----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.939253064370607 2.851679086310048 3.105426049999997 b -4.939253064370598 2.851679086310048 3.105426049999997 c 0.000000000000005 -5.703358172620105 3.105426049999997 Atomic positions (fractional): *1 O 0.42857878740610 0.17732543246506 0.58806436433404 15.999 2 O 0.17732543246505 0.58806436433404 0.42857878740609 15.999 3 O 0.58806436433404 0.42857878740610 0.17732543246505 15.999 4 O 0.57142121259391 0.82267456753495 0.41193563566596 15.999 5 O 0.82267456753495 0.41193563566596 0.57142121259390 15.999 6 O 0.41193563566596 0.57142121259390 0.82267456753495 15.999 *7 O 0.04718102650292 0.92344377927838 0.69005146804559 15.999 8 O 0.30994853195441 0.95281897349708 0.07655622072162 15.999 9 O 0.07655622072162 0.30994853195441 0.95281897349708 15.999 10 O 0.95281897349708 0.07655622072163 0.30994853195441 15.999 11 O 0.69005146804559 0.04718102650292 0.92344377927838 15.999 12 O 0.92344377927838 0.69005146804559 0.04718102650292 15.999 *13 Y 0.67920502000526 0.38968449526809 0.85500491841404 88.906 14 Y 0.38968449526809 0.85500491841404 0.67920502000526 88.906 15 Y 0.85500491841404 0.67920502000526 0.38968449526809 88.906 16 Y 0.32079497999474 0.61031550473191 0.14499508158596 88.906 17 Y 0.61031550473191 0.14499508158596 0.32079497999474 88.906 18 Y 0.14499508158596 0.32079497999474 0.61031550473191 88.906 *19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.878506128741206 0.000000000000000 0.000000000000000 b -4.939253064370603 8.555037258930154 0.000000000000000 c 0.000000000000000 0.000000000000000 9.316278150000000 Atomic positions (fractional): *1 O 0.03058925933770 0.80992516373436 0.39798952806839 15.999 > 1 2 O 0.77933590439666 0.96941074066230 0.39798952806839 15.999 > 2 3 O 0.19007483626564 0.22066409560334 0.39798952806839 15.999 > 3 4 O 0.96941074066230 0.19007483626564 0.60201047193160 15.999 > 4 5 O 0.22066409560334 0.03058925933770 0.60201047193160 15.999 > 5 6 O 0.80992516373436 0.77933590439666 0.60201047193160 15.999 > 6 *7 O 0.49362226856063 0.86350728989671 0.55355875794230 15.999 > 7 8 O 0.86350728989671 0.36988502133608 0.44644124205770 15.999 > 8 9 O 0.63011497866392 0.49362226856063 0.44644124205770 15.999 > 9 10 O 0.50637773143937 0.13649271010329 0.44644124205770 15.999 > 10 11 O 0.13649271010329 0.63011497866392 0.55355875794230 15.999 > 11 12 O 0.36988502133608 0.50637773143937 0.55355875794230 15.999 > 12 13 O 0.69725592600437 0.14325849706769 0.73132286140173 15.999 > 1 14 O 0.44600257106332 0.30274407399563 0.73132286140173 15.999 > 2 15 O 0.85674150293231 0.55399742893668 0.73132286140173 15.999 > 3 16 O 0.63607740732897 0.52340816959898 0.93534380526494 15.999 > 4 17 O 0.88733076227001 0.36392259267103 0.93534380526494 15.999 > 5 18 O 0.47659183040102 0.11266923772999 0.93534380526494 15.999 > 6 19 O 0.16028893522729 0.19684062323004 0.88689209127563 15.999 > 7 20 O 0.53017395656337 0.70321835466941 0.77977457539104 15.999 > 8 21 O 0.29678164533059 0.82695560189396 0.77977457539104 15.999 > 9 22 O 0.17304439810604 0.46982604343663 0.77977457539104 15.999 > 10 23 O 0.80315937676996 0.96344831199725 0.88689209127563 15.999 > 11 24 O 0.03655168800275 0.83971106477271 0.88689209127563 15.999 > 12 25 O 0.36392259267103 0.47659183040102 0.06465619473506 15.999 > 1 26 O 0.11266923772999 0.63607740732897 0.06465619473506 15.999 > 2 27 O 0.52340816959898 0.88733076227001 0.06465619473506 15.999 > 3 28 O 0.30274407399563 0.85674150293231 0.26867713859827 15.999 > 4 29 O 0.55399742893668 0.69725592600437 0.26867713859827 15.999 > 5 30 O 0.14325849706769 0.44600257106332 0.26867713859827 15.999 > 6 31 O 0.82695560189396 0.53017395656337 0.22022542460896 15.999 > 7 32 O 0.19684062323004 0.03655168800275 0.11310790872437 15.999 > 8 33 O 0.96344831199725 0.16028893522729 0.11310790872437 15.999 > 9 34 O 0.83971106477271 0.80315937676996 0.11310790872437 15.999 > 10 35 O 0.46982604343663 0.29678164533059 0.22022542460896 15.999 > 11 36 O 0.70321835466941 0.17304439810604 0.22022542460896 15.999 > 12 *37 Y 0.03790687544280 0.78629322614843 0.64129814456246 88.906 > 13 38 Y 0.74838635070563 0.96209312455720 0.64129814456246 88.906 > 14 39 Y 0.21370677385157 0.25161364929437 0.64129814456246 88.906 > 15 40 Y 0.96209312455720 0.21370677385157 0.35870185543754 88.906 > 16 41 Y 0.25161364929437 0.03790687544280 0.35870185543754 88.906 > 17 42 Y 0.78629322614843 0.74838635070563 0.35870185543754 88.906 > 18 43 Y 0.70457354210947 0.11962655948176 0.97463147789580 88.906 > 13 44 Y 0.41505301737229 0.29542645789053 0.97463147789580 88.906 > 14 45 Y 0.88037344051824 0.58494698262771 0.97463147789580 88.906 > 15 46 Y 0.62875979122387 0.54704010718491 0.69203518877087 88.906 > 16 47 Y 0.91828031596104 0.37124020877613 0.69203518877087 88.906 > 17 48 Y 0.45295989281509 0.08171968403896 0.69203518877087 88.906 > 18 49 Y 0.37124020877613 0.45295989281509 0.30796481122913 88.906 > 13 50 Y 0.08171968403896 0.62875979122387 0.30796481122913 88.906 > 14 51 Y 0.54704010718491 0.91828031596104 0.30796481122913 88.906 > 15 52 Y 0.29542645789053 0.88037344051824 0.02536852210420 88.906 > 16 53 Y 0.58494698262771 0.70457354210947 0.02536852210420 88.906 > 17 54 Y 0.11962655948176 0.41505301737229 0.02536852210420 88.906 > 18 *55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 56 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 19 57 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.878506128741206 0.000000000000000 0.000000000000000 b -4.939253064370603 8.555037258930154 0.000000000000000 c 0.000000000000000 0.000000000000000 18.632556300000001 Atomic positions (fractional): *1 O 0.03058925933770 0.80992516373436 0.19899476403420 15.999 > 1 2 O 0.03058925933770 0.80992516373436 0.69899476403420 15.999 > 1 3 O 0.77933590439666 0.96941074066230 0.19899476403420 15.999 > 2 4 O 0.77933590439666 0.96941074066230 0.69899476403420 15.999 > 2 5 O 0.19007483626564 0.22066409560334 0.19899476403420 15.999 > 3 6 O 0.19007483626564 0.22066409560334 0.69899476403420 15.999 > 3 7 O 0.96941074066230 0.19007483626564 0.30100523596580 15.999 > 4 8 O 0.96941074066230 0.19007483626564 0.80100523596580 15.999 > 4 9 O 0.22066409560334 0.03058925933770 0.30100523596580 15.999 > 5 10 O 0.22066409560334 0.03058925933770 0.80100523596580 15.999 > 5 11 O 0.80992516373436 0.77933590439666 0.30100523596580 15.999 > 6 12 O 0.80992516373436 0.77933590439666 0.80100523596580 15.999 > 6 *13 O 0.49362226856063 0.86350728989671 0.27677937897115 15.999 > 7 14 O 0.49362226856063 0.86350728989671 0.77677937897115 15.999 > 7 15 O 0.86350728989671 0.36988502133608 0.22322062102885 15.999 > 8 16 O 0.86350728989671 0.36988502133608 0.72322062102885 15.999 > 8 17 O 0.63011497866392 0.49362226856063 0.22322062102885 15.999 > 9 18 O 0.63011497866392 0.49362226856063 0.72322062102885 15.999 > 9 19 O 0.50637773143937 0.13649271010329 0.22322062102885 15.999 > 10 20 O 0.50637773143937 0.13649271010329 0.72322062102885 15.999 > 10 21 O 0.13649271010329 0.63011497866392 0.27677937897115 15.999 > 11 22 O 0.13649271010329 0.63011497866392 0.77677937897115 15.999 > 11 23 O 0.36988502133608 0.50637773143937 0.27677937897115 15.999 > 12 24 O 0.36988502133608 0.50637773143937 0.77677937897115 15.999 > 12 25 O 0.69725592600437 0.14325849706769 0.36566143070086 15.999 > 1 26 O 0.69725592600437 0.14325849706769 0.86566143070086 15.999 > 1 27 O 0.44600257106332 0.30274407399563 0.36566143070086 15.999 > 2 28 O 0.44600257106332 0.30274407399563 0.86566143070086 15.999 > 2 29 O 0.85674150293231 0.55399742893668 0.36566143070086 15.999 > 3 30 O 0.85674150293231 0.55399742893668 0.86566143070086 15.999 > 3 31 O 0.63607740732897 0.52340816959898 0.46767190263247 15.999 > 4 32 O 0.63607740732897 0.52340816959898 0.96767190263247 15.999 > 4 33 O 0.88733076227001 0.36392259267103 0.46767190263247 15.999 > 5 34 O 0.88733076227001 0.36392259267103 0.96767190263247 15.999 > 5 35 O 0.47659183040102 0.11266923772999 0.46767190263247 15.999 > 6 36 O 0.47659183040102 0.11266923772999 0.96767190263247 15.999 > 6 37 O 0.16028893522729 0.19684062323004 0.44344604563781 15.999 > 7 38 O 0.16028893522729 0.19684062323004 0.94344604563781 15.999 > 7 39 O 0.53017395656337 0.70321835466941 0.38988728769552 15.999 > 8 40 O 0.53017395656337 0.70321835466941 0.88988728769552 15.999 > 8 41 O 0.29678164533059 0.82695560189396 0.38988728769552 15.999 > 9 42 O 0.29678164533059 0.82695560189396 0.88988728769552 15.999 > 9 43 O 0.17304439810604 0.46982604343663 0.38988728769552 15.999 > 10 44 O 0.17304439810604 0.46982604343663 0.88988728769552 15.999 > 10 45 O 0.80315937676996 0.96344831199725 0.44344604563781 15.999 > 11 46 O 0.80315937676996 0.96344831199725 0.94344604563781 15.999 > 11 47 O 0.03655168800275 0.83971106477271 0.44344604563781 15.999 > 12 48 O 0.03655168800275 0.83971106477271 0.94344604563781 15.999 > 12 49 O 0.36392259267103 0.47659183040102 0.03232809736753 15.999 > 1 50 O 0.36392259267103 0.47659183040102 0.53232809736753 15.999 > 1 51 O 0.11266923772999 0.63607740732897 0.03232809736753 15.999 > 2 52 O 0.11266923772999 0.63607740732897 0.53232809736753 15.999 > 2 53 O 0.52340816959898 0.88733076227001 0.03232809736753 15.999 > 3 54 O 0.52340816959898 0.88733076227001 0.53232809736753 15.999 > 3 55 O 0.30274407399563 0.85674150293231 0.13433856929914 15.999 > 4 56 O 0.30274407399563 0.85674150293231 0.63433856929914 15.999 > 4 57 O 0.55399742893668 0.69725592600437 0.13433856929914 15.999 > 5 58 O 0.55399742893668 0.69725592600437 0.63433856929914 15.999 > 5 59 O 0.14325849706769 0.44600257106332 0.13433856929914 15.999 > 6 60 O 0.14325849706769 0.44600257106332 0.63433856929914 15.999 > 6 61 O 0.82695560189396 0.53017395656337 0.11011271230448 15.999 > 7 62 O 0.82695560189396 0.53017395656337 0.61011271230448 15.999 > 7 63 O 0.19684062323004 0.03655168800275 0.05655395436219 15.999 > 8 64 O 0.19684062323004 0.03655168800275 0.55655395436219 15.999 > 8 65 O 0.96344831199725 0.16028893522729 0.05655395436219 15.999 > 9 66 O 0.96344831199725 0.16028893522729 0.55655395436219 15.999 > 9 67 O 0.83971106477271 0.80315937676996 0.05655395436219 15.999 > 10 68 O 0.83971106477271 0.80315937676996 0.55655395436219 15.999 > 10 69 O 0.46982604343663 0.29678164533059 0.11011271230448 15.999 > 11 70 O 0.46982604343663 0.29678164533059 0.61011271230448 15.999 > 11 71 O 0.70321835466941 0.17304439810604 0.11011271230448 15.999 > 12 72 O 0.70321835466941 0.17304439810604 0.61011271230448 15.999 > 12 *73 Y 0.03790687544280 0.78629322614843 0.32064907228123 88.906 > 13 74 Y 0.03790687544280 0.78629322614843 0.82064907228123 88.906 > 13 75 Y 0.74838635070563 0.96209312455720 0.32064907228123 88.906 > 14 76 Y 0.74838635070563 0.96209312455720 0.82064907228123 88.906 > 14 77 Y 0.21370677385157 0.25161364929437 0.32064907228123 88.906 > 15 78 Y 0.21370677385157 0.25161364929437 0.82064907228123 88.906 > 15 79 Y 0.96209312455720 0.21370677385157 0.17935092771877 88.906 > 16 80 Y 0.96209312455720 0.21370677385157 0.67935092771877 88.906 > 16 81 Y 0.25161364929437 0.03790687544280 0.17935092771877 88.906 > 17 82 Y 0.25161364929437 0.03790687544280 0.67935092771877 88.906 > 17 83 Y 0.78629322614843 0.74838635070563 0.17935092771877 88.906 > 18 84 Y 0.78629322614843 0.74838635070563 0.67935092771877 88.906 > 18 85 Y 0.70457354210947 0.11962655948176 0.48731573894790 88.906 > 13 86 Y 0.70457354210947 0.11962655948176 0.98731573894790 88.906 > 13 87 Y 0.41505301737229 0.29542645789053 0.48731573894790 88.906 > 14 88 Y 0.41505301737229 0.29542645789053 0.98731573894790 88.906 > 14 89 Y 0.88037344051824 0.58494698262771 0.48731573894790 88.906 > 15 90 Y 0.88037344051824 0.58494698262771 0.98731573894790 88.906 > 15 91 Y 0.62875979122387 0.54704010718491 0.34601759438543 88.906 > 16 92 Y 0.62875979122387 0.54704010718491 0.84601759438543 88.906 > 16 93 Y 0.91828031596104 0.37124020877613 0.34601759438543 88.906 > 17 94 Y 0.91828031596104 0.37124020877613 0.84601759438543 88.906 > 17 95 Y 0.45295989281509 0.08171968403896 0.34601759438543 88.906 > 18 96 Y 0.45295989281509 0.08171968403896 0.84601759438543 88.906 > 18 97 Y 0.37124020877613 0.45295989281509 0.15398240561457 88.906 > 13 98 Y 0.37124020877613 0.45295989281509 0.65398240561457 88.906 > 13 99 Y 0.08171968403896 0.62875979122387 0.15398240561457 88.906 > 14 100 Y 0.08171968403896 0.62875979122387 0.65398240561457 88.906 > 14 101 Y 0.54704010718491 0.91828031596104 0.15398240561457 88.906 > 15 102 Y 0.54704010718491 0.91828031596104 0.65398240561457 88.906 > 15 103 Y 0.29542645789053 0.88037344051824 0.01268426105210 88.906 > 16 104 Y 0.29542645789053 0.88037344051824 0.51268426105210 88.906 > 16 105 Y 0.58494698262771 0.70457354210947 0.01268426105210 88.906 > 17 106 Y 0.58494698262771 0.70457354210947 0.51268426105210 88.906 > 17 107 Y 0.11962655948176 0.41505301737229 0.01268426105210 88.906 > 18 108 Y 0.11962655948176 0.41505301737229 0.51268426105210 88.906 > 18 *109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 19 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 19 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 19 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 19 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6166592 0.0000022 0.0000000 -0.0000022 4.6166592 0.0000000 0.0000000 0.0000000 4.3324934 -------------------------- Born effective charges -------------------------- 1 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 2 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 3 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 4 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 5 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 6 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 7 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 8 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 9 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 10 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 11 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 12 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 13 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 14 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 15 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 16 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 17 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 18 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 19 U 6.1842120 0.2377179 0.0000000 -0.2377179 6.1842120 0.0000000 0.0000000 -0.0000000 4.5589345 ---------------------------------------------------------------------------- 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: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 2.501 Solver_block: 200 / 400 - Time: 2.529 Solver_block: 300 / 400 - Time: 2.532 Solver_block: 400 / 400 - Time: 2.