372 -0.646 3.047) 3.137 14.887 ( -2.100 -0.619 -0.875) 2.357 15.239 ( -0.876 0.228 -1.243) 1.537 15.278 ( 1.533 -0.696 -1.194) 2.064 15.430 ( -0.899 0.479 0.779) 1.283 15.453 ( 0.463 0.042 0.499) 0.682 17.434 ( -1.606 0.105 0.661) 1.739 17.479 ( -1.519 0.295 1.063) 1.877 17.513 ( -0.762 -1.175 -0.337) 1.440 17.535 ( -1.041 -1.420 -1.601) 2.380 18.577 ( -3.078 2.247 -1.190) 3.992 18.639 ( 2.153 1.623 0.666) 2.777 18.882 ( 1.541 -2.659 -1.198) 3.298 18.905 ( 2.426 -1.839 -1.343) 3.327 27.826 ( 0.551 -0.358 1.169) 1.341 27.841 ( -0.150 -0.919 0.261) 0.967 27.876 ( 0.143 0.775 -0.483) 0.924 27.923 ( 1.278 -0.546 -1.498) 2.043 29.269 ( -2.395 5.426 -1.746) 6.183 29.308 ( 2.480 5.196 0.917) 5.830 29.665 ( -2.890 -3.048 -3.625) 5.548 29.683 ( 5.481 -2.858 5.626) 8.358 30.640 ( -1.299 -0.420 0.986) 1.684 30.715 ( -1.316 1.222 -3.418) 3.861 30.949 ( -1.911 0.861 -0.509) 2.157 31.101 ( 3.037 -1.583 -2.842) 4.450 32.388 ( -9.253 0.706 -1.142) 9.350 32.518 ( -0.786 -2.508 5.020) 5.666 32.695 ( -5.443 0.062 -2.653) 6.056 32.746 ( 8.314 -0.660 6.835) 10.784 ======================= Grid point 145 (78/129) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -17.380 5.222 -4.520) 18.702 1.778 ( -20.929 11.724 0.034) 23.990 1.964 ( 1.947 -4.397 2.044) 5.225 2.122 ( 9.652 -1.201 -6.230) 11.551 2.294 ( -9.462 -1.088 4.532) 10.547 2.377 ( 5.087 -3.474 -3.313) 6.995 2.601 ( -0.001 13.130 -7.691) 15.217 2.676 ( -3.585 13.112 -1.197) 13.646 2.905 ( -6.282 8.192 0.910) 10.364 3.025 ( -3.642 -4.947 0.353) 6.153 3.104 ( 2.982 3.230 1.987) 4.824 3.138 ( 5.168 2.070 1.989) 5.911 3.506 ( 5.212 -6.501 2.693) 8.756 3.594 ( 3.265 -3.432 4.379) 6.451 3.656 ( 3.953 -4.493 -1.610) 6.197 3.705 ( 6.167 1.450 -2.187) 6.702 3.932 ( -2.331 2.728 3.834) 5.251 4.086 ( -2.998 -7.156 6.330) 10.013 4.104 ( -3.493 0.002 1.025) 3.641 4.293 ( -3.303 -5.945 -0.028) 6.801 4.372 ( -4.491 5.991 8.277) 11.161 4.528 ( -4.253 -1.637 -3.227) 5.584 4.791 ( -3.647 -5.115 -2.029) 6.602 4.877 ( 2.074 -2.521 -4.557) 5.605 5.122 ( -3.959 -8.654 -2.782) 9.915 5.443 ( -2.778 -1.378 -3.892) 4.976 5.456 ( 2.325 -4.856 -1.544) 5.600 5.525 ( 3.549 0.779 -1.594) 3.968 5.979 ( -0.014 -1.415 4.754) 4.960 6.105 ( 1.634 0.092 0.681) 1.773 6.423 ( 1.988 1.245 -1.269) 2.667 6.640 ( 5.993 3.092 -0.718) 6.781 6.798 ( -7.100 5.869 0.038) 9.212 7.058 ( 1.263 -2.447 4.663) 5.416 7.111 ( 4.112 1.406 3.063) 5.317 7.266 ( 4.275 2.356 3.372) 5.932 8.185 ( 3.912 5.054 0.749) 6.435 8.252 ( 2.317 1.073 -0.881) 2.701 8.502 ( -5.423 -0.439 -1.324) 5.600 8.855 ( 7.142 -6.249 3.959) 10.282 9.993 ( -4.056 0.668 0.842) 4.196 10.013 ( -4.847 0.306 -0.360) 4.870 10.101 ( -1.598 0.168 0.891) 1.838 10.136 ( -1.895 -0.038 -2.891) 3.457 10.567 ( -3.544 1.842 1.292) 4.198 10.665 ( -0.730 2.063 -1.164) 2.479 10.795 ( -2.970 -0.567 0.309) 3.040 10.862 ( -2.393 -0.543 1.294) 2.774 11.555 ( 0.556 1.872 0.065) 1.954 11.594 ( 1.444 1.987 -0.213) 2.466 11.640 ( -0.540 -0.168 -0.184) 0.594 11.780 ( 3.716 -1.435 1.587) 4.288 14.785 ( -0.260 -0.428 0.438) 0.665 14.811 ( 1.016 -0.073 0.196) 1.037 14.861 ( -0.304 -0.356 -0.138) 0.488 14.900 ( 1.006 -1.418 4.969) 5.264 15.199 ( -1.671 0.921 -2.101) 2.838 15.276 ( 0.070 -0.359 -1.490) 1.534 15.429 ( -0.105 0.526 0.713) 0.892 15.468 ( 0.305 -0.085 0.617) 0.693 17.410 ( -2.502 -0.219 0.916) 2.673 17.468 ( -1.358 0.300 0.985) 1.704 17.491 ( -1.657 -2.164 0.389) 2.753 17.508 ( -0.652 -0.598 -0.288) 0.930 18.530 ( -1.787 3.181 0.296) 3.661 18.690 ( 2.276 0.266 1.573) 2.779 18.851 ( -0.331 -1.832 -4.497) 4.867 18.957 ( 3.848 -2.475 -0.272) 4.583 27.835 ( 0.144 -0.608 -0.742) 0.970 27.848 ( 0.298 -0.726 1.301) 1.519 27.874 ( 0.157 0.644 -0.734) 0.989 27.917 ( 0.748 -0.444 -2.242) 2.405 29.207 ( -2.480 4.183 -1.739) 5.165 29.363 ( 1.980 5.401 1.401) 5.921 29.550 ( -2.501 -1.261 -7.349) 7.865 29.850 ( 6.261 -3.940 5.894) 9.459 30.590 ( -3.795 1.538 -2.035) 4.572 30.675 ( -2.242 -0.035 0.330) 2.266 30.905 ( -3.080 2.055 0.122) 3.705 31.123 ( 2.954 -2.881 -1.910) 4.547 32.174 ( -14.542 0.361 -3.796) 15.034 32.380 ( -10.796 -5.924 -2.990) 12.673 32.755 ( 6.160 4.712 6.045) 9.833 32.979 ( 9.770 -1.909 6.631) 11.961 ======================= Grid point 146 (79/129) ======================= q-point: (-0.25 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -19.313 8.599 1.985) 21.234 1.394 ( -22.637 16.388 -0.585) 27.953 2.026 ( -8.246 -0.737 9.164) 12.350 2.143 ( -5.533 -8.549 -2.021) 10.382 2.193 ( -2.151 -7.171 2.014) 7.753 2.371 ( 0.340 -1.662 -2.893) 3.354 2.465 ( -10.422 13.497 0.595) 17.063 2.614 ( -2.746 7.356 -2.719) 8.309 2.830 ( -3.833 11.999 5.503) 13.746 2.942 ( -4.591 -5.098 -4.976) 8.475 3.172 ( 5.066 4.717 2.437) 7.339 3.259 ( 7.137 -0.411 1.347) 7.275 3.581 ( 1.417 -7.093 -0.062) 7.233 3.660 ( -5.274 -7.914 0.241) 9.513 3.715 ( 9.642 -0.788 -3.883) 10.425 3.820 ( 5.061 5.303 4.501) 8.602 3.941 ( -1.890 7.432 2.521) 8.072 4.098 ( 4.149 -0.432 -1.803) 4.545 4.138 ( 1.607 -7.712 5.585) 9.656 4.279 ( -0.611 -4.702 4.838) 6.774 4.430 ( -2.411 3.104 5.327) 6.620 4.483 ( -0.662 2.341 8.625) 8.962 4.704 ( -5.220 -5.002 0.249) 7.234 4.861 ( 3.318 -5.327 -5.289) 8.207 5.056 ( 0.091 -8.037 -3.303) 8.690 5.347 ( -2.468 -3.080 -4.097) 5.689 5.514 ( 3.818 0.854 1.076) 4.058 5.577 ( 3.331 -0.447 1.849) 3.836 6.035 ( 0.751 -3.813 3.388) 5.156 6.136 ( 2.388 -1.323 -1.524) 3.127 6.436 ( 1.511 1.421 -2.140) 2.980 6.612 ( -4.388 0.166 -0.134) 4.393 6.784 ( 2.857 12.718 -2.589) 13.290 7.089 ( -0.446 0.019 0.836) 0.948 7.228 ( 5.938 -2.554 1.043) 6.548 7.391 ( 7.710 1.082 1.535) 7.936 8.236 ( -1.755 1.742 -2.364) 3.421 8.252 ( 2.297 3.588 0.718) 4.321 8.397 ( -4.863 0.856 -1.916) 5.297 8.941 ( 2.642 -9.819 -5.884) 11.748 9.918 ( -5.625 0.210 0.253) 5.635 9.932 ( -5.729 0.280 0.780) 5.788 10.061 ( -2.228 0.686 -1.230) 2.636 10.099 ( -1.537 0.165 1.590) 2.218 10.527 ( -3.244 1.052 1.594) 3.765 10.632 ( -1.648 1.404 -1.375) 2.565 10.756 ( -2.715 0.252 0.496) 2.771 10.817 ( -4.593 -0.036 1.024) 4.706 11.565 ( 1.146 1.777 -0.736) 2.239 11.621 ( 2.434 4.540 -0.555) 5.181 11.649 ( 1.298 0.217 0.906) 1.598 11.859 ( 4.100 -0.958 0.827) 4.291 14.788 ( 0.777 -1.270 -0.493) 1.568 14.828 ( 0.606 -1.559 0.295) 1.699 14.871 ( 1.125 0.540 0.471) 1.334 14.969 ( 0.457 -1.979 3.902) 4.399 15.145 ( -1.848 1.602 -1.741) 3.002 15.256 ( -0.138 0.935 -1.435) 1.719 15.437 ( 0.033 -0.276 0.419) 0.503 15.476 ( -0.162 0.160 0.588) 0.631 17.378 ( -2.583 -0.421 0.758) 2.724 17.441 ( -1.162 -1.778 -1.350) 2.517 17.499 ( -0.052 -0.060 0.316) 0.326 17.516 ( -0.107 -1.287 5.938) 6.076 18.532 ( 0.098 4.179 2.449) 4.845 18.732 ( 0.711 -1.885 0.015) 2.015 18.784 ( -1.022 0.761 -3.819) 4.026 19.016 ( 4.003 -2.931 -0.286) 4.970 27.828 ( 0.760 -0.247 -1.740) 1.915 27.857 ( -0.067 -0.096 -1.247) 1.252 27.872 ( 0.380 -0.381 0.813) 0.975 27.905 ( 0.454 0.038 -1.066) 1.159 29.154 ( -2.302 2.812 -0.985) 3.766 29.343 ( -4.396 -1.114 -3.785) 5.907 29.482 ( 3.238 8.916 -2.910) 9.922 30.012 ( 6.514 -4.524 4.813) 9.276 30.497 ( -4.967 2.434 -1.570) 5.750 30.622 ( -5.095 -0.639 0.370) 5.148 30.858 ( -3.274 2.836 0.517) 4.363 31.141 ( 0.543 -3.605 -0.934) 3.764 31.858 ( -16.327 0.268 -6.254) 17.486 32.202 ( -10.134 -10.755 0.763) 14.797 32.950 ( 10.148 6.044 4.925) 12.798 33.187 ( 9.301 -1.492 2.235) 9.682 ======================= Grid point 147 (80/129) ======================= q-point: (-0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -14.243 13.312 16.069) 25.264 1.128 ( -16.103 19.006 10.010) 26.846 1.804 ( -28.377 11.682 19.161) 36.178 2.020 ( -9.573 -11.483 -1.314) 15.008 2.187 ( -2.362 -12.295 -1.413) 12.599 2.351 ( -2.302 0.274 -1.461) 2.740 2.435 ( 3.283 8.980 5.188) 10.878 2.533 ( -5.964 6.632 -0.129) 8.920 2.743 ( -10.443 5.273 3.461) 12.200 2.874 ( 0.530 0.951 -0.768) 1.333 3.316 ( 5.921 1.092 -5.902) 8.432 3.399 ( 6.822 -4.623 7.427) 11.093 3.526 ( -8.031 -9.719 2.227) 12.803 3.600 ( 2.736 1.522 -0.324) 3.147 3.779 ( 9.060 -5.117 -11.773) 15.712 3.903 ( -3.469 8.500 -2.039) 9.404 3.918 ( 0.719 2.835 5.991) 6.667 4.177 ( 5.910 0.698 0.816) 6.007 4.232 ( 3.669 0.649 1.768) 4.124 4.370 ( 1.555 -2.256 4.563) 5.323 4.507 ( 1.558 -3.987 9.877) 10.764 4.517 ( -1.600 2.189 1.770) 3.238 4.720 ( 1.047 0.577 8.085) 8.173 4.885 ( 3.924 -8.951 0.097) 9.774 5.051 ( 2.666 -5.542 -1.646) 6.366 5.275 ( -1.002 -2.468 -3.594) 4.473 5.595 ( 3.928 4.180 1.281) 5.877 5.673 ( 2.555 -0.400 6.240) 6.755 6.065 ( 0.674 -5.246 -0.323) 5.299 6.142 ( 2.369 -0.865 -3.679) 4.461 6.410 ( -0.375 1.919 -4.055) 4.502 6.570 ( -2.284 -0.339 1.585) 2.800 6.763 ( 1.319 14.388 -7.236) 16.158 7.071 ( -0.570 -0.717 -2.856) 2.999 7.275 ( 3.411 -2.651 -7.355) 8.530 7.532 ( 8.327 -2.911 -0.924) 8.869 8.134 ( -5.466 1.018 -4.226) 6.983 8.250 ( -0.712 2.636 -4.856) 5.571 8.347 ( -1.963 2.078 3.618) 4.611 8.726 ( -12.702 -7.082 -18.522) 23.549 9.840 ( -4.865 -0.090 1.479) 5.086 9.846 ( -5.680 -0.103 0.953) 5.760 10.069 ( 0.960 -1.252 4.033) 4.330 10.115 ( 0.535 -0.514 4.503) 4.564 10.507 ( -1.506 -0.530 1.882) 2.468 10.585 ( -2.051 0.074 -1.425) 2.498 10.706 ( -4.674 -0.176 0.673) 4.726 10.759 ( -3.397 0.232 0.689) 3.474 11.576 ( 1.434 1.655 -1.029) 2.419 11.646 ( 2.076 4.560 -1.759) 5.310 11.714 ( 5.419 3.229 0.807) 6.360 11.920 ( 3.247 -0.140 -0.722) 3.329 14.785 ( 0.116 -2.049 -2.609) 3.319 14.834 ( -0.292 -2.656 0.653) 2.751 14.899 ( 1.625 1.513 0.359) 2.249 14.978 ( -0.935 1.029 -0.668) 1.543 15.125 ( -0.836 -0.219 1.846) 2.038 15.250 ( 1.175 1.842 -1.101) 2.447 15.435 ( -0.530 -0.984 0.133) 1.125 15.473 ( -0.842 -0.018 0.263) 0.883 17.349 ( -1.839 -0.430 0.618) 1.987 17.413 ( -0.590 -2.083 -1.107) 2.431 17.504 ( 0.780 0.520 -0.276) 0.977 17.611 ( 1.092 -4.516 6.774) 8.214 18.587 ( 2.080 6.518 2.458) 7.270 18.695 ( -0.968 -0.482 1.438) 1.799 18.776 ( 0.433 0.433 -0.124) 0.624 19.078 ( 3.792 -2.990 0.136) 4.831 27.826 ( 1.560 0.189 -1.200) 1.977 27.835 ( -0.083 0.371 -1.976) 2.012 27.888 ( 0.908 -0.086 0.371) 0.984 27.918 ( 0.541 0.051 1.638) 1.725 29.115 ( -1.850 2.003 0.087) 2.729 29.228 ( -4.071 -0.480 -0.409) 4.120 29.529 ( 4.997 13.489 -1.640) 14.478 30.168 ( 6.385 -5.113 4.292) 9.237 30.411 ( -4.259 2.573 0.184) 4.979 30.528 ( -5.609 -0.420 -0.974) 5.708 30.812 ( -3.111 3.179 0.081) 4.448 31.066 ( -10.074 -2.199 -1.362) 10.401 31.589 ( -6.576 -2.334 -5.743) 9.037 32.058 ( -13.543 -20.240 6.243) 25.140 33.168 ( 13.137 6.680 -1.069) 14.777 33.288 ( 5.361 2.204 -7.119) 9.180 ======================= Grid point 148 (81/129) ======================= q-point: (-0.08 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -8.903 11.003 22.808) 26.843 1.109 ( -8.980 15.496 21.092) 27.670 1.762 ( -10.286 18.593 28.985) 35.940 1.873 ( -7.093 -11.066 3.733) 13.663 2.097 ( -2.888 -15.421 -4.169) 16.234 2.305 ( -0.568 2.006 0.134) 2.089 2.422 ( -6.567 7.568 0.364) 10.026 2.542 ( -0.984 6.958 5.973) 9.223 2.681 ( -2.943 7.548 4.201) 9.126 2.909 ( 1.727 0.772 2.039) 2.782 3.270 ( 1.576 1.219 -8.658) 8.885 3.432 ( -4.814 -9.875 0.197) 10.988 3.477 ( -1.530 -5.642 0.844) 5.906 3.683 ( 3.473 -0.784 -3.258) 4.826 3.760 ( -3.936 10.146 -9.175) 14.234 3.820 ( 6.019 -1.397 -2.945) 6.845 4.023 ( 1.694 0.025 5.457) 5.714 4.278 ( 1.251 -5.894 6.327) 8.737 4.296 ( -0.795 -2.005 6.138) 6.506 4.397 ( 2.450 0.298 0.854) 2.611 4.564 ( 6.637 8.029 2.394) 10.688 4.666 ( 2.916 -4.607 6.605) 8.565 4.871 ( 6.594 -4.682 6.875) 10.615 4.945 ( -2.472 -3.521 6.078) 7.447 5.097 ( 2.525 -0.482 1.567) 3.011 5.245 ( 2.517 -2.463 -3.317) 4.838 5.631 ( 0.010 5.274 -1.454) 5.471 5.749 ( -3.041 -1.012 4.284) 5.351 6.074 ( 3.576 -4.393 -2.092) 6.039 6.138 ( 2.571 0.075 -4.717) 5.372 6.339 ( -1.635 2.116 -5.313) 5.947 6.539 ( -3.502 -2.044 0.097) 4.056 6.671 ( -0.064 14.597 -10.861) 18.194 7.004 ( -0.888 -2.343 -6.730) 7.181 7.182 ( 0.701 0.455 -13.613) 13.639 7.496 ( -8.010 -4.423 -12.912) 15.825 8.034 ( 0.965 1.283 -2.373) 2.865 8.128 ( -5.723 0.931 -6.778) 8.920 8.303 ( -7.373 2.936 -0.854) 7.982 8.406 ( -2.647 1.674 -0.180) 3.137 9.788 ( -3.140 0.392 2.065) 3.779 9.812 ( -1.748 0.478 2.606) 3.174 10.123 ( 0.550 -1.842 4.419) 4.819 10.232 ( 3.693 -3.966 5.786) 7.927 10.525 ( 1.078 -0.822 -0.225) 1.374 10.546 ( -1.103 -4.793 1.388) 5.110 10.636 ( -4.637 -0.339 1.096) 4.777 10.720 ( -2.304 -1.380 0.093) 2.687 11.584 ( 1.033 1.822 -1.049) 2.343 11.646 ( 0.762 5.259 -2.376) 5.821 11.802 ( 5.238 0.602 -2.241) 5.729 11.940 ( 1.512 0.256 -2.885) 3.267 14.741 ( -1.209 0.262 -0.904) 1.532 14.840 ( 0.636 -2.103 -0.436) 2.240 14.924 ( 0.612 1.548 0.529) 1.747 14.961 ( -0.494 1.687 -0.221) 1.772 15.143 ( -0.041 -0.419 2.436) 2.472 15.257 ( 1.406 2.314 -1.726) 3.211 15.429 ( -0.508 -1.809 0.493) 1.943 15.454 ( -1.371 -0.426 -0.205) 1.451 17.336 ( -0.670 -0.366 0.705) 1.039 17.398 ( 0.068 -2.052 -0.808) 2.207 17.516 ( 0.986 0.540 -0.335) 1.173 17.626 ( -4.888 -4.766 0.518) 6.847 18.582 ( -1.776 5.334 0.022) 5.622 18.766 ( -0.711 -0.432 -1.042) 1.333 18.853 ( 9.092 0.045 7.848) 12.011 19.131 ( 2.330 -2.633 0.087) 3.517 27.813 ( 0.032 0.401 -1.685) 1.733 27.847 ( 1.450 -0.675 -0.718) 1.753 27.919 ( 1.109 -0.067 1.562) 1.917 27.952 ( 1.732 0.266 1.374) 2.227 29.104 ( -0.468 2.219 1.784) 2.886 29.265 ( 3.542 -2.239 5.680) 7.058 29.637 ( 13.533 15.718 -0.496) 20.747 30.257 ( -1.469 -4.639 1.655) 5.140 30.384 ( -2.600 2.706 2.304) 4.403 30.482 ( 5.185 -0.605 -0.995) 5.314 30.739 ( -7.072 0.509 -1.422) 7.231 30.830 ( -12.417 1.249 -2.055) 12.647 31.517 ( 0.572 -8.407 -1.280) 8.523 31.882 ( -19.691 -25.405 9.285) 33.457 33.158 ( -2.441 17.299 -15.216) 23.168 33.319 ( 8.417 3.238 -6.476) 11.103 ======================= Grid point 149 (82/129) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -2.005 13.066 16.043) 20.788 1.492 ( -3.425 6.862 17.440) 19.052 1.711 ( 3.685 -9.416 15.598) 18.589 1.783 ( 1.594 -12.223 11.311) 16.729 2.131 ( 0.964 6.331 -4.692) 7.938 2.254 ( 1.225 -5.701 -3.196) 6.649 2.701 ( -5.816 8.978 1.780) 10.844 2.785 ( 0.025 23.056 14.832) 27.414 2.850 ( -4.598 -3.041 -1.525) 5.720 2.988 ( 4.936 13.057 -7.107) 15.664 3.209 ( 1.536 -8.396 3.628) 9.274 3.282 ( 3.757 -3.994 3.464) 6.485 3.395 ( -0.006 0.038 3.031) 3.031 3.538 ( 1.054 -15.716 5.400) 16.652 3.756 ( -5.257 7.750 -8.207) 12.452 3.836 ( -5.441 0.348 -6.183) 8.243 4.034 ( -2.298 0.769 4.230) 4.875 4.110 ( -3.451 -6.811 6.691) 10.152 4.296 ( -4.479 2.196 1.906) 5.340 4.385 ( -2.192 -6.091 1.024) 6.554 4.728 ( -1.182 2.994 5.571) 6.434 4.819 ( 1.053 -5.785 5.319) 7.929 4.990 ( 12.677 9.604 1.481) 15.973 5.060 ( -2.480 5.131 2.769) 6.336 5.175 ( 5.477 -4.088 2.286) 7.206 5.206 ( 7.819 -7.147 -1.948) 10.771 5.608 ( -7.756 2.085 0.990) 8.092 5.646 ( -9.136 -0.787 1.002) 9.224 6.045 ( 2.459 -0.962 -5.211) 5.842 6.062 ( 1.689 -2.237 -5.889) 6.522 6.335 ( -1.678 3.232 -3.366) 4.959 6.401 ( -2.946 -3.228 -3.366) 5.517 6.756 ( 1.541 6.345 -8.015) 10.338 6.852 ( 1.384 -3.806 -6.958) 8.051 7.110 ( -1.338 5.695 -13.909) 15.089 7.194 ( -4.658 -2.213 -11.072) 12.214 8.050 ( 2.463 1.451 -2.782) 3.989 8.072 ( 4.467 -0.573 -2.896) 5.354 8.329 ( 0.141 1.934 -0.724) 2.070 8.365 ( -1.508 -1.527 -0.998) 2.367 9.833 ( 0.448 2.464 4.160) 4.855 9.860 ( 0.980 0.407 3.765) 3.912 10.146 ( -0.002 -0.743 3.925) 3.994 10.200 ( -0.713 -5.865 3.729) 6.986 10.493 ( -0.762 1.220 0.738) 1.616 10.528 ( 1.518 -1.862 0.096) 2.404 10.603 ( -1.168 1.082 0.487) 1.665 10.639 ( -1.323 -2.287 -0.160) 2.647 11.636 ( 0.502 2.813 -0.093) 2.859 11.680 ( 0.010 -0.490 -0.097) 0.500 11.804 ( -0.450 1.933 -5.660) 5.998 11.862 ( -1.396 -2.854 -5.419) 6.282 14.768 ( 0.576 1.204 0.347) 1.379 14.798 ( 0.179 -1.795 -0.541) 1.884 14.939 ( -2.562 1.037 1.054) 2.958 14.955 ( -2.179 -0.420 0.907) 2.398 15.216 ( 0.916 3.102 1.537) 3.581 15.276 ( 1.165 -1.934 0.030) 2.258 15.401 ( 0.304 0.600 -1.022) 1.224 15.426 ( 1.119 -1.266 -1.097) 2.015 17.342 ( 0.513 0.381 0.495) 0.809 17.361 ( 0.603 -1.462 -0.027) 1.582 17.517 ( -3.487 0.091 0.518) 3.527 17.522 ( -1.144 -0.331 0.195) 1.207 18.659 ( -1.435 4.290 1.461) 4.753 18.723 ( -1.042 -1.847 0.177) 2.128 19.015 ( 2.648 1.531 1.777) 3.537 19.078 ( 0.477 -3.931 -0.177) 3.964 27.813 ( 0.080 0.879 -0.424) 0.979 27.834 ( 0.165 -1.030 -0.297) 1.085 27.947 ( 0.228 0.940 0.323) 1.020 27.969 ( 0.715 -1.152 0.044) 1.356 29.242 ( 3.031 5.509 4.330) 7.635 29.327 ( 3.135 -2.347 3.369) 5.165 30.046 ( 9.255 2.637 -2.891) 10.048 30.109 ( -3.052 -3.304 -3.483) 5.689 30.473 ( -0.234 4.632 2.655) 5.344 30.541 ( -1.581 -1.007 0.146) 1.880 30.598 ( 4.172 -1.308 -0.487) 4.400 30.625 ( -9.363 -4.055 0.061) 10.203 31.383 ( -2.394 2.691 7.074) 7.938 31.528 ( 2.413 -10.025 2.431) 10.594 33.258 ( -2.594 8.381 -8.330) 12.097 33.337 ( -0.577 -0.228 -8.626) 8.649 ======================= Grid point 150 (83/129) ======================= q-point: ( 0.08 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 1.843 8.661 14.445) 16.943 1.679 ( 1.281 -4.463 17.480) 18.086 1.960 ( 2.998 0.458 15.768) 16.057 2.016 ( 4.556 -5.466 10.734) 12.879 2.159 ( 10.857 5.160 -1.130) 12.074 2.260 ( 6.136 -3.729 -6.976) 10.011 2.603 ( -5.625 5.727 -1.463) 8.160 2.722 ( -2.161 -5.230 -6.315) 8.480 2.881 ( 3.431 13.454 -12.788) 18.876 2.943 ( 5.652 12.085 -5.194) 14.316 3.292 ( 3.850 0.881 7.517) 8.492 3.449 ( -5.221 3.058 6.705) 9.031 3.477 ( 5.863 -3.742 10.270) 12.404 3.559 ( 0.323 2.299 1.203) 2.614 3.626 ( -9.948 -2.118 -4.390) 11.078 3.720 ( -0.692 -9.953 4.433) 10.918 4.029 ( -4.940 2.845 5.537) 7.947 4.125 ( -3.442 -4.814 5.478) 8.064 4.269 ( -2.998 0.521 3.985) 5.014 4.378 ( -1.596 -8.455 3.568) 9.314 4.668 ( -10.903 5.629 4.243) 12.983 4.771 ( -15.138 -1.183 1.191) 15.230 4.913 ( -2.282 5.644 -4.832) 7.772 5.108 ( -5.623 -9.832 -2.488) 11.596 5.307 ( 12.340 3.417 2.823) 13.112 5.341 ( 4.963 0.598 -2.309) 5.506 5.523 ( -4.629 1.509 0.200) 4.873 5.589 ( 2.397 -5.356 5.199) 7.840 6.031 ( 1.973 3.921 0.065) 4.390 6.094 ( 3.550 -1.497 -2.113) 4.394 6.251 ( -2.370 1.817 -5.030) 5.850 6.327 ( 1.488 -4.897 -3.469) 6.183 6.747 ( 3.361 6.023 -2.878) 7.474 6.842 ( 3.110 -2.439 -3.282) 5.137 6.944 ( -0.875 3.877 -9.792) 10.568 7.009 ( -3.034 -1.639 -10.804) 11.341 8.076 ( 4.376 2.436 -3.622) 6.181 8.111 ( 4.770 -0.691 -3.805) 6.140 8.347 ( 1.002 -0.014 -0.094) 1.006 8.359 ( 3.242 -1.185 -0.882) 3.562 9.887 ( 1.228 3.119 2.491) 4.177 9.910 ( 1.155 1.454 1.845) 2.618 10.181 ( -1.222 -2.857 3.554) 4.721 10.200 ( -2.374 -4.694 1.417) 5.448 10.498 ( 0.465 2.230 0.652) 2.370 10.552 ( 1.768 -2.680 -0.669) 3.279 10.621 ( 2.151 0.740 0.809) 2.414 10.645 ( 2.206 -1.622 0.085) 2.740 11.642 ( 0.028 3.072 0.455) 3.106 11.662 ( -1.373 2.898 -1.514) 3.546 11.747 ( -1.207 -2.045 -1.240) 2.679 11.775 ( -2.743 -3.149 -3.519) 5.461 14.776 ( -0.073 0.241 0.110) 0.275 14.788 ( -0.503 -0.896 -0.954) 1.402 14.904 ( -3.512 1.569 1.859) 4.272 14.930 ( -2.509 -0.927 1.816) 3.233 15.230 ( -0.276 2.180 0.366) 2.228 15.279 ( -0.435 -2.068 -0.357) 2.144 15.409 ( 1.734 1.666 -0.869) 2.557 15.446 ( 2.094 -1.611 -0.535) 2.695 17.358 ( 0.912 0.220 0.216) 0.963 17.372 ( 1.069 -1.139 -0.357) 1.602 17.479 ( -2.276 1.627 1.531) 3.189 17.513 ( -0.776 -1.729 1.279) 2.287 18.660 ( -0.832 3.926 2.154) 4.555 18.708 ( -0.712 -0.449 -0.019) 0.842 19.047 ( -0.459 -1.244 0.784) 1.540 19.061 ( -1.523 -2.147 -0.967) 2.804 27.813 ( -0.056 0.849 0.198) 0.873 27.830 ( -0.257 -0.639 -0.296) 0.750 27.948 ( -0.251 1.000 -0.026) 1.032 27.973 ( 0.199 -1.406 -0.426) 1.482 29.326 ( 1.727 5.366 2.065) 6.003 29.371 ( 1.143 1.337 -0.729) 1.904 29.961 ( -8.631 4.442 -3.416) 10.291 30.128 ( 0.269 -11.648 0.216) 11.654 30.436 ( -1.047 2.493 0.947) 2.865 30.492 ( -0.379 -3.035 0.426) 3.088 30.687 ( 10.236 2.111 -0.015) 10.452 30.728 ( 8.820 -1.897 -1.034) 9.081 31.466 ( 5.159 6.773 3.543) 9.222 31.665 ( 10.758 -12.100 2.572) 16.394 33.108 ( -7.511 7.977 -3.161) 11.404 33.187 ( -6.929 -0.299 -6.143) 9.265 ======================= Grid point 151 (84/129) ======================= q-point: ( 0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 7.318 6.748 12.184) 15.733 1.913 ( 4.950 -8.403 13.430) 16.598 2.097 ( 2.634 4.716 5.286) 7.558 2.179 ( 3.458 -3.433 3.818) 6.190 2.234 ( 5.917 3.834 -11.924) 13.853 2.320 ( 3.356 -3.561 -0.717) 4.946 2.557 ( 4.871 7.222 -3.039) 9.226 2.663 ( 3.288 -0.802 -5.152) 6.165 2.841 ( 3.379 11.355 -2.852) 12.185 2.981 ( 5.988 -0.497 -3.433) 6.920 3.316 ( -10.259 4.784 -1.105) 11.373 3.383 ( -10.991 1.974 -6.062) 12.706 3.464 ( 2.832 0.741 5.740) 6.444 3.588 ( 2.185 2.280 2.413) 3.974 3.701 ( -4.301 -9.186 2.088) 10.355 3.733 ( 1.491 -3.841 12.204) 12.881 4.034 ( -0.278 4.373 4.249) 6.104 4.133 ( -1.586 -4.481 3.494) 5.899 4.275 ( -1.585 3.017 2.320) 4.123 4.386 ( -10.028 -3.887 3.801) 11.407 4.480 ( -8.589 5.325 1.410) 10.204 4.600 ( -5.907 -4.456 5.890) 9.458 4.861 ( -0.367 -0.860 -4.092) 4.198 4.969 ( -4.192 -9.463 -4.860) 11.434 5.307 ( -1.779 2.230 -3.202) 4.289 5.366 ( -0.823 -3.447 -6.291) 7.220 5.604 ( 5.211 8.181 9.255) 13.406 5.761 ( 5.550 -7.240 8.956) 12.784 6.017 ( -1.268 4.458 -4.708) 6.606 6.081 ( -0.137 -2.310 -6.042) 