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.146 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:30:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:30:47]------------------------- 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): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.939253064370607 2.851679086310048 3.105426049999997 b -4.939253064370598 2.851679086310048 3.105426049999997 c 0.000000000000005 -5.703358172620105 3.105426049999997 Atomic positions (fractional): 1 O 0.42857878740610 0.17732543246506 0.58806436433404 15.999 2 O 0.17732543246505 0.58806436433404 0.42857878740609 15.999 3 O 0.58806436433404 0.42857878740610 0.17732543246505 15.999 4 O 0.57142121259391 0.82267456753495 0.41193563566596 15.999 5 O 0.82267456753495 0.41193563566596 0.57142121259390 15.999 6 O 0.41193563566596 0.57142121259390 0.82267456753495 15.999 7 O 0.04718102650292 0.92344377927838 0.69005146804559 15.999 8 O 0.30994853195441 0.95281897349708 0.07655622072162 15.999 9 O 0.07655622072162 0.30994853195441 0.95281897349708 15.999 10 O 0.95281897349708 0.07655622072163 0.30994853195441 15.999 11 O 0.69005146804559 0.04718102650292 0.92344377927838 15.999 12 O 0.92344377927838 0.69005146804559 0.04718102650292 15.999 13 Y 0.67920502000526 0.38968449526809 0.85500491841404 88.906 14 Y 0.38968449526809 0.85500491841404 0.67920502000526 88.906 15 Y 0.85500491841404 0.67920502000526 0.38968449526809 88.906 16 Y 0.32079497999474 0.61031550473191 0.14499508158596 88.906 17 Y 0.61031550473191 0.14499508158596 0.32079497999474 88.906 18 Y 0.14499508158596 0.32079497999474 0.61031550473191 88.906 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.878506128741206 0.000000000000000 0.000000000000000 b -4.939253064370603 8.555037258930154 0.000000000000000 c 0.000000000000000 0.000000000000000 18.632556300000001 Atomic positions (fractional): 1 O 0.03058925933770 0.80992516373436 0.19899476403420 15.999 > 1 2 O 0.03058925933770 0.80992516373436 0.69899476403420 15.999 > 1 3 O 0.77933590439666 0.96941074066230 0.19899476403420 15.999 > 3 4 O 0.77933590439666 0.96941074066230 0.69899476403420 15.999 > 3 5 O 0.19007483626564 0.22066409560334 0.19899476403420 15.999 > 5 6 O 0.19007483626564 0.22066409560334 0.69899476403420 15.999 > 5 7 O 0.96941074066230 0.19007483626564 0.30100523596580 15.999 > 7 8 O 0.96941074066230 0.19007483626564 0.80100523596580 15.999 > 7 9 O 0.22066409560334 0.03058925933770 0.30100523596580 15.999 > 9 10 O 0.22066409560334 0.03058925933770 0.80100523596580 15.999 > 9 11 O 0.80992516373436 0.77933590439666 0.30100523596580 15.999 > 11 12 O 0.80992516373436 0.77933590439666 0.80100523596580 15.999 > 11 13 O 0.49362226856063 0.86350728989671 0.27677937897115 15.999 > 13 14 O 0.49362226856063 0.86350728989671 0.77677937897115 15.999 > 13 15 O 0.86350728989671 0.36988502133608 0.22322062102885 15.999 > 15 16 O 0.86350728989671 0.36988502133608 0.72322062102885 15.999 > 15 17 O 0.63011497866392 0.49362226856063 0.22322062102885 15.999 > 17 18 O 0.63011497866392 0.49362226856063 0.72322062102885 15.999 > 17 19 O 0.50637773143937 0.13649271010329 0.22322062102885 15.999 > 19 20 O 0.50637773143937 0.13649271010329 0.72322062102885 15.999 > 19 21 O 0.13649271010329 0.63011497866392 0.27677937897115 15.999 > 21 22 O 0.13649271010329 0.63011497866392 0.77677937897115 15.999 > 21 23 O 0.36988502133608 0.50637773143937 0.27677937897115 15.999 > 23 24 O 0.36988502133608 0.50637773143937 0.77677937897115 15.999 > 23 25 O 0.69725592600437 0.14325849706769 0.36566143070086 15.999 > 1 26 O 0.69725592600437 0.14325849706769 0.86566143070086 15.999 > 1 27 O 0.44600257106332 0.30274407399563 0.36566143070086 15.999 > 3 28 O 0.44600257106332 0.30274407399563 0.86566143070086 15.999 > 3 29 O 0.85674150293231 0.55399742893668 0.36566143070086 15.999 > 5 30 O 0.85674150293231 0.55399742893668 0.86566143070086 15.999 > 5 31 O 0.63607740732897 0.52340816959898 0.46767190263247 15.999 > 7 32 O 0.63607740732897 0.52340816959898 0.96767190263247 15.999 > 7 33 O 0.88733076227001 0.36392259267103 0.46767190263247 15.999 > 9 34 O 0.88733076227001 0.36392259267103 0.96767190263247 15.999 > 9 35 O 0.47659183040102 0.11266923772999 0.46767190263247 15.999 > 11 36 O 0.47659183040102 0.11266923772999 0.96767190263247 15.999 > 11 37 O 0.16028893522729 0.19684062323004 0.44344604563781 15.999 > 13 38 O 0.16028893522729 0.19684062323004 0.94344604563781 15.999 > 13 39 O 0.53017395656337 0.70321835466941 0.38988728769552 15.999 > 15 40 O 0.53017395656337 0.70321835466941 0.88988728769552 15.999 > 15 41 O 0.29678164533059 0.82695560189396 0.38988728769552 15.999 > 17 42 O 0.29678164533059 0.82695560189396 0.88988728769552 15.999 > 17 43 O 0.17304439810604 0.46982604343663 0.38988728769552 15.999 > 19 44 O 0.17304439810604 0.46982604343663 0.88988728769552 15.999 > 19 45 O 0.80315937676996 0.96344831199725 0.44344604563781 15.999 > 21 46 O 0.80315937676996 0.96344831199725 0.94344604563781 15.999 > 21 47 O 0.03655168800275 0.83971106477271 0.44344604563781 15.999 > 23 48 O 0.03655168800275 0.83971106477271 0.94344604563781 15.999 > 23 49 O 0.36392259267103 0.47659183040102 0.03232809736753 15.999 > 1 50 O 0.36392259267103 0.47659183040102 0.53232809736753 15.999 > 1 51 O 0.11266923772999 0.63607740732897 0.03232809736753 15.999 > 3 52 O 0.11266923772999 0.63607740732897 0.53232809736753 15.999 > 3 53 O 0.52340816959898 0.88733076227001 0.03232809736753 15.999 > 5 54 O 0.52340816959898 0.88733076227001 0.53232809736753 15.999 > 5 55 O 0.30274407399563 0.85674150293231 0.13433856929914 15.999 > 7 56 O 0.30274407399563 0.85674150293231 0.63433856929914 15.999 > 7 57 O 0.55399742893668 0.69725592600437 0.13433856929914 15.999 > 9 58 O 0.55399742893668 0.69725592600437 0.63433856929914 15.999 > 9 59 O 0.14325849706769 0.44600257106332 0.13433856929914 15.999 > 11 60 O 0.14325849706769 0.44600257106332 0.63433856929914 15.999 > 11 61 O 0.82695560189396 0.53017395656337 0.11011271230448 15.999 > 13 62 O 0.82695560189396 0.53017395656337 0.61011271230448 15.999 > 13 63 O 0.19684062323004 0.03655168800275 0.05655395436219 15.999 > 15 64 O 0.19684062323004 0.03655168800275 0.55655395436219 15.999 > 15 65 O 0.96344831199725 0.16028893522729 0.05655395436219 15.999 > 17 66 O 0.96344831199725 0.16028893522729 0.55655395436219 15.999 > 17 67 O 0.83971106477271 0.80315937676996 0.05655395436219 15.999 > 19 68 O 0.83971106477271 0.80315937676996 0.55655395436219 15.999 > 19 69 O 0.46982604343663 0.29678164533059 0.11011271230448 15.999 > 21 70 O 0.46982604343663 0.29678164533059 0.61011271230448 15.999 > 21 71 O 0.70321835466941 0.17304439810604 0.11011271230448 15.999 > 23 72 O 0.70321835466941 0.17304439810604 0.61011271230448 15.999 > 23 73 Y 0.03790687544280 0.78629322614843 0.32064907228123 88.906 > 73 74 Y 0.03790687544280 0.78629322614843 0.82064907228123 88.906 > 73 75 Y 0.74838635070563 0.96209312455720 0.32064907228123 88.906 > 75 76 Y 0.74838635070563 0.96209312455720 0.82064907228123 88.906 > 75 77 Y 0.21370677385157 0.25161364929437 0.32064907228123 88.906 > 77 78 Y 0.21370677385157 0.25161364929437 0.82064907228123 88.906 > 77 79 Y 0.96209312455720 0.21370677385157 0.17935092771877 88.906 > 79 80 Y 0.96209312455720 0.21370677385157 0.67935092771877 88.906 > 79 81 Y 0.25161364929437 0.03790687544280 0.17935092771877 88.906 > 81 82 Y 0.25161364929437 0.03790687544280 0.67935092771877 88.906 > 81 83 Y 0.78629322614843 0.74838635070563 0.17935092771877 88.906 > 83 84 Y 0.78629322614843 0.74838635070563 0.67935092771877 88.906 > 83 85 Y 0.70457354210947 0.11962655948176 0.48731573894790 88.906 > 73 86 Y 0.70457354210947 0.11962655948176 0.98731573894790 88.906 > 73 87 Y 0.41505301737229 0.29542645789053 0.48731573894790 88.906 > 75 88 Y 0.41505301737229 0.29542645789053 0.98731573894790 88.906 > 75 89 Y 0.88037344051824 0.58494698262771 0.48731573894790 88.906 > 77 90 Y 0.88037344051824 0.58494698262771 0.98731573894790 88.906 > 77 91 Y 0.62875979122387 0.54704010718491 0.34601759438543 88.906 > 79 92 Y 0.62875979122387 0.54704010718491 0.84601759438543 88.906 > 79 93 Y 0.91828031596104 0.37124020877613 0.34601759438543 88.906 > 81 94 Y 0.91828031596104 0.37124020877613 0.84601759438543 88.906 > 81 95 Y 0.45295989281509 0.08171968403896 0.34601759438543 88.906 > 83 96 Y 0.45295989281509 0.08171968403896 0.84601759438543 88.906 > 83 97 Y 0.37124020877613 0.45295989281509 0.15398240561457 88.906 > 73 98 Y 0.37124020877613 0.45295989281509 0.65398240561457 88.906 > 73 99 Y 0.08171968403896 0.62875979122387 0.15398240561457 88.906 > 75 100 Y 0.08171968403896 0.62875979122387 0.65398240561457 88.906 > 75 101 Y 0.54704010718491 0.91828031596104 0.15398240561457 88.906 > 77 102 Y 0.54704010718491 0.91828031596104 0.65398240561457 88.906 > 77 103 Y 0.29542645789053 0.88037344051824 0.01268426105210 88.906 > 79 104 Y 0.29542645789053 0.88037344051824 0.51268426105210 88.906 > 79 105 Y 0.58494698262771 0.70457354210947 0.01268426105210 88.906 > 81 106 Y 0.58494698262771 0.70457354210947 0.51268426105210 88.906 > 81 107 Y 0.11962655948176 0.41505301737229 0.01268426105210 88.906 > 83 108 Y 0.11962655948176 0.41505301737229 0.51268426105210 88.906 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6166592 0.0000022 0.0000000 -0.0000022 4.6166592 0.0000000 0.0000000 0.0000000 4.3324934 -------------------------- Born effective charges -------------------------- 1 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 2 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 3 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 4 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 5 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 6 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 7 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 8 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 9 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 10 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 11 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 12 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 13 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 14 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 15 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 16 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 17 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 18 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 19 U 6.1842120 0.2377179 0.0000000 -0.2377179 6.1842120 0.0000000 0.0000000 -0.0000000 4.5589345 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 06:31:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:31:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.939253064370607 2.851679086310048 3.105426049999997 b -4.939253064370598 2.851679086310048 3.105426049999997 c 0.000000000000005 -5.703358172620105 3.105426049999997 Atomic positions (fractional): 1 O 0.42857878740610 0.17732543246506 0.58806436433404 15.999 2 O 0.17732543246505 0.58806436433404 0.42857878740609 15.999 3 O 0.58806436433404 0.42857878740610 0.17732543246505 15.999 4 O 0.57142121259391 0.82267456753495 0.41193563566596 15.999 5 O 0.82267456753495 0.41193563566596 0.57142121259390 15.999 6 O 0.41193563566596 0.57142121259390 0.82267456753495 15.999 7 O 0.04718102650292 0.92344377927838 0.69005146804559 15.999 8 O 0.30994853195441 0.95281897349708 0.07655622072162 15.999 9 O 0.07655622072162 0.30994853195441 0.95281897349708 15.999 10 O 0.95281897349708 0.07655622072163 0.30994853195441 15.999 11 O 0.69005146804559 0.04718102650292 0.92344377927838 15.999 12 O 0.92344377927838 0.69005146804559 0.04718102650292 15.999 13 Y 0.67920502000526 0.38968449526809 0.85500491841404 88.906 14 Y 0.38968449526809 0.85500491841404 0.67920502000526 88.906 15 Y 0.85500491841404 0.67920502000526 0.38968449526809 88.906 16 Y 0.32079497999474 0.61031550473191 0.14499508158596 88.906 17 Y 0.61031550473191 0.14499508158596 0.32079497999474 88.906 18 Y 0.14499508158596 0.32079497999474 0.61031550473191 88.906 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.878506128741206 0.000000000000000 0.000000000000000 b -4.939253064370603 8.555037258930154 0.000000000000000 c 0.000000000000000 0.000000000000000 18.632556300000001 Atomic positions (fractional): 1 O 0.03058925933770 0.80992516373436 0.19899476403420 15.999 > 1 2 O 0.03058925933770 0.80992516373436 0.69899476403420 15.999 > 1 3 O 0.77933590439666 0.96941074066230 0.19899476403420 15.999 > 3 4 O 0.77933590439666 0.96941074066230 0.69899476403420 15.999 > 3 5 O 0.19007483626564 0.22066409560334 