6.470 6.230 ( 3.606 8.988 4.354) 10.618 6.417 ( 6.060 -8.945 4.680) 11.775 6.713 ( 0.327 5.330 -10.086) 11.413 6.787 ( -0.453 -0.402 -9.765) 9.783 6.889 ( -0.294 2.728 0.291) 2.759 6.960 ( 1.269 -3.198 5.432) 6.429 8.096 ( 3.788 2.347 -4.346) 6.225 8.142 ( 4.589 -1.852 -3.935) 6.322 8.379 ( 2.224 1.113 1.279) 2.797 8.403 ( 2.110 -1.333 0.217) 2.505 9.930 ( 2.492 2.056 0.129) 3.233 9.942 ( 1.812 1.203 0.231) 2.187 10.171 ( -2.329 -2.321 0.276) 3.300 10.181 ( -2.375 -3.163 1.878) 4.378 10.527 ( 2.335 2.511 0.509) 3.467 10.578 ( 2.995 -1.985 -1.219) 3.795 10.675 ( 2.860 0.510 1.211) 3.148 10.696 ( 3.240 -1.416 0.592) 3.585 11.610 ( -1.992 3.327 -1.607) 4.197 11.651 ( -0.474 2.345 0.666) 2.483 11.694 ( -2.740 -1.814 -1.448) 3.591 11.742 ( -1.165 -3.381 1.712) 3.965 14.754 ( -1.627 0.401 -1.082) 1.995 14.771 ( -0.840 -1.242 -0.246) 1.520 14.882 ( -2.223 2.617 2.790) 4.425 14.924 ( -1.400 -1.236 2.537) 3.151 15.225 ( 0.067 1.061 -0.618) 1.230 15.262 ( -0.395 -2.313 -1.129) 2.604 15.426 ( 1.172 2.070 -0.502) 2.431 15.468 ( 1.086 -1.733 -0.346) 2.074 17.377 ( 1.419 0.272 -0.068) 1.446 17.390 ( 2.000 -1.090 -0.526) 2.338 17.476 ( -0.835 2.275 1.940) 3.105 17.526 ( -0.329 -2.575 2.245) 3.432 18.680 ( -0.088 2.898 2.553) 3.863 18.705 ( 0.053 0.891 0.665) 1.113 18.998 ( -3.375 -0.242 -2.236) 4.056 19.033 ( -2.234 -3.262 -0.347) 3.969 27.812 ( -0.412 0.438 0.073) 0.606 27.819 ( -0.442 -0.224 -0.465) 0.680 27.938 ( -0.690 1.281 -0.374) 1.503 27.968 ( -0.125 -1.587 -0.594) 1.699 29.322 ( -0.295 4.556 -2.858) 5.386 29.377 ( 0.687 -0.041 -1.733) 1.864 29.800 ( -7.785 11.072 -0.796) 13.559 30.060 ( -8.798 -13.383 2.643) 16.233 30.486 ( 5.308 2.442 -0.727) 5.887 30.553 ( 7.319 -3.933 -1.695) 8.480 30.839 ( 7.388 0.133 1.612) 7.563 30.846 ( 7.361 -0.572 -0.825) 7.429 31.624 ( 12.621 10.681 -1.173) 16.575 31.891 ( 13.584 -15.371 1.023) 20.539 32.962 ( -9.436 5.131 1.692) 10.873 33.008 ( -9.255 0.715 -1.296) 9.373 ======================= Grid point 152 (85/129) ======================= q-point: ( 0.25 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.428 6.198 1.598) 8.392 2.063 ( 1.829 -1.397 2.238) 3.210 2.146 ( 3.508 1.124 -4.950) 6.170 2.163 ( -2.072 0.971 1.643) 2.817 2.283 ( 8.422 -0.161 -10.918) 13.790 2.314 ( 0.070 -3.991 -1.146) 4.153 2.644 ( 5.416 3.668 3.838) 7.584 2.690 ( -1.582 -0.374 4.332) 4.627 2.867 ( 1.864 10.921 -3.011) 11.481 3.011 ( 0.222 2.064 -0.704) 2.192 3.120 ( -8.429 1.362 -2.647) 8.939 3.250 ( -0.289 -0.077 -0.134) 0.328 3.460 ( -6.100 -1.104 2.522) 6.693 3.512 ( -5.450 -4.383 -5.282) 8.764 3.789 ( 4.187 2.213 8.344) 9.595 3.842 ( -0.381 -2.849 4.817) 5.610 4.085 ( -3.135 4.947 3.108) 6.630 4.160 ( -0.342 6.343 -0.881) 6.413 4.185 ( -7.554 -3.994 6.779) 10.907 4.276 ( -1.239 -2.643 2.486) 3.834 4.527 ( 5.691 -2.513 -0.832) 6.277 4.610 ( 1.879 -9.158 -0.519) 9.364 4.794 ( -0.131 3.161 -4.972) 5.894 4.902 ( -0.201 -5.747 -1.848) 6.040 5.246 ( -1.968 -0.969 -5.436) 5.862 5.270 ( -1.077 -3.157 -4.147) 5.322 5.770 ( 2.840 7.788 7.447) 11.144 5.881 ( 0.517 -1.546 1.422) 2.164 5.960 ( -0.083 1.440 -2.310) 2.723 6.018 ( -0.303 -3.597 -2.139) 4.196 6.391 ( 6.049 8.794 7.602) 13.104 6.549 ( 3.352 -4.485 2.536) 6.147 6.611 ( 1.027 1.699 -5.673) 6.011 6.669 ( -1.776 -2.341 -5.163) 5.940 6.934 ( -0.001 4.795 5.825) 7.545 7.042 ( -1.245 -4.970 7.992) 9.493 8.103 ( 2.102 2.279 -2.803) 4.179 8.157 ( 1.884 -2.725 -3.352) 4.713 8.431 ( 0.392 1.171 2.206) 2.528 8.445 ( 1.900 -0.133 3.746) 4.203 9.968 ( 2.968 1.112 -0.481) 3.206 9.987 ( 3.480 -0.499 -0.539) 3.557 10.134 ( -1.757 0.554 -0.236) 1.857 10.168 ( -0.170 -2.559 -0.047) 2.565 10.577 ( 3.114 2.460 0.338) 3.983 10.619 ( 3.586 -1.109 -1.147) 3.925 10.732 ( 2.306 0.557 1.251) 2.682 10.756 ( 2.744 -1.703 1.492) 3.557 11.567 ( -1.665 2.580 -0.623) 3.133 11.624 ( -2.046 -2.703 -0.827) 3.489 11.668 ( -1.080 3.741 1.201) 4.075 11.741 ( -1.707 -3.135 1.936) 4.060 14.721 ( -1.258 0.928 -0.267) 1.586 14.756 ( -0.785 -2.471 0.242) 2.604 14.891 ( -0.829 3.373 2.546) 4.307 14.937 ( -0.595 -0.966 2.358) 2.617 15.221 ( 0.774 0.158 -1.177) 1.418 15.245 ( 0.300 -2.155 -1.643) 2.726 15.434 ( 0.263 1.869 -0.065) 1.889 15.473 ( -0.054 -1.656 -0.147) 1.664 17.404 ( 2.112 0.616 -0.235) 2.212 17.424 ( 2.859 -1.357 -0.641) 3.229 17.488 ( -0.283 2.629 1.603) 3.092 17.546 ( -0.498 -3.084 2.300) 3.879 18.705 ( 0.272 2.542 1.412) 2.920 18.726 ( 0.614 1.333 1.926) 2.421 18.903 ( -4.043 1.267 -3.739) 5.651 18.974 ( -3.543 -4.699 -1.498) 6.073 27.801 ( -0.705 0.307 -0.273) 0.816 27.809 ( -0.259 -0.405 -0.266) 0.549 27.918 ( -0.943 1.777 -0.825) 2.174 27.954 ( -0.635 -1.765 -0.911) 2.085 29.286 ( 0.401 3.994 -3.115) 5.081 29.351 ( 0.265 -2.125 -3.333) 3.962 29.702 ( -5.176 13.101 1.285) 14.145 29.945 ( -8.562 -10.263 2.097) 13.530 30.554 ( 3.972 2.833 -0.583) 4.914 30.648 ( 6.367 -5.948 -1.928) 8.924 30.935 ( 4.336 1.951 0.305) 4.764 30.969 ( 7.144 -1.356 0.304) 7.278 31.826 ( 14.724 10.421 -2.407) 18.198 32.081 ( 10.265 -14.535 -2.026) 17.909 32.849 ( -8.631 3.957 4.173) 10.371 32.898 ( -6.264 -0.725 4.474) 7.731 ======================= Grid point 153 (86/129) ======================= q-point: ( 0.33 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.087 10.854 -8.618) 13.859 2.025 ( -2.754 8.326 -4.610) 9.908 2.123 ( -4.431 -1.197 0.561) 4.624 2.177 ( -0.771 -7.822 -3.402) 8.564 2.232 ( 3.470 -2.368 1.035) 4.327 2.248 ( -2.593 -3.545 -11.281) 12.105 2.730 ( -2.835 5.378 11.362) 12.886 2.768 ( 1.617 5.711 4.241) 7.295 2.881 ( 2.798 1.580 2.887) 4.320 3.002 ( -2.909 13.444 2.290) 13.945 3.069 ( 5.206 -10.540 -2.415) 12.001 3.268 ( -2.226 -9.241 0.189) 9.507 3.346 ( -2.324 9.941 -1.235) 10.283 3.458 ( 1.090 -1.398 -3.578) 3.993 3.821 ( -3.367 0.307 0.838) 3.484 3.917 ( -3.695 -8.471 -0.460) 9.253 3.990 ( -4.060 9.092 7.884) 12.700 4.165 ( -5.387 -5.471 6.223) 9.884 4.201 ( -0.239 2.863 0.377) 2.898 4.298 ( 1.223 -4.005 -0.696) 4.245 4.591 ( 5.728 -1.731 -5.086) 7.853 4.636 ( 9.333 -5.120 -8.220) 13.449 4.801 ( 3.563 5.162 -0.298) 6.279 4.900 ( 0.519 -3.690 0.109) 3.728 5.138 ( -0.157 0.701 -6.872) 6.909 5.234 ( 1.566 -7.357 -4.123) 8.577 5.827 ( 1.565 5.040 -4.229) 6.763 5.854 ( -2.380 4.227 -3.110) 5.762 5.942 ( 0.174 -0.687 -1.153) 1.353 5.997 ( -0.454 -4.359 -0.897) 4.473 6.492 ( 1.498 5.869 -2.964) 6.744 6.605 ( 1.366 -2.696 -1.133) 3.227 6.628 ( 1.474 1.482 8.262) 8.522 6.681 ( -0.804 -2.570 9.837) 10.199 7.010 ( 0.795 4.197 6.582) 7.847 7.105 ( -0.636 -4.162 6.648) 7.869 8.097 ( -0.722 1.011 -0.344) 1.288 8.126 ( -1.804 -1.722 -1.411) 2.865 8.460 ( -0.700 3.764 3.447) 5.151 8.521 ( 0.413 -2.257 5.736) 6.178 10.015 ( 2.739 0.045 0.268) 2.753 10.019 ( 0.947 -0.427 -0.002) 1.039 10.134 ( 2.555 1.997 -0.870) 3.358 10.175 ( 1.670 -2.015 -0.997) 2.801 10.627 ( 2.635 2.334 0.117) 3.522 10.662 ( 3.078 -0.631 -0.858) 3.257 10.775 ( 1.295 0.987 1.259) 2.058 10.811 ( 1.498 -2.257 1.904) 3.311 11.544 ( -0.929 1.986 0.198) 2.202 11.591 ( -1.268 -2.546 -0.106) 2.846 11.663 ( -1.034 3.626 0.710) 3.837 11.728 ( -2.107 -2.657 1.141) 3.578 14.711 ( -0.352 1.143 0.704) 1.388 14.754 ( -0.217 -3.068 0.817) 3.182 14.902 ( -0.837 3.515 1.394) 3.873 14.951 ( -0.600 -1.177 1.579) 2.059 15.223 ( 1.300 -0.120 -1.442) 1.946 15.238 ( 1.042 -1.627 -1.377) 2.373 15.434 ( -0.318 1.514 0.326) 1.581 15.467 ( -0.654 -1.370 0.151) 1.525 17.434 ( 1.955 0.917 -0.445) 2.205 17.458 ( 2.116 -1.427 -0.680) 2.642 17.505 ( 0.684 2.156 0.993) 2.470 17.557 ( -0.819 -2.825 1.459) 3.283 18.718 ( 0.032 2.914 0.008) 2.914 18.757 ( 0.561 1.304 1.596) 2.136 18.799 ( -3.076 1.656 -4.097) 5.384 18.900 ( -3.096 -5.467 -1.547) 6.470 27.788 ( -0.513 0.849 -0.150) 1.003 27.807 ( 0.004 -0.990 0.161) 1.003 27.896 ( -0.351 1.650 -0.807) 1.869 27.930 ( -0.834 -1.614 -1.119) 2.134 29.273 ( 1.401 3.658 -1.633) 4.244 29.334 ( 1.540 -2.270 -1.613) 3.182 29.645 ( -3.843 11.428 0.687) 12.076 29.840 ( -6.737 -7.624 1.061) 10.229 30.600 ( 2.141 3.275 0.206) 3.918 30.708 ( 3.434 -6.930 -1.174) 7.823 30.987 ( 2.495 4.219 -0.647) 4.944 31.059 ( 4.881 -2.556 -1.932) 5.839 32.031 ( 12.612 6.357 0.024) 14.123 32.183 ( 6.139 -8.393 -1.500) 10.506 32.784 ( -6.083 5.121 4.554) 9.164 32.887 ( -3.144 -5.113 5.127) 7.894 ======================= Grid point 154 (87/129) ======================= q-point: ( 0.42 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.068 8.932 -7.548) 11.743 1.979 ( -1.803 4.381 -3.747) 6.040 1.985 ( -4.005 -6.557 -5.480) 9.438 2.098 ( -5.028 -6.880 -1.183) 8.603 2.202 ( 6.294 9.918 2.058) 11.925 2.354 ( 5.059 -3.786 5.186) 8.174 2.800 ( -2.333 10.514 4.240) 11.575 2.824 ( -1.656 7.311 10.958) 13.276 2.981 ( 3.852 4.046 1.106) 5.695 2.992 ( -1.816 5.916 3.433) 7.077 3.151 ( 5.136 -11.020 -0.322) 12.163 3.209 ( 0.494 0.079 -2.924) 2.966 3.343 ( 0.961 -0.574 -2.625) 2.853 3.405 ( -2.515 -2.643 -4.460) 5.762 3.727 ( -6.001 0.307 -3.269) 6.841 3.760 ( -9.640 -1.836 -3.327) 10.362 4.061 ( -0.926 -0.995 5.692) 5.852 4.134 ( -6.309 -5.919 5.352) 10.172 4.173 ( -0.214 3.134 -3.532) 4.727 4.282 ( -0.277 -6.187 -2.809) 6.801 4.618 ( 3.424 3.740 -2.860) 5.822 4.696 ( 7.409 -1.742 -7.786) 10.889 4.830 ( 1.777 2.716 -3.440) 4.729 4.882 ( -0.278 -0.681 -2.102) 2.227 5.158 ( 7.067 -1.517 -0.896) 7.283 5.239 ( 3.161 -8.648 -1.635) 9.352 5.714 ( -4.270 4.638 -10.795) 12.501 5.758 ( 0.674 -0.013 -10.202) 10.225 5.946 ( 0.219 1.046 1.483) 1.828 6.003 ( 0.270 -3.872 1.244) 4.076 6.456 ( -0.575 6.466 -2.343) 6.902 6.585 ( -1.128 -5.920 -2.381) 6.480 6.740 ( 0.813 4.525 9.570) 10.617 6.821 ( 0.292 -3.076 12.834) 13.201 7.084 ( -0.945 4.642 4.566) 6.580 7.163 ( -0.468 -2.697 3.926) 4.786 8.083 ( -0.838 0.676 1.103) 1.542 8.104 ( 0.026 -1.228 1.649) 2.056 8.484 ( -1.518 4.878 4.004) 6.491 8.573 ( -2.263 -3.749 5.742) 7.221 10.033 ( 0.193 1.394 1.247) 1.880 10.056 ( 1.280 -0.889 1.106) 1.911 10.168 ( 2.668 1.053 -1.596) 3.283 10.191 ( 1.857 -1.166 -1.545) 2.682 10.662 ( 1.452 2.376 0.257) 2.796 10.694 ( 1.960 -0.326 -0.583) 2.070 10.802 ( 0.483 0.932 1.248) 1.630 10.842 ( -0.137 -2.491 1.553) 2.938 11.542 ( -0.134 1.662 0.835) 1.865 11.581 ( -0.259 -2.062 0.407) 2.118 11.653 ( -0.728 2.715 0.173) 2.816 11.703 ( -1.818 -2.073 0.234) 2.767 14.723 ( 0.236 1.071 1.433) 1.804 14.763 ( -0.019 -2.817 0.973) 2.981 14.893 ( -1.360 3.215 0.176) 3.495 14.946 ( -1.526 -1.854 0.210) 2.411 15.232 ( 1.630 0.129 -1.094) 1.968 15.246 ( 1.246 -1.045 -0.798) 1.812 15.433 ( -0.437 1.217 0.582) 1.418 15.458 ( -0.726 -1.028 0.343) 1.305 17.453 ( 0.984 0.879 -0.404) 1.380 17.474 ( 0.667 -1.010 -0.238) 1.234 17.525 ( 0.684 0.747 -0.032) 1.013 17.553 ( -0.802 -1.677 0.220) 1.872 18.699 ( -0.799 3.003 -2.062) 3.730 18.724 ( -1.587 1.513 -2.459) 3.295 18.781 ( 0.973 0.383 0.702) 1.259 18.855 ( -1.005 -4.779 -0.576) 4.917 27.787 ( 0.201 1.085 0.561) 1.238 27.811 ( 0.032 -1.217 0.482) 1.310 27.892 ( 0.604 0.714 -0.500) 1.060 27.907 ( -0.409 -0.840 -0.948) 1.331 29.295 ( 2.341 4.212 0.282) 4.827 29.368 ( 2.974 -2.895 1.202) 4.321 29.586 ( -3.418 9.789 -0.996) 10.417 29.752 ( -5.061 -6.433 -0.272) 8.190 30.631 ( 0.899 3.258 0.988) 3.521 30.733 ( 1.191 -6.388 -0.784) 6.545 31.004 ( 1.329 4.568 -1.494) 4.986 31.083 ( 2.524 -2.830 -3.681) 5.285 32.229 ( 9.664 1.616 3.621) 10.446 32.275 ( 5.291 -2.847 2.294) 6.431 32.738 ( -5.135 6.180 2.432) 8.395 32.873 ( -4.245 -7.032 1.756) 8.400 ======================= Grid point 155 (88/129) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 6.694 6.307 -1.324) 9.292 1.917 ( 1.304 -0.214 -4.207) 4.409 1.935 ( 0.258 -2.693 -1.213) 2.964 2.000 ( -3.852 -5.977 -2.964) 7.704 2.405 ( 10.788 10.132 5.536) 15.801 2.489 ( 3.017 2.650 5.700) 6.973 2.782 ( -5.538 11.078 3.893) 12.983 2.919 ( -0.713 5.618 8.705) 10.386 2.977 ( -3.288 10.082 3.933) 11.310 3.041 ( 0.473 0.425 -0.322) 0.713 3.154 ( -0.312 2.121 -5.159) 5.587 3.215 ( -2.695 -5.830 -1.650) 6.631 3.305 ( 0.481 -5.311 0.541) 5.360 3.365 ( 6.820 -8.489 -3.619) 11.475 3.559 ( -9.176 0.127 -3.742) 9.911 3.607 ( -1.376 -3.578 -6.005) 7.124 4.044 ( -5.940 -0.504 1.577) 6.166 4.082 ( -5.128 -3.321 1.433) 6.275 4.147 ( 0.395 1.277 -1.397) 1.933 4.242 ( -0.891 -7.434 -2.459) 7.881 4.616 ( -0.906 6.588 -1.686) 6.861 4.686 ( 1.755 3.104 -5.873) 6.871 4.811 ( 1.491 -2.215 -3.908) 4.733 4.862 ( 0.409 -3.481 -2.887) 4.541 5.249 ( 1.518 -2.260 -0.048) 2.723 5.287 ( 3.468 -6.157 1.212) 7.170 5.519 ( -3.857 5.054 -9.521) 11.449 5.624 ( -2.396 -5.382 -10.720) 12.233 5.969 ( -0.200 2.188 2.305) 3.185 6.025 ( 1.022 -3.071 0.942) 3.371 6.466 ( 4.722 5.499 -1.078) 7.328 6.542 ( 0.022 -1.822 -3.286) 3.757 6.853 ( -0.573 4.486 9.196) 10.247 6.956 ( 0.065 -4.138 9.234) 10.119 7.077 ( -3.321 4.407 2.607) 6.103 7.153 ( -4.183 -2.621 2.335) 5.460 8.123 ( 3.802 2.553 1.891) 4.955 8.162 ( 4.038 -0.698 1.683) 4.430 8.513 ( -0.808 2.605 5.288) 5.949 8.580 ( -3.756 -3.547 4.476) 6.835 10.050 ( -0.446 1.601 1.765) 2.424 10.078 ( -0.419 -1.085 1.434) 1.847 10.171 ( 0.200 1.211 -1.930) 2.287 10.194 ( 0.686 -1.065 -1.834) 2.229 10.676 ( -0.418 2.702 0.639) 2.808 10.709 ( 0.671 -0.007 -0.530) 0.855 10.821 ( 0.049 -0.105 1.384) 1.389 10.843 ( -1.202 -1.910 0.923) 2.438 11.556 ( 0.519 1.666 1.099) 2.062 11.589 ( 0.516 -1.074 0.319) 1.233 11.648 ( -0.110 1.093 0.410) 1.173 11.679 ( -1.034 -1.494 -0.304) 1.842 14.748 ( 0.592 0.711 1.878) 2.094 14.776 ( 0.215 -1.913 1.087) 2.211 14.866 ( -1.690 2.385 -0.291) 2.937 14.910 ( -2.228 -1.871 -0.830) 3.026 15.247 ( 1.118 0.144 -0.511) 1.237 15.255 ( 0.929 -0.586 -0.656) 1.280 15.435 ( -0.156 0.840 0.719) 1.116 15.452 ( -0.474 -0.597 0.256) 0.804 17.456 ( -0.273 0.824 -0.035) 0.868 17.478 ( -0.236 -1.109 0.229) 1.156 17.520 ( -0.771 0.383 -0.531) 1.011 17.538 ( -0.874 -1.197 -0.675) 1.629 18.668 ( -0.411 2.266 -1.463) 2.729 18.679 ( -1.204 1.500 -1.731) 2.587 18.808 ( 1.818 -0.439 0.159) 1.877 18.846 ( 0.680 -3.482 -0.910) 3.662 27.803 ( 0.540 0.513 0.994) 1.242 27.818 ( 0.028 -0.894 0.691) 1.130 27.894 ( 0.248 0.367 -0.726) 0.851 27.902 ( 1.014 -0.453 -0.673) 1.298 29.351 ( 2.973 5.434 1.898) 6.478 29.441 ( 1.983 -1.999 2.044) 3.479 29.525 ( -1.039 6.495 -1.009) 6.654 29.668 ( -3.802 -6.189 -2.138) 7.571 30.651 ( -0.134 2.733 1.526) 3.133 30.730 ( -0.381 -4.440 -0.899) 4.546 31.003 ( 0.899 3.635 -1.793) 4.151 31.071 ( 1.652 -2.576 -3.989) 5.028 32.399 ( 4.280 -0.168 5.437) 6.922 32.410 ( 5.574 -1.229 4.963) 7.564 32.672 ( -4.358 5.368 0.820) 6.962 32.785 ( -6.459 -5.735 -1.490) 8.765 ======================= Grid point 156 (89/129) ======================= q-point: (-0.42 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -6.770 4.090 -6.182) 10.039 1.876 ( -4.139 -4.276 -2.525) 6.464 1.993 ( 11.734 2.281 -0.425) 11.961 2.054 ( 8.653 -1.691 0.465) 8.829 2.445 ( -12.776 8.454 -1.629) 15.406 2.511 ( -5.179 5.356 -1.829) 7.672 2.811 ( 1.805 3.940 5.511) 7.011 2.922 ( -7.848 -5.221 4.351) 10.382 2.986 ( -0.026 10.706 -0.746) 10.732 3.025 ( 3.232 7.355 1.558) 8.183 3.131 ( 1.788 2.143 1.432) 3.137 3.174 ( 2.374 -2.529 -2.223) 4.120 3.368 ( 1.215 -4.160 5.162) 6.740 3.415 ( -1.807 3.201 -0.880) 3.780 3.497 ( 8.831 -6.374 -2.263) 11.123 3.582 ( 5.537 -5.027 -3.218) 8.142 3.963 ( -4.748 0.734 1.315) 4.981 4.007 ( -5.388 -3.742 0.914) 6.623 4.132 ( -1.411 0.119 -0.255) 1.438 4.195 ( -2.533 -6.641 -1.114) 7.194 4.554 ( -5.516 7.102 0.706) 9.020 4.626 ( -2.885 1.593 -3.906) 5.111 4.774 ( -1.426 -3.333 -2.679) 4.508 4.827 ( -0.353 -5.570 -3.279) 6.473 5.173 ( -5.928 1.975 -4.132) 7.491 5.303 ( -2.415 -9.762 -3.051) 10.509 5.454 ( 2.834 1.796 -1.979) 3.895 5.503 ( 0.400 -3.084 -4.055) 5.110 5.994 ( 0.478 3.271 1.699) 3.717 6.054 ( 1.607 -2.515 0.323) 3.002 6.506 ( 0.243 4.035 -3.532) 5.368 6.554 ( 6.589 -0.101 -1.794) 6.830 6.926 ( -2.316 1.596 8.918) 9.352 6.967 ( -6.560 -1.586 4.912) 8.348 7.099 ( 2.273 4.151 3.193) 5.709 7.173 ( 2.466 -2.325 3.421) 4.816 8.217 ( 5.133 3.690 0.169) 6.324 8.237 ( 4.324 1.360 -0.722) 4.590 8.558 ( -3.350 -0.392 3.548) 4.895 8.595 ( 1.964 -3.723 6.010) 7.337 10.048 ( -2.222 1.166 1.390) 2.869 10.069 ( -2.587 -0.889 0.985) 2.908 10.142 ( -1.227 1.558 -1.197) 2.316 10.170 ( -0.899 -1.223 -1.899) 2.431 10.660 ( -2.454 2.991 0.591) 3.914 10.703 ( -0.879 -0.614 -0.426) 1.154 10.822 ( -1.582 0.133 1.004) 1.879 10.843 ( -0.246 -1.399 1.217) 1.870 11.580 ( 0.998 1.886 0.600) 2.217 11.601 ( 1.155 0.298 -0.376) 1.251 11.652 ( -0.454 0.210 0.384) 0.631 11.679 ( 1.480 -1.903 0.853) 2.558 14.780 ( 0.694 0.469 1.402) 1.633 14.794 ( 0.588 -0.842 0.586) 1.182 14.843 ( -1.241 0.872 1.390) 2.058 14.867 ( -1.833 -1.280 -0.454) 2.281 15.247 ( -0.261 0.593 -0.739) 0.983 15.262 ( 0.654 -0.845 -0.669) 1.260 15.442 ( -0.125 0.611 0.547) 0.830 15.451 ( 0.223 -0.303 0.242) 0.447 17.443 ( -1.640 0.873 0.367) 1.894 17.470 ( -1.316 -1.655 0.457) 2.163 17.496 ( -1.360 0.418 -0.360) 1.468 17.511 ( -1.282 -0.975 -0.492) 1.684 18.633 ( -1.637 3.004 -0.929) 3.544 18.667 ( 0.582 0.293 -0.355) 0.742 18.835 ( 1.622 -1.114 -1.161) 2.284 18.856 ( 2.477 -2.546 -1.179) 3.743 27.821 ( 0.256 -0.055 0.825) 0.866 27.826 ( 0.003 -0.547 0.517) 0.753 27.892 ( 0.550 0.824 -0.858) 1.311 27.909 ( 0.957 -0.830 -1.236) 1.770 29.399 ( -2.784 6.543 -1.872) 7.353 29.426 ( 1.546 5.187 1.356) 5.580 29.584 ( -0.925 -4.177 -2.451) 4.931 29.602 ( 4.451 -4.695 2.931) 7.103 30.657 ( -1.416 1.961 1.507) 2.850 30.704 ( -1.521 -2.078 -0.930) 2.738 30.991 ( 0.054 3.115 -1.839) 3.618 31.055 ( 1.501 -2.948 -3.178) 4.587 32.413 ( -8.741 1.807 -0.476) 8.939 32.460 ( -6.172 -2.886 1.468) 6.970 32.704 ( 2.059 0.832 2.260) 3.169 32.726 ( 6.018 -1.237 4.749) 7.765 ======================= Grid point 157 (90/129) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -10.297 9.897 -4.545) 14.988 1.793 ( -2.649 -10.848 -1.576) 11.277 2.024 ( -18.146 11.522 1.392) 21.540 2.144 ( 5.791 1.232 -3.443) 6.849 2.264 ( -9.378 -2.300 -0.978) 9.705 2.310 ( -0.800 -3.777 -5.730) 6.910 2.811 ( -5.089 1.797 1.358) 5.565 2.859 ( -3.891 3.265 2.070) 5.484 2.941 ( -2.441 7.179 -4.376) 8.755 3.130 ( 5.425 7.110 1.152) 9.017 3.137 ( -2.340 -1.654 0.653) 2.939 3.279 ( 5.157 4.358 3.287) 7.509 3.395 ( 1.285 3.184 -0.983) 3.572 3.528 ( 5.049 -1.157 6.965) 8.680 3.561 ( 6.522 -3.040 -3.476) 7.991 3.710 ( 6.835 -5.771 5.432) 10.465 3.945 ( -2.729 -2.738 1.279) 4.072 3.967 ( 1.728 -0.362 3.583) 3.995 4.097 ( -2.950 -0.388 1.095) 3.170 4.143 ( -3.390 -6.501 1.091) 7.413 4.495 ( -4.749 5.225 5.468) 8.930 4.526 ( -5.385 1.334 0.525) 5.573 4.717 ( -2.309 -1.751 -2.345) 3.728 4.775 ( -0.847 -6.855 -4.163) 8.064 5.046 ( -2.570 2.556 -4.920) 6.111 5.207 ( -1.280 -12.248 -5.436) 13.461 5.488 ( 1.627 1.506 1.190) 2.516 5.519 ( 1.779 -1.376 0.516) 2.308 6.019 ( 1.120 3.762 0.489) 3.956 6.083 ( 2.142 -2.243 -0.648) 3.169 6.485 ( 0.797 4.761 -1.343) 5.011 6.593 ( 0.899 -5.236 -1.744) 5.591 6.948 ( -0.907 6.037 4.388) 7.518 7.018 ( 1.088 -1.873 6.592) 6.939 7.176 ( 3.798 4.462 1.147) 5.970 7.259 ( 4.600 -2.877 1.408) 5.605 8.264 ( 2.552 2.330 -1.814) 3.903 8.286 ( 2.995 0.901 -1.951) 3.686 8.540 ( -2.850 5.509 2.150) 6.565 8.698 ( 2.612 -8.872 3.605) 9.927 10.006 ( -4.481 0.608 0.580) 4.559 10.015 ( -4.848 -0.198 0.362) 4.866 10.112 ( -1.622 0.879 -0.207) 1.857 10.129 ( -1.775 -0.662 -1.372) 2.339 10.617 ( -3.459 2.954 0.495) 4.576 10.670 ( -2.518 -1.807 -0.428) 3.129 10.807 ( -1.669 1.754 0.847) 2.565 10.843 ( -1.793 -1.460 1.142) 2.579 11.592 ( 0.780 1.615 -0.713) 1.930 11.616 ( 1.126 -0.677 -0.799) 1.538 11.668 ( 2.257 3.467 1.142) 4.292 11.737 ( 3.728 -2.948 1.566) 5.004 14.783 ( -0.542 0.377 -0.457) 0.803 14.799 ( 0.071 -0.985 -0.795) 1.268 14.859 ( 0.130 0.359 1.950) 1.987 14.874 ( 0.671 -1.061 3.880) 4.078 15.225 ( -0.932 1.602 -1.362) 2.300 15.257 ( -0.008 -1.451 -1.005) 1.765 15.445 ( 0.114 0.965 0.193) 0.990 15.461 ( 0.432 -0.592 0.364) 0.818 17.412 ( -2.601 0.629 0.449) 2.713 17.440 ( -2.374 -2.099 -0.342) 3.187 17.482 ( -1.094 0.617 1.643) 2.068 17.495 ( -0.769 -0.708 0.561) 1.187 18.608 ( -0.868 4.156 0.282) 4.255 18.676 ( 0.418 -2.185 0.320) 2.247 18.836 ( 1.437 1.196 -2.467) 3.095 18.892 ( 3.167 -3.632 -1.059) 4.933 27.827 ( 0.128 -0.064 -0.095) 0.171 27.833 ( 0.182 -0.612 0.576) 0.859 27.889 ( 0.419 0.797 -1.156) 1.465 27.905 ( 0.639 -0.762 -1.616) 1.898 29.313 ( -3.443 5.768 -3.134) 7.413 29.409 ( -3.540 -2.713 -2.816) 5.274 29.590 ( 4.512 6.582 0.290) 7.986 29.738 ( 5.901 -7.073 4.287) 10.160 30.629 ( -3.404 2.073 -0.074) 3.986 30.663 ( -3.046 -1.201 0.155) 3.278 30.965 ( -0.834 3.813 -1.313) 4.118 31.048 ( 1.309 -4.255 -1.964) 4.866 32.196 ( -15.162 2.179 -2.767) 15.566 32.267 ( -14.161 -4.867 -2.081) 15.118 32.848 ( 9.075 4.363 4.626) 11.081 32.926 ( 10.081 -3.347 5.173) 11.814 ======================= Grid point 158 (91/129) ======================= q-point: (-0.25 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -13.277 17.371 3.693) 22.174 1.667 ( -17.739 1.906 4.776) 18.469 1.822 ( -4.840 -4.942 1.497) 7.077 2.009 ( -11.809 -10.439 1.347) 15.819 2.175 ( -2.176 4.842 -3.448) 6.330 2.287 ( 1.280 -5.502 -4.627) 7.302 2.734 ( -6.511 5.973 1.009) 8.893 2.811 ( -5.819 1.650 -0.692) 6.087 2.866 ( -3.621 13.502 3.302) 14.363 3.057 ( -10.121 5.878 2.494) 11.967 3.200 ( 3.716 -3.641 -0.659) 5.244 3.333 ( -2.322 -7.790 -1.132) 8.207 3.392 ( 0.857 6.646 1.955) 6.980 3.577 ( 2.701 -3.986 -0.525) 4.843 3.683 ( 6.665 2.315 -2.991) 7.663 3.893 ( 0.853 -13.439 6.361) 14.893 3.964 ( 5.904 8.026 5.861) 11.559 4.064 ( 4.358 4.252 1.146) 6.196 4.107 ( 1.959 -1.783 1.342) 2.969 4.147 ( 2.145 -7.148 5.382) 9.201 4.504 ( -0.768 5.074 3.419) 6.167 4.560 ( 2.005 3.204 10.170) 10.850 4.638 ( -3.375 -1.125 -2.851) 4.559 4.720 ( 1.054 -7.785 -5.274) 9.462 4.986 ( 1.036 2.524 -4.045) 4.879 5.155 ( 0.804 -12.318 -4.034) 12.986 5.543 ( 2.010 1.238 4.246) 4.859 5.565 ( 1.575 -0.873 4.007) 4.393 6.040 ( 1.847 3.244 -1.033) 3.873 6.105 ( 2.538 -2.437 -2.185) 4.142 6.487 ( 0.336 3.696 -0.826) 3.803 6.571 ( -1.864 -3.994 -0.105) 4.409 6.983 ( 1.686 7.232 -0.858) 7.475 7.083 ( 0.429 -2.526 1.567) 3.003 7.244 ( 4.905 4.700 -1.388) 6.934 7.352 ( 6.374 -4.552 -0.803) 7.873 8.257 ( -0.531 1.570 -2.686) 3.156 8.291 ( 1.231 -1.109 -3.091) 3.507 8.502 ( -4.123 9.608 0.888) 10.493 8.720 ( -2.003 -11.500 -2.037) 11.849 9.924 ( -5.907 0.393 0.194) 5.923 9.932 ( -6.051 -0.277 0.390) 6.070 10.079 ( -1.896 1.022 -0.239) 2.167 10.096 ( -1.730 -0.524 0.752) 1.958 10.567 ( -3.462 2.620 0.586) 4.381 10.619 ( -3.104 -2.214 -0.469) 3.841 10.779 ( -3.087 1.632 0.433) 3.518 10.807 ( -3.877 -1.031 0.691) 4.071 11.598 ( 1.249 1.643 -0.860) 2.236 11.627 ( 1.415 -1.186 -0.475) 1.906 11.742 ( 5.518 5.348 0.217) 7.688 11.823 ( 5.193 -2.779 0.654) 5.927 14.772 ( 0.113 -0.182 -0.705) 0.737 14.786 ( -0.434 -1.650 -0.366) 1.745 14.897 ( 1.136 1.589 2.143) 2.900 14.931 ( 0.789 -1.802 3.527) 4.038 15.190 ( -1.069 2.732 -1.680) 3.381 15.243 ( -0.031 -2.088 -1.307) 2.464 15.448 ( 0.107 1.143 -0.210) 1.167 15.469 ( 0.117 -0.793 0.086) 0.806 17.376 ( -2.481 0.409 0.444) 2.553 17.399 ( -2.098 -1.909 -0.275) 2.850 17.499 ( -0.140 0.010 1.949) 1.954 17.501 ( -0.101 -0.308 2.988) 3.005 18.618 ( 0.423 3.875 2.336) 4.544 18.682 ( -0.240 -2.795 0.412) 2.836 18.833 ( 1.674 4.152 -2.230) 5.002 18.932 ( 3.450 -5.132 -0.956) 6.257 27.828 ( 0.748 0.374 -0.814) 1.167 27.842 ( 0.605 -0.913 -0.261) 1.126 27.882 ( 0.252 0.843 -0.659) 1.099 27.898 ( 0.427 -0.670 -0.776) 1.110 29.227 ( -3.307 4.067 -2.284) 5.718 29.300 ( -4.520 -3.051 -3.690) 6.585 29.688 ( 6.041 10.633 1.244) 12.292 29.881 ( 6.443 -8.382 3.637) 11.180 30.553 ( -5.143 2.837 -0.663) 5.911 30.600 ( -5.250 -1.712 0.153) 5.524 30.938 ( -1.237 5.039 -0.716) 5.237 31.047 ( 0.167 -5.497 -1.105) 5.610 31.888 ( -18.348 3.265 -3.323) 18.930 32.002 ( -17.269 -8.243 -0.177) 19.136 33.062 ( 12.361 4.845 2.106) 13.443 33.141 ( 11.579 -3.136 1.604) 12.103 ======================= Grid point 159 (92/129) ======================= q-point: (-0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -11.647 19.636 12.101) 25.839 1.484 ( -13.858 12.947 9.124) 21.045 1.714 ( -11.807 -12.738 2.479) 17.544 1.874 ( -8.180 -14.654 0.344) 16.786 2.113 ( -5.307 10.126 5.920) 12.874 2.289 ( 1.509 -6.840 0.245) 7.009 2.626 ( -7.499 11.864 3.539) 14.474 2.741 ( -2.240 4.245 0.682) 4.848 2.843 ( -6.389 9.248 7.545) 13.538 2.941 ( -8.074 5.973 5.103) 11.265 3.206 ( -5.408 -11.694 0.747) 12.906 3.252 ( -1.577 -13.387 2.137) 13.648 3.439 ( 3.085 6.042 -4.148) 7.952 3.602 ( 3.786 -9.962 -9.762) 14.452 3.750 ( 5.674 11.674 3.661) 13.486 3.923 ( 0.307 -2.890 3.839) 4.815 4.070 ( 1.466 5.127 -5.025) 7.327 4.145 ( 0.181 -4.103 1.575) 4.399 4.235 ( 9.225 2.228 7.891) 12.343 4.319 ( 8.869 -4.989 8.351) 13.164 4.481 ( -2.412 4.230 -4.232) 6.451 4.590 ( -0.116 -1.539 -0.618) 1.663 4.714 ( 3.764 1.073 -0.620) 3.962 4.767 ( 7.029 -1.202 10.043) 12.317 4.986 ( 3.258 0.897 -1.609) 3.743 5.128 ( 1.207 -10.478 -3.264) 11.041 5.647 ( 1.785 1.276 7.261) 7.585 5.664 ( 1.511 -0.599 8.017) 8.180 6.050 ( 2.843 2.920 -3.954) 5.678 6.115 ( 3.246 -2.509 -4.105) 5.804 6.463 ( -1.386 3.255 -2.304) 4.222 6.533 ( -2.769 -3.269 -0.290) 4.294 6.964 ( 1.024 6.487 -6.600) 9.311 7.058 ( -0.798 -2.482 -5.439) 6.032 7.288 ( 4.239 5.244 -4.847) 8.304 7.427 ( 5.181 -7.049 -3.578) 9.452 8.180 ( -4.138 3.004 -4.790) 7.006 8.239 ( -2.364 -2.520 -5.092) 6.154 8.443 ( -4.082 6.274 0.850) 7.533 8.578 ( -8.578 -7.219 -6.263) 12.842 9.839 ( -5.097 0.080 1.321) 5.266 9.843 ( -5.443 -0.210 1.106) 5.558 10.068 ( -0.659 0.936 2.283) 2.554 10.094 ( -0.700 -1.404 2.842) 3.247 10.525 ( -2.582 1.866 0.731) 3.269 10.565 ( -2.848 -1.818 -0.565) 3.426 10.717 ( -4.867 1.147 0.305) 5.010 10.744 ( -4.415 -1.340 0.345) 4.627 11.612 ( 1.512 1.996 -0.704) 2.601 11.650 ( 1.685 -1.585 -0.151) 2.318 11.829 ( 6.440 5.220 -3.025) 8.825 11.901 ( 4.796 -2.093 -1.807) 5.536 14.765 ( 0.105 0.068 -1.064) 1.071 14.785 ( 0.407 -1.867 0.221) 1.924 14.935 ( 0.829 1.812 1.563) 2.533 14.968 ( -0.064 -1.436 1.936) 2.411 15.164 ( -0.224 3.428 -0.640) 3.494 15.234 ( 0.794 -2.946 -0.984) 3.206 15.440 ( -0.386 1.158 -0.932) 1.535 15.463 ( -0.620 -0.955 -0.542) 1.262 17.347 ( -1.626 0.410 0.418) 1.728 17.370 ( -1.256 -1.836 -0.135) 2.229 17.519 ( 0.489 0.967 1.161) 1.588 17.547 ( 0.137 -2.015 3.569) 4.101 18.668 ( 0.559 1.470 2.588) 3.029 18.685 ( -0.199 -0.602 2.590) 2.666 18.849 ( 3.110 6.610 -0.978) 7.370 18.985 ( 3.938 -6.170 -0.120) 7.321 27.832 ( 1.150 0.348 -1.399) 1.844 27.838 ( 0.461 -0.161 -1.879) 1.942 27.894 ( 1.069 0.711 1.009) 1.633 27.910 ( 0.941 -0.746 1.206) 1.702 29.166 ( -2.257 2.686 -0.064) 3.509 29.209 ( -3.151 -1.506 -0.134) 3.495 29.803 ( 7.335 12.798 0.128) 14.752 30.024 ( 6.813 -9.251 2.608) 11.781 30.467 ( -4.503 2.736 0.039) 5.269 30.510 ( -5.111 -1.492 -0.406) 5.340 30.897 ( -3.380 5.063 -1.161) 6.197 30.998 ( -5.953 -4.592 -1.378) 7.644 31.579 ( -15.014 2.760 -1.673) 15.357 31.726 ( -18.673 -12.098 3.564) 22.533 33.265 ( 12.570 3.444 -2.756) 13.322 33.308 ( 10.558 -0.640 -4.512) 11.499 ======================= Grid point 160 (93/129) ======================= q-point: (-0.08 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.218 16.711 15.569) 24.273 1.429 ( -8.967 16.025 13.004) 22.502 1.594 ( -8.397 -15.580 9.511) 20.092 1.759 ( -5.812 -16.996 1.659) 18.038 2.141 ( -1.881 11.945 5.841) 13.429 2.283 ( -1.207 -4.080 -1.158) 4.410 2.617 ( -1.805 16.634 9.142) 19.067 2.770 ( -5.204 10.101 8.311) 14.077 2.868 ( 0.536 1.327 7.080) 7.223 2.913 ( -0.758 8.114 2.775) 8.609 3.166 ( -4.981 -13.762 6.911) 16.185 3.258 ( 1.837 -10.182 -1.594) 10.468 3.404 ( -0.206 2.177 -3.722) 4.317 3.529 ( 1.888 -10.090 -7.966) 12.993 3.869 ( 1.737 6.366 1.366) 6.738 3.957 ( -0.912 2.949 -7.002) 7.653 4.005 ( 0.069 2.497 1.122) 2.738 4.124 ( -3.761 -5.611 0.912) 6.816 4.348 ( -1.807 4.236 0.395) 4.623 4.418 ( -2.228 -0.886 0.016) 2.398 4.573 ( 8.638 -2.043 7.548) 11.651 4.656 ( 8.602 -8.554 5.631) 13.375 4.804 ( 6.902 11.332 0.621) 13.282 4.975 ( 6.260 -0.503 6.860) 9.300 5.052 ( 5.605 -1.585 0.213) 5.828 5.140 ( 3.093 -7.166 -0.419) 7.816 5.702 ( -5.019 2.066 4.797) 7.243 5.731 ( -4.534 -0.850 5.545) 7.213 6.051 ( 4.526 2.067 -6.428) 8.129 6.114 ( 3.042 -2.799 -5.926) 7.226 6.398 ( -2.216 3.578 -3.238) 5.310 6.474 ( -3.304 -3.892 -1.278) 5.263 6.869 ( -0.269 5.691 -10.952) 12.346 6.951 ( -1.075 -3.128 -9.534) 10.092 7.251 ( 1.107 6.266 -9.742) 11.636 7.386 ( -2.456 -6.479 -9.287) 11.587 8.067 ( -1.217 1.999 -3.927) 4.572 8.109 ( -4.064 -2.002 -5.540) 7.156 8.375 ( -4.397 3.323 -0.952) 5.593 8.418 ( -3.925 -0.792 -1.583) 4.306 9.801 ( -2.274 0.853 3.173) 3.996 9.815 ( -1.448 -0.363 3.636) 3.931 10.101 ( 0.198 0.275 3.631) 3.647 10.143 ( 0.799 -3.780 5.070) 6.374 10.504 ( -1.381 0.551 0.947) 1.763 10.522 ( -1.179 -0.850 -0.545) 1.552 10.645 ( -4.296 1.199 0.415) 4.479 10.681 ( -3.629 -2.186 0.113) 4.238 11.627 ( 1.114 2.422 -0.521) 2.716 11.672 ( 1.041 -1.600 -0.023) 1.909 11.855 ( 3.130 3.818 -6.149) 7.885 11.920 ( 2.034 -2.292 -4.890) 5.771 14.759 ( 0.290 1.439 -0.283) 1.495 14.796 ( 0.698 -2.165 -0.284) 2.293 14.953 ( -0.552 1.291 1.064) 1.762 14.973 ( -1.118 -0.502 0.792) 1.460 15.177 ( 1.326 3.418 1.192) 3.855 15.249 ( 1.820 -2.943 -0.207) 3.467 15.418 ( -0.571 0.800 -1.234) 1.577 15.440 ( -0.868 -1.036 -1.113) 1.751 17.335 ( -0.451 0.437 0.475) 0.788 17.357 ( -0.222 -1.721 -0.011) 1.735 17.531 ( -0.185 1.005 0.291) 1.062 17.560 ( -2.097 -2.078 1.101) 3.151 18.668 ( -1.370 3.249 1.085) 3.689 18.726 ( -0.427 -2.733 2.158) 3.508 18.925 ( 5.219 5.935 1.894) 8.127 19.047 ( 3.088 -5.590 0.413) 6.399 27.822 ( 0.164 0.499 -1.466) 1.557 27.833 ( 0.672 -0.627 -0.914) 1.297 27.928 ( 1.204 0.818 1.094) 1.821 27.945 ( 1.418 -0.754 1.087) 1.939 29.166 ( 0.539 3.445 2.992) 4.594 29.225 ( 1.885 -2.323 4.674) 5.550 29.923 ( 9.144 12.430 -2.068) 15.569 30.130 ( 3.306 -8.312 -0.048) 8.945 30.434 ( -0.658 2.205 1.393) 2.690 30.467 ( 2.194 -1.068 -0.153) 2.444 30.764 ( -12.078 2.304 -1.658) 12.407 30.823 ( -12.040 -2.527 -1.216) 12.362 31.405 ( -8.228 0.576 3.317) 8.890 31.538 ( -9.470 -11.499 4.922) 15.688 33.348 ( 4.548 4.259 -8.845) 10.820 33.377 ( 7.617 1.292 -8.160) 11.237 ======================= Grid point 185 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -5.441 0.000 18.381) 19.169 1.613 ( 3.396 0.000 12.886) 13.326 1.932 ( 3.010 0.000 -0.413) 3.038 2.115 ( 1.616 0.000 9.281) 9.421 2.185 ( 4.207 0.000 -16.143) 16.682 2.228 ( 0.426 0.000 0.137) 0.447 2.435 ( -2.023 0.000 -1.764) 2.685 2.533 ( -9.082 0.000 -3.182) 9.623 2.624 ( -3.189 0.000 11.709) 12.136 2.853 ( -0.358 0.000 -9.468) 9.474 3.215 ( 3.212 0.000 17.160) 17.458 3.444 ( -2.157 0.000 1.522) 2.640 3.475 ( 3.818 0.000 0.665) 3.875 3.543 ( 6.022 0.000 -12.042) 13.464 3.547 ( 1.084 0.000 4.366) 4.498 3.685 ( -6.233 0.000 -7.109) 9.455 4.285 ( -5.457 0.000 9.031) 10.552 4.377 ( 1.701 0.000 -1.344) 2.167 4.562 ( 5.812 0.000 6.006) 8.358 4.639 ( 4.985 0.000 -1.111) 5.107 4.802 ( -18.775 0.000 1.868) 18.867 4.870 ( 6.700 0.000 -3.892) 7.749 4.975 ( 2.396 0.000 5.234) 5.756 4.999 ( -3.095 0.000 1.422) 3.406 5.115 ( -2.640 0.000 4.146) 4.915 5.199 ( 3.655 0.000 -4.437) 5.749 5.607 ( 10.637 0.000 0.229) 10.639 5.624 ( -8.250 0.000 -2.154) 8.527 5.976 ( -1.151 0.000 -1.662) 2.022 6.016 ( -1.587 0.000 -5.018) 5.263 6.375 ( 8.365 0.000 0.416) 8.375 6.393 ( -5.217 0.000 1.165) 5.346 6.489 ( 2.323 0.000 5.279) 5.768 6.675 ( -4.381 0.000 -11.769) 12.558 6.920 ( 1.859 0.000 -0.302) 1.884 7.003 ( -4.399 0.000 -7.900) 9.042 8.014 ( -1.698 0.000 0.438) 1.754 8.034 ( 2.354 0.000 -1.484) 2.783 8.286 ( 3.654 0.000 2.512) 4.434 8.348 ( -2.008 0.000 -3.232) 3.805 9.807 ( 0.038 0.000 1.197) 1.198 9.820 ( -0.243 0.000 -0.128) 0.275 10.336 ( 1.434 0.000 2.486) 2.870 10.339 ( -0.625 0.000 1.021) 1.197 10.527 ( -0.369 0.000 3.351) 3.371 10.607 ( 0.821 0.000 -2.388) 2.525 10.666 ( -2.881 0.000 -1.553) 3.273 10.673 ( 1.289 0.000 -0.890) 1.566 11.541 ( -0.096 0.000 0.736) 0.742 11.559 ( 0.185 0.000 -0.986) 1.003 11.849 ( 0.771 0.000 0.202) 0.797 11.864 ( -1.216 0.000 -1.389) 1.846 14.783 ( 1.467 0.000 2.068) 2.536 14.823 ( -1.206 0.000 -2.050) 2.379 14.924 ( 0.830 0.000 0.354) 0.903 14.929 ( -1.312 0.000 -0.073) 1.314 15.207 ( 0.602 0.000 0.481) 0.771 15.210 ( -0.076 0.000 0.166) 0.182 15.452 ( 0.211 0.000 0.399) 0.452 15.456 ( -0.698 0.000 0.052) 0.700 17.367 ( 0.111 0.000 1.106) 1.112 17.390 ( 0.283 0.000 -1.227) 1.259 17.534 ( 2.969 0.000 0.209) 2.976 17.537 ( -5.438 0.000 0.006) 5.438 18.580 ( -0.459 0.000 3.840) 3.868 18.656 ( -0.560 0.000 -3.889) 3.929 19.109 ( 3.124 0.000 1.776) 3.594 19.142 ( -1.378 0.000 -1.525) 2.055 27.793 ( 0.285 0.000 0.500) 0.576 27.814 ( -0.027 0.000 -1.592) 1.593 27.969 ( -1.214 0.000 1.215) 1.717 27.988 ( 1.412 0.000 -0.723) 1.586 29.152 ( 0.447 0.000 3.270) 3.301 29.224 ( -0.476 0.000 -4.010) 4.038 30.056 ( 24.423 0.000 3.385) 24.657 30.125 ( -16.898 0.000 -3.591) 17.275 30.425 ( 4.723 0.000 3.494) 5.875 30.493 ( -5.427 0.000 -3.415) 6.412 30.658 ( 6.978 0.000 -0.243) 6.982 30.661 ( -5.217 0.000 -0.652) 5.257 31.796 ( 17.598 0.000 3.250) 17.896 31.862 ( -25.328 0.000 -3.425) 25.559 32.817 ( 0.205 0.000 12.083) 12.085 33.050 ( 0.146 0.000 -11.772) 11.773 ======================= Grid point 186 (95/129) ======================= q-point: ( 0.08 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.313 0.000 6.373) 6.780 1.786 ( 14.769 0.000 -10.607) 18.183 1.941 ( -6.749 0.000 7.944) 10.424 2.034 ( 2.537 0.000 -16.424) 16.618 2.244 ( 7.363 0.000 -4.517) 8.638 2.267 ( 6.173 0.000 3.198) 6.952 2.414 ( -2.428 0.000 2.571) 3.536 2.566 ( 6.153 0.000 13.334) 14.685 2.730 ( -3.493 0.000 15.459) 15.849 2.740 ( -0.118 0.000 -7.985) 7.986 3.337 ( -6.364 0.000 -18.965) 20.004 3.357 ( -2.427 0.000 4.906) 5.474 3.415 ( -3.271 0.000 0.796) 3.367 3.517 ( 3.433 0.000 1.067) 3.595 3.649 ( 10.607 0.000 -9.693) 14.368 3.737 ( 7.706 0.000 10.406) 12.949 4.254 ( -10.365 0.000 4.940) 11.482 4.315 ( -12.866 0.000 -1.810) 12.992 4.413 ( -15.038 0.000 2.119) 15.187 4.470 ( -4.522 0.000 -7.859) 9.067 4.753 ( -4.729 0.000 10.589) 11.597 4.984 ( -0.306 0.000 -1.781) 1.807 5.036 ( -0.625 0.000 1.119) 1.282 5.113 ( 14.163 0.000 -1.663) 14.260 5.157 ( 2.957 0.000 1.715) 3.418 5.218 ( 6.481 0.000 -0.852) 6.537 5.447 ( -9.016 0.000 -2.640) 9.395 5.726 ( 3.872 0.000 -1.740) 4.245 5.985 ( 1.163 0.000 -1.277) 1.727 6.007 ( 2.744 0.000 6.117) 6.704 6.241 ( -8.076 0.000 -0.013) 8.076 6.452 ( -1.794 0.000 -9.665) 9.830 6.554 ( 5.430 0.000 -0.224) 5.434 6.677 ( 6.478 0.000 9.204) 11.255 6.894 ( -2.788 0.000 -2.223) 3.566 7.007 ( 4.307 0.000 7.835) 8.941 8.012 ( 0.621 0.000 -0.126) 0.634 8.073 ( 4.369 0.000 -1.388) 4.584 8.298 ( 1.398 0.000 -2.764) 3.098 8.375 ( 3.790 0.000 1.220) 3.982 9.829 ( 1.910 0.000 -0.452) 1.963 9.837 ( 2.359 0.000 0.653) 2.448 10.315 ( -2.514 0.000 -1.233) 2.800 10.350 ( -1.059 0.000 -0.372) 1.122 10.553 ( -1.717 0.000 3.529) 3.925 10.557 ( -1.455 0.000 -3.679) 3.957 10.652 ( 0.921 0.000 1.823) 2.043 10.702 ( 2.662 0.000 0.040) 2.662 11.545 ( -0.535 0.000 0.805) 0.966 11.548 ( -0.100 0.000 -0.911) 0.916 11.820 ( -2.982 0.000 -0.704) 3.064 11.856 ( -0.845 0.000 1.537) 1.754 14.769 ( -1.968 0.000 -1.961) 2.778 14.808 ( -1.010 0.000 1.895) 2.147 14.903 ( -1.915 0.000 0.144) 1.920 14.936 ( -0.215 0.000 0.557) 0.597 15.214 ( 0.649 0.000 -0.595) 0.880 15.226 ( 1.658 0.000 -0.384) 1.702 15.454 ( 0.349 0.000 0.002) 0.349 15.467 ( 0.689 0.000 0.665) 0.958 17.382 ( 0.333 0.000 0.777) 0.845 17.384 ( 0.949 0.000 -1.352) 1.652 17.476 ( -3.262 0.000 1.316) 3.517 17.595 ( 2.837 0.000 2.217) 3.600 18.613 ( 0.097 0.000 -3.049) 3.050 18.627 ( 0.235 0.000 4.680) 4.685 19.075 ( -3.603 0.000 -3.299) 4.885 19.146 ( 0.127 0.000 0.507) 0.523 27.798 ( 0.121 0.000 -1.133) 1.140 27.806 ( 0.157 0.000 0.857) 0.871 27.954 ( -2.034 0.000 0.576) 2.114 27.994 ( 0.739 0.000 -1.033) 1.270 29.182 ( 0.575 0.000 -3.516) 3.562 29.207 ( 1.411 0.000 3.648) 3.911 29.778 ( -16.388 0.000 -8.300) 18.370 30.365 ( 10.892 0.000 0.121) 10.892 30.433 ( 1.877 0.000 -3.286) 3.785 30.538 ( -4.117 0.000 -2.866) 5.017 30.654 ( 15.242 0.000 3.954) 15.747 30.749 ( 5.529 0.000 -1.255) 5.669 31.536 ( -14.015 0.000 1.242) 14.070 32.182 ( 20.855 0.000 9.465) 22.902 32.873 ( -5.072 0.000 -11.877) 12.915 32.914 ( -4.588 0.000 11.269) 12.167 ======================= Grid point 187 (96/129) ======================= q-point: ( 0.17 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 5.915 0.000 -13.600) 14.830 1.749 ( 8.298 0.000 -24.124) 25.511 1.985 ( 3.100 0.000 0.274) 3.112 2.031 ( 0.649 0.000 10.378) 10.399 2.332 ( 10.590 0.000 -6.752) 12.559 2.365 ( 9.277 0.000 -2.495) 9.607 2.520 ( 2.629 0.000 10.053) 10.391 2.614 ( -0.166 0.000 -4.239) 4.242 2.822 ( -4.958 0.000 10.864) 11.942 2.876 ( 8.323 0.000 8.222) 11.699 3.030 ( -6.144 0.000 -13.737) 15.048 3.293 ( -7.866 0.000 2.645) 8.299 3.395 ( -0.254 0.000 2.697) 2.709 3.633 ( 3.245 0.000 3.473) 4.753 3.735 ( 13.990 0.000 -10.733) 17.633 3.840 ( -5.965 0.000 -5.251) 7.946 4.041 ( -8.718 0.000 4.995) 10.047 4.083 ( -12.914 0.000 4.546) 13.691 4.350 ( -3.629 0.000 8.507) 9.249 4.401 ( 3.705 0.000 -9.787) 10.465 4.730 ( -6.319 0.000 1.203) 6.433 4.935 ( -0.005 0.000 -5.180) 5.180 5.029 ( -2.514 0.000 1.803) 3.094 5.055 ( -5.738 0.000 -7.230) 9.230 5.182 ( -0.690 0.000 -0.524) 0.866 5.336 ( -0.758 0.000 -3.460) 3.542 5.444 ( 11.433 0.000 -0.238) 11.436 5.720 ( -2.600 0.000 0.856) 2.737 5.977 ( -0.746 0.000 0.205) 0.774 6.138 ( 2.669 0.000 4.882) 5.564 6.252 ( 1.557 0.000 12.036) 12.136 6.306 ( -0.612 0.000 -8.007) 8.031 6.625 ( 2.226 0.000 -0.443) 2.269 6.854 ( -3.114 0.000 4.617) 5.569 6.872 ( 5.536 0.000 6.906) 8.851 7.207 ( 2.691 0.000 13.794) 14.054 8.017 ( 1.754 0.000 -1.523) 2.323 8.128 ( 3.799 0.000 -1.277) 4.008 8.368 ( 7.467 0.000 2.715) 7.945 8.414 ( 0.235 0.000 -0.216) 0.320 9.874 ( 4.098 0.000 -0.251) 4.105 9.896 ( 4.597 0.000 -0.240) 4.603 10.243 ( -2.531 0.000 -2.880) 3.834 10.284 ( -6.211 0.000 -1.683) 6.435 10.530 ( 0.828 0.000 -0.408) 0.922 10.555 ( -0.704 0.000 1.112) 1.316 10.700 ( 2.460 0.000 1.121) 2.704 10.757 ( 3.967 0.000 0.352) 3.983 11.538 ( 0.034 0.000 -0.617) 0.618 11.543 ( -0.885 0.000 0.830) 1.214 11.755 ( -3.814 0.000 -0.720) 3.881 11.856 ( -1.906 0.000 2.175) 2.892 14.740 ( 0.166 0.000 -0.290) 0.334 14.804 ( -1.806 0.000 1.736) 2.505 14.879 ( -1.162 0.000 0.671) 1.341 14.929 ( -1.272 0.000 0.507) 1.369 15.215 ( 0.789 0.000 -1.161) 1.404 15.247 ( 1.796 0.000 -1.254) 2.190 15.461 ( 0.232 0.000 0.088) 0.249 15.482 ( 0.237 0.000 0.537) 0.587 17.394 ( 0.343 0.000 0.476) 0.586 17.395 ( 2.299 0.000 -1.150) 2.571 17.455 ( -1.302 0.000 1.240) 1.798 17.663 ( 1.004 0.000 3.567) 3.705 18.591 ( 0.655 0.000 -2.164) 2.261 18.683 ( 0.174 0.000 4.173) 4.177 18.957 ( -4.481 0.000 -5.509) 7.101 19.127 ( -2.342 0.000 -0.602) 2.418 27.796 ( 0.694 0.000 -0.365) 0.784 27.810 ( -0.710 0.000 0.418) 0.824 27.914 ( -2.869 0.000 -0.519) 2.915 27.989 ( 0.219 0.000 -1.328) 1.346 29.161 ( 1.114 0.000 -2.732) 2.950 29.270 ( 1.306 0.000 3.246) 3.499 29.473 ( -8.249 0.000 -8.835) 12.087 30.327 ( -11.096 0.000 0.134) 11.097 30.455 ( 4.825 0.000 -3.250) 5.818 30.576 ( 11.294 0.000 -3.873) 11.939 30.818 ( 5.459 0.000 -1.677) 5.711 30.946 ( 11.379 0.000 4.973) 12.418 31.447 ( 1.832 0.000 1.482) 2.356 32.618 ( 14.976 0.000 13.399) 20.095 32.645 ( -7.147 0.000 -10.168) 12.429 32.933 ( -6.459 0.000 9.316) 11.336 ======================= Grid point 188 (97/129) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.601 0.000 -16.357) 18.480 1.565 ( 4.142 0.000 -22.764) 23.138 2.036 ( -1.853 0.000 3.548) 4.002 2.097 ( -2.536 0.000 4.298) 4.990 2.407 ( 3.900 0.000 -1.553) 4.198 2.526 ( 10.271 0.000 -2.299) 10.525 2.608 ( 2.950 0.000 -9.045) 9.514 2.649 ( 0.317 0.000 8.988) 8.993 2.811 ( -2.267 0.000 0.657) 2.360 2.866 ( 8.171 0.000 -6.699) 10.566 3.074 ( 2.698 0.000 7.572) 8.039 3.209 ( -14.689 0.000 7.916) 16.686 3.397 ( -11.908 0.000 -6.814) 13.720 3.451 ( -1.148 0.000 6.102) 6.209 3.827 ( 7.181 0.000 -6.334) 9.576 3.871 ( 3.786 0.000 3.097) 4.891 3.998 ( -0.750 0.000 2.230) 2.352 4.067 ( 1.588 0.000 4.104) 4.400 4.323 ( 2.530 0.000 -13.015) 13.259 4.452 ( 2.377 0.000 9.192) 9.494 4.614 ( -2.949 0.000 -6.104) 6.779 4.835 ( -4.689 0.000 -7.589) 8.921 4.936 ( -9.255 0.000 -3.036) 9.740 4.938 ( 0.377 0.000 -2.915) 2.940 5.183 ( 3.945 0.000 -1.125) 4.102 5.298 ( 1.393 0.000 -5.059) 5.247 5.525 ( 4.152 0.000 -4.599) 6.196 5.672 ( -5.151 0.000 1.121) 5.271 5.999 ( -0.410 0.000 4.432) 4.451 6.137 ( -1.671 0.000 -1.086) 1.993 6.319 ( 3.501 0.000 1.390) 3.767 6.463 ( 6.144 0.000 8.736) 10.680 6.628 ( 0.313 0.000 -1.170) 1.211 6.896 ( -2.988 0.000 13.078) 13.415 7.015 ( 4.026 0.000 4.037) 5.701 7.303 ( -7.159 0.000 8.095) 10.807 8.066 ( 3.361 0.000 2.623) 4.263 8.153 ( 0.454 0.000 -0.524) 0.693 8.390 ( -1.797 0.000 -0.609) 1.898 8.564 ( 7.249 0.000 8.953) 11.519 9.948 ( 5.022 0.000 0.026) 5.022 9.975 ( 6.128 0.000 -1.166) 6.238 10.138 ( -7.426 0.000 -2.442) 7.817 10.193 ( -0.020 0.000 -2.434) 2.434 10.557 ( 1.908 0.000 0.632) 2.010 10.570 ( 2.080 0.000 -0.516) 2.144 10.748 ( 2.372 0.000 0.599) 2.446 10.830 ( 4.051 0.000 0.719) 4.115 11.537 ( 0.427 0.000 -0.264) 0.502 11.538 ( -0.875 0.000 0.933) 1.279 11.693 ( -2.705 0.000 -0.743) 2.805 11.839 ( -3.111 0.000 1.803) 3.595 14.752 ( -0.087 0.000 1.252) 1.255 14.796 ( -1.399 0.000 1.539) 2.080 14.900 ( 1.869 0.000 2.313) 2.974 14.909 ( -1.523 0.000 -0.141) 1.530 15.217 ( 1.003 0.000 -0.867) 1.326 15.248 ( 0.872 0.000 -2.600) 2.742 15.460 ( -0.603 0.000 0.185) 0.631 15.486 ( -0.301 0.000 0.296) 0.422 17.407 ( 0.638 0.000 0.588) 0.868 17.431 ( 3.455 0.000 -0.891) 3.568 17.458 ( 0.187 0.000 0.794) 0.815 17.686 ( -2.178 0.000 1.531) 2.663 18.579 ( 0.698 0.000 -2.083) 2.197 18.715 ( -0.605 0.000 1.990) 2.080 18.839 ( -2.040 0.000 -4.740) 5.160 19.066 ( -3.640 0.000 -1.185) 3.828 27.788 ( -1.726 0.000 -0.466) 1.787 27.813 ( 1.365 0.000 0.328) 1.403 27.871 ( -1.603 0.000 -0.131) 1.608 27.970 ( -0.471 0.000 -1.736) 1.799 29.154 ( 1.204 0.000 -1.812) 2.175 29.313 ( 0.252 0.000 1.831) 1.849 29.340 ( 0.355 