0.19899476403420 15.999 > 5 6 O 0.19007483626564 0.22066409560334 0.69899476403420 15.999 > 5 7 O 0.96941074066230 0.19007483626564 0.30100523596580 15.999 > 7 8 O 0.96941074066230 0.19007483626564 0.80100523596580 15.999 > 7 9 O 0.22066409560334 0.03058925933770 0.30100523596580 15.999 > 9 10 O 0.22066409560334 0.03058925933770 0.80100523596580 15.999 > 9 11 O 0.80992516373436 0.77933590439666 0.30100523596580 15.999 > 11 12 O 0.80992516373436 0.77933590439666 0.80100523596580 15.999 > 11 13 O 0.49362226856063 0.86350728989671 0.27677937897115 15.999 > 13 14 O 0.49362226856063 0.86350728989671 0.77677937897115 15.999 > 13 15 O 0.86350728989671 0.36988502133608 0.22322062102885 15.999 > 15 16 O 0.86350728989671 0.36988502133608 0.72322062102885 15.999 > 15 17 O 0.63011497866392 0.49362226856063 0.22322062102885 15.999 > 17 18 O 0.63011497866392 0.49362226856063 0.72322062102885 15.999 > 17 19 O 0.50637773143937 0.13649271010329 0.22322062102885 15.999 > 19 20 O 0.50637773143937 0.13649271010329 0.72322062102885 15.999 > 19 21 O 0.13649271010329 0.63011497866392 0.27677937897115 15.999 > 21 22 O 0.13649271010329 0.63011497866392 0.77677937897115 15.999 > 21 23 O 0.36988502133608 0.50637773143937 0.27677937897115 15.999 > 23 24 O 0.36988502133608 0.50637773143937 0.77677937897115 15.999 > 23 25 O 0.69725592600437 0.14325849706769 0.36566143070086 15.999 > 1 26 O 0.69725592600437 0.14325849706769 0.86566143070086 15.999 > 1 27 O 0.44600257106332 0.30274407399563 0.36566143070086 15.999 > 3 28 O 0.44600257106332 0.30274407399563 0.86566143070086 15.999 > 3 29 O 0.85674150293231 0.55399742893668 0.36566143070086 15.999 > 5 30 O 0.85674150293231 0.55399742893668 0.86566143070086 15.999 > 5 31 O 0.63607740732897 0.52340816959898 0.46767190263247 15.999 > 7 32 O 0.63607740732897 0.52340816959898 0.96767190263247 15.999 > 7 33 O 0.88733076227001 0.36392259267103 0.46767190263247 15.999 > 9 34 O 0.88733076227001 0.36392259267103 0.96767190263247 15.999 > 9 35 O 0.47659183040102 0.11266923772999 0.46767190263247 15.999 > 11 36 O 0.47659183040102 0.11266923772999 0.96767190263247 15.999 > 11 37 O 0.16028893522729 0.19684062323004 0.44344604563781 15.999 > 13 38 O 0.16028893522729 0.19684062323004 0.94344604563781 15.999 > 13 39 O 0.53017395656337 0.70321835466941 0.38988728769552 15.999 > 15 40 O 0.53017395656337 0.70321835466941 0.88988728769552 15.999 > 15 41 O 0.29678164533059 0.82695560189396 0.38988728769552 15.999 > 17 42 O 0.29678164533059 0.82695560189396 0.88988728769552 15.999 > 17 43 O 0.17304439810604 0.46982604343663 0.38988728769552 15.999 > 19 44 O 0.17304439810604 0.46982604343663 0.88988728769552 15.999 > 19 45 O 0.80315937676996 0.96344831199725 0.44344604563781 15.999 > 21 46 O 0.80315937676996 0.96344831199725 0.94344604563781 15.999 > 21 47 O 0.03655168800275 0.83971106477271 0.44344604563781 15.999 > 23 48 O 0.03655168800275 0.83971106477271 0.94344604563781 15.999 > 23 49 O 0.36392259267103 0.47659183040102 0.03232809736753 15.999 > 1 50 O 0.36392259267103 0.47659183040102 0.53232809736753 15.999 > 1 51 O 0.11266923772999 0.63607740732897 0.03232809736753 15.999 > 3 52 O 0.11266923772999 0.63607740732897 0.53232809736753 15.999 > 3 53 O 0.52340816959898 0.88733076227001 0.03232809736753 15.999 > 5 54 O 0.52340816959898 0.88733076227001 0.53232809736753 15.999 > 5 55 O 0.30274407399563 0.85674150293231 0.13433856929914 15.999 > 7 56 O 0.30274407399563 0.85674150293231 0.63433856929914 15.999 > 7 57 O 0.55399742893668 0.69725592600437 0.13433856929914 15.999 > 9 58 O 0.55399742893668 0.69725592600437 0.63433856929914 15.999 > 9 59 O 0.14325849706769 0.44600257106332 0.13433856929914 15.999 > 11 60 O 0.14325849706769 0.44600257106332 0.63433856929914 15.999 > 11 61 O 0.82695560189396 0.53017395656337 0.11011271230448 15.999 > 13 62 O 0.82695560189396 0.53017395656337 0.61011271230448 15.999 > 13 63 O 0.19684062323004 0.03655168800275 0.05655395436219 15.999 > 15 64 O 0.19684062323004 0.03655168800275 0.55655395436219 15.999 > 15 65 O 0.96344831199725 0.16028893522729 0.05655395436219 15.999 > 17 66 O 0.96344831199725 0.16028893522729 0.55655395436219 15.999 > 17 67 O 0.83971106477271 0.80315937676996 0.05655395436219 15.999 > 19 68 O 0.83971106477271 0.80315937676996 0.55655395436219 15.999 > 19 69 O 0.46982604343663 0.29678164533059 0.11011271230448 15.999 > 21 70 O 0.46982604343663 0.29678164533059 0.61011271230448 15.999 > 21 71 O 0.70321835466941 0.17304439810604 0.11011271230448 15.999 > 23 72 O 0.70321835466941 0.17304439810604 0.61011271230448 15.999 > 23 73 Y 0.03790687544280 0.78629322614843 0.32064907228123 88.906 > 73 74 Y 0.03790687544280 0.78629322614843 0.82064907228123 88.906 > 73 75 Y 0.74838635070563 0.96209312455720 0.32064907228123 88.906 > 75 76 Y 0.74838635070563 0.96209312455720 0.82064907228123 88.906 > 75 77 Y 0.21370677385157 0.25161364929437 0.32064907228123 88.906 > 77 78 Y 0.21370677385157 0.25161364929437 0.82064907228123 88.906 > 77 79 Y 0.96209312455720 0.21370677385157 0.17935092771877 88.906 > 79 80 Y 0.96209312455720 0.21370677385157 0.67935092771877 88.906 > 79 81 Y 0.25161364929437 0.03790687544280 0.17935092771877 88.906 > 81 82 Y 0.25161364929437 0.03790687544280 0.67935092771877 88.906 > 81 83 Y 0.78629322614843 0.74838635070563 0.17935092771877 88.906 > 83 84 Y 0.78629322614843 0.74838635070563 0.67935092771877 88.906 > 83 85 Y 0.70457354210947 0.11962655948176 0.48731573894790 88.906 > 73 86 Y 0.70457354210947 0.11962655948176 0.98731573894790 88.906 > 73 87 Y 0.41505301737229 0.29542645789053 0.48731573894790 88.906 > 75 88 Y 0.41505301737229 0.29542645789053 0.98731573894790 88.906 > 75 89 Y 0.88037344051824 0.58494698262771 0.48731573894790 88.906 > 77 90 Y 0.88037344051824 0.58494698262771 0.98731573894790 88.906 > 77 91 Y 0.62875979122387 0.54704010718491 0.34601759438543 88.906 > 79 92 Y 0.62875979122387 0.54704010718491 0.84601759438543 88.906 > 79 93 Y 0.91828031596104 0.37124020877613 0.34601759438543 88.906 > 81 94 Y 0.91828031596104 0.37124020877613 0.84601759438543 88.906 > 81 95 Y 0.45295989281509 0.08171968403896 0.34601759438543 88.906 > 83 96 Y 0.45295989281509 0.08171968403896 0.84601759438543 88.906 > 83 97 Y 0.37124020877613 0.45295989281509 0.15398240561457 88.906 > 73 98 Y 0.37124020877613 0.45295989281509 0.65398240561457 88.906 > 73 99 Y 0.08171968403896 0.62875979122387 0.15398240561457 88.906 > 75 100 Y 0.08171968403896 0.62875979122387 0.65398240561457 88.906 > 75 101 Y 0.54704010718491 0.91828031596104 0.15398240561457 88.906 > 77 102 Y 0.54704010718491 0.91828031596104 0.65398240561457 88.906 > 77 103 Y 0.29542645789053 0.88037344051824 0.01268426105210 88.906 > 79 104 Y 0.29542645789053 0.88037344051824 0.51268426105210 88.906 > 79 105 Y 0.58494698262771 0.70457354210947 0.01268426105210 88.906 > 81 106 Y 0.58494698262771 0.70457354210947 0.51268426105210 88.906 > 81 107 Y 0.11962655948176 0.41505301737229 0.01268426105210 88.906 > 83 108 Y 0.11962655948176 0.41505301737229 0.51268426105210 88.906 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6166592 0.0000022 0.0000000 -0.0000022 4.6166592 0.0000000 0.0000000 0.0000000 4.3324934 -------------------------- Born effective charges -------------------------- 1 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 2 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 3 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 4 O -2.7907226 -0.1917534 0.0735384 -0.2713984 -2.4927101 -0.1690966 -0.0203381 -0.0156555 -2.3068633 5 O -2.3666626 0.0265672 -0.1832112 -0.0530778 -2.9167701 0.0208622 -0.0033890 0.0254411 -2.3068633 6 O -2.7677638 0.2846537 0.1096727 0.2050087 -2.5156689 0.1482344 0.0237272 -0.0097856 -2.3068633 7 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 8 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 9 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 10 O -1.7574954 -0.7223672 0.3219106 -0.6855473 -2.7799296 0.9292958 0.3557702 0.9179455 -2.2738583 11 O -3.1339659 -0.1091583 -0.9657491 -0.0723384 -1.4034591 -0.1858651 -0.9728493 -0.1508667 -2.2738583 12 O -1.9146762 0.7762956 0.6438385 0.8131156 -2.6227488 -0.7434307 0.6170791 -0.7670788 -2.2738583 13 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 14 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 15 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 16 Y 4.0501283 0.1514715 -0.3394433 0.2735358 3.7093254 -0.1797642 -0.0017161 -0.4973515 3.8208992 17 Y 3.6104926 -0.0197121 0.0140413 0.1023523 4.1489611 0.3838486 -0.4298610 0.2501620 3.8208992 18 Y 3.9785597 -0.3148560 0.3254020 -0.1927916 3.7808940 -0.2040844 0.4315771 0.2471895 3.8208992 19 U 6.1842120 0.2377179 0.0000000 -0.2377179 6.1842120 0.0000000 0.0000000 -0.0000000 4.5589345 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.65, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 10.980 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 14.442 ( 0.000 0.000 0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.148 ( 0.000 0.000 0.000) 0.000 15.148 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 16.938 ( 0.000 0.000 0.000) 0.000 18.146 ( 0.000 0.000 0.000) 0.000 18.146 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 20.509 4.617 26.240) 33.623 0.702 ( 24.361 14.467 20.227) 34.812 1.134 ( 29.049 20.244 44.171) 56.610 3.327 ( -7.066 -2.675 -4.030) 8.563 3.447 ( 0.026 -0.344 3.127) 3.146 3.648 ( -0.824 -5.658 -10.753) 12.178 3.729 ( -0.734 7.770 1.529) 7.953 3.864 ( -0.460 -5.008 -10.153) 11.330 4.040 ( -4.252 -0.787 -6.542) 7.842 4.583 ( 2.689 0.510 2.381) 3.628 4.690 ( -15.074 -3.699 2.348) 15.697 4.746 ( -3.166 -1.281 -1.694) 3.812 4.874 ( 8.135 -1.566 -0.218) 8.287 5.100 ( 1.136 11.610 1.561) 11.770 5.192 ( 11.707 -1.906 -5.669) 13.147 5.881 ( 2.611 0.888 -3.399) 4.377 6.305 ( -3.279 -2.670 -12.609) 13.299 6.494 ( 10.059 5.099 -10.313) 15.282 6.691 ( -0.809 1.858 11.808) 11.981 6.755 ( -0.023 -0.231 10.163) 10.165 6.905 ( -6.831 -4.115 5.183) 9.511 7.588 ( -3.737 -7.952 -4.411) 9.832 7.671 ( -1.524 2.925 0.865) 3.410 7.820 ( -14.423 -9.907 8.571) 19.485 8.338 ( -6.274 -0.558 -1.470) 6.468 8.405 ( 1.876 2.824 -1.103) 3.565 8.590 ( 8.699 3.396 11.697) 14.967 9.484 ( -9.668 -1.917 -1.168) 9.925 9.553 ( 1.428 -5.465 -0.247) 5.654 9.770 ( 1.005 1.661 -10.773) 10.947 10.040 ( -5.526 1.687 1.019) 5.867 10.153 ( 9.328 -1.847 -2.138) 9.746 10.468 ( -6.629 -1.894 4.400) 8.179 10.664 ( -14.719 3.324 -5.264) 15.981 10.684 ( -3.364 -17.708 -2.946) 18.263 10.982 ( 2.181 0.744 -3.194) 3.939 11.192 ( -2.177 12.319 2.052) 12.677 11.242 ( 11.712 -3.743 4.660) 13.149 11.371 ( -1.673 -6.897 2.851) 7.649 11.648 ( -3.570 -7.787 4.972) 9.905 11.828 ( -11.930 15.591 18.032) 26.657 12.050 ( 2.330 4.313 3.762) 6.179 12.066 ( 17.338 -7.021 -0.373) 18.709 13.267 ( -2.153 -1.351 -1.369) 2.887 14.197 ( 10.838 10.522 -13.903) 20.529 14.739 ( -20.050 -5.036 -2.426) 20.814 14.884 ( -11.905 -11.542 6.445) 17.790 15.023 ( -0.903 -16.711 2.797) 16.967 15.204 ( 1.727 6.907 3.433) 7.905 15.744 ( 2.383 13.059 7.960) 15.478 16.193 ( 14.985 8.752 -9.946) 20.002 16.827 ( -3.303 2.019 -4.522) 5.953 16.908 ( 14.043 -4.553 -5.001) 15.586 18.128 ( -4.086 -1.550 2.060) 4.832 18.198 ( -0.325 -0.447 7.687) 7.707 19.581 ( 17.950 14.829 -29.320) 37.441 21.640 ( -0.267 -0.154 0.071) 0.316 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 19.922 6.324 25.059) 32.631 1.355 ( 21.884 12.490 18.249) 31.112 2.180 ( 24.266 14.865 40.189) 49.244 3.146 ( -7.124 -0.582 -6.277) 9.513 3.402 ( -6.701 -8.527 -7.248) 13.044 3.471 ( -4.012 2.263 -1.537) 4.856 3.614 ( 0.838 -9.361 -12.859) 15.928 3.840 ( 0.257 4.904 -5.080) 7.065 3.884 ( -5.854 5.548 -0.800) 8.105 4.457 ( -10.734 -1.979 -0.486) 10.926 4.561 ( -5.932 -8.209 1.408) 10.225 4.768 ( 2.552 4.022 -2.536) 5.397 4.956 ( 3.374 -0.117 -2.705) 4.326 5.182 ( 3.471 8.865 -0.832) 9.557 5.259 ( 4.979 -7.165 4.096) 9.639 5.834 ( 2.076 -4.167 -10.664) 11.635 6.110 ( -1.530 1.584 -6.203) 6.582 6.557 ( 8.186 6.859 -6.376) 12.438 6.776 ( -7.698 -2.893 5.734) 10.025 6.873 ( -3.894 -7.603 3.093) 9.085 6.891 ( 1.878 6.609 12.054) 13.875 7.399 ( 1.142 -12.305 -5.730) 13.622 7.672 ( -2.942 3.544 -0.351) 4.620 7.774 ( -4.640 0.188 6.346) 7.864 8.180 ( -10.734 -3.497 -3.471) 11.811 8.439 ( 2.521 4.669 -2.434) 5.838 8.857 ( 7.513 2.280 7.291) 10.715 9.332 ( -3.298 -3.998 -2.574) 5.787 9.521 ( 2.463 -5.434 -1.326) 6.112 9.729 ( 2.614 7.389 -4.920) 9.254 9.917 ( -8.914 6.163 -7.768) 13.333 10.179 ( 8.851 -6.942 -8.520) 14.111 10.408 ( -12.720 -6.408 -2.436) 14.450 10.410 ( -3.553 -10.188 3.341) 11.295 10.561 ( -4.734 -4.598 5.558) 8.628 10.967 ( 3.412 0.302 -5.036) 6.090 11.198 ( -10.688 8.216 0.183) 13.482 11.341 ( 1.118 -2.825 4.261) 5.233 11.453 ( 10.678 0.042 -1.689) 10.811 11.622 ( -3.033 -6.453 6.540) 9.675 11.961 ( -9.233 13.118 7.283) 17.617 12.219 ( 4.613 6.655 8.319) 11.610 12.324 ( 19.776 -7.868 8.683) 22.986 13.199 ( -2.151 -2.105 -2.072) 3.654 14.221 ( 2.020 10.241 -8.183) 13.264 14.359 ( -16.099 -2.103 -11.042) 19.635 14.693 ( -6.860 -17.886 0.859) 19.176 14.988 ( 0.142 -7.751 4.109) 8.774 15.365 ( 1.742 12.466 5.954) 13.925 15.927 ( 1.423 6.996 4.164) 8.265 16.288 ( 6.485 -0.243 -4.480) 7.885 16.747 ( -1.001 5.690 -3.954) 7.001 17.023 ( 17.232 -4.354 -3.898) 18.196 18.079 ( -7.100 -2.516 3.625) 8.359 18.314 ( -0.732 -2.030 10.973) 11.184 19.503 ( 6.027 10.709 -18.462) 22.178 21.635 ( -0.385 -0.222 0.102) 0.456 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 11.845 12.932 19.794) 26.445 1.931 ( 23.829 4.301 17.814) 30.061 2.824 ( 0.063 -7.882 5.867) 9.826 3.048 ( 0.191 1.751 -1.824) 2.536 3.142 ( -10.007 4.318 -1.888) 11.061 3.348 ( -1.915 -1.818 -3.758) 4.593 3.445 ( 1.639 -7.578 -5.807) 9.687 3.774 ( -2.400 7.071 3.506) 8.249 3.958 ( 0.558 7.002 1.946) 7.289 4.398 ( -4.491 -0.172 4.625) 6.449 4.454 ( 1.766 -2.448 -6.183) 6.880 4.738 ( -4.016 -0.017 -5.211) 6.579 4.865 ( 0.749 -0.674 -5.944) 6.029 5.235 ( -2.481 -9.932 -1.218) 10.309 5.344 ( 2.562 4.190 5.380) 7.285 5.615 ( 0.146 -5.263 -10.319) 11.584 6.161 ( 6.193 8.174 -0.241) 10.258 6.518 ( -8.786 -2.751 -2.958) 9.670 6.756 ( -2.321 -5.486 1.982) 6.278 6.808 ( 4.369 0.494 -1.142) 4.543 7.139 ( 5.638 7.301 8.405) 12.479 7.308 ( 2.154 -8.026 -1.872) 8.518 7.663 ( -2.289 2.785 1.102) 3.769 7.798 ( -9.735 4.660 4.579) 11.724 7.963 ( -4.021 -8.889 -4.378) 10.693 8.464 ( 1.706 3.800 -2.637) 4.930 8.968 ( 0.838 0.761 0.742) 1.354 9.309 ( 3.835 -3.583 0.729) 5.298 9.510 ( 3.362 -1.815 -2.980) 4.846 9.760 ( -4.065 7.931 -0.302) 8.917 9.810 ( 1.745 7.951 -3.055) 8.695 10.064 ( -1.437 -5.621 -6.218) 8.504 10.139 ( -8.772 -15.759 -1.614) 18.108 10.424 ( 3.573 0.085 -0.754) 3.652 10.590 ( -1.073 -3.901 8.078) 9.034 10.914 ( 0.277 -1.309 -6.606) 6.740 11.125 ( -7.504 5.369 0.794) 9.261 11.385 ( 1.913 2.626 -0.402) 3.273 11.482 ( -1.474 -6.453 2.710) 7.152 11.666 ( 2.475 0.439 1.795) 3.089 12.011 ( -4.439 6.790 2.485) 8.484 12.447 ( 4.702 5.158 8.229) 10.790 12.598 ( 12.174 -5.514 6.788) 14.990 13.154 ( 1.915 -1.802 -1.036) 2.826 13.950 ( -16.509 -2.301 -7.960) 18.472 14.286 ( 1.988 17.429 -7.549) 19.097 14.503 ( -3.477 -20.848 2.117) 21.242 14.998 ( 0.531 -3.000 2.118) 3.710 15.571 ( 0.444 14.858 6.762) 16.330 16.004 ( 8.556 -8.123 -0.658) 11.816 16.199 ( -8.106 1.004 -4.903) 9.527 16.805 ( 3.761 6.116 0.620) 7.207 17.142 ( 12.396 -2.273 -3.863) 13.181 18.020 ( -6.382 -2.106 3.409) 7.536 18.422 ( -0.719 -2.698 8.471) 8.919 19.412 ( 1.861 7.154 -11.398) 13.585 21.630 ( -0.278 -0.159 0.073) 0.329 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 0.000 0.000) 0.000 2.386 ( -0.000 -0.000 -0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 -0.000) 0.000 3.325 ( 0.000 -0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 4.101 ( -0.000 -0.000 -0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.867 ( -0.000 -0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 6.321 ( -0.000 -0.000 -0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.730 ( -0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.271 ( -0.000 0.000 0.000) 0.000 7.286 ( 0.000 -0.000 -0.000) 0.000 7.698 ( -0.000 -0.000 -0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 -0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.846 ( -0.000 -0.000 0.000) 0.000 9.947 ( -0.000 0.000 0.000) 0.000 9.988 ( 0.000 -0.000 -0.000) 0.000 10.443 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.413 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 -0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 12.022 ( -0.000 0.000 0.000) 0.000 12.567 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 -0.000) 0.000 14.370 ( -0.000 -0.000 0.000) 0.000 15.006 ( 0.000 0.000 0.000) 0.000 15.705 ( 0.000 0.000 0.000) 0.000 16.021 ( -0.000 0.000 0.000) 0.000 16.083 ( 0.000 -0.000 0.000) 0.000 16.867 ( 0.000 -0.000 0.000) 0.000 17.186 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 18.467 ( 0.000 0.000 -0.000) 0.000 19.370 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -3.783 4.393 30.083) 30.637 1.098 ( 0.880 18.230 29.539) 34.722 1.859 ( 0.787 24.822 52.301) 57.898 3.282 ( 0.273 -8.143 -4.074) 9.109 3.452 ( 1.987 -0.041 -6.603) 6.895 3.567 ( -4.988 -9.518 0.429) 10.754 3.609 ( 2.008 0.810 -13.185) 13.361 3.814 ( -0.004 4.851 0.704) 4.902 3.919 ( 2.462 -3.560 -9.700) 10.622 4.585 ( -0.826 -5.752 -8.968) 10.686 4.704 ( 7.406 0.938 4.872) 8.915 4.802 ( -6.990 2.839 -0.194) 7.547 4.866 ( -5.087 -5.051 1.468) 7.317 4.983 ( 8.198 -3.677 0.963) 9.036 5.268 ( -3.063 13.161 4.165) 14.140 5.799 ( -1.226 -2.122 -6.437) 6.888 6.229 ( -4.972 5.127 -9.402) 11.807 6.309 ( 5.541 5.765 -8.985) 12.028 6.804 ( 0.091 -6.206 9.143) 11.051 6.912 ( 2.769 -1.154 8.138) 8.674 6.996 ( -1.786 2.546 6.051) 6.804 7.529 ( -9.843 -13.257 -5.692) 17.465 7.649 ( 8.736 -1.222 -3.664) 9.552 7.766 ( -1.818 -7.267 -0.647) 7.519 8.338 ( 4.462 -1.697 -2.519) 5.398 8.427 ( -1.351 3.332 -0.790) 3.682 8.756 ( -0.789 2.314 13.172) 13.397 9.418 ( 1.600 -12.013 -4.299) 12.859 9.530 ( -5.662 -2.178 -2.838) 6.697 9.668 ( 2.268 3.867 -5.551) 7.135 9.934 ( 5.260 -2.196 -10.565) 12.004 10.117 ( -5.638 11.341 -7.231) 14.584 10.491 ( 0.859 -17.277 -5.248) 18.077 10.656 ( -2.161 -4.060 8.063) 9.283 10.722 ( -1.878 1.273 -1.921) 2.973 10.935 ( -2.029 -0.460 -2.622) 3.347 11.063 ( 8.134 -3.699 -1.562) 9.071 11.328 ( -2.328 12.028 -2.580) 12.520 11.490 ( -5.534 -11.643 8.353) 15.361 11.676 ( -0.280 -8.943 4.635) 10.077 11.905 ( 7.360 -6.894 14.710) 17.835 12.120 ( 0.535 13.563 2.642) 13.828 12.310 ( -5.544 9.384 14.219) 17.916 13.231 ( -0.355 -1.909 -3.633) 4.119 14.053 ( 3.658 15.924 -10.983) 19.687 14.616 ( 3.428 -20.020 -13.139) 24.190 14.919 ( -13.469 -7.197 -0.804) 15.292 15.112 ( 12.329 7.082 -2.614) 14.457 15.145 ( -7.022 -26.680 10.704) 29.592 15.670 ( 4.827 0.468 4.625) 6.702 16.303 ( 1.110 39.480 -6.018) 39.952 16.714 ( 2.118 -6.985 -3.018) 7.898 16.891 ( -6.569 5.224 -0.022) 8.393 18.184 ( 1.479 -6.646 5.951) 9.043 18.394 ( -2.571 6.318 13.036) 14.713 19.246 ( 3.984 15.223 -18.571) 24.341 21.640 ( 0.003 -0.366 -0.025) 0.367 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 13.734 2.740 27.663) 31.006 1.654 ( 5.977 15.992 26.542) 31.558 2.716 ( 4.724 17.019 40.391) 44.084 3.097 ( -5.962 -3.631 -8.978) 11.373 3.291 ( 3.045 -7.388 -12.684) 14.991 3.421 ( -6.476 -4.305 0.850) 7.822 3.562 ( -6.402 -1.683 -3.280) 7.388 3.704 ( 5.743 -3.434 -7.533) 10.076 3.985 ( 2.066 7.062 2.683) 7.832 4.397 ( 0.198 -3.276 -11.746) 12.196 4.578 ( -8.094 -7.733 -2.554) 11.482 4.804 ( -3.383 3.860 -1.721) 5.414 4.959 ( 3.354 0.479 8.983) 9.600 5.123 ( 8.829 -3.861 4.402) 10.595 5.315 ( -5.275 9.443 0.691) 10.838 5.637 ( -2.101 -5.112 -11.416) 12.683 6.082 ( -2.222 5.582 -6.718) 9.013 6.405 ( 12.336 7.369 -5.588) 15.417 6.831 ( -1.808 -8.029 3.701) 9.024 6.961 ( -7.369 -5.758 4.567) 10.407 7.103 ( -2.936 7.311 7.343) 10.770 7.207 ( -1.109 -11.996 -7.970) 14.445 7.704 ( 7.201 -5.943 0.145) 9.338 7.760 ( -0.596 -1.868 4.856) 5.237 8.297 ( -8.338 0.672 -5.254) 9.878 8.383 ( 0.924 0.070 -2.118) 2.312 8.934 ( 2.015 1.409 8.834) 9.170 9.262 ( -0.989 -6.304 -3.984) 7.522 9.454 ( -0.179 -2.709 -0.535) 2.767 9.700 ( 3.094 6.033 -1.467) 6.937 9.866 ( 6.920 -0.476 -11.761) 13.655 10.002 ( -5.216 8.913 -7.733) 12.902 10.298 ( -2.036 -18.001 -2.823) 18.335 10.573 ( -13.075 2.300 1.588) 13.370 10.687 ( -3.383 -4.107 2.867) 6.044 10.874 ( -0.125 -1.547 -2.412) 2.869 11.185 ( 12.976 -3.858 -5.061) 14.453 11.352 ( 1.418 4.766 -0.263) 4.979 11.416 ( -6.807 -1.434 3.285) 7.693 11.680 ( -1.208 -9.048 4.788) 10.308 12.091 ( 3.798 -9.438 8.622) 13.336 12.311 ( 2.610 18.878 5.458) 19.823 12.496 ( -5.680 5.241 17.215) 18.870 13.141 ( -0.881 -3.602 -5.151) 6.347 14.117 ( 10.241 17.634 -12.830) 24.092 14.297 ( -5.492 -14.508 -9.363) 18.119 14.683 ( -12.659 -11.915 -1.581) 17.456 15.002 ( -2.981 -12.202 4.540) 13.356 15.355 ( 15.760 2.116 3.134) 16.208 15.768 ( 5.693 -1.777 -2.662) 6.531 16.394 ( -4.556 17.785 -8.008) 20.030 16.742 ( 4.181 4.024 -0.823) 5.861 16.928 ( 0.750 6.376 8.529) 10.675 18.207 ( -3.918 -8.055 7.149) 11.461 18.510 ( -9.128 4.130 9.949) 14.119 19.233 ( 12.321 10.618 -15.443) 22.429 21.634 ( -0.045 -0.501 -0.242) 0.558 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 18.453 2.373 23.745) 30.166 2.149 ( 4.133 12.137 19.601) 23.421 2.800 ( -7.885 -5.763 -6.738) 11.866 2.955 ( -5.586 -9.674 -13.513) 17.533 3.255 ( 1.462 -4.034 -10.802) 11.623 3.346 ( -4.687 -5.632 9.372) 11.896 3.467 ( -5.273 8.692 10.826) 14.852 3.878 ( 11.082 4.605 6.125) 13.473 3.980 ( -4.868 7.127 -0.834) 8.671 4.254 ( 3.999 -8.157 -10.076) 13.567 4.518 ( -2.294 7.226 4.526) 8.829 4.791 ( -0.210 3.812 0.424) 3.842 4.901 ( -15.101 -2.868 -0.024) 15.371 5.220 ( -2.436 -4.245 3.020) 5.751 5.391 ( 0.026 -6.664 -0.866) 6.721 5.456 ( 5.603 8.581 -1.991) 10.439 6.077 ( 8.193 5.015 -6.565) 11.635 6.534 ( 4.700 3.759 -2.054) 6.359 6.665 ( -6.780 -9.102 -3.053) 11.753 6.883 ( -2.468 -5.510 4.583) 7.580 7.133 ( 3.950 -6.132 -0.316) 7.301 7.231 ( 2.907 8.702 -0.733) 9.204 7.754 ( -0.061 -4.433 6.422) 7.804 7.809 ( 4.015 -3.243 -0.718) 5.211 8.034 ( -16.769 -2.455 -4.825) 17.621 8.382 ( 4.665 -4.359 -1.688) 6.604 9.024 ( -1.701 2.517 2.789) 4.124 9.268 ( 4.283 -0.438 3.728) 5.696 9.445 ( 1.011 -1.046 -0.435) 1.518 9.770 ( 3.855 3.325 -1.388) 5.277 9.799 ( 4.134 4.267 -7.062) 9.228 9.944 ( -0.216 4.788 -5.051) 6.963 10.110 ( -4.442 -13.509 -0.638) 14.235 10.457 ( -8.977 4.868 -0.600) 10.230 10.694 ( 1.546 -2.300 3.555) 4.508 10.831 ( -2.316 -2.943 -0.068) 3.746 11.154 ( 3.102 -6.759 -5.517) 9.260 11.372 ( -1.027 12.159 -6.249) 13.709 11.434 ( 3.406 -5.688 2.900) 7.236 11.650 ( -0.533 -6.166 1.643) 6.403 12.114 ( -2.562 -7.228 4.016) 8.657 12.557 ( 2.260 12.484 5.376) 13.779 12.677 ( -2.426 3.581 12.378) 13.112 13.049 ( 3.528 -4.484 -4.486) 7.258 14.027 ( -10.563 -4.369 -5.975) 12.898 14.219 ( 9.711 17.859 -10.034) 22.670 14.423 ( -6.568 -17.890 -0.417) 19.062 14.972 ( 1.527 -8.162 2.037) 8.550 15.609 ( 17.521 -5.897 1.376) 18.538 15.730 ( -1.132 4.213 -4.036) 5.943 16.303 ( -5.191 4.117 -6.100) 9.006 16.827 ( 2.362 4.890 2.267) 5.885 17.171 ( 1.879 14.154 10.658) 17.818 18.148 ( -9.297 -7.658 4.890) 13.000 18.503 ( -4.478 1.825 -0.833) 4.906 19.283 ( 7.381 5.343 -4.273) 10.064 21.626 ( 0.149 -0.475 -0.456) 0.675 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -11.574 -6.482 -6.865) 14.937 2.386 ( -6.270 -4.598 -4.596) 9.032 2.658 ( 9.464 0.771 6.805) 11.682 2.781 ( 4.368 1.252 8.529) 9.664 3.112 ( 2.586 -1.156 -7.032) 7.581 3.414 ( -2.999 -5.480 11.661) 13.229 3.552 ( -6.553 8.705 2.834) 11.258 3.755 ( -2.052 1.318 -12.458) 12.694 4.039 ( -3.385 -11.381 -7.431) 14.007 4.277 ( 4.284 5.698 4.979) 8.695 4.530 ( -3.477 -0.278 -5.739) 6.716 4.763 ( -9.457 5.582 9.254) 14.361 4.923 ( 3.915 2.263 9.458) 10.484 5.157 ( -3.573 4.900 0.598) 6.094 5.367 ( 1.559 -4.342 1.641) 4.897 5.589 ( 2.163 5.159 2.513) 6.133 6.170 ( 13.648 -0.725 -4.154) 14.285 6.388 ( -9.516 -2.881 0.162) 9.944 6.697 ( 4.197 4.787 -2.927) 7.006 6.906 ( 3.408 -5.814 3.451) 7.572 7.123 ( 2.775 -5.820 -1.253) 6.569 7.293 ( 3.267 5.586 -3.130) 7.189 7.626 ( -7.374 -6.815 -11.401) 15.192 7.795 ( -4.197 -0.714 5.358) 6.843 7.938 ( -0.637 3.075 4.120) 5.181 8.398 ( 5.907 -10.127 2.019) 11.896 9.042 ( -4.048 4.059 2.175) 6.131 9.370 ( -0.722 2.969 2.628) 4.030 9.473 ( 6.126 -1.599 3.143) 7.068 9.732 ( -1.350 -7.031 -6.043) 9.369 9.855 ( 6.426 -0.899 -2.914) 7.113 9.918 ( -1.151 6.904 1.360) 7.131 10.056 ( 0.239 5.951 2.650) 6.519 10.409 ( -0.883 4.971 -3.406) 6.090 10.734 ( 0.884 0.176 -6.026) 6.093 10.809 ( -1.511 -3.561 10.694) 11.372 11.074 ( 1.358 -5.995 -2.802) 6.756 11.372 ( 3.172 9.657 -7.585) 12.683 11.431 ( -0.067 -2.787 -1.065) 2.984 11.628 ( 1.679 -6.657 0.174) 6.867 12.049 ( -3.710 -8.824 1.725) 9.727 12.587 ( -6.169 3.365 -4.362) 8.270 12.816 ( -4.251 6.487 6.462) 10.095 13.096 ( 9.107 0.386 -0.486) 9.128 13.813 ( -8.600 -0.684 -1.559) 8.767 14.276 ( 1.542 -15.842 1.688) 16.006 14.365 ( 8.532 15.994 -4.333) 18.638 14.955 ( 3.516 -5.489 -2.200) 6.880 15.552 ( 0.783 -13.864 -5.284) 14.858 15.867 ( 9.300 3.887 -2.099) 10.296 16.231 ( -2.785 5.739 1.563) 6.567 16.898 ( -1.816 2.772 2.457) 4.125 17.420 ( -5.848 14.382 12.875) 20.169 18.007 ( -7.140 -6.128 -1.178) 9.483 18.417 ( -0.446 2.329 -9.054) 9.360 19.382 ( 3.387 -1.325 6.646) 7.576 21.620 ( 0.481 -0.306 -0.534) 0.781 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -17.867 -13.907 -18.059) 28.962 1.940 ( -20.736 -6.765 -15.490) 26.753 2.806 ( -10.561 4.855 -11.597) 16.419 3.064 ( 2.602 -4.616 5.840) 7.886 3.142 ( 7.136 3.803 13.314) 15.577 3.392 ( -2.236 2.910 0.765) 3.749 3.582 ( 2.086 4.888 6.363) 8.291 3.746 ( 1.661 1.953 6.033) 6.556 3.843 ( 0.300 -13.415 -2.063) 13.576 4.265 ( 1.265 -0.506 -6.872) 7.006 4.467 ( 2.238 2.831 -4.044) 5.420 4.846 ( -3.240 1.393 6.709) 7.579 5.039 ( -5.703 -0.022 8.769) 10.460 5.229 ( 4.680 4.437 -3.485) 7.330 5.362 ( -5.295 1.098 1.925) 5.740 5.750 ( 7.241 8.051 9.146) 14.174 6.168 ( -3.004 -8.005 0.859) 8.593 6.437 ( 10.960 3.082 1.357) 11.465 6.684 ( -0.104 4.788 -6.494) 8.069 6.922 ( -1.399 -4.607 1.813) 5.145 7.020 ( -4.494 -5.586 -8.027) 10.762 7.350 ( 3.954 1.634 2.699) 5.059 7.443 ( 8.936 -3.134 -10.908) 14.445 7.772 ( -7.151 -0.311 2.901) 7.723 8.065 ( 1.961 7.797 7.143) 10.755 8.423 ( 4.587 -11.630 2.947) 12.845 9.037 ( -6.121 3.213 1.728) 7.125 9.356 ( -3.159 1.289 -2.914) 4.486 9.571 ( 0.043 -3.792 -5.551) 6.723 9.646 ( 6.325 -0.876 8.142) 10.347 9.833 ( -0.528 -4.247 3.339) 5.428 10.068 ( 9.097 3.906 2.109) 10.122 10.208 ( 3.952 14.402 1.898) 15.055 10.392 ( 1.579 5.142 -5.729) 7.858 10.633 ( -5.986 0.631 -2.008) 6.346 10.928 ( 8.974 -6.772 1.411) 11.331 11.048 ( -2.270 0.666 4.548) 5.126 11.373 ( 0.388 1.335 -3.606) 3.864 11.411 ( 5.602 6.165 -6.505) 10.569 11.577 ( 0.804 -10.555 -0.938) 10.627 11.954 ( -3.589 -10.894 1.810) 11.612 12.396 ( -9.476 2.773 -10.835) 14.659 12.821 ( -14.561 7.417 2.789) 16.577 13.128 ( 2.344 0.060 -4.312) 4.908 13.884 ( 13.388 0.647 7.315) 15.270 14.253 ( 2.468 -8.952 4.122) 10.160 14.542 ( 6.923 12.758 -0.394) 14.520 14.923 ( 6.525 -3.469 -6.869) 10.089 15.373 ( -3.793 -9.249 -5.251) 11.292 15.857 ( 4.059 -11.984 -3.932) 13.249 16.384 ( 2.051 15.181 5.847) 16.397 16.874 ( -8.265 0.052 2.290) 8.577 17.493 ( -18.600 3.251 8.764) 20.816 17.937 ( 3.890 2.331 -1.149) 4.678 18.295 ( 0.879 2.963 -12.019) 12.410 19.526 ( 2.054 -4.990 12.952) 14.031 21.620 ( 0.758 -0.102 -0.425) 0.875 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -20.075 -14.059 -18.882) 30.939 1.383 ( -27.066 -4.348 -15.738) 31.609 2.226 ( -44.569 -2.215 -13.183) 46.530 3.113 ( 7.234 -1.336 4.355) 8.549 3.394 ( 3.894 3.832 -1.161) 5.585 3.558 ( 6.199 7.577 9.628) 13.731 3.680 ( 3.522 -7.828 -1.190) 8.666 3.860 ( 4.963 0.974 10.280) 11.457 3.905 ( 0.549 -1.532 9.353) 9.494 4.250 ( 12.994 1.153 -6.412) 14.536 4.517 ( 5.969 5.148 0.077) 7.883 4.839 ( -5.596 -0.495 0.797) 5.674 5.019 ( -2.573 -3.691 -3.070) 5.447 5.217 ( -6.953 -2.664 4.062) 8.482 5.308 ( -2.236 3.303 -2.772) 4.858 5.981 ( -2.104 -0.052 4.127) 4.633 6.203 ( 6.060 6.436 10.707) 13.885 6.546 ( 8.480 -2.977 -8.288) 12.226 6.666 ( 1.193 -1.424 4.899) 5.239 6.794 ( -7.637 -0.789 -6.240) 9.894 6.874 ( -2.546 0.480 -4.087) 4.839 7.414 ( 14.343 -3.876 -12.237) 19.248 7.487 ( 6.218 3.245 2.622) 7.488 7.711 ( -6.769 -0.966 2.991) 7.463 8.261 ( 2.046 5.006 9.014) 10.512 8.420 ( 1.516 -4.942 0.558) 5.199 8.920 ( -13.642 -0.323 -3.314) 14.042 9.293 ( 3.677 -2.124 -2.125) 4.749 9.561 ( 1.873 4.299 -2.167) 5.166 9.758 ( 3.177 -5.543 6.860) 9.375 9.948 ( 1.946 1.990 9.340) 9.746 10.214 ( 14.053 2.126 -7.428) 16.037 10.331 ( 1.624 -3.307 -2.664) 4.546 10.371 ( 0.329 7.949 0.346) 7.963 10.612 ( 0.284 10.079 0.834) 10.117 10.972 ( 6.813 -5.967 0.440) 9.068 11.110 ( -0.461 0.920 1.583) 1.888 11.329 ( -0.414 2.401 -4.767) 5.354 11.444 ( 5.761 -4.337 -3.632) 8.074 11.512 ( 0.678 -0.755 1.223) 1.590 11.828 ( -8.716 -11.075 1.434) 14.166 12.157 ( -7.325 4.149 -9.998) 13.070 12.619 ( -22.767 3.575 -0.830) 23.061 13.151 ( 6.918 0.047 -1.483) 7.075 14.238 ( 20.054 2.088 8.618) 21.927 14.314 ( 1.381 -0.179 6.676) 6.820 14.674 ( 3.797 3.019 -0.953) 4.944 14.896 ( 12.405 -3.368 -11.477) 17.232 15.210 ( -6.269 0.677 -2.580) 6.813 15.757 ( 0.643 -14.989 0.582) 15.014 16.542 ( -5.861 14.310 0.812) 15.485 16.801 ( -5.452 -0.852 3.953) 6.788 17.298 ( -16.076 -5.365 -0.394) 16.952 18.050 ( 2.411 4.843 4.742) 7.194 18.176 ( 1.653 2.645 -10.452) 10.908 19.707 ( 1.681 -3.611 15.003) 15.523 21.626 ( 0.807 0.020 -0.203) 0.833 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -23.796 -3.495 -1.694) 24.111 0.838 ( -32.568 4.439 -3.948) 33.105 1.477 ( -55.572 -1.180 2.438) 55.638 3.296 ( 9.020 -0.262 4.550) 10.107 3.388 ( 2.361 0.346 -3.841) 4.522 3.650 ( 5.528 -1.841 -4.009) 7.072 3.772 ( 4.051 3.623 3.200) 6.307 3.916 ( -6.129 -1.750 -0.006) 6.374 4.027 ( 6.688 -0.035 1.377) 6.828 4.465 ( 19.643 -1.354 2.822) 19.891 4.630 ( 0.077 1.475 0.762) 1.662 4.798 ( -2.748 5.215 2.887) 6.564 4.858 ( -2.118 -5.706 -7.357) 9.548 5.175 ( -7.607 -0.146 6.259) 9.852 5.267 ( -0.226 0.380 -4.778) 4.798 5.940 ( -3.701 -0.151 -0.841) 3.798 6.462 ( 3.672 -5.986 -8.617) 11.116 6.485 ( 3.177 6.491 8.631) 11.257 6.679 ( -4.432 4.786 -3.252) 7.289 6.735 ( -3.782 -6.339 6.625) 9.918 6.786 ( 2.301 0.880 -3.135) 3.987 7.436 ( 14.312 1.213 -5.409) 15.348 7.595 ( 5.252 -0.203 0.558) 5.286 7.683 ( -3.216 -0.180 2.639) 4.164 8.348 ( 3.288 -8.610 1.479) 9.335 8.457 ( -3.595 10.632 2.076) 11.413 8.663 ( -16.056 -2.436 -1.815) 16.340 9.359 ( 9.533 -0.851 0.125) 9.571 9.559 ( 0.172 0.774 -2.569) 2.688 9.889 ( 5.567 -0.817 3.468) 6.610 10.004 ( -7.662 3.028 -0.206) 8.242 10.177 ( -2.809 -2.266 -2.984) 4.683 10.368 ( 20.708 0.453 -3.054) 20.937 10.485 ( 4.895 -2.484 1.929) 5.818 10.720 ( 5.783 2.752 -2.573) 6.902 11.036 ( -0.693 1.159 -1.519) 2.032 11.075 ( 1.555 -2.523 2.443) 3.841 11.269 ( 3.125 -0.658 -4.217) 5.289 11.473 ( 0.344 4.231 0.257) 4.253 11.531 ( -9.913 1.690 -0.900) 10.096 11.674 ( -3.657 -6.248 10.761) 12.969 12.037 ( -3.025 4.395 -3.619) 6.447 12.329 ( -18.930 -3.197 -3.000) 19.431 13.227 ( 5.398 0.017 0.103) 5.399 14.468 ( -0.627 4.535 10.849) 11.775 14.554 ( 3.591 -3.110 -0.619) 4.791 14.646 ( 13.996 -1.723 -2.685) 14.355 14.869 ( 15.861 0.201 -14.707) 21.631 15.201 ( -4.560 1.559 7.277) 8.728 15.705 ( -3.802 -1.750 5.332) 6.779 16.463 ( -12.856 1.823 -0.089) 12.985 16.831 ( 0.591 2.784 -0.114) 2.848 17.050 ( -9.010 -4.495 -6.066) 11.755 18.110 ( 2.680 -0.066 -4.118) 4.914 18.151 ( -0.412 0.735 4.381) 4.462 19.882 ( 2.596 0.003 3.792) 4.596 21.634 ( 0.600 0.000 -0.006) 0.600 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -15.928 5.528 26.422) 31.343 1.643 ( -5.700 17.567 26.427) 32.241 2.722 ( -6.464 18.778 41.920) 46.386 3.089 ( 8.842 -6.515 -6.841) 12.940 3.263 ( -2.636 -5.104 -11.703) 13.037 3.463 ( 8.948 -6.954 -4.483) 12.187 3.577 ( -2.881 3.013 -4.839) 6.387 3.702 ( -0.572 -8.660 -6.624) 10.918 3.870 ( 2.155 1.474 5.850) 6.406 4.385 ( 1.809 -4.471 -9.302) 10.478 4.665 ( 1.188 4.468 -7.375) 8.704 4.731 ( 8.600 -10.343 2.087) 13.612 4.932 ( 1.106 -2.820 2.256) 3.777 5.068 ( -10.991 5.539 4.907) 13.250 5.417 ( 1.144 8.841 2.993) 9.404 5.723 ( -2.341 0.705 -9.985) 10.280 6.077 ( 8.670 4.032 -6.154) 11.371 6.324 ( -13.566 2.313 -7.461) 15.655 6.851 ( 0.406 -8.819 6.394) 10.901 6.968 ( 1.434 2.790 4.841) 5.769 7.042 ( 8.077 -0.444 2.874) 8.585 7.428 ( -1.106 -1.604 -7.690) 7.933 7.553 ( -3.999 -5.410 -0.480) 6.745 7.780 ( -0.920 -8.836 5.483) 10.440 8.204 ( 7.814 -2.225 -3.406) 8.810 8.422 ( 1.279 -0.091 0.374) 1.335 8.944 ( -1.906 2.501 7.064) 7.732 9.288 ( -1.113 -3.459 -3.608) 5.121 9.567 ( -7.893 -2.565 -0.950) 8.353 9.612 ( 5.912 5.692 -2.625) 8.616 9.727 ( 0.520 -4.085 -8.487) 9.433 10.148 ( -2.489 14.990 -11.452) 19.028 10.286 ( 0.904 -16.010 -3.608) 16.437 10.633 ( 12.416 3.363 -2.720) 13.148 10.710 ( 1.681 -0.876 2.777) 3.362 10.920 ( 1.221 0.313 -0.010) 1.260 11.002 ( -6.892 -11.253 -0.237) 13.197 11.347 ( 0.006 2.001 -3.365) 3.915 11.536 ( 1.361 0.624 2.277) 2.725 11.688 ( -3.408 -6.076 1.189) 7.068 11.991 ( 3.812 -11.316 15.679) 19.708 12.299 ( -2.573 12.197 7.030) 14.311 12.612 ( -0.332 13.678 13.064) 18.917 13.163 ( -0.122 -2.031 -4.251) 4.713 13.988 ( -4.609 7.177 -12.374) 15.029 14.229 ( 9.189 -18.217 -10.360) 22.882 14.939 ( 8.844 3.041 -0.906) 9.396 15.009 ( 0.621 -5.665 2.509) 6.226 15.200 ( -12.741 -10.435 1.792) 16.566 15.788 ( -9.491 -4.545 5.329) 11.795 16.387 ( 5.344 22.737 -12.480) 26.482 16.675 ( -1.698 1.915 4.581) 5.248 17.025 ( -4.989 8.243 0.257) 9.639 18.165 ( 5.111 -7.945 5.463) 10.913 18.616 ( 9.308 8.700 14.934) 19.631 19.121 ( -11.547 3.073 -15.820) 19.825 21.634 ( 0.050 -0.506 -0.249) 0.567 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -3.577 5.893 28.768) 29.583 2.080 ( 0.128 14.674 24.782) 28.801 2.945 ( 5.014 -6.993 -7.771) 11.594 3.015 ( -7.861 -6.837 -8.589) 13.502 3.202 ( 3.275 -5.161 -8.823) 10.733 3.478 ( -2.311 -4.919 8.217) 9.852 3.583 ( 8.558 4.791 4.069) 10.618 3.626 ( -6.239 5.703 15.190) 17.384 4.016 ( 3.997 2.024 3.009) 5.397 4.214 ( -2.703 -0.099 -12.296) 12.590 4.593 ( -1.524 -1.213 -1.643) 2.548 4.733 ( 5.963 -2.611 -3.771) 7.523 5.038 ( 4.378 -2.931 7.495) 9.162 5.152 ( 1.328 2.093 9.998) 10.301 5.458 ( -5.254 6.633 -1.321) 8.564 5.529 ( -5.937 0.555 -10.414) 12.000 6.074 ( -8.924 3.416 -8.352) 12.692 6.209 ( 13.526 4.305 -3.189) 14.549 6.846 ( -1.913 -5.892 2.114) 6.546 7.030 ( -1.319 -7.425 -9.912) 12.455 7.067 ( -1.805 -1.709 6.535) 6.992 7.246 ( -5.064 0.942 1.473) 5.358 7.574 ( 7.140 0.802 -1.799) 7.407 7.802 ( 0.783 -12.371 8.546) 15.056 8.224 ( 4.474 -0.440 -4.895) 6.646 8.392 ( -5.127 -4.556 -0.177) 6.861 9.019 ( 0.302 -0.508 4.723) 4.760 9.216 ( -0.940 -0.612 -0.310) 1.164 9.486 ( -4.340 -0.874 2.763) 5.219 9.641 ( 6.445 1.840 -8.349) 10.707 9.690 ( 1.598 4.047 -1.166) 4.505 10.022 ( -5.063 9.479 -10.286) 14.876 10.155 ( 0.912 -10.465 -3.119) 10.958 10.659 ( -1.753 -1.570 -4.704) 5.260 10.716 ( 2.615 4.756 -3.551) 6.486 10.882 ( -2.777 -7.336 4.605) 9.096 10.971 ( 1.780 -3.848 -1.805) 4.608 11.352 ( 3.087 1.668 0.721) 3.582 11.478 ( -3.771 -3.839 -1.629) 5.622 11.647 ( -0.189 -4.050 -1.081) 4.196 12.119 ( 0.793 -12.588 10.360) 16.322 12.495 ( 2.183 14.486 6.520) 16.035 12.826 ( -5.760 6.503 13.466) 16.025 13.052 ( -2.265 -4.350 -6.368) 8.038 13.898 ( 8.501 13.415 -16.373) 22.811 14.085 ( 5.295 -15.671 -4.013) 17.022 14.776 ( -15.173 -7.050 -2.455) 16.910 14.994 ( -5.052 -12.293 0.708) 13.309 15.235 ( 12.498 3.702 5.442) 14.125 15.758 ( -2.552 5.242 -1.525) 6.026 16.349 ( 1.204 1.435 -8.344) 8.552 16.804 ( -1.087 14.864 2.033) 15.041 17.112 ( 1.733 7.974 9.519) 12.537 18.226 ( 3.009 -9.851 5.190) 11.534 18.801 ( -15.026 3.596 -8.047) 17.420 18.997 ( 12.728 8.933 6.087) 16.699 21.624 ( 0.014 -0.706 -0.653) 0.962 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.007 5.189 26.099) 27.077 2.449 ( -3.487 8.615 12.295) 15.413 2.698 ( -0.694 -19.382 -13.700) 23.745 2.798 ( -4.715 0.475 -6.882) 8.356 3.035 ( 2.044 -5.224 -5.082) 7.570 3.488 ( -2.239 -5.159 7.633) 9.481 3.676 ( 0.161 4.200 4.522) 6.174 3.851 ( -6.899 7.572 -5.903) 11.823 4.009 ( 2.920 -7.499 -9.185) 12.212 4.180 ( 2.279 8.507 14.177) 16.690 4.609 ( 0.112 3.753 -3.982) 5.473 4.780 ( 4.604 1.336 5.444) 7.254 5.101 ( -8.465 -2.426 4.414) 9.850 5.281 ( 2.909 -4.418 1.994) 5.653 5.326 ( -6.395 -1.604 1.303) 6.721 5.498 ( 3.257 9.802 1.691) 10.466 5.921 ( 0.564 2.880 -8.552) 9.042 6.398 ( 14.166 3.003 -0.180) 14.482 6.723 ( -12.122 -7.825 -1.058) 14.467 6.811 ( 0.873 -2.114 -8.236) 8.548 7.141 ( -0.708 -4.965 8.420) 9.801 7.254 ( -0.227 7.813 -3.719) 8.655 7.639 ( 7.408 -0.799 -4.979) 8.962 7.826 ( -0.487 -11.659 7.422) 13.830 8.142 ( -7.631 -5.766 -0.088) 9.565 8.285 ( -0.882 -5.098 -0.844) 5.242 9.084 ( 0.896 1.079 3.530) 3.798 9.270 ( 5.089 0.162 3.876) 6.399 9.463 ( -4.186 -0.084 -0.333) 4.201 9.656 ( 7.193 3.570 -3.381) 8.713 9.703 ( 2.014 0.451 -4.078) 4.571 9.969 ( -0.081 11.546 -3.729) 12.134 10.067 ( -1.446 -5.959 0.050) 6.132 10.555 ( -3.497 -2.950 -3.191) 5.578 10.694 ( -2.281 7.233 -5.156) 9.171 10.826 ( 0.404 -10.249 -2.920) 10.665 10.974 ( 3.367 -1.572 3.728) 5.264 11.387 ( -2.698 2.299 -5.198) 6.292 11.418 ( 0.935 -0.154 1.391) 1.683 11.604 ( 2.043 -4.820 -0.567) 5.265 12.107 ( -1.426 -11.873 2.358) 12.188 12.685 ( 0.411 9.787 2.548) 10.121 12.894 ( -1.983 -5.647 -2.695) 6.564 12.956 ( -3.331 4.685 8.294) 10.091 13.912 ( 9.058 9.895 -14.217) 19.547 14.065 ( 8.232 -5.652 0.027) 9.985 14.472 ( -16.527 -9.555 0.250) 19.092 14.892 ( 0.702 -9.717 -1.844) 9.916 15.453 ( 7.296 2.430 2.366) 8.046 15.754 ( 0.120 8.710 -3.195) 9.278 16.263 ( -0.222 -4.825 -1.951) 5.209 16.911 ( -0.847 9.544 3.466) 10.189 17.395 ( 5.302 14.638 11.058) 19.096 18.218 ( -2.348 -12.387 4.033) 13.236 18.514 ( -8.866 3.994 -14.957) 17.840 19.269 ( 4.446 5.341 9.897) 12.093 21.609 ( 0.305 -0.702 -0.890) 1.173 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -12.250 -15.289 -17.523) 26.284 2.377 ( -12.955 -2.161 -5.295) 14.161 2.708 ( 11.248 3.065 15.581) 19.460 2.804 ( 2.479 0.897 2.131) 3.390 3.101 ( 2.832 2.760 11.356) 12.025 3.568 ( 1.371 -5.951 10.386) 12.048 3.656 ( -9.697 10.070 -10.712) 17.612 3.763 ( -3.023 3.117 5.879) 7.309 3.862 ( 0.099 -9.609 -7.080) 11.937 4.360 ( -2.929 4.814 0.860) 5.700 4.455 ( -3.719 -1.002 -9.967) 10.685 4.962 ( -1.106 4.800 3.711) 6.168 5.054 ( 0.819 -0.486 7.671) 7.730 5.191 ( -3.441 -2.525 -2.173) 4.790 5.442 ( -0.841 1.620 9.888) 10.055 5.610 ( 3.428 3.995 0.743) 5.317 5.943 ( 12.039 0.375 -1.930) 12.199 6.495 ( -7.047 -2.015 0.503) 7.346 6.622 ( 10.862 -2.182 -0.640) 11.097 6.717 ( 0.888 4.422 -9.071) 10.131 7.167 ( -5.336 -8.539 5.017) 11.250 7.254 ( 2.675 6.833 -3.865) 8.294 7.525 ( -5.437 -3.178 -8.811) 10.830 7.859 ( 1.023 -5.441 6.117) 8.250 8.091 ( -4.502 2.079 7.549) 9.032 8.259 ( 5.319 -11.163 0.765) 12.389 9.139 ( -1.210 2.149 2.841) 3.762 9.381 ( 3.793 -0.655 -3.170) 4.986 9.437 ( 2.926 -0.990 4.361) 5.344 9.630 ( -0.172 -0.999 -5.222) 5.320 9.744 ( 5.553 2.351 -1.290) 6.166 10.008 ( -2.657 2.732 1.425) 4.069 10.097 ( 5.264 8.307 0.789) 9.866 10.456 ( -5.339 -1.070 -0.460) 5.464 10.648 ( 0.521 5.107 -6.672) 8.418 10.732 ( 7.124 -9.409 -5.946) 13.215 11.088 ( 0.090 1.292 8.780) 8.875 11.304 ( -0.365 5.189 -7.940) 9.493 11.414 ( -0.891 -3.612 1.944) 4.198 11.595 ( -0.552 -3.761 0.533) 3.839 12.001 ( -0.789 -10.791 -2.265) 11.055 12.649 ( -8.980 4.246 -5.517) 11.363 12.839 ( 5.857 -4.669 -2.158) 7.795 13.141 ( 0.881 8.803 10.124) 13.444 13.806 ( -2.391 0.646 -12.867) 13.103 14.144 ( 6.592 -5.736 2.237) 9.020 14.376 ( 0.462 1.292 6.996) 7.130 14.794 ( 2.656 -6.213 -7.398) 10.020 15.495 ( -2.631 -5.303 2.958) 6.618 15.766 ( 1.656 6.385 -7.910) 10.300 16.289 ( 4.003 1.147 5.544) 6.934 17.005 ( -2.146 5.957 3.948) 7.462 17.715 ( 3.950 15.428 10.625) 19.145 18.049 ( -12.890 -14.038 -1.102) 19.090 18.279 ( -0.216 3.822 -14.854) 15.340 19.468 ( 1.756 1.214 11.054) 11.259 21.600 ( 0.762 -0.490 -0.815) 1.219 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -17.080 -11.491 -15.631) 25.847 2.032 ( -23.184 0.019 -7.850) 24.476 2.769 ( 2.356 -2.251 -3.148) 4.531 3.131 ( 5.491 3.905 10.825) 12.750 3.315 ( -2.004 0.780 12.991) 13.168 3.478 ( -7.241 10.703 -4.825) 13.794 3.652 ( 0.267 -11.452 -5.685) 12.789 3.740 ( 1.541 0.077 12.226) 12.323 3.813 ( -0.894 -2.464 3.217) 4.150 4.237 ( -6.046 -0.259 -1.905) 6.344 4.408 ( 1.871 6.640 -4.011) 7.980 4.947 ( -4.039 -0.223 0.458) 4.071 5.047 ( 2.174 -3.187 -10.258) 10.960 5.239 ( 1.349 -0.595 6.604) 6.767 5.472 ( -7.054 1.480 1.438) 7.349 5.798 ( 11.322 6.141 7.013) 14.665 6.087 ( 10.169 -3.729 1.007) 10.878 6.415 ( -4.151 0.554 1.456) 4.433 6.647 ( 6.303 -0.101 -8.903) 10.908 6.725 ( 5.106 -0.090 -2.019) 5.492 7.014 ( -8.159 -3.391 -4.496) 9.914 7.321 ( 3.048 9.889 -4.367) 11.232 7.369 ( -4.665 -6.177 3.810) 8.628 7.875 ( -3.669 -3.543 3.324) 6.088 8.213 ( 0.557 -3.343 7.788) 8.493 8.290 ( 8.051 -1.165 2.698) 8.571 9.162 ( -3.636 2.099 2.687) 4.984 9.319 ( -5.496 -3.030 -8.432) 10.511 9.421 ( 6.902 0.909 -3.776) 7.920 9.726 ( 2.905 -0.672 9.237) 9.707 9.798 ( 7.058 2.122 -1.054) 7.445 10.007 ( 1.704 -4.693 0.000) 4.993 10.244 ( 7.405 10.345 -3.436) 13.178 10.381 ( -4.803 -0.115 -1.163) 