0.000 -4.022) 4.037 30.148 ( -10.582 0.000 -0.053) 10.582 30.501 ( 4.990 0.000 -2.769) 5.707 30.698 ( 8.080 0.000 -2.958) 8.604 30.888 ( 5.760 0.000 -1.932) 6.075 31.076 ( -0.363 0.000 4.003) 4.019 31.639 ( 17.160 0.000 2.831) 17.392 32.447 ( -5.164 0.000 -6.437) 8.252 32.807 ( -6.741 0.000 7.836) 10.336 33.024 ( 4.285 0.000 9.535) 10.453 ======================= Grid point 189 (98/129) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 10.529 0.000 -6.985) 12.636 1.569 ( 11.831 0.000 -9.611) 15.243 1.996 ( -5.536 0.000 1.150) 5.654 2.079 ( -4.405 0.000 3.650) 5.721 2.404 ( -2.941 0.000 -1.509) 3.305 2.468 ( -4.912 0.000 -7.240) 8.749 2.536 ( -1.557 0.000 -4.006) 4.298 2.642 ( -7.826 0.000 -5.343) 9.476 2.874 ( 4.571 0.000 5.117) 6.861 2.994 ( -8.849 0.000 5.208) 10.268 3.029 ( 6.986 0.000 1.834) 7.223 3.181 ( 7.876 0.000 -1.642) 8.045 3.389 ( 2.626 0.000 5.873) 6.433 3.467 ( -3.442 0.000 4.835) 5.935 3.780 ( -5.309 0.000 -1.445) 5.502 3.857 ( -4.671 0.000 -1.822) 5.014 4.121 ( 11.899 0.000 -1.508) 11.994 4.169 ( 2.032 0.000 -0.301) 2.054 4.228 ( 5.702 0.000 -8.131) 9.931 4.470 ( -3.193 0.000 -2.374) 3.979 4.623 ( 6.066 0.000 -4.426) 7.509 4.691 ( -3.213 0.000 -5.835) 6.661 4.716 ( -10.110 0.000 -1.610) 10.238 4.914 ( -0.962 0.000 -2.201) 2.402 5.275 ( 1.835 0.000 -3.195) 3.684 5.296 ( 10.753 0.000 -0.626) 10.771 5.526 ( 2.203 0.000 -3.228) 3.908 5.579 ( -4.307 0.000 -3.384) 5.477 6.039 ( -1.091 0.000 4.321) 4.457 6.127 ( -2.061 0.000 3.693) 4.229 6.351 ( -0.948 0.000 -1.218) 1.543 6.567 ( 1.156 0.000 -0.501) 1.260 6.665 ( 5.183 0.000 2.404) 5.714 7.012 ( -3.631 0.000 11.310) 11.879 7.108 ( 4.072 0.000 3.720) 5.516 7.205 ( -9.876 0.000 1.849) 10.048 8.134 ( -0.676 0.000 4.005) 4.062 8.138 ( -2.435 0.000 1.036) 2.646 8.378 ( 0.589 0.000 1.692) 1.791 8.741 ( 0.390 0.000 9.694) 9.702 10.010 ( 1.360 0.000 -0.819) 1.587 10.051 ( -0.057 0.000 0.759) 0.761 10.054 ( 5.549 0.000 -1.960) 5.885 10.180 ( 1.290 0.000 -2.091) 2.458 10.595 ( 1.577 0.000 0.810) 1.773 10.601 ( 2.748 0.000 -1.052) 2.942 10.790 ( 2.160 0.000 0.555) 2.230 10.891 ( 2.443 0.000 0.541) 2.502 11.537 ( -0.633 0.000 1.091) 1.262 11.544 ( 0.639 0.000 -0.169) 0.661 11.657 ( -0.887 0.000 -0.472) 1.005 11.799 ( -3.723 0.000 1.071) 3.874 14.761 ( -0.496 0.000 1.486) 1.566 14.796 ( -0.622 0.000 1.530) 1.652 14.877 ( -1.531 0.000 -1.071) 1.869 14.966 ( 1.475 0.000 2.923) 3.274 15.220 ( 0.666 0.000 -3.725) 3.784 15.230 ( 1.227 0.000 0.069) 1.229 15.448 ( -0.955 0.000 0.117) 0.963 15.481 ( -0.641 0.000 0.239) 0.684 17.429 ( 0.856 0.000 0.975) 1.298 17.472 ( 0.834 0.000 1.181) 1.446 17.483 ( 3.813 0.000 -1.679) 4.166 17.633 ( -3.412 0.000 -1.932) 3.921 18.563 ( 0.591 0.000 -2.378) 2.451 18.716 ( -1.242 0.000 0.932) 1.552 18.793 ( 0.597 0.000 -1.773) 1.871 18.997 ( -3.224 0.000 -0.938) 3.358 27.770 ( -0.339 0.000 0.961) 1.020 27.844 ( 1.795 0.000 0.540) 1.875 27.856 ( -0.760 0.000 0.600) 0.968 27.936 ( -0.996 0.000 -1.979) 2.215 29.161 ( 1.477 0.000 -0.813) 1.686 29.316 ( -1.127 0.000 0.010) 1.127 29.370 ( 4.475 0.000 1.377) 4.682 29.998 ( -8.438 0.000 0.319) 8.444 30.549 ( 4.265 0.000 -1.832) 4.642 30.759 ( 3.263 0.000 -2.304) 3.995 30.952 ( 5.075 0.000 -2.210) 5.535 31.073 ( -2.710 0.000 0.983) 2.883 31.980 ( 18.572 0.000 5.008) 19.235 32.359 ( -0.206 0.000 -1.157) 1.175 32.741 ( -8.344 0.000 4.056) 9.277 33.118 ( -2.343 0.000 3.060) 3.854 ======================= Grid point 190 (99/129) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 11.281 0.000 -2.665) 11.592 1.735 ( 15.614 0.000 8.872) 17.958 1.929 ( -3.107 0.000 1.018) 3.269 2.040 ( -4.444 0.000 0.811) 4.517 2.241 ( -9.179 0.000 -6.417) 11.199 2.386 ( -2.713 0.000 1.813) 3.263 2.405 ( -2.857 0.000 -5.081) 5.829 2.547 ( 2.567 0.000 -6.849) 7.315 2.879 ( -7.428 0.000 7.375) 10.468 3.044 ( -5.250 0.000 1.693) 5.516 3.073 ( 3.058 0.000 5.244) 6.071 3.242 ( 3.912 0.000 -7.470) 8.433 3.492 ( 1.874 0.000 2.683) 3.273 3.510 ( 3.113 0.000 3.383) 4.598 3.675 ( -4.156 0.000 -2.274) 4.737 3.738 ( -4.758 0.000 -3.216) 5.743 4.102 ( 0.314 0.000 -6.388) 6.396 4.223 ( 0.142 0.000 -2.856) 2.859 4.326 ( 6.948 0.000 -0.652) 6.979 4.425 ( 2.672 0.000 -3.677) 4.546 4.481 ( -6.804 0.000 -0.581) 6.829 4.600 ( -2.664 0.000 -2.720) 3.807 4.768 ( 8.448 0.000 -2.002) 8.682 4.863 ( -3.332 0.000 0.072) 3.333 5.284 ( 2.395 0.000 -1.362) 2.756 5.402 ( -2.235 0.000 -0.444) 2.278 5.532 ( 1.401 0.000 -0.779) 1.603 5.548 ( 11.462 0.000 -6.101) 12.985 6.057 ( -2.309 0.000 3.396) 4.107 6.118 ( -2.682 0.000 0.267) 2.695 6.292 ( -4.602 0.000 2.007) 5.021 6.511 ( -4.034 0.000 -4.054) 5.719 6.840 ( 9.774 0.000 5.391) 11.162 7.021 ( -3.044 0.000 3.152) 4.382 7.082 ( -6.160 0.000 0.610) 6.190 7.196 ( 0.221 0.000 2.117) 2.128 8.103 ( -2.052 0.000 0.074) 2.054 8.127 ( -4.168 0.000 2.222) 4.723 8.469 ( 4.940 0.000 6.250) 7.967 8.783 ( -4.915 0.000 4.867) 6.917 10.021 ( 0.613 0.000 1.729) 1.835 10.093 ( 1.689 0.000 1.335) 2.153 10.098 ( 2.919 0.000 -2.468) 3.823 10.180 ( 1.402 0.000 -2.080) 2.508 10.620 ( 0.380 0.000 0.769) 0.858 10.628 ( 2.123 0.000 -1.190) 2.434 10.832 ( 2.046 0.000 0.908) 2.239 10.913 ( 0.030 0.000 -0.140) 0.144 11.540 ( -0.577 0.000 1.020) 1.172 11.550 ( 0.537 0.000 -0.367) 0.651 11.657 ( 1.071 0.000 0.206) 1.091 11.750 ( -3.383 0.000 0.397) 3.406 14.771 ( -0.215 0.000 1.279) 1.297 14.810 ( 0.018 0.000 1.395) 1.396 14.843 ( -1.012 0.000 -0.710) 1.236 14.978 ( -1.976 0.000 -0.373) 2.011 15.211 ( 2.417 0.000 -1.775) 2.999 15.250 ( 0.529 0.000 0.394) 0.660 15.438 ( -0.257 0.000 0.151) 0.298 15.470 ( -1.049 0.000 0.145) 1.058 17.452 ( 0.271 0.000 1.320) 1.348 17.493 ( 0.236 0.000 1.050) 1.076 17.518 ( 3.120 0.000 -2.342) 3.901 17.564 ( -1.816 0.000 -1.978) 2.685 18.555 ( 1.419 0.000 -1.438) 2.020 18.679 ( -3.429 0.000 -0.793) 3.519 18.818 ( 2.472 0.000 0.918) 2.637 18.946 ( -2.018 0.000 -0.937) 2.225 27.795 ( 0.821 0.000 2.028) 2.188 27.857 ( -0.419 0.000 1.251) 1.320 27.875 ( 1.471 0.000 -0.072) 1.473 27.898 ( -0.824 0.000 -1.787) 1.968 29.182 ( 1.856 0.000 -0.020) 1.857 29.283 ( -2.035 0.000 -1.052) 2.291 29.493 ( 6.095 0.000 4.849) 7.789 29.877 ( -6.917 0.000 -0.742) 6.956 30.598 ( 3.510 0.000 -0.501) 3.546 30.752 ( -0.414 0.000 -2.676) 2.708 30.998 ( 4.087 0.000 -2.490) 4.786 31.029 ( -3.040 0.000 0.116) 3.042 32.305 ( 14.082 0.000 3.885) 14.608 32.420 ( 5.759 0.000 5.422) 7.910 32.642 ( -7.906 0.000 1.441) 8.036 33.030 ( -7.676 0.000 -3.397) 8.394 ======================= Grid point 191 (100/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 5.830 0.000 3.623) 6.864 1.914 ( -10.571 0.000 -2.797) 10.935 1.948 ( 2.888 0.000 3.125) 4.255 2.024 ( -2.764 0.000 0.271) 2.777 2.116 ( 11.153 0.000 4.327) 11.963 2.342 ( 0.735 0.000 -12.372) 12.394 2.385 ( -2.765 0.000 4.312) 5.122 2.503 ( 4.803 0.000 -7.508) 8.912 2.900 ( -2.880 0.000 11.971) 12.313 2.977 ( -3.957 0.000 2.226) 4.541 3.117 ( -1.330 0.000 -0.440) 1.401 3.185 ( 0.992 0.000 -7.096) 7.165 3.477 ( -3.826 0.000 2.729) 4.700 3.563 ( 2.359 0.000 -2.995) 3.812 3.640 ( 0.359 0.000 1.783) 1.819 3.690 ( 0.900 0.000 -2.335) 2.503 4.082 ( 2.706 0.000 -0.800) 2.821 4.104 ( -6.921 0.000 -2.495) 7.357 4.367 ( -6.891 0.000 2.894) 7.474 4.400 ( 3.339 0.000 -1.654) 3.726 4.513 ( 5.201 0.000 -0.787) 5.261 4.523 ( -5.445 0.000 0.100) 5.446 4.821 ( -2.551 0.000 0.769) 2.665 4.863 ( 6.887 0.000 -3.850) 7.890 5.323 ( 4.194 0.000 -0.854) 4.280 5.329 ( -3.133 0.000 -1.331) 3.404 5.539 ( -2.937 0.000 2.634) 3.945 5.633 ( 4.256 0.000 -6.832) 8.049 6.041 ( -3.389 0.000 2.783) 4.385 6.084 ( 1.074 0.000 -1.355) 1.729 6.296 ( 0.190 0.000 5.867) 5.870 6.402 ( -1.557 0.000 -4.650) 4.904 7.015 ( 0.089 0.000 3.023) 3.025 7.023 ( 0.244 0.000 1.656) 1.674 7.071 ( 6.696 0.000 3.230) 7.434 7.131 ( -7.728 0.000 -2.489) 8.119 8.081 ( -2.773 0.000 1.138) 2.998 8.103 ( 2.959 0.000 -0.803) 3.066 8.643 ( 7.052 0.000 6.343) 9.485 8.712 ( -6.522 0.000 -0.402) 6.534 10.050 ( -0.321 0.000 2.284) 2.306 10.093 ( 0.027 0.000 -2.232) 2.232 10.125 ( 0.121 0.000 1.921) 1.924 10.170 ( 0.445 0.000 -2.541) 2.580 10.623 ( -1.109 0.000 0.858) 1.402 10.641 ( 1.011 0.000 -1.064) 1.467 10.873 ( 1.488 0.000 1.219) 1.924 10.893 ( -1.818 0.000 -0.678) 1.941 11.541 ( -0.504 0.000 0.751) 0.904 11.554 ( 0.553 0.000 -0.536) 0.770 11.692 ( 2.472 0.000 0.795) 2.596 11.702 ( -2.730 0.000 -0.191) 2.736 14.783 ( 0.068 0.000 1.097) 1.099 14.804 ( -0.350 0.000 -0.944) 1.007 14.861 ( 1.059 0.000 3.145) 3.319 14.919 ( -2.489 0.000 -2.372) 3.438 15.243 ( 2.357 0.000 -0.316) 2.378 15.246 ( -1.095 0.000 -0.442) 1.181 15.447 ( 0.784 0.000 0.472) 0.915 15.451 ( -1.334 0.000 0.029) 1.335 17.465 ( -0.804 0.000 1.923) 2.084 17.498 ( -0.411 0.000 -0.054) 0.415 17.529 ( 1.264 0.000 -1.699) 2.117 17.532 ( -0.637 0.000 -0.822) 1.040 18.585 ( 2.907 0.000 0.576) 2.963 18.605 ( -3.930 0.000 -1.325) 4.147 18.873 ( 2.634 0.000 1.363) 2.966 18.906 ( -1.296 0.000 -1.825) 2.238 27.829 ( 0.827 0.000 1.634) 1.831 27.861 ( -0.780 0.000 -1.560) 1.744 27.869 ( -0.291 0.000 1.518) 1.546 27.896 ( 1.159 0.000 -1.185) 1.658 29.219 ( 2.259 0.000 0.540) 2.323 29.235 ( -2.255 0.000 -1.142) 2.528 29.659 ( 6.784 0.000 5.768) 8.905 29.750 ( -6.380 0.000 -3.328) 7.196 30.650 ( 2.504 0.000 1.120) 2.743 30.693 ( -2.566 0.000 -3.077) 4.006 30.988 ( -2.943 0.000 1.070) 3.132 31.031 ( 3.807 0.000 -2.782) 4.715 32.491 ( 7.744 0.000 2.398) 8.107 32.518 ( -8.480 0.000 -0.409) 8.490 32.662 ( 10.791 0.000 9.023) 14.066 32.820 ( -10.832 0.000 -6.982) 12.887 ======================= Grid point 192 (101/129) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -15.692 0.000 -0.468) 15.699 1.895 ( -12.413 0.000 -1.696) 12.528 1.983 ( 3.842 0.000 -4.848) 6.186 1.996 ( -0.081 0.000 3.669) 3.670 2.220 ( 11.265 0.000 -9.467) 14.715 2.301 ( 3.289 0.000 4.631) 5.680 2.423 ( 1.080 0.000 5.224) 5.335 2.507 ( 3.709 0.000 -8.650) 9.412 2.977 ( 2.822 0.000 -1.415) 3.157 3.000 ( -5.937 0.000 14.304) 15.487 3.092 ( 2.115 0.000 -0.958) 2.321 3.135 ( -1.286 0.000 -2.583) 2.886 3.508 ( 1.438 0.000 4.135) 4.378 3.574 ( 3.628 0.000 -3.938) 5.355 3.667 ( -0.154 0.000 3.327) 3.330 3.668 ( 1.632 0.000 -3.106) 3.509 4.015 ( -4.097 0.000 2.925) 5.034 4.152 ( 1.949 0.000 3.964) 4.417 4.295 ( -5.931 0.000 2.848) 6.579 4.378 ( -4.821 0.000 0.058) 4.821 4.454 ( -3.738 0.000 3.046) 4.822 4.556 ( 0.494 0.000 0.199) 0.532 4.794 ( 0.964 0.000 -3.185) 3.328 4.893 ( 1.640 0.000 -2.648) 3.115 5.288 ( -0.250 0.000 -1.529) 1.549 5.397 ( 5.283 0.000 0.433) 5.301 5.460 ( -10.284 0.000 2.088) 10.494 5.561 ( -2.954 0.000 -3.902) 4.894 6.060 ( 1.465 0.000 4.480) 4.714 6.098 ( 0.794 0.000 -0.350) 0.867 6.371 ( 2.859 0.000 -3.984) 4.904 6.424 ( 6.758 0.000 4.455) 8.094 6.926 ( -12.034 0.000 -3.356) 12.493 7.040 ( 1.952 0.000 0.544) 2.026 7.078 ( 4.937 0.000 0.686) 4.984 7.196 ( 2.776 0.000 2.549) 3.769 8.089 ( 2.080 0.000 1.300) 2.453 8.165 ( 5.390 0.000 -1.418) 5.574 8.580 ( -6.359 0.000 -4.245) 7.646 8.812 ( 7.494 0.000 2.148) 7.796 10.052 ( -2.626 0.000 2.140) 3.388 10.054 ( -2.081 0.000 -1.626) 2.642 10.133 ( -1.225 0.000 -2.869) 3.120 10.139 ( -1.177 0.000 2.030) 2.347 10.606 ( -2.274 0.000 1.162) 2.553 10.636 ( -0.272 0.000 -0.938) 0.977 10.848 ( -2.568 0.000 -0.703) 2.662 10.900 ( -0.119 0.000 1.154) 1.161 11.542 ( -0.368 0.000 0.548) 0.660 11.557 ( 0.737 0.000 -0.698) 1.015 11.662 ( -1.828 0.000 -0.279) 1.849 11.748 ( 3.323 0.000 0.677) 3.391 14.794 ( 0.370 0.000 -0.949) 1.018 14.800 ( 0.290 0.000 1.341) 1.372 14.865 ( -0.953 0.000 -1.907) 2.132 14.929 ( 2.027 0.000 4.184) 4.649 15.208 ( -2.285 0.000 -1.145) 2.556 15.263 ( 0.690 0.000 -0.875) 1.114 15.436 ( -0.597 0.000 0.379) 0.707 15.466 ( 0.766 0.000 0.491) 0.910 17.467 ( -2.229 0.000 2.388) 3.266 17.483 ( -0.469 0.000 -1.184) 1.273 17.515 ( -0.557 0.000 -0.754) 0.937 17.530 ( -0.014 0.000 0.730) 0.730 18.540 ( -2.884 0.000 0.022) 2.884 18.652 ( 3.499 0.000 1.781) 3.926 18.857 ( -1.569 0.000 -2.942) 3.334 18.929 ( 2.888 0.000 0.741) 2.982 27.833 ( -0.447 0.000 -1.737) 1.793 27.860 ( 0.710 0.000 1.611) 1.761 27.874 ( -0.653 0.000 0.642) 0.916 27.891 ( 0.612 0.000 -2.094) 2.181 29.189 ( -2.073 0.000 -0.726) 2.196 29.264 ( 2.429 0.000 0.804) 2.559 29.597 ( -6.317 0.000 -5.565) 8.419 29.828 ( 6.939 0.000 4.440) 8.238 30.613 ( -3.605 0.000 -2.143) 4.194 30.697 ( 0.569 0.000 2.431) 2.497 30.955 ( -3.475 0.000 1.771) 3.900 31.063 ( 4.308 0.000 -2.783) 5.129 32.355 ( -11.220 0.000 -1.691) 11.346 32.554 ( -10.782 0.000 -7.577) 13.178 32.638 ( 7.524 0.000 2.151) 7.825 32.919 ( 9.179 0.000 7.840) 12.071 ======================= Grid point 193 (102/129) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -17.768 0.000 4.982) 18.453 1.498 ( -21.980 0.000 -6.431) 22.901 2.034 ( 7.623 0.000 -3.659) 8.455 2.095 ( 3.919 0.000 3.319) 5.135 2.354 ( 6.032 0.000 1.482) 6.211 2.438 ( 1.354 0.000 5.831) 5.987 2.440 ( -0.907 0.000 -4.479) 4.570 2.498 ( 6.865 0.000 6.675) 9.575 2.942 ( -20.434 0.000 10.921) 23.169 3.001 ( 0.650 0.000 -5.985) 6.020 3.062 ( -0.412 0.000 -2.682) 2.714 3.152 ( 4.766 0.000 -0.070) 4.766 3.555 ( 3.571 0.000 -7.825) 8.601 3.557 ( 5.250 0.000 -3.812) 6.488 3.739 ( 6.000 0.000 1.708) 6.238 3.761 ( 3.522 0.000 7.084) 7.912 4.011 ( -5.210 0.000 8.304) 9.804 4.129 ( -7.581 0.000 -0.565) 7.602 4.239 ( -2.779 0.000 -1.766) 3.292 4.355 ( 0.093 0.000 5.773) 5.774 4.486 ( -1.071 0.000 8.390) 8.458 4.565 ( -1.850 0.000 5.679) 5.973 4.789 ( 5.317 0.000 -5.609) 7.728 4.874 ( -2.451 0.000 1.261) 2.756 5.265 ( -0.931 0.000 -1.750) 1.982 5.300 ( -9.522 0.000 -0.338) 9.528 5.501 ( -1.180 0.000 -0.573) 1.312 5.503 ( 5.897 0.000 2.571) 6.433 6.099 ( 0.475 0.000 -1.058) 1.160 6.151 ( 3.079 0.000 2.629) 4.049 6.375 ( 2.564 0.000 -3.661) 4.469 6.544 ( 2.966 0.000 1.272) 3.227 6.714 ( -9.162 0.000 -2.510) 9.500 7.079 ( 2.006 0.000 -0.309) 2.029 7.203 ( 9.097 0.000 1.407) 9.205 7.224 ( 1.879 0.000 -3.238) 3.743 8.153 ( 3.510 0.000 0.480) 3.542 8.211 ( 2.702 0.000 -3.085) 4.101 8.435 ( -4.690 0.000 -4.373) 6.413 8.903 ( 5.112 0.000 -5.799) 7.730 10.000 ( -3.114 0.000 -0.017) 3.114 10.014 ( -5.041 0.000 1.961) 5.409 10.075 ( -2.087 0.000 -1.964) 2.866 10.138 ( -1.629 0.000 2.139) 2.688 10.580 ( -2.609 0.000 1.318) 2.923 10.611 ( -1.374 0.000 -0.984) 1.690 10.800 ( -2.553 0.000 -0.425) 2.588 10.888 ( -2.723 0.000 0.740) 2.822 11.540 ( -0.429 0.000 0.255) 0.499 11.559 ( 0.633 0.000 -1.030) 1.209 11.647 ( 0.061 0.000 0.495) 0.499 11.810 ( 3.845 0.000 0.068) 3.846 14.792 ( 0.964 0.000 -1.437) 1.730 14.813 ( 0.027 0.000 0.290) 0.291 14.858 ( 1.343 0.000 0.228) 1.362 14.996 ( 1.105 0.000 1.189) 1.623 15.163 ( -2.110 0.000 0.933) 2.307 15.245 ( -1.089 0.000 -1.306) 1.701 15.443 ( 0.626 0.000 0.639) 0.894 15.479 ( 0.159 0.000 0.408) 0.438 17.444 ( -3.506 0.000 1.916) 3.995 17.457 ( -0.659 0.000 -1.745) 1.866 17.497 ( -0.424 0.000 -1.019) 1.104 17.565 ( 1.429 0.000 4.250) 4.484 18.518 ( -1.313 0.000 1.972) 2.369 18.722 ( 2.725 0.000 1.028) 2.913 18.791 ( -2.418 0.000 -2.396) 3.404 18.985 ( 3.424 0.000 0.348) 3.442 27.806 ( -0.012 0.000 -2.341) 2.341 27.857 ( -1.060 0.000 -0.673) 1.255 27.877 ( 0.490 0.000 -1.661) 1.732 27.895 ( 0.695 0.000 2.185) 2.293 29.154 ( -1.807 0.000 -0.091) 1.810 29.310 ( 2.144 0.000 0.535) 2.209 29.433 ( -6.291 0.000 -5.176) 8.146 29.979 ( 7.215 0.000 2.635) 7.681 30.534 ( -4.318 0.000 -0.536) 4.351 30.708 ( -3.072 0.000 2.522) 3.974 30.912 ( -4.440 0.000 1.862) 4.815 31.108 ( 4.795 0.000 -2.406) 5.365 32.083 ( -17.799 0.000 -5.100) 18.515 32.373 ( -4.008 0.000 -2.651) 4.806 32.780 ( 8.364 0.000 0.531) 8.381 33.116 ( 6.735 0.000 3.556) 7.616 ======================= Grid point 194 (103/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -16.035 0.000 12.055) 20.061 1.255 ( -15.514 0.000 13.499) 20.565 2.104 ( 5.258 0.000 -4.411) 6.863 2.147 ( -0.903 0.000 0.080) 0.906 2.353 ( -11.427 0.000 4.426) 12.254 2.440 ( -0.764 0.000 7.156) 7.197 2.457 ( -3.888 0.000 5.218) 6.507 2.691 ( -19.577 0.000 8.828) 21.476 2.734 ( 3.548 0.000 6.796) 7.667 2.830 ( -4.811 0.000 -9.781) 10.900 3.188 ( 15.929 0.000 5.068) 16.716 3.200 ( 4.388 0.000 -5.521) 7.052 3.536 ( 8.262 0.000 -12.957) 15.367 3.583 ( 3.690 0.000 -6.494) 7.469 3.761 ( -6.491 0.000 0.200) 6.494 3.870 ( -0.310 0.000 3.385) 3.399 4.037 ( -6.415 0.000 12.850) 14.362 4.054 ( 3.834 0.000 -2.529) 4.593 4.161 ( -0.750 0.000 -3.949) 4.020 4.460 ( 0.262 0.000 7.817) 7.821 4.540 ( 0.450 0.000 2.897) 2.932 4.650 ( 0.458 0.000 10.750) 10.760 4.850 ( -4.962 0.000 5.345) 7.293 4.879 ( 9.370 0.000 0.922) 9.415 5.187 ( -2.140 0.000 -1.784) 2.786 5.227 ( -2.592 0.000 1.026) 2.788 5.492 ( -0.023 0.000 -0.446) 0.447 5.637 ( 5.846 0.000 4.022) 7.096 6.087 ( 0.885 0.000 -3.145) 3.267 6.177 ( 0.830 0.000 -3.412) 3.512 6.361 ( -0.229 0.000 -2.970) 2.979 6.542 ( -2.421 0.000 -1.849) 3.047 6.609 ( -2.543 0.000 0.724) 2.643 7.075 ( -0.933 0.000 -2.153) 2.347 7.179 ( 2.885 0.000 -12.360) 12.692 7.380 ( 11.033 0.000 -0.092) 11.034 8.164 ( -2.524 0.000 -5.860) 6.380 8.177 ( 0.397 0.000 -2.269) 2.304 8.369 ( -0.839 0.000 0.991) 1.298 8.793 ( -5.391 0.000 -14.611) 15.574 9.943 ( -5.212 0.000 0.586) 5.245 9.943 ( -6.025 0.000 1.845) 6.301 10.079 ( 3.607 0.000 3.125) 4.773 10.142 ( -1.046 0.000 2.669) 2.867 10.559 ( -1.374 0.000 0.963) 1.678 10.573 ( -1.905 0.000 -1.072) 2.186 10.758 ( -2.257 0.000 -0.303) 2.277 10.832 ( -4.861 0.000 0.454) 4.882 11.534 ( -0.418 0.000 0.049) 0.420 11.558 ( 0.774 0.000 -1.028) 1.287 11.675 ( 2.120 0.000 1.214) 2.443 11.866 ( 3.446 0.000 -0.844) 3.548 14.789 ( 1.010 0.000 -2.251) 2.467 14.818 ( 1.064 0.000 -0.621) 1.232 14.894 ( 1.734 0.000 1.103) 2.055 14.958 ( -2.846 0.000 -3.625) 4.609 15.185 ( 0.149 0.000 3.890) 3.893 15.212 ( -1.368 0.000 -0.487) 1.452 15.460 ( 0.550 0.000 0.277) 0.616 15.482 ( -0.329 0.000 0.554) 0.644 17.405 ( -3.436 0.000 1.356) 3.694 17.428 ( -0.511 0.000 -1.527) 1.610 17.481 ( 0.189 0.000 -1.208) 1.222 17.664 ( 3.661 0.000 4.336) 5.674 18.531 ( -0.779 0.000 2.702) 2.812 18.725 ( -0.884 0.000 -0.141) 0.895 18.779 ( 0.680 0.000 1.512) 1.658 19.048 ( 3.831 0.000 0.583) 3.875 27.791 ( 1.179 0.000 -1.158) 1.652 27.828 ( -1.029 0.000 -1.184) 1.568 27.874 ( 0.831 0.000 -0.573) 1.010 27.930 ( 0.420 0.000 2.288) 2.326 29.129 ( -1.642 0.000 0.704) 1.787 29.303 ( -4.862 0.000 -0.685) 4.910 29.337 ( 1.201 0.000 -0.693) 1.387 30.127 ( 8.409 0.000 2.198) 8.692 30.463 ( -4.953 0.000 0.972) 5.047 30.649 ( -7.352 0.000 1.870) 7.586 30.856 ( -4.869 0.000 1.470) 5.086 31.142 ( 1.887 0.000 -2.780) 3.360 31.728 ( -16.887 0.000 -5.906) 17.890 32.355 ( 1.356 0.000 2.870) 3.174 32.913 ( 9.223 0.000 -2.597) 9.581 33.178 ( 1.180 0.000 -5.348) 5.477 ======================= Grid point 195 (104/129) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -10.000 0.000 26.521) 28.343 1.251 ( -9.638 0.000 21.339) 23.414 2.068 ( -14.473 0.000 11.328) 18.379 2.073 ( -1.317 0.000 -6.427) 6.561 2.209 ( -6.971 0.000 2.927) 7.560 2.377 ( -8.206 0.000 -2.587) 8.605 2.524 ( -1.610 0.000 9.229) 9.369 2.586 ( -9.328 0.000 12.372) 15.494 2.659 ( -3.845 0.000 -3.196) 5.000 2.846 ( 3.836 0.000 3.101) 4.933 3.160 ( 2.001 0.000 -10.466) 10.656 3.510 ( -0.962 0.000 -8.742) 8.794 3.518 ( 9.020 0.000 -13.937) 16.601 3.608 ( 20.117 0.000 6.446) 21.124 3.629 ( -8.385 0.000 1.219) 8.473 3.762 ( -10.625 0.000 -1.213) 10.694 4.091 ( 0.861 0.000 5.338) 5.407 4.154 ( 10.643 0.000 -2.407) 10.912 4.189 ( 0.590 0.000 6.134) 6.162 4.453 ( -1.220 0.000 -0.957) 1.550 4.668 ( 6.714 0.000 4.870) 8.294 4.753 ( -5.599 0.000 12.109) 13.341 4.897 ( 2.632 0.000 9.219) 9.587 5.032 ( 5.432 0.000 1.925) 5.763 5.191 ( 3.563 0.000 -1.464) 3.852 5.213 ( -4.333 0.000 5.585) 7.069 5.472 ( -0.576 0.000 -2.512) 2.578 5.751 ( 3.762 0.000 0.583) 3.807 6.059 ( 1.666 0.000 -5.325) 5.580 6.146 ( 0.132 0.000 -0.895) 0.905 6.299 ( -1.886 0.000 -4.342) 4.734 6.439 ( -4.500 0.000 -5.725) 7.282 6.609 ( -0.823 0.000 1.396) 1.620 7.004 ( -1.824 0.000 -6.135) 6.400 7.050 ( 1.211 0.000 -14.818) 14.867 7.471 ( 3.691 0.000 -11.067) 11.666 8.029 ( -4.336 0.000 -3.836) 5.790 8.130 ( -2.947 0.000 -1.689) 3.397 8.397 ( 0.572 0.000 2.121) 2.197 8.469 ( -13.939 0.000 -8.917) 16.547 9.864 ( -4.989 0.000 0.765) 5.047 9.876 ( -4.597 0.000 1.685) 4.896 10.174 ( 0.730 0.000 3.952) 4.019 10.222 ( 6.169 0.000 4.402) 7.578 10.533 ( -1.582 0.000 -0.797) 1.772 10.573 ( 3.050 0.000 -0.242) 3.060 10.719 ( -1.921 0.000 -0.705) 2.047 10.756 ( -4.896 0.000 0.516) 4.923 11.531 ( -0.153 0.000 0.180) 0.236 11.560 ( 0.899 0.000 -0.936) 1.298 11.739 ( 4.061 0.000 1.205) 4.236 11.895 ( 2.006 0.000 -1.763) 2.670 14.758 ( -1.397 0.000 -2.402) 2.779 14.832 ( 1.766 0.000 -1.118) 2.090 14.895 ( -0.405 0.000 -1.075) 1.149 14.929 ( 1.221 0.000 0.573) 1.349 15.195 ( -0.896 0.000 0.671) 1.120 15.216 ( -0.644 0.000 1.959) 2.062 15.463 ( -0.303 0.000 -0.057) 0.308 15.481 ( -0.670 0.000 0.587) 0.891 17.372 ( -2.309 0.000 1.110) 2.562 17.409 ( -0.060 0.000 -1.095) 1.097 17.479 ( 1.282 0.000 -1.166) 1.733 17.720 ( 0.117 0.000 -1.708) 1.712 18.546 ( -1.091 0.000 2.466) 2.697 18.739 ( 0.937 0.000 -1.007) 1.375 18.837 ( 3.578 0.000 6.223) 7.178 19.114 ( 3.181 0.000 0.659) 3.249 27.802 ( -0.599 0.000 -0.972) 1.142 27.817 ( 2.081 0.000 -0.202) 2.091 27.898 ( 2.386 0.000 0.919) 2.557 27.956 ( -0.178 0.000 1.985) 1.993 29.118 ( -1.383 0.000 1.647) 2.150 29.313 ( 3.410 0.000 7.285) 8.044 29.328 ( -0.143 0.000 -2.548) 2.552 30.302 ( 9.762 0.000 2.897) 10.183 30.402 ( -4.604 0.000 2.053) 5.041 30.525 ( -9.765 0.000 1.009) 9.817 30.794 ( -4.376 0.000 0.864) 4.461 31.033 ( -12.313 0.000 -3.860) 12.903 31.508 ( -0.928 0.000 -4.556) 4.649 32.468 ( 4.499 0.000 7.908) 9.098 32.886 ( -10.460 0.000 -13.553) 17.120 33.100 ( 6.299 0.000 -7.916) 10.117 ======================= Grid point 196 (105/129) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -11.444 0.000 25.112) 27.596 1.404 ( -3.278 0.000 22.705) 22.940 1.957 ( -1.670 0.000 -6.700) 6.905 2.030 ( -5.514 0.000 10.611) 11.958 2.220 ( 4.348 0.000 -2.336) 4.935 2.243 ( -4.380 0.000 -0.309) 4.391 2.557 ( -3.201 0.000 -6.514) 7.258 2.572 ( -3.432 0.000 7.483) 8.232 2.634 ( -10.216 0.000 18.328) 20.983 2.919 ( 1.836 0.000 -1.797) 2.569 3.064 ( 1.575 0.000 -5.409) 5.634 3.433 ( 1.359 0.000 -3.103) 3.388 3.484 ( 3.522 0.000 -10.402) 10.982 3.549 ( -3.561 0.000 1.310) 3.794 3.571 ( -2.327 0.000 -3.958) 4.592 3.834 ( -3.162 0.000 0.739) 3.247 4.239 ( -2.574 0.000 13.489) 13.732 4.300 ( 16.140 0.000 -0.216) 16.142 4.312 ( 9.848 0.000 -1.531) 9.966 4.473 ( 7.909 0.000 -2.312) 8.240 4.812 ( 4.530 0.000 3.747) 5.879 4.819 ( -3.872 0.000 14.687) 15.189 5.031 ( -1.714 0.000 6.572) 6.792 5.075 ( -0.493 0.000 -2.252) 2.305 5.160 ( -11.420 0.000 5.242) 12.566 5.204 ( 0.855 0.000 -2.924) 3.046 5.463 ( 6.666 0.000 -3.261) 7.420 5.742 ( -2.509 0.000 -3.177) 4.048 6.024 ( 1.109 0.000 -5.192) 5.309 6.127 ( -3.008 0.000 -4.542) 5.448 6.281 ( 3.230 0.000 4.896) 5.865 6.323 ( 0.880 0.000 -6.066) 6.129 6.570 ( -5.181 0.000 -0.696) 5.227 6.871 ( -3.649 0.000 -10.762) 11.364 6.937 ( 1.417 0.000 -7.206) 7.344 7.234 ( -8.709 0.000 -14.470) 16.889 8.013 ( 2.301 0.000 -0.185) 2.308 8.060 ( -3.890 0.000 -0.326) 3.904 8.262 ( -5.344 0.000 0.778) 5.400 8.402 ( -1.295 0.000 -0.710) 1.477 9.813 ( -2.596 0.000 1.220) 2.868 9.837 ( -2.246 0.000 0.817) 2.391 10.255 ( 2.520 0.000 5.079) 5.670 10.317 ( 1.298 0.000 2.318) 2.656 10.511 ( -0.646 0.000 0.512) 0.824 10.616 ( 1.956 0.000 -1.978) 2.782 10.684 ( -0.903 0.000 -1.260) 1.550 10.707 ( -0.982 0.000 -0.681) 1.195 11.534 ( 0.057 0.000 0.501) 0.505 11.563 ( 0.647 0.000 -0.939) 1.140 11.814 ( 3.688 0.000 0.075) 3.689 11.891 ( 0.315 0.000 -2.039) 2.063 14.738 ( 0.685 0.000 1.025) 1.233 14.843 ( 1.156 0.000 -1.592) 1.967 14.904 ( 1.356 0.000 0.049) 1.357 14.942 ( -0.069 0.000 0.015) 0.071 15.196 ( -0.304 0.000 1.065) 1.108 15.215 ( -1.045 0.000 0.757) 1.290 15.454 ( -0.596 0.000 0.014) 0.596 15.471 ( -1.137 0.000 0.248) 1.164 17.359 ( -0.866 0.000 1.134) 1.427 17.399 ( 0.153 0.000 -0.978) 0.990 17.496 ( 2.294 0.000 -0.853) 2.447 17.642 ( -5.207 0.000 -2.631) 5.834 18.556 ( -1.095 0.000 2.768) 2.977 18.710 ( -0.530 0.000 -3.661) 3.700 18.998 ( 6.237 0.000 4.742) 7.835 19.153 ( 1.139 0.000 -0.173) 1.152 27.789 ( -0.076 0.000 -0.274) 0.285 27.828 ( 0.601 0.000 -1.404) 1.527 27.957 ( 2.924 0.000 0.386) 2.950 27.969 ( -0.751 0.000 1.572) 1.742 29.123 ( -0.822 0.000 2.487) 2.620 29.281 ( -0.925 0.000 -3.816) 3.926 29.603 ( 19.458 0.000 9.945) 21.852 30.364 ( -11.699 0.000 0.672) 11.718 30.374 ( -1.765 0.000 2.718) 3.241 30.491 ( 9.521 0.000 1.502) 9.639 30.735 ( -4.051 0.000 0.244) 4.059 30.739 ( -15.393 0.000 -4.321) 15.988 31.562 ( 10.620 0.000 -1.741) 10.762 32.390 ( -27.341 0.000 -12.472) 30.051 32.649 ( 3.944 0.000 11.086) 11.766 33.122 ( 6.125 0.000 -9.913) 11.652 ======================= Grid point 197 (106/129) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -4.874 5.066 16.584) 18.012 1.718 ( 4.798 6.982 4.930) 9.802 1.937 ( 3.332 0.929 8.335) 9.024 2.105 ( -4.375 -1.361 8.846) 9.962 2.210 ( 3.942 0.732 5.818) 7.066 2.260 ( 0.249 -8.575 -2.689) 8.990 2.373 ( 0.303 11.910 -13.824) 18.249 2.550 ( -2.728 1.491 -10.487) 10.938 2.718 ( -4.576 5.546 7.213) 10.184 2.854 ( -1.624 -0.608 -3.563) 3.963 3.276 ( 1.600 4.130 10.369) 11.276 3.436 ( 3.352 2.222 -1.215) 4.202 3.492 ( -3.294 1.886 1.920) 4.253 3.515 ( 3.258 -1.647 8.056) 8.844 3.629 ( 7.483 5.276 -7.331) 11.729 3.700 ( -7.992 1.726 -7.942) 11.399 4.223 ( -2.952 -4.938 8.602) 10.349 4.317 ( -2.082 -3.914 -0.625) 4.477 4.541 ( 4.362 -5.117 6.278) 9.199 4.623 ( -3.538 -15.343 2.624) 15.962 4.709 ( 3.552 4.511 2.689) 6.340 4.815 ( -5.533 1.036 -5.227) 7.681 4.990 ( -4.546 0.162 2.058) 4.993 5.005 ( 4.367 2.801 1.610) 5.432 5.216 ( -0.330 3.651 0.554) 3.708 5.228 ( 4.635 0.589 -1.478) 4.901 5.591 ( 6.721 -0.638 1.586) 6.935 5.643 ( -8.239 -0.023 -2.270) 8.546 5.978 ( -0.445 0.571 -1.744) 1.888 6.026 ( -0.868 1.557 -4.905) 5.219 6.281 ( 5.915 -4.295 2.873) 7.854 6.375 ( -6.983 -3.374 -5.441) 9.474 6.573 ( 3.906 6.400 4.776) 8.889 6.719 ( -2.089 3.695 -9.852) 10.727 6.898 ( 2.294 -1.765 0.850) 3.017 7.010 ( -4.515 -0.148 -9.295) 10.335 8.014 ( -1.173 0.053 0.278) 1.207 8.034 ( 2.631 -0.113 -1.683) 3.125 8.302 ( 2.419 1.313 1.912) 3.351 8.349 ( -1.775 0.067 -2.549) 3.107 9.833 ( -0.097 2.544 1.595) 3.004 9.848 ( 0.103 2.666 0.056) 2.669 10.293 ( 1.585 -3.644 3.645) 5.392 10.330 ( -1.175 -2.423 -0.229) 2.703 10.513 ( -0.915 -0.985 2.005) 2.414 10.566 ( 1.582 -3.574 -2.608) 4.699 10.632 ( -1.131 -1.356 1.736) 2.476 10.664 ( -0.444 -1.435 -1.514) 2.133 11.577 ( 0.510 2.807 0.091) 2.855 11.589 ( -0.530 3.238 -1.111) 3.464 11.813 ( 0.840 -3.095 0.677) 3.278 11.842 ( -1.271 -2.319 -2.287) 3.497 14.778 ( 1.159 -0.326 1.532) 1.948 14.808 ( -0.718 -1.179 -1.544) 2.071 14.937 ( -1.802 1.217 0.912) 2.358 14.950 ( 0.456 1.389 -0.357) 1.505 15.210 ( -0.291 0.964 1.553) 1.851 15.236 ( 1.281 1.856 -1.193) 2.551 15.432 ( -1.699 -1.862 0.558) 2.582 15.441 ( 1.424 -1.397 -0.289) 2.016 17.360 ( 0.101 -0.564 0.945) 1.105 17.379 ( 0.312 -1.004 -0.909) 1.390 17.530 ( -0.759 -0.415 0.181) 0.884 17.531 ( -1.405 -0.427 0.064) 1.470 18.617 ( -0.661 3.353 3.099) 4.613 18.679 ( -0.430 1.987 -3.107) 3.713 19.082 ( 2.743 -2.250 2.194) 4.172 19.120 ( -1.193 -2.168 -1.672) 2.987 27.800 ( 0.140 0.686 0.660) 0.962 27.821 ( 0.093 0.577 -1.388) 1.506 27.961 ( -0.840 -0.637 1.141) 1.553 27.980 ( 1.069 -0.727 -0.781) 1.510 29.206 ( 1.421 5.016 3.715) 6.402 29.278 ( -1.012 4.618 -3.517) 5.892 30.042 ( 20.319 -1.273 2.682) 20.535 30.102 ( -14.233 -2.135 -3.371) 14.782 30.451 ( 3.381 2.441 2.933) 5.098 30.504 ( -4.124 1.126 -2.571) 4.988 30.636 ( 7.141 -1.834 0.331) 7.380 30.654 ( -6.594 -1.141 -1.502) 6.858 31.656 ( -0.936 -11.002 5.693) 12.423 31.733 ( -3.180 -9.714 -2.011) 10.417 32.974 ( -1.460 11.568 4.817) 12.616 33.116 ( 0.379 5.242 -9.019) 10.439 ======================= Grid point 198 (107/129) ======================= q-point: ( 0.08 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.509 4.907 8.369) 10.021 1.815 ( 14.279 2.726 -12.844) 19.398 2.020 ( -2.969 3.918 -9.019) 10.272 2.125 ( -1.672 7.465 2.151) 7.946 2.193 ( 1.641 -8.159 9.985) 12.999 2.279 ( 7.281 3.660 -7.870) 11.329 2.381 ( 0.734 1.923 -3.833) 4.351 2.519 ( 5.966 -1.070 10.660) 12.262 2.735 ( -4.006 1.440 3.897) 5.772 2.863 ( 4.222 4.735 4.621) 7.848 3.333 ( -3.509 0.591 -1.394) 3.822 3.367 ( -5.493 4.434 -9.346) 11.712 3.495 ( -3.132 5.163 3.130) 6.801 3.518 ( 0.879 -1.241 -0.788) 1.713 3.656 ( 9.947 1.004 -9.291) 13.648 3.754 ( 7.796 2.245 8.987) 12.107 4.212 ( -11.031 -4.973 4.587) 12.941 4.258 ( -4.760 -1.200 2.806) 5.655 4.423 ( -10.659 -4.438 -6.793) 13.396 4.545 ( -14.646 8.131 -1.692) 16.836 4.652 ( -1.431 -8.099 6.147) 10.268 4.797 ( -1.198 -9.719 3.743) 10.483 4.959 ( 1.228 -5.176 1.566) 5.545 5.172 ( -3.718 -2.314 -3.713) 5.742 5.213 ( 7.986 3.605 -5.538) 10.366 5.270 ( 7.412 2.315 -0.637) 7.791 5.479 ( -5.372 4.017 1.291) 6.831 5.763 ( 7.014 1.461 1.269) 7.276 5.957 ( -1.154 -0.228 1.081) 1.598 6.028 ( 3.086 1.968 2.331) 4.339 6.196 ( -5.668 -2.157 -1.363) 6.216 6.476 ( 8.747 -4.461 3.608) 10.460 6.558 ( -3.577 5.543 -7.120) 9.706 6.703 ( 3.240 2.611 4.912) 6.437 6.882 ( -2.312 -1.070 -3.502) 4.331 7.009 ( 4.495 -0.540 8.621) 9.737 8.012 ( 0.702 0.181 -0.657) 0.979 8.070 ( 4.316 -0.510 -1.649) 4.648 8.316 ( 1.591 1.541 -1.684) 2.783 8.374 ( 3.403 -0.111 1.324) 3.653 9.849 ( 1.402 2.118 -0.142) 2.544 9.866 ( 1.956 2.570 -0.067) 3.230 10.279 ( -2.941 -3.526 -2.311) 5.141 10.328 ( -1.459 -3.095 1.377) 3.688 10.511 ( -1.653 -1.907 1.217) 2.802 10.552 ( 0.937 -0.981 -1.835) 2.281 10.652 ( 1.406 -0.225 1.539) 2.096 10.682 ( 2.808 -1.663 0.311) 3.278 11.566 ( -1.042 2.323 -0.437) 2.583 11.587 ( 0.140 3.323 0.589) 3.378 11.789 ( -2.826 -2.827 -1.061) 4.136 11.832 ( -0.460 -2.378 1.934) 3.099 14.767 ( -1.632 -0.117 -1.582) 2.276 14.802 ( -0.193 -0.826 1.160) 1.436 14.908 ( -3.019 1.241 1.319) 3.520 14.953 ( -0.354 1.014 0.548) 1.206 15.213 ( -0.144 0.276 -0.047) 0.315 15.248 ( 1.672 1.612 -1.450) 2.738 15.421 ( -0.434 -2.181 0.568) 2.295 15.466 ( 1.792 -0.827 -0.199) 1.984 17.372 ( 0.325 -0.750 0.172) 0.835 17.377 ( 1.011 -0.735 -0.796) 1.482 17.484 ( -2.583 0.819 1.330) 3.019 17.577 ( 2.192 -1.661 1.818) 3.297 18.645 ( 0.076 2.778 -1.543) 3.179 18.654 ( 0.189 2.563 3.273) 4.162 19.055 ( -3.401 -1.749 -3.339) 5.077 19.119 ( -0.110 -2.603 0.775) 2.718 27.806 ( 0.001 0.721 -0.898) 1.152 27.811 ( -0.023 0.488 0.611) 0.782 27.950 ( -1.676 -0.303 0.448) 1.761 27.984 ( 0.640 -0.941 -0.929) 1.470 29.217 ( -0.736 3.904 -2.988) 4.971 29.282 ( 2.305 5.553 2.292) 6.434 29.799 ( -14.658 2.528 -6.618) 16.280 30.316 ( 11.905 -6.010 -1.383) 13.408 30.425 ( -2.412 0.188 -0.118) 2.422 30.519 ( -3.782 -1.660 -2.407) 4.781 30.672 ( 14.350 1.588 2.323) 14.623 30.745 ( 6.079 -0.388 0.448) 6.107 31.490 ( -8.940 -2.778 1.382) 9.463 31.988 ( 17.646 -15.396 3.290) 23.648 32.993 ( -5.230 7.647 1.274) 9.352 32.997 ( -4.510 7.547 1.204) 8.874 ======================= Grid point 199 (108/129) ======================= q-point: ( 0.17 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 6.350 8.199 -8.491) 13.403 1.780 ( 6.427 4.433 -22.880) 24.175 1.972 ( 7.527 1.358 -3.944) 8.606 2.129 ( 2.817 1.739 3.506) 4.822 2.288 ( 3.606 -4.990 0.776) 6.205 2.383 ( 6.739 1.583 -2.994) 7.542 2.468 ( 5.552 1.764 7.493) 9.491 2.609 ( 2.110 -0.677 -2.171) 3.102 2.799 ( -2.001 2.250 12.320) 12.683 2.998 ( 4.377 4.668 4.409) 7.770 3.083 ( -6.689 5.227 -13.177) 15.675 3.258 ( -7.165 -0.988 3.722) 8.134 3.456 ( -2.454 4.055 0.102) 4.741 3.651 ( 6.699 -1.400 0.700) 6.879 3.729 ( 10.336 0.366 -3.357) 10.874 3.852 ( -3.748 3.010 -6.667) 8.219 4.052 ( -9.833 0.474 6.894) 12.018 4.132 ( -10.705 4.437 3.159) 12.011 4.278 ( 0.899 -3.511 -4.375) 5.681 4.430 ( -4.775 0.438 5.111) 7.008 4.660 ( -2.366 -6.157 0.139) 6.597 4.768 ( -1.140 -10.941 -3.016) 11.406 4.929 ( -6.500 -8.777 -3.802) 11.564 5.030 ( -4.579 -3.425 -2.216) 6.132 5.208 ( 2.785 0.240 -6.159) 6.764 5.297 ( 0.745 -3.452 -6.315) 7.236 5.565 ( 5.233 10.448 4.309) 12.454 5.806 ( -0.451 5.824 -0.453) 5.859 5.963 ( -0.972 -0.806 2.018) 2.381 6.099 ( 1.375 -4.163 1.191) 4.543 6.230 ( 4.160 2.976 6.606) 8.354 6.454 ( -1.335 8.815 0.454) 8.928 6.597 ( 3.348 -2.930 -0.565) 4.485 6.796 ( -0.654 -5.045 6.158) 7.988 6.885 ( 1.967 2.287 5.700) 6.449 7.196 ( 2.011 -1.814 12.322) 12.616 8.019 ( 2.177 0.598 -1.007) 2.472 8.128 ( 4.008 -0.561 -0.678) 4.104 8.379 ( 5.721 1.296 1.893) 6.164 8.423 ( 1.432 0.611 0.967) 1.833 9.885 ( 3.656 1.111 -0.662) 3.879 9.907 ( 3.902 1.052 -0.668) 4.096 10.202 ( -2.727 -2.983 -2.754) 4.890 10.268 ( -5.373 -2.537 -1.196) 6.061 10.514 ( 1.211 -0.161 0.508) 1.324 10.563 ( 1.880 0.185 -0.469) 1.946 10.700 ( 2.411 0.005 1.130) 2.663 10.743 ( 3.868 -1.228 0.876) 4.151 11.546 ( -1.172 1.519 0.093) 1.921 11.594 ( -0.312 3.994 0.815) 4.088 11.728 ( -3.475 -2.437 -0.571) 4.283 11.841 ( -1.747 -1.702 2.477) 3.476 14.734 ( -0.893 -0.197 -0.409) 1.002 14.811 ( -0.018 -1.028 1.190) 1.573 14.876 ( -2.842 1.740 1.465) 3.640 14.952 ( -0.684 1.373 0.830) 1.744 15.209 ( 0.532 -0.481 -1.189) 1.389 15.253 ( 1.018 0.191 -1.528) 1.846 15.427 ( 0.110 -1.885 0.583) 1.976 15.486 ( 0.958 -0.508 -0.202) 1.103 17.382 ( 1.021 -0.685 -0.082) 1.232 17.393 ( 2.055 -0.634 -0.818) 2.301 17.470 ( -1.303 1.443 1.362) 2.374 17.630 ( 0.874 -2.876 2.770) 4.088 18.634 ( 0.683 3.748 -1.297) 4.025 18.700 ( 0.139 1.709 3.636) 4.020 18.940 ( -4.402 -1.331 -5.497) 7.167 19.098 ( -2.553 -2.913 -0.486) 3.904 27.801 ( 0.419 0.467 -0.392) 0.740 27.811 ( -0.792 0.092 0.293) 0.849 27.916 ( -2.353 0.313 -0.536) 2.434 27.979 ( 0.087 -0.971 -1.166) 1.519 29.181 ( 0.567 2.629 -2.883) 3.943 29.326 ( 0.991 2.418 -0.153) 2.618 29.545 ( -7.624 8.582 -4.552) 12.349 30.276 ( -10.099 -5.834 -0.833) 11.693 30.452 ( 4.830 0.227 -1.274) 5.000 30.558 ( 9.949 -1.673 -3.195) 10.583 30.824 ( 5.903 0.719 -0.991) 6.029 30.932 ( 9.072 -1.475 4.762) 10.351 31.466 ( 5.547 2.765 0.469) 6.216 32.252 ( 10.939 -19.926 -1.041) 22.755 32.908 ( -4.541 10.086 3.890) 11.725 32.978 ( -6.609 3.900 7.724) 10.888 ======================= Grid point 200 (109/129) ======================= q-point: ( 0.25 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.575 6.275 -19.719) 21.193 1.684 ( 6.870 11.376 -14.399) 19.595 2.041 ( 2.342 2.612 -0.202) 3.514 2.249 ( 1.472 4.250 4.580) 6.419 2.325 ( 0.906 -4.796 -1.731) 5.178 2.393 ( -0.285 -7.334 -2.599) 7.786 2.590 ( 3.507 -1.932 0.299) 4.015 2.681 ( 10.409 2.940 -4.671) 11.781 2.839 ( -3.116 5.927 3.597) 7.601 2.950 ( -0.252 3.741 2.381) 4.442 3.106 ( 5.524 3.276 1.156) 6.526 3.218 ( -8.953 0.421 9.598) 13.132 3.423 ( -7.359 -1.099 -2.470) 7.840 3.483 ( -8.481 3.514 -1.285) 9.269 3.806 ( 7.868 -0.681 -8.974) 11.954 3.908 ( 5.019 4.627 6.195) 9.219 4.040 ( -1.858 1.788 2.452) 3.558 4.073 ( -1.686 1.893 3.994) 4.731 4.241 ( 4.209 -4.545 -10.695) 12.360 4.460 ( -2.970 -2.084 8.425) 9.173 4.592 ( 0.003 -3.219 -5.797) 6.631 4.734 ( -1.037 -8.737 -1.164) 8.875 4.747 ( -4.283 -8.391 -7.153) 11.829 4.972 ( -2.322 -1.871 -1.875) 3.523 5.123 ( -0.679 -4.058 -9.432) 10.291 5.283 ( 3.457 -3.951 -1.491) 5.457 5.612 ( 1.611 8.498 -4.216) 9.622 5.761 ( -3.938 6.448 -2.069) 7.834 5.993 ( -0.944 -0.763 4.425) 4.589 6.082 ( -0.449 -4.698 -1.969) 5.113 6.348 ( 3.631 3.144 1.541) 5.044 6.557 ( 2.891 7.439 9.169) 12.156 6.620 ( 1.942 -1.181 -0.168) 2.279 6.863 ( -1.960 -3.581 11.958) 12.636 6.996 ( 2.126 0.109 5.629) 6.018 7.282 ( -5.543 -2.543 7.496) 9.663 8.075 ( 2.775 0.960 2.910) 4.134 8.161 ( 0.067 0.106 0.411) 0.429 8.413 ( -0.575 2.417 -0.013) 2.484 8.557 ( 6.265 -0.771 7.750) 9.996 9.949 ( 4.773 0.124 -0.228) 4.780 9.974 ( 5.574 -0.157 -1.301) 5.726 10.117 ( -4.271 -1.107 -2.142) 4.905 10.190 ( -0.936 -0.893 -1.983) 2.367 10.551 ( 2.624 0.616 0.140) 2.700 10.597 ( 2.503 1.330 -0.012) 2.835 10.747 ( 2.110 0.048 0.758) 2.242 10.818 ( 3.799 -1.126 1.085) 4.108 11.533 ( -0.885 0.900 0.523) 1.367 11.595 ( -0.584 3.962 0.577) 4.046 11.673 ( -2.601 -1.778 -0.348) 3.170 11.827 ( -3.060 -1.351 1.899) 3.846 14.727 ( -0.637 -1.006 1.044) 1.583 14.832 ( 0.625 -2.863 1.098) 3.129 14.853 ( -1.868 3.167 1.362) 3.921 14.956 ( 0.087 1.930 1.182) 2.265 15.204 ( 1.006 -0.962 -1.781) 2.261 15.247 ( 0.431 -0.524 -1.523) 1.667 15.434 ( -0.116 -1.247 0.556) 1.370 15.491 ( -0.077 -0.293 -0.120) 0.325 17.401 ( 1.229 -0.393 0.286) 1.321 17.426 ( 3.561 -0.718 -1.280) 3.851 17.470 ( -0.436 1.444 1.204) 1.930 17.651 ( -1.437 -3.176 1.116) 3.660 18.631 ( 0.379 4.518 -1.384) 4.741 18.727 ( -0.826 1.418 1.554) 2.260 18.820 ( -1.959 -1.636 -4.848) 5.479 19.035 ( -3.745 -3.158 -1.153) 5.033 27.790 ( -1.456 0.261 -0.286) 1.507 27.813 ( 0.948 -0.043 0.345) 1.009 27.877 ( -1.444 0.743 -0.413) 1.676 27.959 ( -0.566 -1.016 -1.596) 1.975 29.171 ( 1.419 2.186 -1.811) 3.173 29.319 ( 1.613 -0.667 -2.294) 2.882 29.457 ( -2.347 11.290 0.157) 11.532 30.105 ( -9.886 -4.466 -0.283) 10.851 30.510 ( 4.527 0.992 -1.534) 4.882 30.677 ( 8.373 -2.187 -2.904) 9.128 30.898 ( 4.873 1.160 -1.244) 5.162 31.048 ( 0.566 -2.540 3.346) 4.239 31.675 ( 17.058 3.869 2.182) 17.626 32.303 ( 2.107 -12.170 -4.421) 13.118 32.865 ( -9.201 4.443 6.360) 12.035 33.028 ( 0.076 -0.010 8.210) 8.210 ======================= Grid point 201 (110/129) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 7.358 6.566 -10.812) 14.634 1.719 ( 11.023 10.956 -3.741) 15.985 2.022 ( -3.432 3.896 -0.801) 5.253 2.155 ( -7.716 -0.955 -5.599) 9.581 2.302 ( -2.067 -6.184 -0.195) 6.523 2.401 ( -2.198 -0.286 4.149) 4.704 2.607 ( 1.565 2.346 -2.626) 3.853 2.716 ( -0.388 5.018 -6.686) 8.369 2.894 ( 6.228 3.405 3.690) 8.000 3.037 ( -1.164 1.812 5.324) 5.743 3.061 ( -7.262 8.587 2.064) 11.433 3.245 ( 4.072 1.010 1.727) 4.537 3.344 ( 1.622 -3.640 2.389) 4.646 3.452 ( -3.203 -1.083 2.862) 4.430 3.761 ( -3.293 -1.107 -4.611) 5.773 3.909 ( -7.424 3.945 -1.467) 8.534 4.095 ( 5.161 -1.367 -0.988) 5.429 4.124 ( 3.182 -4.350 -1.068) 5.495 4.228 ( 8.596 0.416 -6.116) 10.558 4.423 ( -3.452 -4.606 -1.666) 5.992 4.605 ( 1.809 -5.205 -2.509) 6.055 4.632 ( -4.899 -4.194 -0.874) 6.508 4.696 ( 1.509 1.223 -4.045) 4.487 4.882 ( -1.764 -1.840 -5.668) 6.215 5.107 ( 7.444 -7.654 -2.410) 10.945 5.345 ( 4.558 -5.592 0.214) 7.218 5.570 ( 0.967 6.280 -5.868) 8.649 5.638 ( -4.253 4.390 -6.357) 8.819 6.011 ( -2.024 -2.607 3.820) 5.049 6.083 ( 0.034 -3.440 1.147) 3.626 6.372 ( -1.226 2.645 -0.478) 2.955 6.648 ( -0.982 3.787 0.070) 3.913 6.670 ( 4.474 2.228 4.633) 6.815 6.996 ( -2.233 -2.165 12.934) 13.303 7.066 ( 1.175 -0.550 2.912) 3.188 7.234 ( -5.373 0.511 2.720) 6.044 8.131 ( -1.652 -0.078 3.877) 4.215 8.152 ( -2.210 0.642 2.142) 3.145 8.415 ( 0.607 3.836 1.392) 4.125 8.712 ( 0.530 -2.811 8.365) 8.841 10.010 ( 2.130 0.161 -0.580) 2.213 10.036 ( 3.136 -0.658 0.302) 3.218 10.077 ( 2.569 1.494 -1.166) 3.192 10.175 ( 1.169 -0.653 -1.901) 2.325 10.594 ( 2.584 0.943 -0.046) 2.751 10.636 ( 2.036 2.018 0.103) 2.868 10.786 ( 1.853 -0.185 0.630) 1.966 10.879 ( 2.179 -1.236 0.805) 2.632 11.531 ( -0.311 0.500 0.890) 1.067 11.588 ( -0.657 2.974 0.034) 3.046 11.642 ( -0.851 -1.125 0.016) 1.411 11.788 ( -3.624 -1.226 0.949) 3.941 14.735 ( -0.223 -1.076 1.736) 2.055 14.835 ( -0.924 -2.381 0.498) 2.602 14.847 ( -0.699 2.553 0.264) 2.660 14.979 ( 0.130 0.539 1.493) 1.593 15.199 ( 1.436 -0.941 -2.372) 2.928 15.242 ( 0.596 0.029 -0.441) 0.742 15.435 ( -0.423 -0.566 0.443) 0.833 15.484 ( -0.635 -0.165 -0.014) 0.656 17.426 ( 1.206 -0.144 0.631) 1.368 17.469 ( 3.159 -1.220 -1.302) 3.628 17.484 ( 0.858 1.165 0.746) 1.628 17.612 ( -2.435 -1.918 -1.623) 3.499 18.607 ( -0.169 4.033 -2.623) 4.814 18.716 ( -1.130 0.162 0.069) 1.144 18.783 ( 0.662 -0.919 -1.161) 1.623 18.966 ( -3.163 -3.084 -0.877) 4.504 27.776 ( -0.338 0.562 0.836) 1.063 27.835 ( 0.702 -0.790 0.789) 1.319 27.864 ( 0.031 0.712 0.057) 0.715 27.928 ( -0.916 -0.829 -1.746) 2.139 29.184 ( 1.939 2.599 -0.592) 3.297 29.359 ( 4.228 -1.134 1.057) 4.503 29.423 ( -2.313 9.497 -0.318) 9.780 29.962 ( -7.967 -3.779 -0.078) 8.818 30.562 ( 3.570 1.383 -0.662) 3.885 30.748 ( 4.321 -1.558 -2.800) 5.380 30.949 ( 2.927 0.173 -0.695) 3.013 31.058 ( -0.836 -1.395 -0.197) 1.638 31.999 ( 17.562 1.961 4.498) 18.234 32.302 ( 2.599 -5.142 -0.502) 5.783 32.778 ( -8.507 3.449 3.747) 9.915 33.073 ( -3.379 -4.163 3.049) 6.168 ======================= Grid point 202 (111/129) ======================= q-point: ( 0.42 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 10.360 0.436 -0.716) 10.394 1.878 ( 1.832 2.731 2.203) 3.958 2.000 ( -0.260 -2.758 -2.662) 3.842 2.018 ( 5.652 10.395 2.181) 12.032 2.204 ( -8.984 -4.030 -2.386) 10.131 2.434 ( -0.925 7.423 7.079) 10.299 2.603 ( 2.107 11.186 -7.599) 13.686 2.611 ( 0.043 8.902 -2.873) 9.354 2.954 ( -8.100 7.686 4.693) 12.113 3.042 ( 1.909 -0.334 3.384) 3.900 3.066 ( -0.474 0.445 2.636) 2.715 3.269 ( 0.980 1.583 -6.022) 6.303 3.421 ( 3.140 -7.170 3.073) 8.409 3.466 ( 0.809 -4.487 2.868) 5.386 3.640 ( -3.929 -2.344 -5.069) 6.828 3.742 ( -8.196 -0.107 -3.527) 8.923 4.073 ( 1.058 -2.073 -4.775) 5.312 4.176 ( -0.302 -3.734 -0.804) 3.832 4.305 ( 5.405 -2.132 -3.022) 6.549 4.358 ( -4.439 -7.046 -0.376) 8.336 4.522 ( -0.796 4.168 -3.368) 5.418 4.574 ( -0.178 -2.012 -2.571) 3.270 4.762 ( 6.094 -0.793 -0.865) 6.206 4.835 ( 0.555 -1.491 -1.738) 2.356 5.219 ( 7.209 -4.699 -0.847) 8.647 5.416 ( 3.335 -8.141 0.692) 8.825 5.464 ( -6.075 3.476 -4.278) 8.203 5.581 ( 5.628 0.589 -6.922) 8.940 6.020 ( -2.133 -2.292 3.670) 4.825 6.082 ( -0.533 -2.785 -0.796) 2.946 6.335 ( -2.415 3.959 1.521) 4.881 6.573 ( -5.516 2.977 -2.935) 6.921 6.826 ( 6.373 0.628 5.909) 8.714 7.047 ( -1.804 1.617 5.284) 5.813 7.070 ( -2.958 0.275 0.721) 3.056 7.223 ( -1.029 0.977 1.447) 2.027 8.108 ( -3.175 0.699 1.956) 3.795 8.150 ( -2.122 1.642 1.956) 3.320 8.483 ( 3.582 1.767 4.995) 6.396 8.750 ( -4.270 -3.188 4.240) 6.810 10.033 ( 0.797 1.173 1.631) 2.161 10.089 ( 1.925 -0.273 1.121) 2.244 10.110 ( 2.578 1.012 -1.993) 3.412 10.175 ( 1.362 -0.494 -1.941) 2.422 10.629 ( 1.584 1.367 0.229) 2.105 