4.943 10.616 ( 0.762 4.870 -4.612) 6.750 10.734 ( 10.416 -5.396 -1.428) 11.818 11.153 ( -3.166 3.860 -2.051) 5.397 11.267 ( 2.573 -0.875 -2.063) 3.412 11.449 ( -1.510 1.550 9.134) 9.386 11.534 ( -2.907 -6.203 -0.083) 6.851 11.910 ( 1.233 -8.258 -0.605) 8.372 12.437 ( -12.798 4.841 -8.735) 16.234 12.906 ( 9.414 -1.233 0.108) 9.495 13.172 ( -16.548 1.461 -2.007) 16.733 13.751 ( 15.355 -0.577 -0.282) 15.369 14.245 ( 4.338 1.698 5.393) 7.126 14.548 ( 6.137 -0.376 6.265) 8.779 14.679 ( 3.412 -2.189 -9.249) 10.098 15.428 ( -8.864 -3.433 3.708) 10.203 15.696 ( 2.740 -2.962 -6.122) 7.332 16.471 ( 6.561 8.405 3.206) 11.134 17.032 ( -7.108 3.509 3.379) 8.617 17.711 ( -15.612 -13.054 -5.241) 21.014 17.988 ( 2.611 10.510 8.581) 13.817 18.132 ( 1.452 1.846 -11.899) 12.128 19.643 ( 2.307 -0.429 10.968) 11.216 21.601 ( 1.117 -0.200 -0.463) 1.226 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -22.239 0.080 -2.725) 22.405 1.626 ( -29.173 4.367 -3.214) 29.673 2.629 ( -24.463 -4.288 0.659) 24.844 3.112 ( -3.033 0.264 2.930) 4.225 3.354 ( -2.062 1.972 -4.199) 5.077 3.546 ( 2.365 0.225 -1.218) 2.670 3.625 ( 8.307 -1.546 0.335) 8.456 3.896 ( 4.041 2.124 4.776) 6.607 3.966 ( 13.183 -4.130 10.903) 17.599 4.131 ( -8.223 -0.537 -1.562) 8.388 4.508 ( 5.582 7.283 2.851) 9.609 4.870 ( 1.115 -9.203 -6.927) 11.572 4.916 ( -3.172 4.980 -3.753) 6.996 5.268 ( 0.758 -0.710 -3.780) 3.920 5.391 ( -8.845 -1.261 3.101) 9.457 5.976 ( 4.594 -1.294 -3.275) 5.788 6.219 ( 9.695 1.827 1.521) 9.983 6.452 ( 1.461 3.223 4.467) 5.699 6.640 ( 6.909 -2.327 -2.755) 7.794 6.714 ( 4.847 -6.358 -1.966) 8.233 6.875 ( -8.633 5.231 -1.311) 10.179 7.280 ( -4.038 6.280 -2.862) 7.996 7.451 ( 5.864 0.725 2.484) 6.410 7.823 ( -6.027 -1.703 1.680) 6.484 8.218 ( 6.648 -17.233 1.205) 18.510 8.489 ( 1.664 14.144 4.488) 14.932 9.053 ( -13.351 -0.893 -4.020) 13.971 9.195 ( 2.874 -2.089 -1.130) 3.728 9.511 ( 5.913 5.818 -2.198) 8.582 9.794 ( -0.009 -4.936 7.256) 8.776 9.930 ( 11.561 2.953 -7.610) 14.153 10.046 ( 7.543 -5.123 6.791) 11.370 10.219 ( -2.131 -1.240 -8.488) 8.839 10.379 ( 2.614 2.710 -1.372) 4.007 10.608 ( 2.439 2.384 -3.846) 5.140 10.864 ( 11.140 -0.614 1.614) 11.273 11.087 ( -2.531 3.173 -2.306) 4.668 11.241 ( -0.419 -2.237 -1.648) 2.810 11.463 ( -0.948 -2.419 -1.242) 2.880 11.635 ( -1.804 5.555 15.165) 16.251 11.874 ( -2.409 -9.072 3.820) 10.134 12.203 ( -11.791 9.002 -8.421) 17.058 12.835 ( -19.820 -6.678 -6.158) 21.803 13.036 ( 8.885 0.098 1.645) 9.036 14.048 ( 22.189 1.840 3.497) 22.538 14.430 ( 5.929 9.848 5.905) 12.923 14.524 ( 6.717 -4.413 -11.995) 14.438 14.694 ( -3.117 -6.257 6.218) 9.356 15.367 ( -8.272 2.811 5.662) 10.411 15.670 ( 4.989 -2.445 -0.898) 5.628 16.598 ( 3.783 6.253 -4.143) 8.401 16.974 ( -11.249 2.653 2.966) 11.932 17.350 ( -13.409 -11.583 -6.633) 18.920 18.029 ( 3.035 -1.013 -6.899) 7.605 18.163 ( -0.318 4.914 6.348) 8.034 19.799 ( 3.539 -0.029 5.509) 6.547 21.611 ( 1.147 0.002 -0.041) 1.148 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -19.789 16.100 18.608) 31.576 1.352 ( -27.485 10.055 10.944) 31.246 2.231 ( -41.184 -1.565 13.990) 43.523 3.216 ( 3.028 -4.160 1.939) 5.498 3.286 ( 8.758 3.781 -6.275) 11.418 3.516 ( 1.943 -3.180 -3.185) 4.902 3.677 ( 8.025 1.917 -10.818) 13.606 3.956 ( 1.989 -0.728 -3.060) 3.721 3.983 ( -9.028 -2.347 -1.143) 9.398 4.271 ( 16.624 -6.458 8.576) 19.789 4.577 ( 1.146 -2.742 -5.377) 6.144 4.795 ( 1.059 -0.137 2.046) 2.308 4.934 ( -1.921 7.209 2.641) 7.914 5.193 ( 0.849 3.517 -6.623) 7.547 5.311 ( -6.535 -4.005 0.969) 7.725 5.919 ( 1.578 1.101 -8.314) 8.533 6.230 ( 1.023 -4.187 -6.403) 7.719 6.589 ( 4.941 1.137 3.659) 6.252 6.694 ( 7.284 -3.070 -0.535) 7.923 6.773 ( -2.545 6.101 2.040) 6.918 6.831 ( -5.383 -1.801 9.687) 11.228 7.288 ( 6.691 6.624 -4.027) 10.240 7.578 ( 5.473 3.071 5.198) 8.149 7.757 ( -5.104 -1.916 1.395) 5.628 8.191 ( 7.959 -13.114 -2.068) 15.479 8.565 ( -4.446 5.966 -3.714) 8.316 8.865 ( -12.891 2.201 3.128) 13.446 9.247 ( 7.355 0.620 -0.022) 7.381 9.527 ( -0.742 2.609 -3.533) 4.454 9.848 ( -0.003 -0.825 -0.882) 1.208 10.054 ( 1.479 -6.708 -4.241) 8.073 10.083 ( 16.439 0.844 0.974) 16.490 10.195 ( 1.317 5.494 1.731) 5.909 10.367 ( 6.749 -3.391 -4.902) 9.004 10.570 ( 1.752 -5.043 -4.342) 6.882 10.984 ( 3.900 2.699 -0.856) 4.819 11.167 ( 5.325 0.036 7.719) 9.377 11.215 ( -0.805 2.555 1.405) 3.025 11.446 ( 2.629 -0.015 -1.487) 3.020 11.691 ( -12.826 2.743 -3.421) 13.555 11.914 ( -1.902 -7.817 19.959) 21.519 12.109 ( -4.908 14.335 -1.444) 15.221 12.466 ( -18.503 -6.907 -3.561) 20.068 13.153 ( 6.434 -0.196 0.626) 6.467 14.356 ( 17.478 -9.053 -0.833) 19.701 14.437 ( 14.041 3.706 -10.387) 17.854 14.545 ( -9.449 -6.533 -2.450) 11.746 14.730 ( 6.530 11.508 8.641) 15.804 15.394 ( -7.506 -4.051 11.269) 14.133 15.788 ( 6.475 11.765 1.767) 13.545 16.508 ( -5.143 -8.539 -6.554) 11.930 16.881 ( -8.049 -1.889 0.078) 8.268 17.076 ( -9.860 6.457 -6.537) 13.478 18.015 ( 4.958 -1.977 -1.263) 5.485 18.233 ( -2.214 -2.429 6.274) 7.083 19.807 ( -0.907 -1.287 -9.321) 9.453 21.626 ( 0.837 -0.006 0.197) 0.859 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -12.865 5.320 22.876) 26.779 2.184 ( -8.313 14.870 21.743) 27.622 2.784 ( 6.420 -5.494 -12.727) 15.276 3.016 ( 12.525 -11.413 -12.074) 20.806 3.166 ( -3.958 -7.155 -11.979) 14.504 3.304 ( 3.560 -1.337 15.785) 16.237 3.570 ( 4.816 7.433 0.249) 8.861 3.818 ( -8.838 6.243 17.448) 20.531 3.934 ( 0.244 -1.840 5.168) 5.492 4.290 ( -6.214 0.235 -4.797) 7.853 4.484 ( 9.771 1.451 -8.289) 12.895 4.661 ( -1.982 -3.840 -1.596) 4.607 4.926 ( 5.199 1.057 5.363) 7.544 5.225 ( -1.575 -0.891 -3.373) 3.828 5.412 ( 5.795 -2.797 0.709) 6.474 5.577 ( 1.866 6.891 -8.001) 10.723 6.074 ( -5.841 4.506 1.312) 7.493 6.397 ( -10.445 -3.800 -4.736) 12.082 6.796 ( 10.429 0.044 -5.510) 11.795 6.891 ( 2.061 -4.868 5.313) 7.495 7.132 ( -6.039 4.465 3.078) 8.117 7.359 ( 3.368 4.111 -4.738) 7.120 7.574 ( -7.197 -10.162 0.879) 12.483 7.789 ( 0.491 -9.875 5.542) 11.335 8.028 ( 9.557 1.249 -5.340) 11.019 8.439 ( -0.963 -3.765 5.027) 6.354 9.013 ( 1.519 2.252 2.479) 3.677 9.300 ( -4.161 0.461 -1.460) 4.433 9.489 ( 2.782 0.338 -5.154) 5.867 9.660 ( -5.063 -1.673 1.708) 5.599 9.717 ( -5.862 3.220 1.005) 6.764 10.058 ( 4.918 0.874 -5.553) 7.469 10.160 ( -1.752 -1.849 -9.636) 9.967 10.438 ( 9.655 3.630 -5.262) 11.579 10.743 ( -0.897 -0.316 3.415) 3.545 10.863 ( 4.199 -4.656 -1.927) 6.560 11.033 ( -3.991 -5.754 3.579) 7.864 11.312 ( -1.685 2.197 -4.690) 5.446 11.513 ( 0.783 -2.953 -2.545) 3.976 11.726 ( -2.328 3.261 0.948) 4.117 12.048 ( 3.761 -11.153 12.281) 17.011 12.488 ( -2.551 5.863 3.922) 7.501 12.822 ( 5.533 11.191 6.316) 13.991 13.125 ( -3.428 1.238 -2.636) 4.498 13.870 ( 5.678 -11.999 -8.275) 15.642 13.970 ( -8.642 -2.550 -6.476) 11.097 14.835 ( 16.335 11.732 1.396) 20.160 14.975 ( -1.856 -7.958 -0.905) 8.222 15.364 ( -18.033 -10.466 3.331) 21.114 15.928 ( -9.405 -4.366 1.008) 10.418 16.237 ( 8.084 9.757 -10.043) 16.169 16.847 ( -1.479 9.006 7.992) 12.131 17.128 ( -2.957 7.658 -1.106) 8.283 18.090 ( 6.276 -7.071 2.589) 9.803 18.617 ( 11.225 4.513 -0.588) 12.113 19.215 ( -11.777 2.534 2.781) 12.363 21.626 ( -0.158 -0.490 -0.472) 0.698 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -8.723 6.070 25.278) 27.421 2.475 ( 0.106 6.591 14.437) 15.871 2.701 ( 7.469 -6.892 -7.394) 12.569 2.752 ( 0.417 -11.525 -20.520) 23.539 3.035 ( 1.066 -3.426 0.598) 3.637 3.419 ( 5.334 -8.309 0.934) 9.918 3.671 ( -1.508 7.845 4.904) 9.373 3.967 ( -1.044 -3.010 0.864) 3.301 4.042 ( -3.644 7.968 5.676) 10.439 4.213 ( -3.201 5.214 3.517) 7.057 4.494 ( 5.341 6.423 -7.975) 11.550 4.676 ( 3.607 -3.707 8.626) 10.058 5.062 ( 3.534 -0.348 4.940) 6.084 5.211 ( 4.161 -3.745 1.665) 5.840 5.395 ( 1.973 -5.619 -3.653) 6.986 5.547 ( -2.322 8.531 -4.394) 9.873 6.124 ( -1.311 4.203 -1.529) 4.661 6.148 ( -8.908 -0.707 -1.105) 9.004 6.819 ( 2.145 1.172 -5.492) 6.011 6.877 ( 0.868 -5.078 -3.903) 6.463 7.164 ( -1.327 2.797 4.430) 5.405 7.305 ( -5.584 -2.329 -1.320) 6.193 7.465 ( 3.336 -4.334 -2.422) 5.982 7.822 ( 0.465 -11.817 9.327) 15.062 8.072 ( 7.845 1.128 -6.124) 10.016 8.447 ( -4.842 -7.662 5.609) 10.659 9.070 ( -0.583 0.672 3.825) 3.927 9.232 ( -1.610 -0.412 -1.426) 2.189 9.500 ( 4.239 3.055 -1.111) 5.342 9.601 ( -5.005 -2.401 -0.044) 5.551 9.702 ( -3.080 3.948 -0.568) 5.040 9.992 ( -2.806 2.649 -6.639) 7.679 10.061 ( 2.711 3.804 -4.003) 6.152 10.472 ( 9.467 -3.439 -8.982) 13.496 10.674 ( -5.388 1.659 -3.624) 6.702 10.878 ( 4.909 -6.988 2.993) 9.049 11.037 ( -5.903 -1.103 3.104) 6.760 11.300 ( 5.550 -1.636 0.345) 5.796 11.449 ( -0.721 2.198 -4.436) 5.003 11.662 ( -7.994 0.093 -1.917) 8.221 12.128 ( 0.755 -13.790 6.282) 15.172 12.591 ( 5.238 6.229 2.116) 8.409 12.958 ( -0.817 -4.745 -3.979) 6.246 13.086 ( -2.743 7.950 6.440) 10.593 13.689 ( 1.506 3.868 -13.686) 14.302 13.919 ( 3.722 -7.559 3.634) 9.176 14.825 ( -5.370 -8.470 -2.781) 10.407 14.991 ( -7.332 1.920 -8.102) 11.094 15.244 ( 4.290 -0.993 10.602) 11.480 15.811 ( -4.508 4.477 -4.613) 7.852 16.244 ( 1.802 -2.368 -1.343) 3.264 16.993 ( -4.962 13.877 3.381) 15.121 17.233 ( 6.433 6.682 8.319) 12.459 18.138 ( 6.279 -6.914 -0.014) 9.340 18.623 ( 3.428 -0.573 -13.793) 14.224 19.281 ( -6.341 7.663 15.494) 18.411 21.609 ( -0.270 -0.719 -0.905) 1.187 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 1.515 -21.469 -20.113) 29.458 2.534 ( -3.242 6.017 17.792) 19.060 2.661 ( -3.398 3.358 0.498) 4.803 2.752 ( 4.663 1.367 4.452) 6.590 3.103 ( -3.141 3.956 11.298) 12.376 3.437 ( 7.699 -9.442 1.013) 12.225 3.761 ( -0.485 1.531 1.924) 2.506 3.850 ( -3.758 2.395 -6.571) 7.939 3.992 ( -9.682 5.215 -1.893) 11.159 4.331 ( 2.109 3.593 5.248) 6.701 4.516 ( 2.410 3.728 -5.566) 7.119 4.826 ( 6.323 -0.506 3.757) 7.372 5.099 ( 0.787 -1.375 -3.234) 3.601 5.255 ( 2.291 -10.000 3.596) 10.872 5.431 ( 1.296 -2.550 11.782) 12.124 5.532 ( 0.020 8.952 -3.523) 9.621 5.916 ( -8.714 2.894 -5.090) 10.499 6.270 ( 8.667 -0.594 1.014) 8.747 6.744 ( -5.774 2.485 -3.732) 7.311 6.777 ( -2.641 2.106 -3.716) 5.022 7.226 ( -1.697 1.504 3.257) 3.969 7.232 ( 0.419 -2.205 -1.517) 2.709 7.476 ( 6.698 -4.019 -2.710) 8.268 7.858 ( -1.041 -11.694 9.155) 14.888 8.075 ( 4.528 -1.616 -4.478) 6.570 8.356 ( -8.879 -5.638 3.405) 11.055 9.134 ( 0.305 -0.618 5.304) 5.348 9.237 ( 3.901 -0.108 0.313) 3.915 9.449 ( -1.145 -2.911 -5.497) 6.325 9.636 ( 1.432 -0.192 4.401) 4.632 9.659 ( -1.671 6.253 -4.416) 7.835 9.993 ( 1.907 7.105 0.039) 7.357 10.057 ( -0.276 3.999 -3.383) 5.245 10.425 ( 9.064 -6.682 -8.063) 13.849 10.570 ( -4.429 0.541 -3.652) 5.766 10.903 ( -6.509 0.732 -0.875) 6.608 11.012 ( 2.073 -2.931 6.926) 7.801 11.323 ( 1.523 -4.350 -3.236) 5.631 11.442 ( -1.366 6.406 -1.795) 6.792 11.563 ( -0.641 -0.911 0.784) 1.363 12.038 ( -1.988 -12.355 -3.014) 12.872 12.717 ( 4.002 1.089 -0.456) 4.172 12.807 ( -2.227 -2.860 -4.554) 5.820 13.176 ( -5.509 2.456 7.559) 9.670 13.656 ( 10.934 7.202 -11.249) 17.261 14.002 ( 3.486 -3.091 6.935) 8.355 14.619 ( -12.643 -5.626 -1.189) 13.889 14.783 ( -3.198 -8.223 -5.447) 10.368 15.444 ( 5.416 9.418 -0.187) 10.866 15.771 ( -0.303 4.557 -2.218) 5.077 16.234 ( -0.246 -6.336 4.610) 7.839 17.057 ( -3.422 7.640 3.848) 9.213 17.539 ( 8.864 13.051 9.280) 18.303 18.138 ( 4.139 -6.505 -2.813) 8.207 18.403 ( -5.504 -4.161 -12.657) 14.416 19.471 ( -2.551 5.958 11.967) 13.610 21.588 ( 0.039 -0.699 -0.991) 1.214 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -2.976 -12.725 -14.835) 19.771 2.515 ( -13.489 3.046 -3.334) 14.224 2.700 ( 1.505 -2.250 0.572) 2.767 2.975 ( 2.232 6.894 17.225) 18.687 3.266 ( 1.405 2.489 9.374) 9.800 3.505 ( 7.085 -9.767 3.120) 12.463 3.653 ( -0.241 -0.941 -10.312) 10.358 3.799 ( -6.822 4.429 0.507) 8.149 3.969 ( -4.482 2.799 6.887) 8.681 4.393 ( -1.379 2.960 -3.163) 4.546 4.442 ( -6.054 4.304 -0.944) 7.487 4.878 ( 9.197 -6.087 -9.052) 14.268 5.071 ( -3.801 1.565 1.889) 4.524 5.218 ( 0.758 -7.351 0.676) 7.421 5.558 ( 3.825 -3.002 5.581) 7.402 5.605 ( 0.163 7.422 1.197) 7.519 5.871 ( 1.893 3.105 1.558) 3.956 6.332 ( 10.472 -5.990 -5.526) 13.269 6.626 ( -9.287 -2.272 1.720) 9.715 6.793 ( -2.487 14.568 -0.859) 14.804 7.179 ( -2.966 -2.707 -3.159) 5.110 7.239 ( -0.140 3.707 -1.159) 3.886 7.471 ( 1.490 -6.757 0.026) 6.919 7.890 ( 0.160 -8.359 7.692) 11.361 8.070 ( 6.166 -4.387 -2.556) 7.987 8.296 ( -5.053 1.758 4.457) 6.963 9.180 ( 0.265 -1.756 2.604) 3.151 9.283 ( 3.521 1.543 -3.293) 5.062 9.419 ( 1.153 -2.399 -0.150) 2.666 9.579 ( 1.378 2.085 -2.551) 3.571 9.735 ( 1.118 1.655 2.593) 3.273 10.018 ( -0.102 -5.838 1.373) 5.998 10.079 ( 4.083 10.093 -6.146) 12.502 10.396 ( 7.071 -3.398 -7.574) 10.905 10.513 ( -1.008 -0.587 3.499) 3.688 10.791 ( -10.848 5.946 -1.156) 12.425 11.141 ( 5.954 -2.565 4.330) 7.796 11.245 ( -1.200 1.818 -5.801) 6.197 11.460 ( 0.150 -3.706 6.707) 7.664 11.600 ( -0.649 2.756 0.896) 2.969 11.868 ( 0.169 -8.591 -6.615) 10.843 12.668 ( 0.120 -1.328 -4.155) 4.363 12.760 ( -3.558 0.880 -1.480) 3.953 13.281 ( 4.637 3.128 7.545) 9.392 13.622 ( -0.216 -1.265 -11.163) 11.237 14.129 ( 3.738 1.462 5.584) 6.877 14.509 ( -4.370 -1.727 6.640) 8.135 14.633 ( 0.649 -4.593 -6.871) 8.291 15.510 ( 1.994 -0.273 -0.072) 2.014 15.743 ( -4.717 4.823 -4.304) 8.002 16.306 ( 4.833 -0.486 5.216) 7.128 17.123 ( -1.610 4.247 3.704) 5.861 17.841 ( 5.844 10.147 4.842) 12.672 18.065 ( -2.799 -11.665 -0.284) 11.999 18.126 ( -5.558 1.527 -11.895) 13.218 19.616 ( -0.435 2.485 8.215) 8.594 21.577 ( 0.605 -0.398 -0.651) 0.974 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -10.771 1.503 -2.926) 11.262 2.278 ( -21.375 4.803 -2.162) 22.014 2.693 ( 2.047 -2.900 0.339) 3.566 3.213 ( 0.744 1.048 2.051) 2.420 3.365 ( 8.565 -4.040 -3.897) 10.241 3.525 ( -0.320 -0.062 -3.891) 3.905 3.574 ( 2.473 -2.136 8.699) 9.292 3.782 ( -5.985 2.312 2.273) 6.807 4.009 ( -6.226 -2.707 8.060) 10.539 4.316 ( -5.813 0.790 