10.659 ( 0.946 2.245 -0.303) 2.455 10.824 ( 1.868 -0.632 0.896) 2.166 10.900 ( -0.132 -1.308 0.080) 1.317 11.540 ( -0.024 0.516 1.029) 1.152 11.576 ( -0.485 1.796 -0.444) 1.913 11.647 ( 0.917 -0.755 0.561) 1.313 11.739 ( -3.158 -1.122 0.173) 3.356 14.757 ( 0.259 -0.723 1.867) 2.019 14.821 ( -0.717 -1.620 -0.778) 1.935 14.840 ( -0.539 1.968 0.974) 2.261 14.968 ( -2.019 -1.103 -1.015) 2.515 15.210 ( 2.338 0.131 -0.914) 2.514 15.251 ( 0.376 -0.091 0.187) 0.430 15.434 ( -0.107 -0.070 0.447) 0.465 15.471 ( -0.908 -0.087 -0.077) 0.916 17.450 ( 0.483 -0.094 1.062) 1.170 17.494 ( 0.780 -0.620 0.534) 1.131 17.505 ( 1.875 -0.306 -1.664) 2.525 17.559 ( -1.185 -0.595 -1.934) 2.345 18.586 ( 0.991 2.904 -1.719) 3.517 18.682 ( -2.765 0.329 -0.814) 2.901 18.805 ( 2.068 -1.103 0.738) 2.458 18.917 ( -1.904 -2.754 -0.851) 3.454 27.796 ( 0.688 0.201 1.744) 1.886 27.847 ( -0.282 -0.963 0.970) 1.396 27.877 ( 1.132 0.183 -0.200) 1.163 27.896 ( -0.615 -0.239 -1.323) 1.478 29.219 ( 2.415 3.599 0.457) 4.358 29.365 ( -2.711 7.213 -1.638) 7.878 29.476 ( 5.582 -1.527 4.358) 7.245 29.841 ( -6.621 -3.636 -1.180) 7.646 30.610 ( 2.644 1.368 0.545) 3.026 30.752 ( 0.556 -0.455 -3.065) 3.148 30.978 ( 0.949 -1.028 0.320) 1.435 31.033 ( 0.072 -0.215 -2.419) 2.430 32.304 ( 13.242 -0.035 3.987) 13.829 32.392 ( 5.967 -2.381 4.965) 8.120 32.680 ( -7.250 3.471 1.374) 8.154 32.986 ( -7.345 -4.172 -2.733) 8.878 ======================= Grid point 203 (112/129) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.356 -1.879 3.681) 6.766 1.860 ( -2.120 -1.874 -3.087) 4.188 1.968 ( 3.417 -0.471 0.735) 3.527 2.020 ( -6.957 -1.778 -3.872) 8.158 2.274 ( 9.542 12.412 8.246) 17.694 2.420 ( -6.975 7.133 -2.848) 10.375 2.582 ( 2.782 16.639 -2.179) 17.010 2.629 ( 5.021 11.700 -4.432) 13.481 2.917 ( -4.807 2.782 8.410) 10.078 3.010 ( -0.760 2.717 0.853) 2.947 3.113 ( -1.188 -0.573 0.417) 1.383 3.191 ( -0.881 0.357 -6.084) 6.158 3.464 ( -3.075 -1.611 3.069) 4.633 3.522 ( 4.367 -4.927 1.421) 6.736 3.570 ( 0.611 -6.533 -1.870) 6.823 3.611 ( -2.608 -6.065 -3.406) 7.429 4.066 ( 0.518 -1.354 0.038) 1.450 4.093 ( -4.055 -1.227 -2.401) 4.870 4.281 ( -5.890 -6.477 3.508) 9.432 4.340 ( 2.642 -6.132 -2.957) 7.302 4.530 ( -0.517 1.429 -0.567) 1.622 4.539 ( 0.184 2.121 -0.907) 2.315 4.815 ( 0.554 -1.119 -0.031) 1.249 4.843 ( 3.209 -1.458 -3.008) 4.634 5.303 ( -0.754 -1.966 0.504) 2.165 5.337 ( 0.400 0.170 -2.917) 2.949 5.470 ( 0.696 -5.813 2.719) 6.455 5.564 ( 0.495 -5.801 -7.001) 9.106 6.023 ( -2.863 -0.922 3.349) 4.502 6.069 ( 1.376 -1.371 -1.346) 2.363 6.372 ( 3.569 5.558 3.592) 7.519 6.446 ( -3.770 3.250 -3.902) 6.325 6.963 ( 2.609 -1.159 4.736) 5.530 7.022 ( -1.841 1.030 -1.086) 2.372 7.117 ( 1.128 1.537 4.224) 4.634 7.171 ( -3.183 1.829 -1.347) 3.910 8.106 ( -0.161 2.475 1.735) 3.027 8.135 ( 1.074 2.806 -0.945) 3.150 8.625 ( 5.768 -1.564 5.747) 8.291 8.688 ( -5.744 -2.338 -0.336) 6.210 10.062 ( -0.389 1.045 2.185) 2.453 10.102 ( -0.140 0.688 -1.803) 1.935 10.126 ( 0.172 0.076 1.549) 1.560 10.167 ( 0.498 -0.334 -2.385) 2.459 10.644 ( -0.904 2.016 0.971) 2.413 10.663 ( 0.868 1.975 -1.005) 2.380 10.863 ( 1.407 -0.944 1.186) 2.068 10.880 ( -1.771 -1.162 -0.513) 2.179 11.551 ( -0.112 0.950 0.918) 1.326 11.566 ( 0.201 1.146 -0.722) 1.369 11.680 ( 1.682 -1.075 1.038) 2.250 11.695 ( -1.915 -0.818 -0.453) 2.131 14.780 ( 0.323 -0.173 1.332) 1.382 14.802 ( -0.317 -0.308 -0.935) 1.034 14.859 ( 0.600 -0.017 2.648) 2.715 14.910 ( -2.197 -0.876 -2.221) 3.245 15.241 ( 1.395 -0.005 0.019) 1.395 15.248 ( -0.293 0.077 -0.548) 0.627 15.444 ( 0.349 -0.033 0.737) 0.816 15.454 ( -0.777 0.108 -0.281) 0.833 17.464 ( -0.708 -0.098 1.681) 1.826 17.500 ( -0.223 0.100 -0.830) 0.865 17.510 ( 0.524 -1.272 -0.055) 1.377 17.531 ( -0.329 -0.408 -1.421) 1.514 18.605 ( 2.382 1.956 0.223) 3.090 18.620 ( -3.228 1.452 -1.106) 3.708 18.852 ( 2.256 -1.946 1.137) 3.189 18.881 ( -1.049 -2.343 -1.672) 3.064 27.826 ( 0.687 -0.257 1.417) 1.596 27.847 ( -0.510 -0.914 -0.263) 1.079 27.876 ( -0.275 0.336 0.227) 0.491 27.894 ( 0.982 -0.242 -1.068) 1.471 29.270 ( 2.752 4.935 1.231) 5.783 29.300 ( -2.817 5.958 -1.803) 6.832 29.629 ( 6.414 -2.963 5.247) 8.801 29.715 ( -6.083 -3.454 -3.411) 7.782 30.657 ( 1.191 0.861 1.901) 2.403 30.707 ( -1.306 0.906 -3.216) 3.587 30.980 ( -1.908 -0.556 1.308) 2.379 31.024 ( 2.868 -0.698 -3.126) 4.300 32.487 ( 7.109 -0.353 2.571) 7.568 32.508 ( -5.144 -0.878 0.717) 5.267 32.669 ( 6.928 0.789 6.669) 9.648 32.796 ( -9.543 -2.169 -5.837) 11.395 ======================= Grid point 204 (113/129) ======================= q-point: (-0.42 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -13.416 -0.259 -2.831) 13.714 1.934 ( 1.739 -4.082 -3.235) 5.491 1.956 ( 5.585 -0.215 1.627) 5.821 2.045 ( -7.303 7.594 2.262) 10.776 2.247 ( 2.496 2.147 -7.620) 8.301 2.424 ( -1.835 7.702 6.565) 10.286 2.565 ( -0.807 13.974 -0.812) 14.021 2.618 ( 2.787 11.173 -8.208) 14.141 2.999 ( 4.166 3.532 4.572) 7.123 3.073 ( 1.919 4.207 5.029) 6.832 3.096 ( -2.222 -0.307 1.790) 2.870 3.108 ( -2.893 -0.222 -2.193) 3.637 3.466 ( 0.071 -4.268 2.865) 5.141 3.550 ( 2.277 -4.105 -5.763) 7.433 3.585 ( 2.646 -6.586 -1.679) 7.294 3.641 ( 4.482 -1.271 6.066) 7.648 4.007 ( -3.354 -0.931 2.315) 4.180 4.128 ( 0.971 -2.504 3.330) 4.278 4.233 ( -5.921 -3.962 4.159) 8.249 4.340 ( -0.690 -6.579 0.461) 6.631 4.481 ( -3.443 4.020 2.201) 5.732 4.542 ( -0.641 -0.548 -0.696) 1.094 4.796 ( -0.662 -0.277 -2.691) 2.785 4.838 ( -0.184 -4.205 -2.372) 4.831 5.206 ( -6.707 -5.893 0.359) 8.935 5.416 ( 5.416 1.061 0.545) 5.545 5.461 ( -3.636 -8.788 -3.227) 10.043 5.491 ( -1.785 0.874 1.509) 2.496 6.023 ( -0.982 -1.636 3.410) 3.908 6.083 ( 1.465 -1.343 -1.074) 2.259 6.380 ( 0.992 2.329 -2.406) 3.492 6.521 ( 8.142 4.604 2.242) 9.618 6.919 ( -7.828 1.716 -3.386) 8.699 7.047 ( 3.231 -0.998 2.629) 4.284 7.091 ( -0.380 2.932 0.539) 3.006 7.227 ( 3.269 1.036 1.217) 3.639 8.128 ( 2.759 3.462 0.048) 4.427 8.182 ( 4.539 1.690 -1.302) 5.015 8.572 ( -5.601 -0.488 -3.347) 6.543 8.773 ( 6.263 -3.784 2.175) 7.634 10.059 ( -2.670 0.660 0.488) 2.793 10.067 ( -2.252 1.058 0.288) 2.505 10.128 ( -1.410 -0.307 -1.056) 1.788 10.142 ( -0.789 0.102 0.154) 0.811 10.624 ( -2.500 1.747 0.737) 3.138 10.663 ( 0.062 2.296 -0.669) 2.392 10.838 ( -2.465 -0.817 -0.520) 2.649 10.890 ( 0.056 -0.958 1.017) 1.398 11.553 ( -0.171 1.071 -0.044) 1.086 11.572 ( 1.041 1.333 -0.173) 1.700 11.656 ( -1.568 -0.465 -0.382) 1.680 11.734 ( 3.185 -1.340 0.738) 3.534 14.787 ( -0.173 -0.398 -0.931) 1.027 14.801 ( 0.615 -0.162 0.878) 1.084 14.864 ( -0.779 0.002 -1.357) 1.564 14.916 ( 1.635 -1.144 3.884) 4.367 15.215 ( -1.941 0.621 -1.077) 2.305 15.261 ( 0.659 -0.278 -0.680) 0.986 15.438 ( -0.548 0.259 0.079) 0.611 15.465 ( 0.729 -0.180 0.561) 0.937 17.462 ( -2.239 -0.408 1.987) 3.021 17.479 ( -0.581 -0.430 -1.585) 1.742 17.512 ( -0.421 -0.224 -0.621) 0.783 17.519 ( -0.358 -0.811 1.627) 1.853 18.566 ( -2.364 2.510 0.216) 3.455 18.660 ( 2.929 0.738 1.311) 3.293 18.837 ( -1.389 -1.773 -2.431) 3.314 18.904 ( 2.775 -2.440 0.494) 3.728 27.828 ( -0.417 -0.326 -1.326) 1.428 27.851 ( 0.579 -0.823 1.033) 1.442 27.874 ( -0.532 0.141 0.122) 0.564 27.891 ( 0.614 -0.088 -1.325) 1.463 29.236 ( -2.705 4.498 -1.359) 5.422 29.334 ( 2.954 6.285 1.552) 7.115 29.571 ( -5.762 -2.549 -5.165) 8.148 29.788 ( 6.662 -3.889 4.271) 8.817 30.633 ( -3.229 1.811 -1.634) 4.047 30.701 ( 0.145 0.276 1.917) 1.942 30.957 ( -2.767 0.285 1.374) 3.103 31.045 ( 3.597 -1.674 -2.544) 4.713 32.359 ( -11.063 0.462 -1.993) 11.251 32.502 ( -8.483 -3.769 -5.204) 10.641 32.684 ( 5.318 3.241 0.850) 6.286 32.891 ( 8.780 -2.596 6.819) 11.416 ======================= Grid point 205 (114/129) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -15.022 4.005 2.537) 15.752 1.724 ( -19.590 14.078 -3.517) 24.379 2.011 ( 6.498 -4.278 0.867) 7.828 2.064 ( 5.451 -0.747 2.160) 5.911 2.318 ( 3.373 -4.019 -1.879) 5.573 2.429 ( -5.775 -3.480 5.176) 8.500 2.561 ( 1.628 11.971 2.581) 12.354 2.591 ( 0.119 10.227 -1.580) 10.349 2.947 ( -9.605 -0.685 -2.200) 9.878 3.095 ( -1.430 6.454 0.913) 6.674 3.098 ( -1.411 7.094 2.965) 7.817 3.161 ( 4.095 0.587 2.073) 4.627 3.501 ( 4.679 -4.936 -5.921) 9.018 3.529 ( 5.399 -3.484 -6.395) 9.066 3.662 ( 3.936 -5.329 3.793) 7.634 3.801 ( 5.200 3.105 8.007) 10.040 4.015 ( -1.920 -0.039 4.857) 5.223 4.126 ( -4.969 -1.548 0.504) 5.229 4.176 ( -4.345 -3.192 1.916) 5.722 4.340 ( -1.440 -3.825 4.229) 5.882 4.506 ( -1.906 1.285 5.028) 5.529 4.555 ( 1.777 0.229 7.170) 7.391 4.747 ( 1.010 -3.260 -5.305) 6.308 4.801 ( -2.437 -5.358 0.515) 5.908 5.097 ( -6.794 -8.212 -0.417) 10.666 5.369 ( -3.595 -6.639 -2.356) 7.909 5.491 ( 0.163 3.677 2.961) 4.724 5.528 ( 5.183 2.089 3.120) 6.400 6.059 ( 0.380 -5.182 2.537) 5.782 6.088 ( 1.433 -1.218 -2.131) 2.842 6.390 ( 2.308 2.174 -1.827) 3.659 6.635 ( 2.804 1.536 0.384) 3.220 6.764 ( -4.785 7.608 -3.740) 9.734 7.095 ( 0.364 1.503 -0.361) 1.588 7.135 ( 4.891 -2.221 -1.306) 5.528 7.279 ( 5.097 0.915 -1.769) 5.472 8.189 ( 4.527 2.450 -1.103) 5.264 8.212 ( 1.849 0.442 -3.299) 3.808 8.453 ( -4.220 2.329 -2.773) 5.561 8.847 ( 3.559 -5.291 -4.541) 7.828 10.003 ( -3.992 0.407 0.162) 4.016 10.024 ( -4.870 0.596 1.351) 5.089 10.080 ( -1.720 0.622 -1.584) 2.420 10.137 ( -1.472 -0.182 1.820) 2.348 10.587 ( -3.006 1.148 0.707) 3.294 10.646 ( -1.231 2.262 -0.813) 2.701 10.795 ( -2.260 -0.143 -0.287) 2.282 10.881 ( -2.378 -0.785 0.519) 2.557 11.548 ( 0.211 0.926 -0.738) 1.203 11.590 ( 1.333 2.537 -0.139) 2.869 11.641 ( 0.114 -0.277 0.135) 0.329 11.797 ( 3.952 -1.358 0.135) 4.181 14.771 ( 0.204 -1.002 -1.691) 1.976 14.824 ( 0.708 -1.156 1.182) 1.798 14.856 ( 0.762 1.254 -0.453) 1.535 14.981 ( 1.204 -1.522 2.239) 2.963 15.170 ( -2.202 0.881 -0.168) 2.378 15.250 ( -0.412 0.132 -1.066) 1.151 15.438 ( 0.181 -0.189 0.168) 0.311 15.479 ( 0.333 -0.167 0.479) 0.606 17.437 ( -3.330 -0.672 1.528) 3.725 17.448 ( -1.101 -0.808 -1.328) 1.905 17.500 ( -0.290 0.308 -0.612) 0.744 17.552 ( 0.775 -1.143 4.006) 4.237 18.556 ( -0.648 3.445 2.250) 4.165 18.714 ( 1.894 -0.742 0.605) 2.122 18.784 ( -1.706 -0.366 -1.746) 2.469 18.956 ( 3.349 -2.878 0.223) 4.421 27.806 ( 0.021 0.094 -1.947) 1.949 27.854 ( -0.523 -0.705 -0.999) 1.329 27.868 ( 0.197 -0.076 -0.181) 0.278 27.897 ( 0.620 -0.087 0.940) 1.130 29.184 ( -2.372 3.122 -0.601) 3.967 29.382 ( -1.039 3.056 0.088) 3.229 29.438 ( -1.612 3.675 -3.430) 5.278 29.936 ( 6.944 -4.325 2.794) 8.645 30.560 ( -4.068 2.457 -0.710) 4.806 30.701 ( -3.250 -0.732 1.999) 3.885 30.922 ( -3.640 1.029 1.516) 4.075 31.080 ( 3.901 -2.576 -2.086) 5.120 32.092 ( -17.277 1.079 -4.706) 17.939 32.321 ( -6.663 -4.609 -2.342) 8.434 32.817 ( 8.955 3.326 0.223) 9.555 33.078 ( 7.284 -3.483 2.774) 8.537 ======================= Grid point 206 (115/129) ======================= q-point: (-0.25 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -12.162 9.491 14.666) 21.285 1.456 ( -15.295 14.897 7.834) 22.742 2.059 ( -0.533 -2.007 -2.468) 3.225 2.208 ( 1.697 -2.984 7.495) 8.244 2.298 ( -2.965 -5.378 1.463) 6.314 2.361 ( -8.431 -7.175 3.077) 11.490 2.549 ( -10.190 11.067 7.111) 16.640 2.578 ( -1.245 2.367 -0.335) 2.695 2.844 ( -1.166 2.729 -0.915) 3.106 2.966 ( -10.367 10.076 2.603) 14.689 3.174 ( 5.388 2.440 -3.985) 7.132 3.290 ( 11.067 3.497 5.237) 12.733 3.490 ( 7.540 -3.916 -11.610) 14.387 3.554 ( 4.757 -2.614 -6.636) 8.573 3.684 ( -7.081 -5.716 2.989) 9.578 3.951 ( 0.112 6.580 4.043) 7.724 4.017 ( -4.639 0.210 7.199) 8.567 4.081 ( 2.803 -0.694 -0.316) 2.904 4.153 ( 2.783 1.118 -3.129) 4.335 4.417 ( 1.912 -5.068 8.384) 9.982 4.547 ( -0.715 0.361 5.333) 5.393 4.611 ( -3.897 -3.145 4.323) 6.616 4.754 ( 2.677 -7.653 -3.855) 8.977 4.837 ( 3.020 -2.805 10.565) 11.340 5.021 ( -1.166 -7.353 0.226) 7.448 5.289 ( -3.224 -4.422 -1.831) 5.770 5.549 ( 2.646 6.606 2.359) 7.497 5.665 ( 4.758 2.163 6.393) 8.257 6.071 ( 0.287 -6.397 -1.414) 6.558 6.080 ( 0.691 -1.149 -2.268) 2.635 6.387 ( -0.175 2.632 -2.539) 3.662 6.617 ( -2.725 -0.245 0.309) 2.753 6.695 ( 0.328 11.001 -5.967) 12.519 7.060 ( -1.783 -1.068 -4.067) 4.567 7.143 ( 3.828 -1.859 -9.798) 10.682 7.376 ( 8.806 -1.631 -2.470) 9.290 8.163 ( -2.356 0.496 -4.791) 5.362 8.210 ( 1.280 1.641 -4.049) 4.552 8.398 ( -1.570 3.356 1.361) 3.948 8.746 ( -5.356 -4.361 -11.503) 13.417 9.937 ( -5.347 -0.188 1.267) 5.498 9.947 ( -5.941 -0.020 0.948) 6.016 10.074 ( 1.459 0.011 2.012) 2.485 10.143 ( -0.505 -0.328 2.640) 2.708 10.548 ( -2.591 0.465 0.526) 2.684 10.608 ( -2.083 1.452 -1.000) 2.729 10.758 ( -2.196 0.285 -0.256) 2.229 10.829 ( -4.286 -0.504 0.043) 4.316 11.547 ( 0.918 1.225 -0.912) 1.782 11.608 ( 1.389 4.119 -0.703) 4.403 11.665 ( 2.284 -0.547 0.579) 2.419 11.856 ( 3.764 -1.100 -0.967) 4.039 14.758 ( 0.668 -1.372 -1.989) 2.507 14.841 ( -0.022 -2.676 0.356) 2.700 14.871 ( 1.683 2.353 -0.434) 2.925 14.983 ( -0.848 1.101 -1.445) 2.005 15.159 ( -1.109 -0.914 2.507) 2.890 15.236 ( -0.035 0.716 -0.391) 0.816 15.440 ( -0.025 -0.985 -0.081) 0.988 15.486 ( -0.209 -0.231 0.419) 0.523 17.398 ( -3.169 -0.641 1.111) 3.418 17.417 ( -1.141 -0.975 -0.883) 1.741 17.491 ( 0.299 0.943 -0.821) 1.286 17.627 ( 2.093 -3.085 3.885) 5.385 18.590 ( 0.643 5.108 2.930) 5.924 18.719 ( -0.453 -0.485 0.906) 1.123 18.771 ( 0.218 -0.348 0.547) 0.684 19.018 ( 3.912 -3.126 0.535) 5.037 27.795 ( 1.107 0.399 -1.033) 1.566 27.829 ( -0.776 -0.022 -1.269) 1.488 27.874 ( 0.880 0.137 -0.068) 0.893 27.924 ( 0.581 -0.594 1.894) 2.069 29.148 ( -2.012 2.177 0.458) 2.999 29.294 ( -4.505 -0.889 -0.392) 4.609 29.464 ( 2.916 11.015 -0.310) 11.398 30.080 ( 7.877 -4.743 2.337) 9.487 30.488 ( -4.814 2.355 0.518) 5.384 30.637 ( -6.977 -1.179 1.278) 7.190 30.875 ( -4.191 1.890 1.147) 4.738 31.106 ( 1.479 -3.450 -2.554) 4.540 31.748 ( -17.432 2.247 -4.955) 18.262 32.232 ( -5.261 -10.584 2.631) 12.109 32.962 ( 10.855 4.007 -2.934) 11.937 33.163 ( 4.113 -1.562 -4.797) 6.509 ======================= Grid point 207 (116/129) ======================= q-point: (-0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -9.818 7.797 23.213) 26.383 1.419 ( -9.088 14.087 18.482) 24.953 1.971 ( -6.111 -4.122 -0.310) 7.378 2.156 ( -10.851 -4.297 2.201) 11.876 2.217 ( -13.704 -5.413 9.286) 17.416 2.318 ( -0.779 4.975 0.870) 5.110 2.535 ( -4.008 2.744 1.997) 5.252 2.558 ( 1.515 4.862 4.099) 6.538 2.820 ( -6.729 8.939 6.011) 12.701 2.900 ( 0.209 4.607 1.740) 4.929 3.150 ( 3.092 -0.000 -9.437) 9.930 3.464 ( 0.289 -6.838 -7.455) 10.120 3.487 ( 6.865 -2.584 -8.529) 11.250 3.567 ( -4.586 -5.078 2.972) 7.460 3.681 ( 12.601 6.244 7.752) 16.059 3.820 ( -9.422 6.458 -5.656) 12.746 4.098 ( -2.166 -3.274 10.460) 11.173 4.158 ( 7.353 2.518 -2.920) 8.303 4.208 ( 8.808 4.751 -3.041) 10.459 4.523 ( -0.942 -3.202 -0.599) 3.391 4.536 ( -1.111 -1.952 8.626) 8.914 4.686 ( 0.694 -6.898 6.342) 9.396 4.808 ( 7.184 -8.490 5.174) 12.267 4.994 ( 3.604 -2.367 5.185) 6.743 5.065 ( 0.756 -5.001 5.310) 7.333 5.237 ( -1.640 -3.474 -0.007) 3.842 5.600 ( 1.429 10.111 -0.746) 10.238 5.787 ( 1.879 2.467 3.636) 4.779 6.054 ( 0.255 -2.282 -3.392) 4.096 6.065 ( 1.136 -3.948 -0.275) 4.117 6.324 ( -2.386 2.853 -4.634) 5.942 6.582 ( -2.729 1.635 -2.796) 4.236 6.605 ( -0.598 7.389 -6.161) 9.639 6.958 ( -0.974 -3.937 -8.873) 9.756 7.057 ( 1.012 1.599 -11.785) 11.936 7.427 ( 3.035 -4.296 -9.842) 11.159 8.044 ( -4.205 1.519 -3.832) 5.888 8.154 ( -2.853 0.885 -3.529) 4.624 8.399 ( -2.294 1.067 0.990) 2.717 8.481 ( -9.869 0.687 -6.593) 11.889 9.866 ( -4.688 0.259 1.188) 4.843 9.880 ( -4.246 0.296 1.984) 4.696 10.140 ( 1.543 -2.249 3.496) 4.434 10.211 ( 4.165 -1.878 4.406) 6.347 10.522 ( -0.891 -0.320 -0.131) 0.956 10.566 ( -1.674 -0.437 -0.551) 1.816 10.713 ( -3.396 -0.228 -0.085) 3.405 10.759 ( -3.606 -0.335 -0.573) 3.667 11.556 ( 1.308 1.705 -0.865) 2.316 11.615 ( 0.962 4.894 -1.353) 5.168 11.722 ( 3.951 -1.239 0.214) 4.146 11.888 ( 2.369 -0.976 -2.281) 3.430 14.743 ( -0.109 -0.655 -1.421) 1.569 14.831 ( -0.250 -2.065 -0.796) 2.227 14.897 ( 2.312 2.525 -0.640) 3.483 14.962 ( -0.068 1.947 -0.437) 1.996 15.172 ( -0.848 -1.102 2.437) 2.805 15.238 ( 0.187 0.777 -0.007) 0.799 15.436 ( -0.251 -1.715 -0.230) 1.748 15.479 ( -1.191 -0.647 0.410) 1.416 17.366 ( -2.186 -0.508 1.041) 2.474 17.395 ( -0.541 -1.220 -0.659) 1.488 17.492 ( 1.120 1.249 -0.930) 1.918 17.666 ( -0.529 -4.319 -0.329) 4.364 18.609 ( -0.971 5.131 1.116) 5.340 18.753 ( 0.810 1.461 -1.491) 2.239 18.815 ( 3.803 -1.455 6.983) 8.084 19.086 ( 3.465 -2.949 0.623) 4.593 27.806 ( -0.446 0.321 -0.902) 1.056 27.816 ( 1.732 -0.076 -0.227) 1.748 27.901 ( 2.045 0.350 0.934) 2.276 27.952 ( 0.276 -0.527 1.614) 1.720 29.134 ( -1.261 2.051 1.847) 3.034 29.278 ( 0.023 -1.112 3.993) 4.145 29.509 ( 4.397 13.547 -0.308) 14.246 30.238 ( 7.426 -6.010 2.912) 9.987 30.428 ( -3.159 2.038 1.258) 3.965 30.520 ( -8.431 -0.547 0.554) 8.467 30.814 ( -4.461 1.966 0.221) 4.880 31.016 ( -9.788 -1.920 -3.668) 10.628 31.501 ( -5.323 0.299 -3.197) 6.216 32.177 ( -9.416 -20.357 5.708) 23.144 33.052 ( 4.193 9.050 -9.369) 13.685 33.130 ( 6.098 2.635 -7.732) 10.194 ======================= Grid point 208 (117/129) ======================= q-point: (-0.08 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -10.325 6.373 22.659) 25.703 1.538 ( -3.623 10.366 20.980) 23.680 1.899 ( -1.168 -3.340 -1.925) 4.028 2.065 ( -3.257 -3.018 5.396) 6.988 2.134 ( -7.854 -2.789 7.413) 11.154 2.324 ( 0.397 -0.713 -2.027) 2.185 2.497 ( -1.468 7.225 -2.873) 7.912 2.594 ( -0.245 3.378 0.216) 3.394 2.788 ( -9.387 9.345 9.897) 16.535 2.911 ( -0.714 0.404 -2.755) 2.875 3.139 ( 5.044 3.537 -1.013) 6.244 3.390 ( 1.778 -3.272 -3.814) 5.331 3.473 ( -2.327 -2.091 1.804) 3.611 3.579 ( 5.668 2.002 -3.150) 6.786 3.603 ( -7.306 5.037 -6.028) 10.727 3.846 ( -2.305 1.306 0.475) 2.691 4.167 ( -1.957 -5.593 7.959) 9.922 4.286 ( 7.374 0.301 1.187) 7.475 4.349 ( 13.383 2.037 -2.395) 13.747 4.539 ( 2.827 -3.489 2.641) 5.209 4.627 ( 1.380 -3.235 7.954) 8.697 4.769 ( 3.170 -5.911 4.153) 7.889 4.978 ( 1.314 -8.057 2.098) 8.429 5.081 ( -2.906 2.723 7.517) 8.507 5.120 ( 5.721 -3.200 0.747) 6.598 5.226 ( -2.155 -0.657 1.957) 2.984 5.559 ( -0.717 8.376 -5.103) 9.834 5.778 ( -4.717 1.812 -0.508) 5.079 6.024 ( 1.861 -0.403 -5.593) 5.908 6.078 ( -1.251 -4.580 -0.292) 4.757 6.238 ( 0.015 2.231 -4.508) 5.029 6.500 ( 1.758 9.852 -3.640) 10.649 6.533 ( -5.613 -2.967 -1.889) 6.624 6.852 ( -0.840 -2.988 -8.291) 8.853 6.929 ( -0.324 1.778 -9.505) 9.675 7.232 ( -6.888 -1.037 -13.370) 15.076 8.008 ( 1.546 -0.067 -0.361) 1.589 8.061 ( -4.140 -0.334 -1.118) 4.302 8.296 ( -4.358 2.984 0.292) 5.290 8.403 ( -1.893 -0.015 -0.994) 2.138 9.828 ( -2.112 1.499 1.819) 3.165 9.853 ( -1.729 1.560 1.385) 2.709 10.212 ( 2.174 -3.202 4.359) 5.830 10.311 ( 2.073 -2.167 2.718) 4.048 10.511 ( -0.450 0.031 -0.060) 0.455 10.557 ( 1.367 -4.269 -0.813) 4.556 10.656 ( -3.579 -0.927 0.747) 3.772 10.706 ( -1.922 -1.100 -1.453) 2.648 11.567 ( 1.040 2.186 -0.546) 2.482 11.608 ( 0.129 4.500 -1.490) 4.742 11.781 ( 3.084 -2.711 -0.239) 4.113 11.880 ( 0.425 -1.441 -2.949) 3.310 14.742 ( 0.905 0.455 0.827) 1.307 14.824 ( 0.371 -1.671 -1.054) 2.011 14.927 ( 1.963 2.081 -0.461) 2.898 14.959 ( -0.408 1.266 -0.072) 1.332 15.190 ( -0.176 -0.003 2.210) 2.217 15.237 ( 0.017 1.479 -0.364) 1.523 15.431 ( 0.270 -1.941 -0.356) 1.991 15.458 ( -2.027 -1.234 0.505) 2.426 17.354 ( -0.821 -0.469 1.053) 1.415 17.384 ( 0.012 -1.281 -0.608) 1.418 17.505 ( 1.656 0.789 -0.815) 2.007 17.611 ( -4.121 -2.576 -1.550) 5.101 18.605 ( -1.269 4.217 1.861) 4.781 18.723 ( -0.548 1.156 -3.068) 3.324 18.976 ( 5.624 -1.543 4.965) 7.659 19.129 ( 1.408 -2.532 -0.317) 2.914 27.796 ( -0.081 0.590 -0.104) 0.604 27.830 ( 0.740 0.041 -1.019) 1.260 27.946 ( 1.475 -0.604 1.015) 1.890 27.969 ( 0.400 -0.305 0.574) 0.763 29.153 ( 0.194 3.215 3.096) 4.468 29.318 ( -0.042 1.836 -0.354) 1.870 29.682 ( 15.696 8.061 4.833) 18.294 30.288 ( -6.574 -5.633 1.562) 8.797 30.417 ( -3.370 1.997 0.842) 4.006 30.481 ( 7.850 -0.794 1.163) 7.975 30.710 ( -10.721 -0.250 -1.609) 10.844 30.780 ( -9.130 1.729 -2.738) 9.687 31.502 ( 6.481 -4.567 -0.336) 7.936 32.001 ( -18.615 -22.220 2.615) 29.104 32.970 ( -0.069 15.958 -3.817) 16.408 33.164 ( 6.442 3.514 -8.897) 11.532 ======================= Grid point 209 (118/129) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -4.008 8.309 12.977) 15.921 1.788 ( 0.483 -1.850 7.837) 8.067 1.936 ( 3.273 0.869 1.235) 3.605 2.032 ( 2.539 -7.193 3.292) 8.308 2.158 ( 0.170 2.417 16.264) 16.444 2.218 ( -0.973 -2.042 8.533) 8.828 2.594 ( -1.561 6.371 -17.161) 18.372 2.640 ( -0.033 3.275 -19.133) 19.411 2.790 ( -0.195 5.003 1.344) 5.184 2.866 ( -1.591 0.529 -5.068) 5.338 3.327 ( 1.051 3.296 9.313) 9.935 3.434 ( 1.785 -5.499 1.400) 5.949 3.567 ( 3.938 6.390 6.294) 9.795 3.571 ( -0.937 4.726 6.494) 8.086 3.715 ( 0.815 2.331 -1.990) 3.172 3.730 ( -6.742 0.038 -3.749) 7.714 4.156 ( -2.048 0.155 7.997) 8.257 4.250 ( -3.771 -5.005 4.037) 7.454 4.333 ( -2.102 -7.373 1.045) 7.738 4.387 ( 1.539 -7.995 -1.012) 8.205 4.803 ( -1.461 3.862 2.541) 4.848 4.849 ( 0.440 0.185 -1.862) 1.922 5.017 ( 1.625 4.193 2.706) 5.248 5.087 ( 4.948 4.210 -2.222) 6.866 5.166 ( 1.980 -6.850 0.406) 7.142 5.189 ( 3.690 -4.043 -0.592) 5.506 5.602 ( -0.969 1.928 -0.313) 2.181 5.634 ( -8.785 -0.861 -2.386) 9.144 6.004 ( 2.315 2.094 2.002) 3.709 6.044 ( 1.926 -0.991 1.001) 2.386 6.250 ( -0.114 1.348 -3.081) 3.365 6.304 ( -4.801 -3.390 -6.152) 8.508 6.698 ( 2.941 5.629 2.124) 6.697 6.774 ( 2.169 -0.642 -2.315) 3.236 6.887 ( -0.666 2.701 -5.680) 6.324 6.972 ( -3.639 -3.755 -10.406) 11.646 8.019 ( 0.492 0.434 -0.503) 0.827 8.028 ( 2.198 -0.439 -1.463) 2.677 8.329 ( 0.281 1.222 0.606) 1.393 8.346 ( -1.105 -0.466 -1.014) 1.571 9.898 ( 0.173 3.234 2.201) 3.916 9.910 ( 0.418 2.465 1.100) 2.731 10.211 ( 0.736 -3.062 2.521) 4.034 10.236 ( -1.135 -5.232 0.094) 5.355 10.507 ( -0.668 0.560 0.842) 1.212 10.523 ( 1.270 -0.949 -0.640) 1.710 10.616 ( -0.624 -0.166 0.791) 1.021 10.631 ( -0.635 -1.524 -0.653) 1.776 11.641 ( 0.826 3.503 0.775) 3.682 11.666 ( -0.727 3.160 -1.475) 3.562 11.746 ( 0.611 -2.612 -0.136) 2.685 11.779 ( -1.273 -3.718 -3.115) 5.015 14.776 ( 0.516 0.160 0.479) 0.721 14.786 ( -0.118 -0.900 -0.615) 1.096 14.960 ( -1.548 0.890 0.896) 1.998 14.968 ( -0.594 0.233 0.201) 0.669 15.245 ( -0.293 2.161 1.407) 2.596 15.268 ( 1.262 0.553 -0.864) 1.626 15.395 ( -0.836 -1.083 0.257) 1.392 15.407 ( 1.408 -1.722 -0.842) 2.378 17.352 ( 0.177 -0.146 0.459) 0.513 17.358 ( 0.281 -0.806 -0.222) 0.882 17.523 ( -1.853 -0.149 0.144) 1.865 17.524 ( 0.085 -0.216 0.035) 0.235 18.688 ( -0.682 3.062 1.511) 3.482 18.714 ( -0.431 0.728 -1.001) 1.310 19.045 ( 1.494 -0.717 1.342) 2.133 19.067 ( -0.277 -2.550 -0.900) 2.719 27.817 ( 0.021 0.901 0.600) 1.083 27.828 ( 0.110 -0.068 -0.411) 0.431 27.952 ( -0.167 -0.012 0.373) 0.409 27.963 ( 0.497 -0.892 -0.589) 1.178 29.317 ( 2.161 4.850 3.127) 6.162 29.354 ( 0.132 1.600 -0.476) 1.674 30.022 ( 8.113 -0.096 0.275) 8.118 30.050 ( -6.008 -2.622 -2.450) 6.998 30.514 ( 2.014 3.522 1.589) 4.357 30.535 ( -2.071 1.630 -0.611) 2.706 30.594 ( 5.866 -1.984 0.254) 6.198 30.610 ( -7.965 -3.020 -1.221) 8.606 31.501 ( -1.839 -2.810 4.636) 5.725 31.551 ( 1.865 -7.025 -0.486) 7.285 33.160 ( -1.175 5.847 -1.501) 6.150 33.198 ( -0.077 1.776 -5.081) 5.383 ======================= Grid point 210 (119/129) ======================= q-point: ( 0.08 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.785 7.792 8.097) 11.578 1.887 ( 11.330 2.889 -8.196) 14.279 1.977 ( 0.233 -7.223 6.213) 9.530 2.020 ( 3.562 -5.023 -12.126) 13.600 2.255 ( -2.010 4.454 -0.194) 4.891 2.325 ( 0.117 -1.541 -8.012) 8.160 2.489 ( 2.095 6.460 7.808) 10.348 2.553 ( 5.419 1.124 4.064) 6.866 2.805 ( 0.455 6.114 0.098) 6.131 2.887 ( 5.245 -1.193 3.513) 6.425 3.379 ( -1.828 2.884 -6.490) 7.333 3.445 ( 1.767 -3.810 0.652) 4.250 3.507 ( -7.819 7.092 -3.140) 11.013 3.588 ( -1.633 0.566 -0.638) 1.842 3.698 ( 1.816 4.956 2.309) 5.761 3.791 ( 4.161 -1.224 4.807) 6.475 4.144 ( -6.989 0.513 3.454) 7.813 4.242 ( -4.643 -5.159 4.270) 8.149 4.294 ( -0.733 -0.528 0.288) 0.948 4.431 ( 3.161 -11.221 0.282) 11.661 4.738 ( -14.152 4.560 0.265) 14.871 4.749 ( -12.388 7.748 -1.082) 14.651 4.856 ( -1.020 -3.660 0.232) 3.806 5.017 ( -8.233 -11.782 -5.149) 15.268 5.250 ( 5.852 0.889 -5.782) 8.275 5.270 ( 4.396 -1.192 -4.966) 6.738 5.604 ( 3.481 7.224 7.513) 10.988 5.727 ( 7.487 -4.534 7.682) 11.646 6.000 ( -1.588 3.057 -4.513) 5.678 6.046 ( -0.303 -1.176 -3.384) 3.595 6.227 ( 1.401 5.404 4.306) 7.050 6.355 ( 6.696 -6.693 5.361) 10.880 6.673 ( -3.197 5.288 -5.320) 8.154 6.747 ( -1.494 -0.662 -3.395) 3.767 6.881 ( 1.848 2.709 1.877) 3.778 6.964 ( 4.181 -3.915 7.521) 9.454 8.025 ( 1.672 1.117 -1.588) 2.562 8.051 ( 3.321 -1.287 -2.005) 4.087 8.348 ( 2.074 1.418 0.199) 2.521 8.368 ( 2.682 -0.616 1.248) 3.022 9.906 ( 0.281 2.955 -0.585) 3.025 9.921 ( 0.667 2.008 -0.728) 2.238 10.202 ( -1.966 -2.601 -0.994) 3.408 10.231 ( -1.362 -4.962 1.191) 5.281 10.508 ( 0.269 1.117 0.376) 1.209 10.532 ( 1.516 -1.054 -1.133) 2.166 10.644 ( 2.332 -0.286 1.000) 2.553 10.651 ( 2.793 -1.110 0.751) 3.098 11.628 ( -1.661 3.582 -1.090) 4.096 11.662 ( 0.039 2.989 1.044) 3.166 11.725 ( -2.161 -2.443 -0.714) 3.339 11.767 ( -0.024 -3.853 2.155) 4.415 14.768 ( -1.060 0.289 -0.759) 1.335 14.781 ( -0.400 -1.014 0.186) 1.106 14.943 ( -2.331 1.702 1.897) 3.454 14.963 ( -0.994 -0.196 1.278) 1.630 15.231 ( -1.409 1.578 -0.319) 2.139 15.263 ( -0.576 -0.818 -1.195) 1.559 15.399 ( 1.239 0.629 -0.102) 1.394 15.434 ( 2.415 -2.119 -0.678) 3.283 17.360 ( 0.585 -0.323 -0.138) 0.682 17.362 ( 0.893 -0.558 -0.547) 1.186 17.507 ( -1.076 1.422 1.267) 2.187 17.540 ( 0.653 -1.838 1.350) 2.372 18.700 ( -0.145 2.167 0.788) 2.310 18.707 ( 0.300 1.723 0.930) 1.981 19.027 ( -2.554 -0.338 -2.200) 3.388 19.057 ( -1.002 -2.999 0.092) 3.163 27.820 ( -0.332 0.469 -0.147) 0.593 27.821 ( -0.308 0.372 -0.110) 0.495 27.948 ( -0.703 0.219 0.023) 0.737 27.962 ( 0.236 -1.089 -0.573) 1.253 29.311 ( -1.518 4.585 -3.108) 5.743 29.358 ( 0.331 0.779 -0.864) 1.209 29.909 ( -7.302 9.000 -1.764) 11.723 30.129 ( 2.808 -11.629 0.038) 11.963 30.446 ( -1.859 1.620 0.212) 2.475 30.482 ( -2.064 -1.913 -0.990) 2.984 30.707 ( 10.939 1.639 1.280) 11.135 30.732 ( 7.732 -0.933 1.801) 7.993 31.499 ( 2.167 4.787 -0.238) 5.260 31.686 ( 11.913 -13.309 -0.678) 17.875 33.112 ( -6.171 3.826 3.360) 8.001 33.121 ( -5.223 3.141 -0.239) 6.099 ======================= Grid point 211 (120/129) ======================= q-point: ( 0.17 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 5.911 6.598 -12.539) 15.352 1.934 ( 9.010 6.077 -7.708) 13.324 1.996 ( 8.719 -1.108 -5.413) 10.323 2.054 ( 7.520 -5.209 -6.580) 11.269 2.215 ( -1.029 -0.695 -0.447) 1.320 2.282 ( 4.614 -6.498 -2.910) 8.484 2.646 ( 0.745 7.300 11.932) 14.008 2.696 ( 3.363 5.726 5.263) 8.474 2.855 ( -0.034 4.848 6.653) 8.232 2.986 ( 2.033 -4.876 0.272) 5.290 3.219 ( -6.091 7.124 -9.894) 13.629 3.287 ( -5.176 1.439 -0.568) 5.402 3.494 ( -2.546 0.130 -4.137) 4.860 3.556 ( 0.751 -6.057 -4.806) 7.769 3.780 ( 4.254 4.852 6.430) 9.109 3.881 ( 0.575 -3.516 3.006) 4.662 4.092 ( -1.365 5.681 0.798) 5.897 4.204 ( -1.946 -2.396 2.613) 4.044 4.286 ( -3.585 6.618 -1.121) 7.609 4.450 ( -15.328 1.497 4.025) 15.918 4.467 ( 3.139 -7.026 -3.205) 8.336 4.631 ( -6.781 -8.446 -1.968) 11.008 4.788 ( -3.420 -0.178 -3.828) 5.136 4.899 ( -2.013 -8.175 -0.825) 8.459 5.208 ( 0.276 0.273 -7.698) 7.708 5.233 ( 0.139 -2.465 -6.650) 7.094 5.772 ( 3.615 9.211 5.705) 11.422 5.881 ( 2.567 0.258 1.782) 3.135 5.952 ( -0.951 -0.030 0.272) 0.990 6.001 ( 0.642 -4.632 -2.225) 5.179 6.349 ( 4.729 7.580 4.527) 10.015 6.495 ( 4.671 -6.391 1.342) 8.029 6.604 ( -1.516 5.375 2.611) 6.165 6.699 ( -1.872 -4.526 3.702) 6.140 6.978 ( 1.145 6.809 7.569) 10.245 7.117 ( 1.068 -6.056 9.918) 11.669 8.047 ( 2.995 2.144 -0.416) 3.706 8.096 ( 3.770 -2.399 -0.346) 4.482 8.411 ( 3.919 1.502 1.917) 4.614 8.429 ( 2.771 -0.192 1.993) 3.418 9.914 ( 2.522 1.499 -1.645) 3.364 9.927 ( 2.412 0.461 -1.707) 2.991 10.158 ( -1.737 -0.589 -1.466) 2.349 10.195 ( -2.832 -3.745 -0.706) 4.749 10.533 ( 2.382 1.523 0.166) 2.832 10.558 ( 2.966 -0.777 -0.655) 3.135 10.701 ( 2.948 0.270 1.197) 3.194 10.716 ( 3.582 -1.232 1.367) 4.027 11.593 ( -1.865 2.935 -0.190) 3.483 11.651 ( -1.787 -1.783 -0.346) 2.548 11.704 ( -1.732 3.315 2.081) 4.280 11.786 ( -1.390 -3.724 2.781) 4.851 14.741 ( -1.348 0.972 -0.205) 1.674 14.772 ( -0.874 -2.047 0.346) 2.253 14.933 ( -1.787 2.847 2.140) 3.985 14.966 ( -0.717 -0.298 1.599) 1.777 15.206 ( -0.296 0.575 -1.377) 1.521 15.235 ( -0.693 -1.849 -1.358) 2.396 15.420 ( 1.243 1.327 -0.035) 1.818 15.459 ( 1.446 -2.021 -0.476) 2.530 17.372 ( 1.500 -0.149 -0.389) 1.557 17.378 ( 1.950 -0.637 -0.683) 2.162 17.510 ( -0.684 2.466 1.401) 2.917 17.567 ( 0.226 -3.194 1.759) 3.653 18.706 ( 0.520 2.892 0.092) 2.939 18.734 ( 0.539 0.581 1.935) 2.091 18.937 ( -4.212 2.034 -3.929) 6.108 19.017 ( -3.143 -4.853 -1.174) 5.900 27.810 ( -0.255 0.319 -0.337) 0.529 27.813 ( -0.784 0.020 -0.022) 0.784 27.929 ( -1.223 0.990 -0.609) 1.687 27.954 ( -0.338 -1.384 -0.845) 1.656 29.256 ( -0.222 4.141 -3.613) 5.500 29.323 ( -0.543 -2.181 -3.696) 4.326 29.797 ( -5.784 14.898 0.310) 15.985 30.085 ( -6.820 -12.882 -0.022) 14.576 30.474 ( 4.479 1.835 -0.378) 4.855 30.517 ( 6.601 -2.286 -1.556) 7.157 30.848 ( 6.219 1.720 0.872) 6.511 30.891 ( 6.563 -2.373 3.294) 7.717 31.594 ( 11.176 10.407 -1.706) 15.366 31.874 ( 13.184 -17.176 -2.626) 21.811 33.036 ( -9.003 3.286 5.451) 11.026 33.049 ( -7.341 2.013 5.365) 9.313 ======================= Grid point 212 (121/129) ======================= q-point: ( 0.25 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 7.285 12.145 -12.322) 18.773 1.946 ( 4.558 12.744 -12.777) 18.612 2.069 ( 7.853 -9.350 -4.552) 13.031 2.106 ( 7.785 -2.578 -6.809) 10.659 2.225 ( -0.333 -4.182 2.063) 4.675 2.255 ( -5.908 -8.711 -2.279) 10.769 2.741 ( 1.267 11.958 0.031) 12.025 2.807 ( 5.970 6.329 4.950) 10.010 2.915 ( -1.846 1.432 4.409) 4.990 3.012 ( 0.222 -5.359 7.649) 9.343 3.088 ( -4.221 6.070 0.911) 7.449 3.260 ( 0.283 -4.199 0.021) 4.209 3.387 ( -2.927 2.475 -6.390) 7.451 3.481 ( -4.015 -3.920 -1.054) 5.710 3.842 ( -0.341 4.137 -2.226) 4.710 3.936 ( 1.227 -4.349 4.060) 6.075 4.138 ( 3.650 9.939 -2.476) 10.874 4.170 ( -6.345 6.803 4.754) 10.447 4.216 ( 1.515 1.360 -5.528) 5.891 4.349 ( -6.864 -7.783 7.070) 12.557 4.453 ( 0.772 -5.842 -4.460) 7.390 4.519 ( 1.073 -12.042 -6.444) 13.700 4.749 ( 1.680 5.916 -0.715) 6.191 4.883 ( 0.439 -6.396 -0.726) 6.452 5.090 ( -1.897 1.072 -9.685) 9.927 5.165 ( 1.260 -6.067 -6.046) 8.657 5.789 ( -1.391 7.764 -4.342) 9.003 5.864 ( -2.451 2.562 -5.393) 6.455 5.957 ( -1.282 -2.309 1.760) 3.174 5.990 ( 0.865 -3.732 0.327) 3.845 6.442 ( 3.191 5.868 0.459) 6.695 6.558 ( 3.045 -5.028 -0.178) 5.881 6.692 ( 0.799 5.309 11.143) 12.369 6.780 ( -0.094 -4.075 12.153) 12.818 7.060 ( -0.774 5.964 6.685) 8.993 7.193 ( -3.174 -6.218 6.957) 9.856 8.104 ( 1.542 1.836 2.716) 3.623 8.142 ( 0.387 -1.749 1.830) 2.561 8.476 ( 1.663 3.300 2.083) 4.242 8.530 ( 4.074 -2.016 5.012) 6.766 9.955 ( 4.291 0.474 -0.843) 4.398 9.966 ( 4.389 -0.601 -1.381) 4.640 10.117 ( -0.971 1.175 -1.324) 2.019 10.155 ( -0.314 -2.251 -1.300) 2.618 10.579 ( 3.142 1.757 -0.104) 3.601 10.605 ( 3.344 -0.590 -0.154) 3.399 10.758 ( 2.228 1.118 1.312) 2.817 10.788 ( 3.144 -1.716 1.526) 3.893 11.566 ( -1.547 2.284 0.437) 2.793 11.616 ( -1.915 -2.457 -0.030) 3.115 11.696 ( -2.081 4.593 1.642) 5.303 11.780 ( -2.751 -3.419 1.998) 4.822 14.727 ( -0.796 1.063 0.816) 1.559 14.767 ( -0.486 -2.866 0.807) 3.017 14.929 ( -1.250 3.458 1.151) 3.853 14.973 ( -0.515 -0.607 1.196) 1.437 15.193 ( 0.803 0.236 -1.686) 1.882 15.218 ( 0.222 -1.955 -0.732) 2.099 15.435 ( 0.492 1.309 0.211) 1.414 15.469 ( 0.338 -1.705 -0.146) 1.744 17.398 ( 2.072 0.143 -0.331) 2.103 17.408 ( 2.852 -0.865 -0.888) 3.110 17.514 ( -0.424 2.783 0.893) 2.953 17.579 ( -0.602 -3.657 0.739) 3.779 18.713 ( 0.366 2.994 -0.564) 3.069 18.759 ( 0.475 -1.066 0.472) 1.259 18.820 ( -3.929 4.679 -4.004) 7.305 18.942 ( -3.760 -5.978 -1.522) 7.224 27.798 ( -0.850 0.501 0.020) 0.987 27.808 ( 0.004 -0.440 0.269) 0.516 27.900 ( -1.035 1.488 -0.892) 2.020 27.932 ( -0.755 -1.584 -1.282) 2.173 29.233 ( 1.521 3.458 -2.180) 4.362 29.291 ( 1.573 -2.187 -2.514) 3.685 29.719 ( -4.807 13.687 0.307) 14.510 29.962 ( -7.641 -9.968 -0.257) 12.563 30.546 ( 4.576 2.722 -0.198) 5.328 30.614 ( 6.658 -3.737 -1.214) 7.731 30.935 ( 4.028 2.417 -0.200) 4.702 30.990 ( 2.742 -2.980 1.441) 4.298 31.804 ( 15.418 9.216 0.214) 17.963 32.035 ( 10.681 -13.416 -2.232) 17.293 32.951 ( -9.404 3.830 5.739) 11.664 33.010 ( -6.206 -1.926 6.380) 9.107 ======================= Grid point 213 (122/129) ======================= q-point: ( 0.33 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 1.503 13.381 -11.538) 17.732 1.940 ( 5.482 8.987 -2.262) 10.768 2.007 ( -4.185 -9.054 -9.797) 13.981 2.105 ( 1.340 -1.199 -2.378) 2.981 2.189 ( -1.524 -1.164 2.113) 2.854 2.297 ( 6.527 -8.464 3.163) 11.146 2.781 ( 3.803 12.203 0.651) 12.798 2.908 ( 0.759 11.141 0.351) 11.172 2.945 ( 4.270 -0.890 0.134) 4.364 3.060 ( -4.071 3.132 6.075) 7.956 3.123 ( -1.556 -8.584 10.142) 13.378 3.232 ( -3.457 -3.592 -2.191) 5.445 3.311 ( 0.950 5.640 -2.416) 6.209 3.422 ( -3.020 -3.192 -0.816) 4.469 3.772 ( -3.587 3.956 -5.256) 7.493 3.903 ( -8.514 -6.539 -0.671) 10.756 4.114 ( -0.763 6.003 0.285) 6.058 4.125 ( -0.191 4.381 -3.822) 5.817 4.231 ( 4.038 -1.884 -4.119) 6.068 4.286 ( -5.536 -8.278 0.181) 9.960 4.482 ( 5.792 -2.278 -0.967) 6.298 4.546 ( 5.777 -5.686 -0.808) 8.146 4.768 ( 2.499 5.348 -4.008) 7.135 4.855 ( -0.258 -2.250 -6.205) 6.605 5.023 ( 5.969 1.020 -3.260) 6.877 5.159 ( 3.868 -10.492 -2.362) 11.429 5.684 ( -1.796 3.765 -8.118) 9.127 5.707 ( -4.540 1.636 -9.581) 10.728 5.973 ( -0.574 0.020 3.220) 3.271 6.014 ( 0.012 -3.276 1.842) 3.759 6.459 ( -0.721 5.787 -0.449) 5.849 6.582 ( 0.115 -5.854 -0.793) 5.908 6.811 ( -0.074 7.161 9.334) 11.765 6.929 ( -0.379 -4.528 12.123) 12.947 7.115 ( 0.212 4.415 3.959) 5.934 7.202 ( -2.045 -3.506 3.321) 5.244 8.135 ( -2.159 0.553 3.707) 4.325 8.150 ( -2.471 -0.693 3.345) 4.216 8.519 ( 0.564 5.998 2.471) 6.511 8.633 ( 0.642 -5.020 5.363) 7.374 10.016 ( 3.312 0.392 -0.003) 3.335 10.025 ( 3.611 -0.481 0.408) 3.666 10.112 ( 1.967 1.968 -1.147) 3.009 10.151 ( 1.398 -1.718 -1.423) 2.633 10.627 ( 2.890 1.932 -0.089) 3.478 10.655 ( 2.736 -0.448 0.121) 2.775 10.799 ( 1.192 1.729 1.118) 2.379 10.843 ( 1.570 -2.247 1.235) 3.007 11.555 ( -0.731 1.751 0.868) 2.086 11.594 ( -1.034 -1.938 0.351) 2.224 11.675 ( -1.897 3.852 0.548) 4.328 11.747 ( -3.127 -2.969 0.747) 4.376 14.733 ( -0.082 0.957 1.496) 1.778 14.773 ( -0.157 -2.844 0.922) 2.994 14.914 ( -1.300 3.314 -0.206) 3.565 14.968 ( -1.111 -1.795 -0.086) 2.112 15.197 ( 1.591 0.829 -0.856) 1.988 15.225 ( 0.888 -1.509 0.034) 1.752 15.441 ( -0.080 1.136 0.329) 1.185 15.469 ( -0.325 -1.299 0.047) 1.340 17.427 ( 1.873 0.369 -0.125) 1.913 17.443 ( 2.572 -1.155 -0.855) 2.947 17.517 ( 0.161 2.088 0.115) 2.097 17.565 ( -0.861 -2.579 -0.822) 2.840 18.692 ( -0.874 3.151 -2.828) 4.323 18.724 ( -0.929 -0.158 -2.796) 2.950 18.782 ( -0.255 2.561 0.919) 2.733 18.879 ( -2.513 -5.409 -0.533) 5.988 27.792 ( -0.241 1.038 0.681) 1.265 27.815 ( 0.062 -1.164 0.722) 1.372 27.883 ( -0.089 1.125 -0.560) 1.259 27.907 ( -0.584 -1.197 -1.190) 1.786 29.254 ( 2.736 3.859 -0.217) 4.735 29.322 ( 3.593 -2.699 0.403) 4.512 29.643 ( -4.495 11.408 -0.890) 12.294 29.843 ( -6.551 -8.174 -0.818) 10.507 30.609 ( 2.918 3.359 0.642) 4.495 30.688 ( 3.845 -4.073 -0.797) 5.658 30.973 ( 1.781 2.127 -0.884) 2.911 31.021 ( 1.488 -2.300 -1.526) 3.136 32.064 ( 14.279 4.668 3.034) 15.326 32.180 ( 8.683 -6.524 1.079) 10.914 32.865 ( -7.941 5.011 3.352) 9.970 32.972 ( -5.876 -5.543 3.120) 8.659 ======================= Grid point 214 (123/129) ======================= q-point: ( 0.42 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 5.190 7.082 -3.434) 9.428 1.850 ( -0.053 -6.432 -4.604) 7.910 1.978 ( -3.965 3.675 0.618) 5.441 2.083 ( -5.279 -5.953 -0.283) 7.962 2.280 ( 10.179 11.772 5.273) 16.431 2.461 ( 7.173 -5.163 4.775) 10.045 2.858 ( 1.119 15.621 2.660) 15.885 2.895 ( 3.688 13.965 -3.696) 14.909 3.035 ( 3.340 0.006 1.682) 3.740 3.067 ( -2.350 0.047 3.298) 4.050 3.139 ( -3.848 2.822 -1.690) 5.062 3.192 ( -0.037 -10.414 4.755) 11.449 3.283 ( -1.120 -1.731 -3.097) 3.721 3.361 ( -3.445 -5.554 -0.083) 6.536 3.623 ( -6.036 2.267 -5.860) 8.713 3.709 ( -11.389 -3.874 -2.990) 12.396 4.068 ( 1.523 2.508 -4.945) 5.750 4.129 ( -1.213 -0.752 -0.775) 1.624 4.201 ( -2.873 -5.708 -0.401) 6.403 4.229 ( -0.984 -5.610 -1.487) 5.886 4.561 ( 4.867 2.420 -1.741) 5.707 4.606 ( 2.418 0.871 -1.739) 3.103 4.752 ( 2.418 1.622 -3.258) 4.369 4.812 ( 2.232 -1.938 -4.269) 5.192 5.146 ( 9.716 -1.265 -0.745) 9.826 5.222 ( 5.283 -8.804 -0.192) 10.270 5.533 ( -5.472 2.717 -6.710) 9.074 5.571 ( -1.481 -1.279 -7.782) 8.024 6.000 ( -0.479 0.413 2.954) 3.021 6.029 ( -0.205 -2.262 1.156) 2.548 6.434 ( -0.829 5.674 -0.048) 5.735 6.545 ( -2.505 -4.744 -1.576) 5.591 6.913 ( 0.936 6.543 7.562) 10.044 7.024 ( -0.381 -3.789 7.286) 8.221 7.129 ( -1.888 4.353 0.232) 4.750 7.205 ( -1.200 -2.688 0.534) 2.991 8.133 ( -1.993 1.704 3.496) 4.370 8.162 ( -1.001 -0.717 3.596) 3.801 8.552 ( 0.152 5.046 2.865) 5.804 8.662 ( -2.604 -5.371 3.008) 6.684 10.060 ( 1.330 1.296 1.375) 2.310 10.080 ( 1.836 -0.688 1.258) 2.329 10.134 ( 2.100 1.292 -1.694) 2.992 10.159 ( 1.525 -1.107 -1.656) 2.509 10.667 ( 2.026 2.042 0.237) 2.886 10.691 ( 1.404 0.241 0.138) 1.431 10.823 ( 0.654 1.103 0.842) 1.534 10.863 ( -0.274 -2.288 0.548) 2.369 11.561 ( 0.003 1.434 1.059) 1.783 11.589 ( -0.275 -0.978 0.354) 1.075 11.656 ( -0.764 2.111 0.135) 2.249 11.705 ( -2.394 -2.303 -0.119) 3.324 14.755 ( 0.407 0.625 1.732) 1.886 14.781 ( 0.048 -1.905 0.805) 2.068 14.887 ( -1.311 2.478 -0.739) 2.900 14.934 ( -1.820 -2.169 -1.481) 3.196 15.221 ( 1.666 0.903 0.055) 1.896 15.241 ( 0.723 -0.918 0.240) 1.193 15.443 ( -0.140 0.861 0.366) 0.946 15.462 ( -0.539 -0.859 0.003) 1.014 17.452 ( 0.980 0.397 0.377) 1.122 17.469 ( 1.515 -1.241 -0.393) 1.998 17.518 ( 0.143 1.017 -0.645) 1.213 17.541 ( -0.466 -1.178 -1.405) 1.892 18.653 ( 0.119 3.152 -2.075) 3.775 18.688 ( -1.143 -0.230 -1.374) 1.802 18.792 ( 0.543 0.671 0.527) 1.011 18.846 ( -1.252 -3.940 -0.356) 4.149 27.805 ( 0.350 0.721 1.185) 1.430 27.824 ( -0.022 -1.154 0.829) 1.421 27.882 ( 0.511 0.329 -0.425) 0.742 27.890 ( -0.120 -0.368 -0.748) 0.842 29.312 ( 3.517 5.181 1.427) 6.422 29.405 ( 4.377 -3.738 2.413) 6.241 29.558 ( -3.988 9.359 -1.684) 10.311 29.731 ( -5.709 -7.358 -1.939) 9.513 30.654 ( 1.443 2.973 1.326) 3.561 30.718 ( 1.168 -2.911 -0.814) 3.241 30.981 ( 0.562 1.301 -0.709) 1.585 31.014 ( 1.143 -1.575 -2.848) 3.450 32.311 ( 10.903 0.910 4.184) 11.713 32.343 ( 7.931 -2.203 4.455) 9.359 32.769 ( -6.799 5.213 0.495) 8.582 32.881 ( -6.869 -5.843 -1.134) 9.089 ======================= Grid point 215 (124/129) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 5.488 3.197 0.973) 6.425 1.850 ( -0.067 -0.019 -3.059) 3.059 1.933 ( 3.353 -1.785 0.854) 3.893 1.958 ( -6.254 -3.729 -1.633) 7.462 2.504 ( 6.546 9.047 5.102) 12.277 2.567 ( -1.872 3.636 0.291) 4.100 2.855 ( -2.017 12.132 4.676) 13.157 2.949 ( 3.472 15.232 -3.885) 16.099 3.028 ( -3.973 3.854 0.089) 5.536 3.054 ( -0.849 1.769 -3.183) 3.739 3.090 ( 0.250 0.063 4.394) 4.401 3.171 ( -2.670 -3.658 -3.109) 5.493 3.339 ( 6.088 -8.993 1.418) 10.952 3.356 ( 2.802 -9.814 1.989) 10.398 3.488 ( -5.062 0.239 -1.427) 5.265 3.527 ( -3.534 -2.938 -3.209) 5.605 4.047 ( -1.806 0.040 -0.054) 1.807 4.066 ( -2.477 -1.203 -1.806) 3.293 4.170 ( -2.412 -3.065 2.133) 4.446 4.205 ( 0.085 -5.811 -1.510) 6.004 4.588 ( 0.505 4.006 -0.768) 4.110 4.604 ( 0.702 3.705 -2.345) 4.441 4.765 ( 0.748 -2.714 -0.425) 2.847 4.797 ( 0.685 -3.940 -3.223) 5.136 5.256 ( -2.362 -1.503 1.038) 2.986 5.288 ( 4.823 -4.306 -1.445) 6.625 5.412 ( -1.447 0.854 -1.141) 2.031 5.459 ( -1.315 -3.827 -5.714) 7.002 6.019 ( -0.972 0.514 2.187) 2.448 6.039 ( 0.755 -1.399 0.095) 1.593 6.459 ( 3.552 2.865 0.467) 4.587 6.486 ( -1.712 0.279 -2.268) 2.855 7.002 ( 0.398 4.476 5.971) 7.473 7.075 ( -2.043 1.759 -0.532) 2.748 7.105 ( -0.170 -0.797 3.881) 3.966 7.165 ( -1.194 -2.530 -1.327) 3.096 8.166 ( 1.794 2.781 2.008) 3.871 8.185 ( 0.945 1.252 0.230) 1.586 8.601 ( 1.702 -0.151 3.423) 3.826 8.631 ( -3.182 -2.787 0.563) 4.267 10.086 ( -0.531 1.259 1.873) 2.319 10.106 ( -0.537 -0.534 0.966) 1.228 10.136 ( 0.479 0.987 -1.120) 1.568 10.156 ( 0.556 -0.847 -1.998) 2.241 10.690 ( -0.354 2.034 0.695) 2.179 10.701 ( 0.430 1.163 -0.421) 1.309 10.843 ( 0.591 -0.624 0.866) 1.220 10.852 ( -1.067 -1.349 -0.001) 1.720 11.576 ( 0.364 1.332 0.842) 1.617 11.588 ( 0.082 0.495 -0.385) 0.632 11.660 ( 0.582 -0.457 0.719) 1.032 11.672 ( -1.053 -1.257 -0.465) 1.705 14.781 ( 0.505 0.276 1.250) 1.376 14.791 ( 0.208 -0.674 0.251) 0.749 14.866 ( -0.576 0.779 0.565) 1.122 14.888 ( -1.533 -1.246 -1.366) 2.402 15.243 ( 0.751 0.191 0.096) 0.781 15.247 ( 0.125 -0.143 -0.258) 0.320 15.447 ( 0.110 0.286 0.465) 0.557 15.453 ( -0.373 -0.229 -0.126) 0.455 17.465 ( -0.345 0.367 0.932) 1.059 17.481 ( 0.300 -1.201 -0.233) 1.260 17.508 ( -0.475 0.451 -0.230) 0.695 17.519 ( -0.450 -0.655 -1.049) 1.316 18.650 ( 0.660 1.896 -0.333) 2.035 18.654 ( -1.193 1.485 -0.791) 2.062 18.812 ( 1.173 -1.373 0.384) 1.846 18.826 ( -0.212 -2.529 -1.010) 2.732 27.823 ( 0.318 0.068 0.913) 0.970 27.830 ( -0.136 -0.642 0.327) 0.733 27.881 ( 0.090 0.278 -0.312) 0.428 27.888 ( 0.560 -0.331 -0.759) 1.000 29.393 ( 3.694 6.549 2.339) 7.874 29.437 ( -3.054 5.993 -1.975) 7.010 29.551 ( 4.344 -3.624 3.161) 6.480 29.616 ( -4.940 -6.194 -3.190) 8.541 30.684 ( 0.024 1.694 1.713) 2.410 30.711 ( -0.426 -0.682 -1.080) 1.346 30.979 ( -0.150 0.667 -0.259) 0.731 31.002 ( 1.461 -1.370 -2.644) 3.317 32.482 ( 4.929 0.007 2.771) 5.655 32.490 ( 0.685 -0.753 2.275) 2.492 32.696 ( -0.151 1.910 1.887) 2.689 32.744 ( -5.908 -2.778 -2.665) 7.051 ======================= Grid point 216 (125/129) ======================= q-point: (-0.42 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -8.152 5.220 -2.382) 9.969 1.818 ( -2.911 -6.712 -1.390) 7.447 1.996 ( 8.109 3.865 -0.638) 9.006 2.078 ( 8.121 -3.267 0.821) 8.792 2.382 ( -13.856 9.265 -4.654) 17.306 2.498 ( -10.764 -1.071 0.416) 10.825 2.855 ( -2.250 10.997 -0.114) 11.225 2.909 ( -1.618 16.119 -2.421) 16.379 2.997 ( -4.387 -3.382 2.276) 5.988 3.083 ( 1.720 0.756 1.497) 2.402 3.153 ( 7.152 1.636 -1.141) 7.425 3.170 ( 1.734 0.162 4.190) 4.537 3.336 ( 1.809 -5.899 -4.366) 7.559 3.407 ( 4.908 -7.877 -4.570) 10.345 3.523 ( 4.673 3.104 4.976) 7.499 3.620 ( 9.060 -2.826 5.545) 10.991 3.995 ( -3.751 0.772 2.274) 4.454 4.056 ( -2.505 -4.258 4.375) 6.599 4.170 ( -1.874 -1.918 3.258) 4.219 4.196 ( -0.926 -5.309 1.008) 5.483 4.570 ( -1.964 3.454 -1.928) 4.417 4.576 ( -1.639 4.441 1.574) 4.989 4.754 ( -2.159 -3.670 0.194) 4.262 4.758 ( -1.489 -3.795 -2.526) 4.796 5.130 ( -9.402 0.159 0.049) 9.404 5.240 ( -5.838 -10.035 -2.340) 11.843 5.454 ( 4.387 1.621 1.895) 5.046 5.483 ( 3.417 -1.247 1.427) 3.907 6.022 ( -0.531 1.113 0.746) 1.441 6.052 ( 1.203 -1.666 -0.890) 2.239 6.452 ( 0.833 4.384 -1.876) 4.841 6.531 ( 4.334 -2.811 -0.320) 5.176 7.008 ( -3.213 5.139 -1.572) 6.261 7.056 ( -0.633 0.652 3.979) 4.081 7.130 ( 2.233 1.989 0.112) 2.992 7.201 ( 3.311 -3.518 0.359) 4.845 8.195 ( 2.737 2.669 -2.470) 4.552 8.217 ( 3.203 0.851 -1.733) 3.740 8.586 ( -2.125 2.661 -0.395) 3.428 8.675 ( 2.961 -5.439 1.833) 6.458 10.075 ( -3.017 0.808 0.557) 3.173 10.083 ( -2.868 0.187 0.667) 2.951 10.127 ( -0.803 0.369 -0.681) 1.115 10.139 ( -0.518 -0.496 -0.417) 0.830 10.668 ( -2.479 2.325 0.194) 3.404 10.696 ( -0.989 0.155 -0.332) 1.055 10.832 ( -1.103 0.703 0.007) 1.308 10.862 ( 0.164 -1.772 0.608) 1.880 11.579 ( 0.083 1.324 -0.663) 1.483 11.595 ( 0.936 0.239 -0.224) 0.992 11.656 ( 0.119 1.115 0.087) 1.125 11.697 ( 2.441 -2.295 0.737) 3.431 14.784 ( -0.355 0.155 -1.042) 1.111 14.792 ( 0.094 -0.586 -0.297) 0.664 14.870 ( 0.032 0.677 0.722) 0.990 14.890 ( 0.903 -1.286 2.790) 3.202 15.231 ( -1.016 0.971 -0.828) 1.631 15.250 ( 0.078 -0.797 -0.579) 0.988 15.446 ( -0.145 0.574 -0.022) 0.592 15.458 ( 0.431 -0.501 0.360) 0.752 17.457 ( -2.002 0.024 0.831) 2.168 17.465 ( -1.294 -0.783 -0.841) 1.731 17.508 ( -0.344 -0.153 0.421) 0.565 17.508 ( -0.447 -0.235 1.351) 1.442 18.628 ( -1.187 3.206 0.457) 3.449 18.670 ( 0.986 -0.467 0.574) 1.233 18.808 ( 0.096 -0.201 -1.255) 1.275 18.843 ( 2.121 -3.098 -0.197) 3.760 27.825 ( -0.222 0.104 -0.612) 0.659 27.834 ( 0.144 -0.726 0.154) 0.756 27.879 ( -0.035 0.328 -0.249) 0.414 27.886 ( 0.406 -0.341 -0.665) 0.850 29.349 ( -3.911 6.218 -2.432) 7.738 29.444 ( -2.032 -0.297 -0.740) 2.183 29.538 ( 1.476 3.758 -0.524) 4.072 29.677 ( 5.805 -7.062 3.540) 9.803 30.674 ( -2.258 1.976 -0.380) 3.024 30.700 ( -0.973 -0.559 0.852) 1.409 30.970 ( -0.786 1.152 0.040) 1.395 31.004 ( 1.697 -2.141 -1.647) 3.190 32.379 ( -10.447 1.701 -2.757) 10.938 32.429 ( -9.296 -3.236 -3.798) 10.550 32.752 ( 6.330 3.592 2.137) 7.586 32.826 ( 7.756 -3.694 4.487) 9.692 ======================= Grid point 217 (126/129) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -7.221 12.378 4.583) 15.045 1.831 ( 1.436 -11.956 5.721) 13.332 1.979 ( -12.213 10.804 -3.991) 16.787 2.098 ( -0.399 0.699 -1.175) 1.424 2.232 ( 0.202 -2.445 -2.472) 3.483 2.304 ( -11.711 -7.302 2.552) 14.035 2.811 ( -3.515 9.512 -1.664) 10.276 2.875 ( 0.133 16.069 0.565) 16.080 2.911 ( -6.222 -1.383 2.130) 6.721 3.119 ( 2.891 -4.603 -0.176) 5.438 3.219 ( -2.341 2.942 4.419) 5.802 3.264 ( 6.266 2.325 -4.936) 8.308 3.354 ( 4.594 -4.719 -5.127) 8.346 3.437 ( 6.155 -5.628 -4.912) 9.680 3.654 ( 2.883 8.047 6.205) 10.563 3.848 ( 10.049 -4.086 6.108) 12.449 3.989 ( -2.091 1.599 4.532) 5.241 4.078 ( -2.208 -1.692 5.869) 6.495 4.164 ( -3.892 -0.576 4.078) 5.666 4.204 ( -1.480 -6.876 4.987) 8.622 4.515 ( -1.446 2.504 -2.276) 3.680 4.601 ( 1.901 -0.936 1.409) 2.544 4.682 ( -3.974 -0.765 -0.939) 4.155 4.725 ( -3.598 -2.282 4.172) 5.963 5.002 ( -6.002 0.774 -0.246) 6.057 5.149 ( -2.967 -12.013 -0.995) 12.414 5.548 ( 2.339 1.649 5.352) 6.069 5.563 ( 3.201 0.479 4.594) 5.619 6.019 ( 0.188 0.892 -0.928) 1.300 6.056 ( 1.398 -2.040 -2.174) 3.293 6.464 ( 1.697 5.046 -0.761) 5.378 6.574 ( 1.214 -5.409 -0.155) 5.545 6.952 ( -0.151 8.704 -4.163) 9.650 7.076 ( 0.833 -3.644 -1.879) 4.184 7.165 ( 2.552 4.014 -1.655) 5.037 7.248 ( 4.146 -3.562 -1.839) 5.767 8.212 ( 2.927 0.860 -3.628) 4.740 8.227 ( 2.568 -0.148 -3.956) 4.719 8.551 ( -1.889 7.284 -0.710) 7.558 8.710 ( 0.805 -7.932 -2.114) 8.249 10.015 ( -4.710 0.671 0.229) 4.763 10.026 ( -5.026 -0.372 0.450) 5.059 10.102 ( -1.362 1.403 -0.314) 1.980 10.127 ( -1.344 -0.946 0.889) 1.869 10.624 ( -3.191 2.253 0.212) 3.912 10.662 ( -2.577 -0.985 -0.452) 2.795 10.813 ( -1.326 1.967 -0.259) 2.386 10.855 ( -1.684 -1.841 0.034) 2.495 11.574 ( 0.650 1.532 -1.013) 1.948 11.603 ( 0.969 -1.161 -0.562) 1.614 11.681 ( 2.546 3.855 0.103) 4.621 11.753 ( 3.865 -3.057 0.169) 4.930 14.764 ( -0.162 0.360 -1.477) 1.529 14.786 ( -0.041 -1.831 -0.516) 1.902 14.895 ( 1.038 2.269 1.577) 2.952 14.941 ( 1.182 -2.255 2.662) 3.684 15.199 ( -1.477 1.911 -1.003) 2.615 15.237 ( -0.446 -1.510 -1.022) 1.877 15.446 ( 0.051 0.963 -0.112) 0.971 15.467 ( 0.294 -0.979 0.193) 1.040 17.426 ( -2.834 -0.229 0.730) 2.936 17.431 ( -2.035 -0.723 -0.287) 2.178 17.510 ( -0.170 0.713 0.760) 1.056 17.528 ( 0.050 -1.130 2.641) 2.873 18.634 ( 0.076 3.693 2.403) 4.407 18.689 ( 0.273 -1.906 1.099) 2.217 18.800 ( 0.676 2.487 -1.224) 2.853 18.877 ( 2.626 -4.548 -0.361) 5.264 27.813 ( 0.121 0.669 -1.224) 1.400 27.832 ( 0.129 -1.190 -0.782) 1.430 27.877 ( 0.008 0.651 -0.013) 0.651 27.890 ( 0.380 -0.567 0.281) 0.738 29.266 ( -3.550 4.603 -1.536) 6.012 29.350 ( -4.782 -3.499 -2.518) 6.438 29.615 ( 4.866 10.464 1.716) 11.667 29.808 ( 6.174 -8.327 2.773) 10.730 30.621 ( -3.675 3.215 -0.548) 4.913 30.675 ( -3.503 -2.020 0.654) 4.096 30.956 ( -1.397 2.404 0.474) 2.821 31.016 ( 1.547 -3.455 -1.016) 3.920 32.133 ( -15.402 3.151 -3.670) 16.143 32.218 ( -11.627 -5.155 -2.588) 12.979 32.898 ( 9.343 4.551 0.288) 10.397 32.992 ( 8.562 -4.764 1.274) 9.881 ======================= Grid point 218 (127/129) ======================= q-point: (-0.25 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -9.370 17.875 13.018) 24.016 1.762 ( -12.171 14.405 5.213) 19.566 1.918 ( -6.005 -15.380 9.455) 19.026 2.016 ( -8.327 -10.509 0.727) 13.428 2.204 ( -0.989 -0.737 3.330) 3.551 2.253 ( 1.618 -4.953 -0.073) 5.211 2.739 ( -3.401 9.314 -1.121) 9.978 2.807 ( -6.246 6.509 2.199) 9.285 2.931 ( -0.005 11.261 1.850) 11.412 3.114 ( -5.959 4.656 1.074) 7.638 3.219 ( 1.168 -3.253 0.282) 3.468 3.245 ( 1.212 -8.427 -6.369) 10.632 3.370 ( 5.482 -1.785 -4.483) 7.303 3.465 ( 1.873 -7.062 -3.258) 8.000 3.744 ( 0.455 12.453 6.713) 14.155 3.969 ( -0.568 -7.121 1.685) 7.340 4.057 ( -1.217 3.843 3.573) 5.387 4.122 ( 4.143 4.586 3.355) 7.032 4.191 ( 3.577 0.730 5.191) 6.346 4.286 ( 2.286 -6.516 8.029) 10.590 4.465 ( -0.930 -2.198 -3.022) 3.851 4.553 ( 1.035 -7.880 -8.652) 11.748 4.700 ( -0.427 5.262 4.951) 7.238 4.794 ( 1.230 -2.936 10.216) 10.700 4.953 ( -0.119 2.252 1.444) 2.678 5.108 ( -1.093 -11.071 -0.516) 11.137 5.663 ( 3.144 3.630 7.446) 8.860 5.697 ( 3.379 0.302 9.160) 9.768 6.002 ( 0.241 0.368 -2.753) 2.788 6.046 ( 1.434 -2.552 -3.610) 4.648 6.464 ( -0.678 4.864 -1.438) 5.118 6.566 ( -1.787 -4.641 -0.462) 4.995 6.889 ( 0.586 7.964 -8.380) 11.576 7.013 ( -0.851 -4.414 -9.105) 10.155 7.176 ( 3.553 5.369 -5.067) 8.193 7.299 ( 5.893 -5.712 -4.094) 9.172 8.183 ( -0.829 1.453 -4.576) 4.872 8.213 ( 0.654 -1.170 -4.658) 4.847 8.504 ( -2.964 6.581 -0.698) 7.251 8.636 ( -4.608 -6.349 -5.611) 9.645 9.937 ( -5.535 0.185 1.000) 5.627 9.943 ( -5.816 -0.341 0.808) 5.882 10.090 ( -0.368 1.489 1.242) 1.974 10.123 ( -0.673 -1.559 1.796) 2.472 10.575 ( -3.171 1.900 0.293) 3.708 10.610 ( -3.170 -1.170 -0.447) 3.408 10.777 ( -2.666 1.525 -0.587) 3.127 10.809 ( -3.557 -1.441 -0.516) 3.872 11.580 ( 1.464 1.952 -0.902) 2.601 11.620 ( 1.723 -1.800 -0.304) 2.511 11.728 ( 3.895 5.169 -1.439) 6.630 11.814 ( 4.244 -3.243 -1.366) 5.513 14.749 ( 0.391 0.581 -1.362) 1.532 14.781 ( 0.133 -2.548 -0.503) 2.601 14.929 ( 1.201 2.864 1.054) 3.280 14.977 ( 0.537 -1.653 1.011) 2.011 15.171 ( -1.058 2.056 0.092) 2.314 15.220 ( -0.076 -2.172 -0.806) 2.318 15.441 ( -0.357 1.064 -0.382) 1.185 15.469 ( -0.293 -1.336 -0.061) 1.370 17.388 ( -2.727 -0.107 0.748) 2.830 17.397 ( -2.086 -0.884 0.112) 2.269 17.518 ( 0.355 1.830 0.443) 1.916 17.565 ( 0.633 -2.821 2.291) 3.689 18.681 ( 0.823 2.631 3.137) 4.176 18.708 ( 0.114 -0.750 2.884) 2.982 18.804 ( 1.589 4.721 -0.929) 5.067 18.924 ( 3.535 -6.003 0.221) 6.970 27.807 ( 0.764 0.738 -0.953) 1.427 27.822 ( 0.060 -0.684 -1.143) 1.334 27.885 ( 0.759 0.967 0.631) 1.382 27.907 ( 0.720 -1.084 1.217) 1.782 29.208 ( -2.726 3.284 0.266) 4.276 29.264 ( -3.689 -2.206 -0.017) 4.299 29.712 ( 5.230 12.697 0.976) 13.767 29.938 ( 6.718 -9.480 2.149) 11.816 30.546 ( -5.045 3.142 -0.150) 5.945 30.602 ( -5.998 -2.324 0.172) 6.435 30.931 ( -2.294 3.767 0.035) 4.410 31.019 ( -0.015 -4.761 -1.553) 5.008 31.831 ( -17.290 6.400 -2.359) 18.587 32.005 ( -13.654 -10.821 0.775) 17.440 33.046 ( 11.145 4.045 -3.391) 12.332 33.117 ( 8.717 -2.999 -3.936) 10.024 ======================= Grid point 219 (128/129) ======================= q-point: (-0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -10.454 14.241 15.547) 23.533 1.705 ( -10.552 12.792 13.844) 21.602 1.851 ( -12.155 -13.381 10.303) 20.808 1.901 ( -8.802 -8.959 4.097) 13.210 2.218 ( -2.530 1.079 1.510) 3.138 2.294 ( -0.389 -5.605 -0.789) 5.674 2.694 ( -2.208 12.511 3.626) 13.211 2.788 ( 2.468 8.797 0.985) 9.189 2.941 ( -0.044 4.464 0.344) 4.478 3.034 ( -8.227 8.433 5.537) 13.017 3.143 ( 3.308 -3.319 -11.912) 12.800 3.264 ( -1.157 -10.827 3.033) 11.303 3.423 ( 4.635 -2.526 -2.652) 5.908 3.450 ( -2.346 -5.591 5.532) 8.208 3.844 ( 2.970 8.629 2.925) 9.584 3.937 ( -2.634 1.454 -4.937) 5.781 4.039 ( -1.652 2.000 3.936) 4.714 4.184 ( -0.508 -5.652 3.221) 6.525 4.327 ( 5.340 7.586 -1.971) 9.484 4.397 ( 2.076 1.823 2.274) 3.579 4.507 ( 5.169 -8.775 0.686) 10.208 4.538 ( 8.400 -9.104 3.704) 12.930 4.744 ( 2.148 6.958 1.361) 7.408 4.906 ( 4.569 -6.997 0.879) 8.402 5.036 ( 1.418 1.711 8.547) 8.831 5.120 ( 0.888 -6.475 3.384) 7.360 5.778 ( 0.570 5.985 4.738) 7.654 5.827 ( -0.849 0.954 6.973) 7.089 5.975 ( 0.443 -0.940 -2.104) 2.346 6.026 ( 2.322 -3.201 -4.742) 6.174 6.408 ( -2.708 5.167 -2.992) 6.556 6.514 ( -3.121 -4.980 -1.363) 6.033 6.779 ( -0.068 6.261 -11.441) 13.043 6.876 ( -0.459 -4.174 -11.713) 12.443 7.147 ( 1.880 7.359 -8.860) 11.670 7.306 ( 2.489 -7.573 -8.646) 11.760 8.085 ( -4.022 2.474 -4.107) 6.258 8.136 ( -3.597 -2.253 -4.336) 6.067 8.442 ( -4.002 2.585 -0.956) 4.859 8.480 ( -6.045 -0.974 -3.590) 7.098 9.874 ( -3.973 0.526 2.144) 4.545 9.883 ( -3.645 -0.163 2.590) 4.474 10.118 ( 0.829 0.463 2.559) 2.730 10.156 ( 1.521 -2.922 3.016) 4.466 10.534 ( -2.211 1.175 0.166) 2.509 10.555 ( -2.962 -0.800 -0.305) 3.083 10.717 ( -4.034 0.718 -0.387) 4.116 10.740 ( -3.883 -1.345 -0.818) 4.190 11.598 ( 1.749 2.483 -0.626) 3.101 11.648 ( 1.850 -2.044 -0.024) 2.757 11.760 ( 3.348 4.916 -3.542) 6.923 11.846 ( 2.825 -3.307 -3.309) 5.465 14.746 ( 0.742 1.039 -0.710) 1.461 14.781 ( 0.637 -2.365 -0.499) 2.500 14.954 ( 1.037 2.481 0.131) 2.692 14.984 ( -0.001 -0.196 -0.243) 0.313 15.174 ( 0.230 1.628 1.536) 2.251 15.222 ( 1.062 -2.329 -0.084) 2.561 15.425 ( -0.999 0.873 -0.511) 1.422 15.455 ( -1.311 -1.655 -0.141) 2.116 17.359 ( -1.889 0.015 0.783) 2.045 17.370 ( -1.358 -1.040 0.181) 1.720 17.527 ( 0.529 2.247 -0.314) 2.330 17.584 ( -0.323 -3.523 0.261) 3.548 18.696 ( -0.921 3.125 1.083) 3.433 18.748 ( -0.424 -2.197 1.361) 2.619 18.862 ( 4.850 6.197 2.840) 8.366 18.994 ( 3.953 -6.110 0.975) 7.343 27.812 ( 0.096 0.221 -0.650) 0.694 27.815 ( 0.950 -0.092 -0.367) 1.022 27.914 ( 1.500 0.947 0.952) 2.014 27.935 ( 0.934 -1.063 1.140) 1.817 29.193 ( -0.902 3.304 2.590) 4.294 29.248 ( -0.481 -2.098 3.508) 4.116 29.803 ( 5.700 14.744 -0.182) 15.808 30.066 ( 6.102 -11.165 1.699) 12.837 30.470 ( -3.759 1.993 0.149) 4.257 30.503 ( -5.790 -1.227 -0.078) 5.919 30.872 ( -4.728 3.720 -1.363) 6.168 30.953 ( -5.847 -4.074 -2.961) 7.717 31.569 ( -12.685 7.392 0.546) 14.692 31.804 ( -14.882 -15.850 4.166) 22.137 33.165 ( 10.389 2.802 -6.933) 12.800 33.179 ( 7.476 1.370 -7.491) 10.672 ======================= Grid point 220 (129/129) ======================= q-point: (-0.08 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -7.976 9.856 17.580) 21.675 1.705 ( -7.205 3.913 13.982) 16.209 1.842 ( -4.481 -2.851 10.997) 12.212 1.885 ( -2.420 -8.400 12.608) 15.342 2.151 ( -5.544 1.840 0.120) 5.842 2.233 ( -1.554 -5.626 -3.627) 6.872 2.719 ( 1.390 11.710 -2.406) 12.036 2.792 ( 3.125 10.801 -12.819) 17.052 2.894 ( -3.995 -1.169 -6.805) 7.977 2.950 ( -4.176 1.444 -0.846) 4.499 3.178 ( 3.161 4.485 9.169) 10.686 3.317 ( 1.643 -5.039 7.592) 9.259 3.453 ( -1.564 0.953 7.765) 7.978 3.531 ( 3.367 -5.565 2.310) 6.902 3.768 ( -3.786 8.308 -6.617) 11.275 3.869 ( -3.352 -0.736 -3.165) 4.668 4.093 ( 0.107 0.296 5.679) 5.688 4.221 ( -0.846 -10.138 5.823) 11.722 4.348 ( 0.641 1.499 -1.136) 1.987 4.396 ( -1.244 -2.289 -0.187) 2.612 4.696 ( 11.409 0.718 4.804) 12.400 4.758 ( 12.465 3.677 0.418) 13.002 4.823 ( 3.818 -1.901 3.478) 5.503 4.990 ( 9.208 -9.435 -2.449) 13.410 5.128 ( -1.648 2.436 6.216) 6.877 5.184 ( 0.523 -2.949 4.036) 5.026 5.730 ( -7.173 7.153 -3.231) 10.633 5.798 ( -7.620 0.130 1.026) 7.690 5.984 ( 1.836 -2.420 0.870) 3.160 6.000 ( 1.003 -2.782 -5.055) 5.856 6.331 ( -2.098 5.636 -4.202) 7.336 6.440 ( -4.278 -5.222 -2.470) 7.188 6.672 ( 1.559 6.192 -6.770) 9.307 6.772 ( 1.569 -4.403 -6.798) 8.250 7.030 ( -1.754 7.337 -11.359) 13.636 7.168 ( -3.805 -5.495 -12.128) 13.848 8.018 ( -0.329 1.002 -0.993) 1.448 8.043 ( -2.720 -1.328 -1.359) 3.318 8.357 ( -3.661 2.680 -0.761) 4.601 8.394 ( -2.970 -1.029 -1.277) 3.393 9.867 ( -0.873 2.030 3.158) 3.854 9.884 ( -0.571 0.795 3.007) 3.163 10.165 ( 1.121 -0.474 2.760) 3.016 10.220 ( 1.518 -5.346 2.459) 6.078 10.514 ( -0.208 0.176 -0.286) 0.395 10.516 ( -1.599 -0.280 0.476) 1.692 10.650 ( -3.717 0.412 0.050) 3.740 10.673 ( -3.061 -1.745 -0.918) 3.642 11.620 ( 1.408 3.036 -0.086) 3.348 11.672 ( 0.946 -0.738 -0.024) 1.200 11.755 ( 1.497 2.379 -3.736) 4.675 11.829 ( 0.432 -3.572 -4.132) 5.479 14.758 ( 0.955 1.134 0.235) 1.501 14.788 ( 0.618 -1.804 -0.448) 1.958 14.965 ( 0.342 1.398 -0.115) 1.444 14.977 ( -0.370 0.277 -0.307) 0.555 15.209 ( 1.528 1.980 1.831) 3.100 15.248 ( 1.693 -0.990 0.170) 1.969 15.403 ( -0.759 -0.077 -0.436) 0.878 15.426 ( -1.956 -1.763 -0.092) 2.635 17.347 ( -0.655 0.023 0.735) 0.984 17.358 ( -0.353 -1.058 0.132) 1.123 17.526 ( 0.159 1.389 -0.693) 1.561 17.561 ( -1.881 -2.138 -0.717) 2.937 18.690 ( -1.083 3.623 0.955) 3.901 18.736 ( -0.797 -0.686 -0.859) 1.358 18.976 ( 4.165 2.309 2.894) 5.572 19.055 ( 2.273 -4.579 0.309) 5.122 27.811 ( 0.138 0.846 0.154) 0.871 27.825 ( 0.625 -0.518 -0.154) 0.826 27.943 ( 0.842 0.331 0.526) 1.046 27.956 ( 0.701 -0.808 0.171) 1.083 29.238 ( 1.664 4.674 4.073) 6.419 29.313 ( 2.133 -2.303 3.768) 4.904 29.897 ( 6.984 12.265 -0.498) 14.123 30.130 ( -0.774 -10.262 -0.003) 10.291 30.449 ( 0.248 1.180 0.023) 1.206 30.466 ( 3.684 -0.683 0.479) 3.777 30.732 ( -11.022 2.355 -1.536) 11.375 30.782 ( -9.571 -1.756 -2.737) 10.109 31.466 ( -2.927 2.838 2.803) 4.948 31.636 ( -11.700 -13.827 4.283) 18.613 33.184 ( 3.866 5.761 -6.551) 9.542 33.222 ( 6.127 1.298 -7.454) 9.736 =================== 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 3/35280 10.0 214.512 215.605 368.864 0.000 26.133 0.000 3/35280 20.0 44.600 51.562 73.475 0.000 -6.437 0.000 3/35280 30.0 21.177 24.793 32.512 0.000 -3.169 0.000 3/35280 40.0 13.200 15.587 19.417 0.000 -1.921 0.000 3/35280 50.0 9.395 11.127 13.465 0.000 -1.327 0.000 3/35280 60.0 7.228 8.564 10.191 0.000 -0.996 0.000 3/35280 70.0 5.848 6.926 8.159 0.000 -0.789 0.000 3/35280 80.0 4.900 5.800 6.790 0.000 -0.649 0.000 3/35280 90.0 4.211 4.982 5.809 0.000 -0.549 0.000 3/35280 100.0 3.690 4.364 5.075 0.000 -0.475 0.000 3/35280 110.0 3.284 3.882 4.506 0.000 -0.418 0.000 3/35280 120.0 2.958 3.495 4.052 0.000 -0.373 0.000 3/35280 130.0 2.691 3.179 3.682 0.000 -0.336 0.000 3/35280 140.0 2.470 2.915 3.374 0.000 -0.306 0.000 3/35280 150.0 2.282 2.693 3.115 0.000 -0.281 0.000 3/35280 160.0 2.122 2.502 2.893 0.000 -0.260 0.000 3/35280 170.0 1.984 2.338 2.702 0.000 -0.242 0.000 3/35280 180.0 1.864 2.194 2.534 0.000 -0.226 0.000 3/35280 190.0 1.758 2.067 2.387 0.000 -0.212 0.000 3/35280 200.0 1.665 1.955 2.257 0.000 -0.200 0.000 3/35280 210.0 1.582 1.855 2.140 0.000 -0.189 0.000 3/35280 220.0 1.508 1.765 2.036 0.000 -0.179 0.000 3/35280 230.0 1.441 1.683 1.941 0.000 -0.171 0.000 3/35280 240.0 1.381 1.610 1.855 0.000 -0.163 0.000 3/35280 250.0 1.326 1.543 1.777 0.000 -0.156 0.000 3/35280 260.0 1.277 1.481 1.706 0.000 -0.149 0.000 3/35280 270.0 1.231 1.425 1.640 0.000 -0.143 0.000 3/35280 280.0 1.189 1.373 1.579 0.000 -0.138 0.000 3/35280 290.0 1.151 1.324 1.523 0.000 -0.133 0.000 3/35280 300.0 1.115 1.280 1.471 0.000 -0.128 0.000 3/35280 310.0 1.082 1.238 1.423 0.000 -0.124 0.000 3/35280 320.0 1.051 1.199 1.378 0.000 -0.119 0.000 3/35280 330.0 1.022 1.163 1.336 0.000 -0.116 0.000 3/35280 340.0 0.995 1.129 1.296 0.000 -0.112 0.000 3/35280 350.0 0.970 1.097 1.259 0.000 -0.109 0.000 3/35280 360.0 0.946 1.067 1.224 0.000 -0.106 0.000 3/35280 370.0 0.924 1.039 1.191 0.000 -0.103 0.000 3/35280 380.0 0.903 1.012 1.160 0.000 -0.100 0.000 3/35280 390.0 0.882 0.987 1.130 0.000 -0.097 0.000 3/35280 400.0 0.863 0.962 1.102 0.000 -0.095 0.000 3/35280 410.0 0.845 0.940 1.076 0.000 -0.092 0.000 3/35280 420.0 0.828 0.918 1.050 0.000 -0.090 0.000 3/35280 430.0 0.811 0.897 1.026 0.000 -0.088 0.000 3/35280 440.0 0.795 0.877 1.003 0.000 -0.086 0.000 3/35280 450.0 0.780 0.858 0.981 0.000 -0.084 0.000 3/35280 460.0 0.766 0.840 0.960 0.000 -0.082 0.000 3/35280 470.0 0.752 0.823 0.940 0.000 -0.080 0.000 3/35280 480.0 0.738 0.806 0.921 0.000 -0.079 0.000 3/35280 490.0 0.725 0.790 0.903 0.000 -0.077 0.000 3/35280 500.0 0.713 0.775 0.885 0.000 -0.075 0.000 3/35280 510.0 0.701 0.761 0.868 0.000 -0.074 0.000 3/35280 520.0 0.689 0.746 0.852 0.000 -0.073 0.000 3/35280 530.0 0.678 0.733 0.836 0.000 -0.071 0.000 3/35280 540.0 0.667 0.720 0.821 0.000 -0.070 0.000 3/35280 550.0 0.656 0.707 0.806 0.000 -0.069 0.000 3/35280 560.0 0.646 0.695 0.792 0.000 -0.067 0.000 3/35280 570.0 0.636 0.683 0.779 0.000 -0.066 0.000 3/35280 580.0 0.627 0.672 0.765 0.000 -0.065 0.000 3/35280 590.0 0.618 0.661 0.753 0.000 -0.064 0.000 3/35280 600.0 0.609 0.650 0.740 0.000 -0.063 0.000 3/35280 610.0 0.600 0.640 0.729 0.000 -0.062 0.000 3/35280 620.0 0.592 0.630 0.717 0.000 -0.061 0.000 3/35280 630.0 0.583 0.620 0.706 0.000 -0.060 0.000 3/35280 640.0 0.575 0.611 0.695 0.000 -0.059 0.000 3/35280 650.0 0.567 0.602 0.685 0.000 -0.058 0.000 3/35280 660.0 0.560 0.593 0.675 0.000 -0.057 0.000 3/35280 670.0 0.553 0.584 0.665 0.000 -0.056 0.000 3/35280 680.0 0.545 0.576 0.655 0.000 -0.055 0.000 3/35280 690.0 0.538 0.568 0.646 0.000 -0.055 0.000 3/35280 700.0 0.531 0.560 0.637 0.000 -0.054 0.000 3/35280 710.0 0.525 0.553 0.628 0.000 -0.053 0.000 3/35280 720.0 0.518 0.545 0.620 0.000 -0.052 0.000 3/35280 730.0 0.512 0.538 0.611 0.000 -0.052 0.000 3/35280 740.0 0.506 0.531 0.603 0.000 -0.051 0.000 3/35280 750.0 0.500 0.524 0.595 0.000 -0.050 0.000 3/35280 760.0 0.494 0.517 0.588 0.000 -0.050 0.000 3/35280 770.0 0.488 0.511 0.580 0.000 -0.049 0.000 3/35280 780.0 0.482 0.504 0.573 0.000 -0.048 0.000 3/35280 790.0 0.477 0.498 0.566 0.000 -0.048 0.000 3/35280 800.0 0.471 0.492 0.559 0.000 -0.047 0.000 3/35280 810.0 0.466 0.486 0.552 0.000 -0.046 0.000 3/35280 820.0 0.461 0.480 0.545 0.000 -0.046 0.000 3/35280 830.0 0.456 0.475 0.539 0.000 -0.045 0.000 3/35280 840.0 0.451 0.469 0.533 0.000 -0.045 0.000 3/35280 850.0 0.446 0.464 0.527 0.000 -0.044 0.000 3/35280 860.0 0.441 0.459 0.521 0.000 -0.044 0.000 3/35280 870.0 0.437 0.454 0.515 0.000 -0.043 0.000 3/35280 880.0 0.432 0.449 0.509 0.000 -0.043 0.000 3/35280 890.0 0.428 0.444 0.503 0.000 -0.042 0.000 3/35280 900.0 0.423 0.439 0.498 0.000 -0.042 0.000 3/35280 910.0 0.419 0.434 0.492 0.000 -0.041 0.000 3/35280 920.0 0.415 0.430 0.487 0.000 -0.041 0.000 3/35280 930.0 0.411 0.425 0.482 0.000 -0.040 0.000 3/35280 940.0 0.407 0.421 0.477 0.000 -0.040 0.000 3/35280 950.0 0.403 0.416 0.472 0.000 -0.040 0.000 3/35280 960.0 0.399 0.412 0.467 0.000 -0.039 0.000 3/35280 970.0 0.395 0.408 0.463 0.000 -0.039 0.000 3/35280 980.0 0.391 0.404 0.458 0.000 -0.038 0.000 3/35280 990.0 0.388 0.400 0.453 0.000 -0.038 0.000 3/35280 1000.0 0.384 0.396 0.449 0.000 -0.038 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m1257.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:09:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|