1.138) 5.976 4.452 ( -3.027 8.885 2.571) 9.732 4.772 ( 6.163 -8.328 -11.509) 15.486 5.003 ( -4.858 0.286 -1.846) 5.205 5.220 ( 2.926 -0.058 -3.083) 4.251 5.577 ( -4.825 -3.267 1.717) 6.074 5.726 ( 10.332 3.782 -1.810) 11.150 5.987 ( 7.741 1.359 3.658) 8.669 6.348 ( 11.042 -4.734 -5.369) 13.159 6.542 ( -7.637 -0.561 4.290) 8.778 6.800 ( -6.966 3.210 -0.685) 7.700 7.080 ( -6.830 6.836 -1.378) 9.761 7.291 ( 5.506 8.082 -1.819) 9.947 7.424 ( -2.755 -5.875 0.856) 6.545 7.914 ( -1.153 -9.558 5.801) 11.240 8.059 ( 5.291 -8.073 -4.267) 10.553 8.407 ( 3.156 10.883 5.563) 12.623 9.177 ( -1.259 -2.863 -2.115) 3.775 9.312 ( 5.594 4.100 -1.671) 7.134 9.318 ( -5.320 1.361 -3.954) 6.767 9.700 ( 7.904 3.491 0.152) 8.642 9.781 ( 3.512 -6.451 5.260) 9.034 9.961 ( -3.541 -8.487 1.402) 9.303 10.122 ( 6.775 4.702 -5.147) 9.721 10.348 ( 3.123 -1.551 -5.610) 6.606 10.617 ( 5.166 0.807 4.719) 7.043 10.693 ( -8.446 7.495 -2.361) 11.537 11.177 ( -2.820 4.060 -3.196) 5.886 11.200 ( 3.309 -3.311 -0.677) 4.730 11.509 ( -1.275 -10.542 3.410) 11.153 11.661 ( -0.154 6.310 9.874) 11.719 11.804 ( 4.833 -0.811 -2.066) 5.318 12.535 ( -11.828 2.804 -4.863) 13.093 12.789 ( 7.476 1.651 0.586) 7.679 13.319 ( -15.862 -7.112 -4.539) 17.966 13.549 ( 16.379 1.764 2.028) 16.599 14.241 ( 5.853 3.321 -3.393) 7.536 14.495 ( -1.390 0.265 -0.195) 1.428 14.692 ( 3.531 -1.042 11.301) 11.886 15.523 ( 2.244 -10.239 4.333) 11.343 15.625 ( -8.136 8.809 -6.460) 13.621 16.434 ( 7.527 4.177 -2.000) 8.838 17.165 ( -2.739 2.887 2.464) 4.681 17.683 ( -11.994 -13.932 -7.490) 19.851 17.992 ( -0.206 -1.716 -5.452) 5.719 18.153 ( 1.419 9.652 6.702) 11.836 19.721 ( 2.370 -0.110 3.975) 4.629 21.581 ( 1.068 0.004 -0.061) 1.069 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -16.999 15.811 12.537) 26.385 2.028 ( -24.703 7.239 3.686) 26.004 2.726 ( 0.477 -5.512 4.167) 6.927 3.066 ( 2.705 -2.618 -13.270) 13.794 3.409 ( 7.795 0.501 -11.449) 13.860 3.475 ( 2.366 -5.891 1.607) 6.549 3.592 ( -19.340 1.585 4.177) 19.849 3.875 ( 9.552 0.698 8.875) 13.057 3.981 ( -3.943 -3.408 0.174) 5.214 4.253 ( -7.265 -1.844 1.196) 7.590 4.555 ( -0.581 1.335 2.292) 2.715 4.679 ( 6.852 -1.590 -1.040) 7.111 4.966 ( -1.605 4.615 -0.671) 4.932 5.169 ( 0.834 -0.150 -7.451) 7.499 5.472 ( -5.813 -3.488 -2.917) 7.380 5.768 ( 8.546 -3.817 -8.574) 12.693 6.180 ( 6.650 5.282 4.286) 9.513 6.396 ( 10.502 -3.088 -3.902) 11.621 6.545 ( -2.205 -0.992 4.588) 5.186 6.761 ( -1.408 -0.036 6.462) 6.614 7.041 ( -8.706 11.777 -0.795) 14.668 7.339 ( -4.562 -5.015 0.072) 6.780 7.442 ( 6.260 12.960 0.234) 14.395 7.880 ( -3.220 -7.187 2.849) 8.375 7.987 ( 5.561 -12.488 -4.446) 14.374 8.578 ( 3.089 10.519 -1.563) 11.074 9.099 ( -2.713 1.516 -1.148) 3.313 9.212 ( -5.563 -2.741 -0.835) 6.257 9.463 ( 7.640 8.107 2.017) 11.321 9.715 ( 4.922 1.356 -8.458) 9.879 9.883 ( -1.193 -7.172 7.031) 10.114 9.928 ( 8.115 -7.640 3.694) 11.742 10.167 ( 3.883 2.135 -1.212) 4.593 10.272 ( 0.779 -4.257 -8.073) 9.160 10.616 ( -6.148 7.906 -2.316) 10.280 10.779 ( 9.014 -1.201 5.593) 10.676 11.152 ( -2.930 3.452 -0.255) 4.535 11.201 ( 2.739 1.013 -1.487) 3.277 11.439 ( -1.621 -7.788 1.405) 8.078 11.853 ( 3.803 -3.293 1.777) 5.335 11.893 ( 0.056 9.473 11.071) 14.570 12.344 ( -12.603 5.228 -2.168) 13.816 12.882 ( -3.833 -0.309 -3.316) 5.078 13.021 ( -6.518 -6.125 2.148) 9.198 13.833 ( 19.645 0.491 2.928) 19.868 14.190 ( 6.390 -0.224 -13.927) 15.324 14.606 ( 2.158 10.284 7.675) 13.013 14.810 ( -6.158 -11.065 10.448) 16.417 15.547 ( 8.071 -2.720 -0.763) 8.551 15.576 ( -5.611 9.699 3.442) 11.722 16.468 ( 5.571 -0.423 -7.938) 9.707 17.150 ( -7.727 2.818 0.751) 8.259 17.335 ( -10.575 -10.814 -6.815) 16.590 17.931 ( 0.262 -1.592 -1.188) 2.004 18.287 ( -1.600 3.150 6.134) 7.079 19.760 ( 3.516 -2.073 -3.684) 5.498 21.599 ( 1.140 0.227 0.405) 1.231 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -18.165 19.751 20.203) 33.589 1.898 ( -21.548 8.800 12.240) 26.298 2.687 ( -7.234 -3.957 7.930) 11.440 3.055 ( 13.245 1.701 -7.227) 15.184 3.287 ( 4.632 -7.991 -11.830) 15.008 3.391 ( -15.792 3.601 0.937) 16.224 3.485 ( 2.993 -2.835 -3.787) 5.598 3.874 ( -2.104 -7.533 -2.892) 8.339 4.033 ( -2.265 2.481 -1.095) 3.534 4.234 ( 4.347 -3.295 8.590) 10.176 4.512 ( -2.158 -2.320 -0.190) 3.174 4.806 ( 2.741 -0.124 -0.945) 2.902 4.960 ( -0.062 2.888 -4.784) 5.589 5.103 ( 5.474 1.731 -3.892) 6.936 5.355 ( -3.901 0.193 -0.738) 3.975 5.700 ( 5.092 -3.185 -9.753) 11.453 6.255 ( -6.096 2.861 1.604) 6.922 6.465 ( 12.096 -4.580 -3.452) 13.386 6.611 ( 5.237 -2.085 5.678) 8.001 6.859 ( -1.935 6.819 -0.907) 7.146 7.066 ( -4.192 8.416 8.413) 12.617 7.259 ( -3.082 -0.801 0.287) 3.197 7.612 ( 3.815 7.294 2.649) 8.647 7.820 ( -3.730 -5.403 2.647) 7.078 7.927 ( 9.588 -10.071 -5.225) 14.854 8.570 ( -2.088 4.302 -6.764) 8.284 9.034 ( -7.723 -1.137 -0.469) 7.820 9.210 ( 3.146 3.493 2.850) 5.498 9.537 ( -2.641 5.886 -3.189) 7.197 9.786 ( 10.972 1.032 -1.140) 11.080 9.921 ( 4.067 -3.513 5.059) 7.381 9.970 ( 1.113 -7.002 -1.871) 7.332 10.109 ( 2.267 -2.232 -10.705) 11.168 10.285 ( 6.507 -0.286 8.041) 10.348 10.571 ( -5.449 5.608 -1.305) 7.928 10.934 ( 5.727 -0.270 0.168) 5.735 11.140 ( 1.964 -1.406 -0.645) 2.500 11.284 ( 4.544 4.698 4.769) 8.091 11.407 ( 0.163 -5.270 2.287) 5.747 11.786 ( -8.410 -0.948 -3.631) 9.210 12.048 ( -0.530 3.421 1.935) 3.966 12.330 ( -4.274 5.557 10.779) 12.858 12.636 ( -16.298 -2.403 0.462) 16.480 13.100 ( 4.376 2.273 1.695) 5.214 14.020 ( 11.879 -11.760 -7.037) 18.137 14.194 ( 17.412 8.420 -2.932) 19.562 14.624 ( -15.461 -11.062 -1.085) 19.042 14.841 ( 4.753 9.529 6.405) 12.426 15.608 ( -5.255 -10.592 13.119) 17.661 15.764 ( 12.225 24.187 -3.938) 27.386 16.360 ( 0.484 -12.541 -5.905) 13.870 16.972 ( -11.894 -3.849 -3.717) 13.042 17.174 ( -5.089 6.801 -3.134) 9.054 17.949 ( 2.956 -1.560 2.093) 3.944 18.340 ( -3.124 -1.987 6.944) 7.869 19.654 ( -0.420 -3.515 -12.046) 12.556 21.620 ( 0.803 0.132 0.444) 0.927 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 12.200 1.051 -1.930) 12.396 2.329 ( 13.162 -17.029 -11.513) 24.408 2.620 ( -7.703 -0.841 3.751) 8.609 2.827 ( -7.392 6.903 10.189) 14.356 3.038 ( -5.093 -3.772 -5.496) 8.389 3.386 ( -1.032 -2.732 6.004) 6.676 3.582 ( 10.207 5.692 5.525) 12.927 3.906 ( 6.174 8.641 -5.287) 11.864 4.085 ( -1.598 -5.449 0.901) 5.749 4.270 ( 1.071 1.013 -5.736) 5.922 4.498 ( -6.716 8.501 4.906) 11.892 4.655 ( 1.315 -0.866 6.916) 7.093 4.962 ( 4.430 -0.660 6.218) 7.664 5.049 ( 1.970 -2.397 -5.606) 6.407 5.383 ( -0.689 -3.978 0.299) 4.048 5.576 ( -0.621 3.996 0.839) 4.130 6.239 ( -9.737 5.620 2.403) 11.496 6.376 ( 1.090 -6.211 -2.143) 6.660 6.642 ( 1.084 2.191 -6.024) 6.501 6.898 ( 0.466 -6.761 2.955) 7.394 7.211 ( -0.198 -5.518 -1.464) 5.712 7.305 ( 1.080 7.786 -3.704) 8.689 7.625 ( -9.009 -8.106 1.184) 12.177 7.748 ( 4.804 2.482 0.217) 5.412 7.890 ( 3.516 -0.059 -1.967) 4.029 8.511 ( -0.756 -4.832 7.663) 9.091 9.044 ( 3.542 4.573 3.054) 6.541 9.269 ( -0.986 -3.037 -4.790) 5.757 9.510 ( -2.492 -0.520 5.144) 5.739 9.704 ( -7.667 -5.706 -2.394) 9.853 9.855 ( -5.170 5.532 0.298) 7.578 9.969 ( 2.336 2.099 0.983) 3.291 10.025 ( 4.284 2.215 -5.182) 7.079 10.330 ( -2.174 2.228 -8.230) 8.799 10.702 ( 7.877 -10.587 1.979) 13.343 10.841 ( -5.203 4.473 -0.155) 6.863 11.091 ( -1.829 -2.060 3.473) 4.433 11.300 ( -4.856 0.265 -5.002) 6.977 11.438 ( 1.238 0.713 -4.133) 4.373 11.790 ( 1.920 4.344 2.538) 5.385 12.068 ( 2.036 -8.333 6.871) 10.991 12.509 ( 0.911 -0.213 -5.904) 5.978 12.799 ( 10.894 4.099 -0.019) 11.639 13.133 ( -1.290 -2.247 -3.626) 4.457 13.770 ( -4.050 2.942 3.045) 5.860 14.035 ( -14.740 -6.363 -1.637) 16.138 14.730 ( 17.624 13.205 1.414) 22.068 14.920 ( -3.525 -8.590 -3.449) 9.905 15.559 ( -16.288 -8.033 2.042) 18.276 15.889 ( 0.843 -7.530 -8.343) 11.270 16.202 ( 0.360 11.160 2.563) 11.456 16.987 ( 6.324 5.709 7.529) 11.370 17.185 ( -1.534 2.347 0.010) 2.804 17.989 ( 3.464 -3.392 -1.601) 5.106 18.472 ( 5.575 1.489 -6.525) 8.710 19.445 ( -3.943 4.249 11.211) 12.621 21.620 ( -0.512 -0.333 -0.559) 0.828 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 10.783 -22.480 -18.447) 31.015 2.409 ( 17.490 -4.733 -5.535) 18.945 2.729 ( -9.099 4.977 19.076) 21.713 2.750 ( -1.798 3.934 -3.931) 5.845 3.136 ( -1.316 4.124 15.885) 16.465 3.383 ( -4.062 0.334 0.002) 4.076 3.788 ( 4.206 4.684 4.712) 7.863 3.908 ( -3.112 -6.055 -6.377) 9.328 4.063 ( 7.287 6.656 -4.946) 11.040 4.275 ( 2.809 4.014 1.021) 5.004 4.493 ( -4.359 5.312 -0.077) 6.871 4.728 ( 0.262 -1.551 -1.130) 1.937 5.020 ( 5.626 -5.227 1.076) 7.755 5.110 ( 4.836 -1.123 3.796) 6.250 5.409 ( 0.769 -1.032 8.784) 8.878 5.590 ( -3.708 4.526 0.481) 5.871 6.190 ( -10.163 -2.991 -6.089) 12.220 6.223 ( -4.992 1.063 3.455) 6.164 6.672 ( 8.477 2.457 -5.342) 10.317 6.832 ( -1.760 -0.360 -3.956) 4.345 7.198 ( 4.566 -10.129 3.013) 11.512 7.326 ( -1.037 8.382 -3.070) 8.987 7.433 ( -8.731 -11.121 0.930) 14.169 7.841 ( 3.111 2.289 2.849) 4.800 7.935 ( 4.595 1.346 -1.336) 4.971 8.536 ( -4.441 -8.222 6.434) 11.346 9.132 ( 0.226 -1.686 2.315) 2.873 9.204 ( 0.872 2.666 -1.010) 2.981 9.498 ( -5.473 -3.764 -4.793) 8.191 9.601 ( 1.672 -3.696 6.272) 7.469 9.798 ( -8.009 4.485 -2.498) 9.513 9.975 ( 1.820 11.633 -8.388) 14.456 10.054 ( -1.967 0.606 5.208) 5.600 10.266 ( 3.661 -1.311 -5.024) 6.354 10.724 ( -6.180 -1.259 -2.225) 6.688 10.762 ( 6.977 -5.608 -0.094) 8.952 11.121 ( -2.974 -0.143 2.374) 3.808 11.229 ( 2.470 -4.440 0.096) 5.082 11.430 ( 1.282 7.892 -3.259) 8.635 11.768 ( -9.538 2.598 -2.011) 10.087 12.060 ( 0.609 -13.450 -0.575) 13.476 12.512 ( 9.581 0.341 -2.114) 9.818 12.895 ( -1.687 -4.598 -1.937) 5.267 13.127 ( 10.473 7.185 -1.114) 12.749 13.653 ( -13.061 1.074 -4.003) 13.703 13.976 ( -2.030 -1.742 10.127) 10.475 14.743 ( -2.511 -10.391 -5.474) 12.010 14.938 ( 3.637 12.239 -10.974) 16.836 15.382 ( -7.695 -7.480 9.617) 14.410 15.755 ( 1.872 0.763 -8.995) 9.219 16.290 ( -3.526 0.590 7.069) 7.922 17.176 ( -4.267 4.221 2.082) 6.353 17.279 ( 11.457 9.357 8.331) 16.977 17.992 ( 5.668 -2.006 -3.626) 7.022 18.426 ( 2.644 -2.951 -7.888) 8.827 19.582 ( -4.967 5.258 10.747) 12.954 21.598 ( -0.755 -0.531 -0.824) 1.237 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 4.816 -14.892 -12.460) 20.006 2.529 ( 12.489 -3.503 -1.205) 13.027 2.687 ( 0.162 0.106 -0.504) 0.540 3.012 ( -3.463 9.371 17.922) 20.519 3.306 ( -0.659 -2.010 -3.573) 4.152 3.357 ( -1.874 3.738 12.727) 13.396 3.694 ( -3.806 -2.943 -10.861) 11.879 3.890 ( 2.006 0.140 1.265) 2.375 4.074 ( -2.146 5.434 -4.589) 7.429 4.360 ( 2.866 2.589 1.805) 4.263 4.540 ( -2.190 5.635 5.018) 7.857 4.668 ( 6.567 -5.634 -8.044) 11.815 5.047 ( 4.188 1.020 -1.189) 4.471 5.185 ( 1.998 -8.158 4.055) 9.326 5.565 ( -4.186 4.214 -0.668) 5.977 5.583 ( 0.972 -0.613 11.448) 11.506 5.970 ( -7.359 -0.141 -5.238) 9.033 6.214 ( -1.958 -0.270 -0.080) 1.978 6.686 ( 5.238 0.270 -4.925) 7.195 6.841 ( 0.719 7.208 0.210) 7.246 7.195 ( 0.148 -9.593 1.032) 9.650 7.276 ( -0.498 -5.124 1.732) 5.432 7.379 ( -0.166 3.934 -0.801) 4.018 7.920 ( -0.327 -1.114 5.165) 5.294 7.964 ( 2.465 2.798 -3.717) 5.265 8.445 ( -6.371 -7.534 1.036) 9.921 9.171 ( 3.156 0.029 1.900) 3.684 9.233 ( -2.687 -1.825 3.367) 4.679 9.372 ( 1.043 -2.436 -2.237) 3.468 9.655 ( -4.679 -1.408 -2.103) 5.320 9.714 ( -1.163 5.936 1.295) 6.186 10.009 ( 3.609 11.046 -6.567) 13.347 10.052 ( -3.691 -3.174 1.426) 5.073 10.256 ( 1.580 -1.346 0.936) 2.277 10.609 ( -4.752 1.181 -2.695) 5.589 10.851 ( 9.561 -6.343 1.715) 11.601 11.093 ( -4.940 0.607 2.634) 5.631 11.236 ( 2.316 -4.044 -0.889) 4.744 11.484 ( 0.105 10.739 -3.086) 11.174 11.636 ( -6.890 0.371 1.973) 7.177 11.896 ( -1.110 -11.203 -7.699) 13.639 12.635 ( 6.811 -1.389 0.132) 6.953 12.768 ( -1.910 -2.964 -1.947) 4.029 13.326 ( -0.311 3.435 5.137) 6.187 13.487 ( 1.776 2.851 -5.717) 6.630 14.097 ( -1.189 0.331 9.492) 9.572 14.588 ( 0.196 -6.402 -5.130) 8.206 14.757 ( -9.019 -1.071 -8.935) 12.741 15.455 ( 1.109 6.695 0.487) 6.804 15.734 ( 5.236 -0.684 -1.171) 5.409 16.313 ( -5.055 -3.552 6.551) 9.005 17.177 ( -2.592 1.423 1.867) 3.497 17.624 ( 10.808 13.474 7.953) 19.016 18.001 ( 4.175 -0.442 -3.200) 5.279 18.280 ( -2.961 -8.468 -7.045) 11.407 19.666 ( -3.290 3.256 5.068) 6.863 21.576 ( -0.551 -0.415 -0.607) 0.919 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 -0.000 -0.000) 0.000 2.597 ( -0.000 0.000 -0.000) 0.000 2.694 ( 0.000 -0.000 0.000) 0.000 3.197 ( -0.000 0.000 0.000) 0.000 3.234 ( 0.000 -0.000 -0.000) 0.000 3.486 ( 0.000 -0.000 0.000) 0.000 3.529 ( 0.000 0.000 -0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 -0.000 0.000) 0.000 4.407 ( 0.000 -0.000 0.000) 0.000 4.596 ( 0.000 -0.000 -0.000) 0.000 4.617 ( -0.000 0.000 0.000) 0.000 5.126 ( 0.000 -0.000 0.000) 0.000 5.145 ( 0.000 0.000 -0.000) 0.000 5.538 ( 0.000 -0.000 -0.000) 0.000 5.665 ( 0.000 0.000 -0.000) 0.000 5.899 ( 0.000 -0.000 -0.000) 0.000 6.189 ( 0.000 -0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 -0.000 0.000) 0.000 7.174 ( 0.000 -0.000 0.000) 0.000 7.273 ( 0.000 0.000 -0.000) 0.000 7.390 ( 0.000 -0.000 0.000) 0.000 7.944 ( 0.000 0.000 -0.000) 0.000 7.959 ( -0.000 -0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 -0.000) 0.000 9.246 ( 0.000 -0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 -0.000 0.000) 0.000 9.757 ( 0.000 0.000 -0.000) 0.000 10.010 ( 0.000 0.000 -0.000) 0.000 10.021 ( -0.000 -0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 -0.000 -0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 -0.000 -0.000) 0.000 11.489 ( 0.000 -0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 -0.000 -0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 13.296 ( 0.000 -0.000 -0.000) 0.000 13.549 ( 0.000 0.000 -0.000) 0.000 14.161 ( 0.000 0.000 0.000) 0.000 14.555 ( -0.000 -0.000 -0.000) 0.000 14.585 ( 0.000 -0.000 0.000) 0.000 15.483 ( 0.000 0.000 0.000) 0.000 15.776 ( 0.000 -0.000 -0.000) 0.000 16.307 ( 0.000 0.000 0.000) 0.000 17.179 ( 0.000 0.000 -0.000) 0.000 17.871 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.111 ( 0.000 -0.000 -0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 21.566 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -0.000 31.811) 31.811 1.317 ( 0.000 -0.000 31.811) 31.811 2.448 ( 0.000 -0.000 53.369) 53.369 3.328 ( -0.000 0.000 -20.566) 20.566 3.349 ( 0.000 0.000 -3.922) 3.922 3.349 ( -0.000 0.000 -3.922) 3.922 3.754 ( 0.000 -0.000 4.515) 4.515 3.754 ( 0.000 0.000 4.515) 4.515 3.816 ( -0.000 0.000 -9.876) 9.876 4.548 ( -0.000 0.000 -11.518) 11.518 4.548 ( -0.000 0.000 -11.518) 11.518 4.826 ( 0.000 -0.000 11.270) 11.270 5.077 ( 0.000 -0.000 2.000) 2.000 5.077 ( 0.000 -0.000 2.000) 2.000 5.119 ( 0.000 -0.000 5.357) 5.357 5.743 ( -0.000 0.000 -6.731) 6.731 6.107 ( -0.000 0.000 -7.832) 7.832 6.107 ( -0.000 0.000 -7.832) 7.832 6.974 ( 0.000 -0.000 3.988) 3.988 6.974 ( 0.000 -0.000 3.988) 3.988 7.048 ( 0.000 -0.000 5.370) 5.370 7.553 ( -0.000 0.000 -16.366) 16.366 7.686 ( 0.000 -0.000 3.370) 3.370 7.686 ( 0.000 0.000 3.370) 3.370 8.371 ( -0.000 -0.000 -0.488) 0.488 8.371 ( 0.000 0.000 -0.488) 0.488 8.913 ( 0.000 -0.000 10.945) 10.945 9.454 ( -0.000 0.000 -11.398) 11.398 9.530 ( -0.000 -0.000 -1.061) 1.061 9.530 ( -0.000 0.000 -1.061) 1.061 9.845 ( -0.000 0.000 -10.985) 10.985 9.845 ( -0.000 0.000 -10.985) 10.985 10.606 ( -0.000 0.000 -3.724) 3.724 10.606 ( -0.000 0.000 -3.724) 3.724 10.729 ( -0.000 0.000 -4.156) 4.156 10.978 ( 0.000 -0.000 2.864) 2.864 11.123 ( 0.000 -0.000 -1.365) 1.365 11.123 ( -0.000 0.000 -1.365) 1.365 11.798 ( -0.000 -0.000 0.556) 0.556 11.798 ( 0.000 -0.000 0.556) 0.556 11.870 ( 0.000 -0.000 14.538) 14.538 12.362 ( 0.000 -0.000 14.754) 14.754 12.362 ( 0.000 -0.000 14.754) 14.754 13.180 ( -0.000 0.000 -5.178) 5.178 13.783 ( -0.000 0.000 -11.663) 11.663 14.709 ( -0.000 0.000 -12.096) 12.096 14.709 ( -0.000 0.000 -12.096) 12.096 15.107 ( 0.000 -0.000 6.478) 6.478 15.601 ( 0.000 -0.000 3.490) 3.490 15.724 ( -0.000 -0.000 -2.881) 2.881 15.724 ( -0.000 0.000 -2.881) 2.881 16.834 ( 0.000 -0.000 4.092) 4.092 16.834 ( 0.000 -0.000 4.092) 4.092 18.453 ( 0.000 -0.000 12.681) 12.681 18.453 ( 0.000 -0.000 12.681) 12.681 18.926 ( -0.000 0.000 -14.206) 14.206 21.640 ( -0.000 0.000 -0.360) 0.360 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 7.411 0.933 28.893) 29.843 1.840 ( 7.012 6.058 28.608) 30.071 2.968 ( -3.325 -0.356 -7.740) 8.431 3.127 ( -1.748 -4.624 16.210) 16.947 3.240 ( -1.646 1.488 -0.738) 2.338 3.406 ( 5.148 1.688 -0.721) 5.465 3.590 ( -11.182 -5.062 0.400) 12.281 3.769 ( -0.292 -0.938 6.319) 6.395 3.892 ( 3.355 2.739 -1.652) 4.636 4.313 ( -2.806 -1.760 -7.003) 7.747 4.469 ( 0.567 2.000 -10.665) 10.866 4.903 ( -7.113 -7.558 2.538) 10.684 5.064 ( -8.037 2.414 4.128) 9.353 5.090 ( 5.597 7.416 5.918) 11.016 5.295 ( 9.370 -2.101 2.343) 9.885 5.606 ( -3.540 -4.667 -7.185) 9.270 5.947 ( 0.542 -2.303 -6.450) 6.870 6.190 ( 11.631 11.459 -5.681) 17.288 6.939 ( -1.129 -4.054 -2.840) 5.077 7.015 ( -2.106 4.540 -0.728) 5.057 7.104 ( -4.269 -3.419 3.399) 6.439 7.277 ( -2.964 -8.183 -6.109) 10.633 7.699 ( -1.901 7.451 0.022) 7.690 7.817 ( 5.826 -1.580 2.942) 6.715 8.275 ( -11.421 -1.917 0.964) 11.620 8.434 ( 2.476 -2.798 5.186) 6.392 9.039 ( -0.614 -0.026 6.815) 6.843 9.269 ( -2.646 -1.995 -4.630) 5.693 9.492 ( 0.698 -4.518 -2.562) 5.241 9.590 ( 3.177 7.417 -0.451) 8.081 9.670 ( -0.458 2.942 -9.605) 10.055 9.807 ( 9.235 1.079 -10.287) 13.867 10.467 ( -7.813 -0.462 -2.201) 8.130 10.524 ( -6.908 -7.196 -3.590) 10.601 10.671 ( 2.230 0.631 -5.815) 6.259 10.964 ( -1.732 -3.041 3.388) 4.871 11.102 ( 2.175 5.721 -4.115) 7.375 11.199 ( 5.655 1.333 -2.759) 6.432 11.614 ( -10.732 -8.263 2.198) 13.722 11.776 ( -3.074 0.132 -2.830) 4.180 12.225 ( 8.956 6.365 12.990) 17.014 12.387 ( -8.383 -6.239 12.244) 16.097 12.646 ( 3.165 -0.363 12.805) 13.195 13.101 ( -0.001 -0.948 -5.837) 5.913 13.713 ( 11.127 9.993 -15.598) 21.609 14.339 ( -15.287 -5.251 -7.338) 17.752 14.718 ( 6.744 -3.267 -8.745) 11.517 15.138 ( -5.374 -2.760 3.844) 7.160 15.416 ( -7.883 1.128 3.527) 8.709 15.764 ( 14.448 -4.487 -7.917) 17.074 15.937 ( 10.334 15.158 -5.788) 19.237 16.851 ( -4.048 -0.586 10.385) 11.161 16.981 ( 3.292 0.200 7.810) 8.478 18.428 ( -15.602 -1.539 8.783) 17.970 18.610 ( 1.341 -11.069 -0.193) 11.152 18.934 ( 13.693 12.832 -1.156) 18.802 21.631 ( -0.079 -0.039 -0.795) 0.800 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 10.317 2.302 23.874) 26.109 2.311 ( 6.307 2.384 21.342) 22.382 2.710 ( -7.895 -1.367 -9.868) 12.712 2.984 ( -10.436 -9.727 -8.951) 16.841 3.124 ( -4.965 1.318 -10.138) 11.365 3.507 ( 0.317 0.498 6.774) 6.800 3.530 ( -4.636 -0.098 -0.352) 4.650 3.828 ( 2.756 -7.683 -4.866) 9.503 4.050 ( 4.237 4.811 19.032) 20.083 4.277 ( 4.019 -8.020 -7.895) 11.951 4.369 ( -4.582 13.374 1.964) 14.273 4.819 ( -7.773 0.517 3.889) 8.707 4.986 ( -5.567 -5.265 3.550) 8.445 5.196 ( -3.163 1.136 -4.191) 5.372 5.400 ( 6.866 -2.081 -0.307) 7.181 5.494 ( -3.050 0.032 4.845) 5.725 5.955 ( 11.685 0.007 -2.894) 12.038 6.366 ( 9.066 13.304 -3.221) 16.418 6.750 ( -9.997 -8.109 -5.409) 13.962 6.966 ( 3.023 -5.012 -3.987) 7.082 7.039 ( 2.190 6.715 -7.826) 10.542 7.276 ( 0.064 -5.286 7.376) 9.075 7.727 ( -2.504 9.575 -0.828) 9.932 7.857 ( 3.026 -6.695 -3.644) 8.201 8.074 ( -18.269 -3.279 3.131) 18.823 8.534 ( 2.586 -6.007 9.276) 11.349 9.051 ( -2.775 -1.108 2.136) 3.673 9.293 ( 1.727 3.653 1.470) 4.299 9.426 ( 1.523 0.290 -2.395) 2.853 9.633 ( 5.942 2.779 -5.188) 8.363 9.702 ( 5.051 5.397 1.071) 7.469 9.807 ( 8.048 2.309 -8.122) 11.665 10.283 ( -13.013 -7.984 -2.665) 15.497 10.357 ( -6.202 2.011 -1.822) 6.770 10.653 ( 6.252 0.654 -5.301) 8.223 10.978 ( -4.308 -2.519 5.469) 7.403 11.121 ( 6.836 2.329 -5.787) 9.255 11.176 ( -2.121 -0.420 -3.200) 3.862 11.496 ( -4.070 -1.035 -2.549) 4.913 11.707 ( 0.051 -1.627 -1.179) 2.009 12.338 ( -9.285 -8.198 9.650) 15.702 12.503 ( 1.734 4.794 3.825) 6.373 12.788 ( 1.701 -2.476 7.217) 7.817 13.027 ( 3.334 -1.207 -5.766) 6.769 13.754 ( 9.430 13.299 -13.759) 21.333 14.088 ( -11.572 0.582 1.210) 11.650 14.625 ( 3.974 -12.597 -4.873) 14.079 15.060 ( -4.995 -3.677 -0.803) 6.254 15.469 ( 2.738 12.799 -3.886) 13.653 15.815 ( 16.949 -11.301 -4.539) 20.871 16.029 ( -1.222 13.279 -2.473) 13.562 16.972 ( 0.247 -5.551 11.703) 12.955 17.151 ( 0.239 8.215 10.792) 13.565 18.259 ( -15.314 -0.360 -2.550) 15.529 18.501 ( 0.007 -9.520 -3.665) 10.201 19.232 ( 10.484 6.192 9.024) 15.156 21.618 ( 0.125 0.094 -1.077) 1.089 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -15.528 -11.317 -9.610) 21.483 2.405 ( -15.929 -11.473 -7.971) 21.187 2.752 ( -0.363 6.728 8.369) 10.745 2.838 ( 8.414 2.971 7.455) 11.628 3.064 ( 3.547 3.099 6.788) 8.262 3.406 ( 0.969 2.942 -8.645) 9.183 3.655 ( -1.442 -4.908 10.377) 11.569 3.759 ( -2.807 -8.121 3.753) 9.377 4.110 ( 1.775 -6.223 -8.910) 11.012 4.202 ( -5.119 4.815 0.641) 7.057 4.444 ( 1.866 0.218 -3.753) 4.197 4.819 ( -3.213 4.645 2.416) 6.143 5.026 ( 2.306 -0.291 10.068) 10.333 5.114 ( -6.695 1.682 2.673) 7.403 5.416 ( -1.232 -0.682 0.503) 1.496 5.582 ( 2.637 2.679 5.483) 6.648 6.128 ( 15.691 1.932 0.656) 15.823 6.425 ( -5.867 1.103 -1.785) 6.231 6.568 ( -0.823 1.174 -5.193) 5.388 6.944 ( 3.328 1.513 -5.210) 6.365 7.031 ( 10.125 3.140 -10.249) 14.745 7.332 ( -2.666 -5.374 8.850) 10.692 7.634 ( -6.564 -12.370 -9.251) 16.783 7.764 ( -2.504 9.682 1.065) 10.057 7.971 ( -7.344 0.501 4.452) 8.602 8.638 ( 1.245 -7.944 9.320) 12.309 9.051 ( -1.485 -1.503 2.999) 3.668 9.278 ( -3.061 6.169 -4.222) 8.078 9.550 ( 7.929 1.897 5.899) 10.064 9.681 ( 10.115 1.224 -8.025) 12.970 9.745 ( -1.094 2.830 -3.872) 4.919 9.849 ( 5.195 4.853 -1.495) 7.265 10.107 ( -6.159 -2.996 5.328) 8.677 10.289 ( -4.440 4.318 -1.792) 6.447 10.679 ( 7.084 -0.992 -4.928) 8.686 10.938 ( -9.826 2.252 3.810) 10.777 11.103 ( 6.768 -6.408 -6.089) 11.133 11.185 ( 4.205 3.968 0.210) 5.786 11.394 ( -3.939 1.787 -4.426) 6.189 11.725 ( 3.539 -3.847 1.037) 5.329 12.270 ( -7.177 -10.622 6.673) 14.452 12.436 ( -5.649 2.188 -10.655) 12.257 12.851 ( -7.295 0.420 6.958) 10.090 13.034 ( 7.190 2.081 -6.162) 9.695 13.741 ( 4.634 5.377 -5.464) 8.957 14.145 ( 1.608 10.551 6.386) 12.437 14.529 ( 4.506 -13.757 -2.609) 14.710 14.951 ( -2.131 -2.202 -5.223) 6.055 15.459 ( 1.750 6.223 -13.033) 14.548 15.924 ( 15.873 -7.820 -2.104) 17.819 16.095 ( -4.734 10.887 7.259) 13.915 17.042 ( -1.715 -9.458 7.961) 12.481 17.383 ( -4.420 14.018 13.174) 19.738 18.017 ( -9.285 -1.383 -7.187) 11.823 18.375 ( -2.623 -8.059 -3.022) 8.998 19.503 ( 7.942 1.125 9.685) 12.575 21.609 ( 0.507 0.330 -1.032) 1.197 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -23.511 -11.716 -14.680) 30.092 1.923 ( -20.997 -16.999 -10.677) 29.048 2.678 ( -11.865 0.434 -0.664) 11.891 3.154 ( 6.127 5.670 6.264) 10.437 3.277 ( -2.890 -7.888 3.589) 9.135 3.360 ( 8.090 2.375 2.651) 8.839 3.640 ( -5.075 1.958 8.747) 10.301 3.830 ( 4.164 0.601 5.287) 6.756 4.027 ( 4.694 -8.895 -3.801) 10.752 4.128 ( -6.181 3.114 -1.998) 7.204 4.414 ( 7.166 -3.112 -2.099) 8.090 4.821 ( -1.247 6.153 -4.483) 7.715 5.075 ( -4.186 1.127 -0.773) 4.403 5.212 ( 0.012 3.601 9.448) 10.111 5.374 ( -3.781 -2.282 -0.726) 4.476 5.782 ( 7.591 5.299 10.266) 13.823 6.295 ( -6.906 -5.710 0.865) 9.003 6.371 ( 15.756 4.662 -0.798) 16.450 6.531 ( 1.671 5.004 -4.261) 6.781 6.910 ( -2.846 8.257 -5.792) 10.480 6.966 ( -0.680 -5.989 -8.625) 10.522 7.338 ( 6.029 -9.342 -5.275) 12.307 7.448 ( -2.545 -2.765 1.762) 4.151 7.807 ( -3.543 1.968 2.079) 4.555 8.007 ( -0.140 9.300 5.203) 10.657 8.685 ( -1.332 -10.175 7.489) 12.704 9.044 ( -4.198 -2.641 1.269) 5.120 9.220 ( -1.881 6.658 -5.851) 9.061 9.592 ( 1.999 -8.176 -5.386) 9.992 9.722 ( 2.818 2.425 2.775) 4.639 9.779 ( 10.703 11.014 -6.293) 16.597 9.975 ( 3.923 6.867 4.541) 9.120 10.195 ( 2.520 0.093 4.214) 4.911 10.280 ( -0.656 4.211 5.511) 6.966 10.646 ( -2.119 -4.041 -1.213) 4.721 10.925 ( -0.122 8.666 -2.271) 8.960 11.060 ( 6.064 -7.089 -5.247) 10.703 11.294 ( 5.945 1.833 -0.298) 6.228 11.326 ( -3.590 4.216 0.741) 5.587 11.714 ( 1.177 -8.285 -1.445) 8.492 12.143 ( -15.384 1.039 -4.436) 16.044 12.242 ( 2.620 -11.398 -2.671) 11.996 12.787 ( -18.334 2.573 5.084) 19.199 13.033 ( 6.136 2.807 -5.959) 9.002 13.897 ( 17.176 6.168 -0.096) 18.250 14.342 ( 4.300 4.606 5.215) 8.179 14.502 ( 2.937 -2.595 3.882) 5.516 14.840 ( 0.444 -0.222 -7.982) 7.998 15.283 ( -1.001 -1.032 -15.691) 15.756 15.972 ( 2.853 -1.814 -2.896) 4.451 16.286 ( 5.169 4.067 10.372) 12.281 17.004 ( -6.256 -9.360 4.423) 12.096 17.484 ( -16.883 9.513 5.288) 20.087 17.914 ( 2.994 1.014 1.393) 3.455 18.248 ( -2.013 -7.330 -2.416) 7.976 19.705 ( 6.037 -0.297 6.524) 8.893 21.609 ( 0.844 0.517 -0.684) 1.203 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -25.961 -11.748 -8.011) 29.599 1.381 ( -23.051 -20.695 -5.024) 31.383 2.380 ( -35.508 -16.781 8.958) 40.282 3.144 ( 4.172 2.343 -2.358) 5.334 3.329 ( 2.488 0.231 0.904) 2.657 3.533 ( 5.273 3.923 2.334) 6.975 3.730 ( 4.229 2.112 -0.168) 4.730 3.950 ( 0.262 -2.354 -6.112) 6.555 4.009 ( -1.310 0.522 1.782) 2.272 4.114 ( 9.538 9.843 5.039) 14.603 4.556 ( 10.438 -2.754 6.208) 12.453 4.772 ( -1.141 4.012 -4.449) 6.098 4.975 ( -4.677 -1.683 -5.527) 7.433 5.267 ( -4.725 -3.407 -3.943) 7.034 5.316 ( -2.729 0.373 6.634) 7.183 5.984 ( 0.540 1.545 -0.374) 1.679 6.296 ( 4.799 1.959 9.571) 10.885 6.471 ( 8.705 0.249 -5.909) 10.524 6.645 ( 6.219 5.741 0.084) 8.464 6.741 ( -8.113 -2.341 -5.076) 9.852 6.886 ( -4.509 1.123 2.994) 5.527 7.258 ( 12.687 -4.892 -13.445) 19.122 7.479 ( -0.963 2.933 3.316) 4.531 7.766 ( -4.197 -2.155 0.501) 4.744 8.197 ( 2.830 12.062 5.382) 13.508 8.654 ( -3.127 -12.252 4.210) 13.328 8.896 ( -11.467 -3.372 -2.809) 12.278 9.222 ( 4.042 5.034 -2.800) 7.037 9.540 ( 3.437 -4.701 -1.636) 6.049 9.765 ( 2.477 6.720 -4.035) 8.221 9.963 ( 15.213 7.415 -2.640) 17.129 10.118 ( 1.443 -0.317 7.190) 7.340 10.196 ( -0.410 4.032 -5.417) 6.765 10.472 ( 2.669 1.661 9.058) 9.588 10.613 ( -0.191 -3.372 6.886) 7.670 10.981 ( 4.841 8.034 -3.988) 10.192 11.021 ( 5.836 -3.745 -4.586) 8.314 11.255 ( -2.804 1.568 -2.139) 3.860 11.438 ( 5.398 1.567 -0.037) 5.621 11.602 ( -3.474 -5.778 -2.127) 7.070 11.870 ( -16.032 1.194 -4.633) 16.731 12.216 ( 1.695 -13.174 6.193) 14.656 12.593 ( -19.830 -0.964 3.035) 20.084 13.100 ( 7.132 3.887 -1.430) 8.247 14.191 ( 20.531 10.381 -2.530) 23.145 14.428 ( 6.096 -4.014 2.846) 7.834 14.652 ( -4.004 4.071 4.311) 7.155 14.803 ( 5.622 7.414 1.252) 9.388 15.025 ( 0.080 -3.868 -17.129) 17.561 15.900 ( -5.289 -0.984 -4.091) 6.758 16.510 ( 7.454 -2.023 8.780) 11.693 16.877 ( -9.004 -6.959 0.668) 11.399 17.316 ( -16.111 0.147 -0.757) 16.130 18.039 ( 3.527 2.257 3.147) 5.238 18.190 ( -1.146 -4.104 5.375) 6.860 19.814 ( 3.811 2.216 -1.816) 4.768 21.619 ( 0.921 0.531 -0.259) 1.094 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -18.052 -14.004 11.459) 25.560 1.035 ( -20.189 -15.880 19.544) 32.276 1.918 ( -43.870 -22.434 25.611) 55.532 3.231 ( 6.158 9.195 -5.860) 12.522 3.387 ( 6.159 -2.969 4.530) 8.202 3.563 ( 4.102 0.938 -8.370) 9.368 3.795 ( 2.286 -4.732 -9.219) 10.611 3.813 ( -1.121 7.109 -1.856) 7.432 3.978 ( 0.071 4.077 -5.022) 6.469 4.455 ( 12.129 12.870 5.278) 18.455 4.678 ( 0.266 -2.744 2.106) 3.470 4.747 ( 1.765 0.831 -4.334) 4.753 4.871 ( 0.292 -2.855 2.005) 3.501 5.091 ( -5.625 -2.909 -8.096) 10.278 5.340 ( -5.114 -3.415 5.672) 8.366 5.894 ( -1.390 -2.472 -6.562) 7.149 6.448 ( 5.634 -9.478 -10.958) 15.546 6.491 ( -9.254 4.351 -6.542) 12.140 6.571 ( 4.228 7.061 9.622) 12.661 6.782 ( 1.523 1.724 5.520) 5.980 6.933 ( -2.013 -1.987 8.863) 9.304 7.345 ( 21.114 2.505 -2.223) 21.378 7.549 ( 4.832 4.818 1.839) 7.068 7.700 ( -3.946 0.595 -1.414) 4.234 8.339 ( -0.491 8.635 0.904) 8.696 8.539 ( -5.843 -7.039 -1.927) 9.349 8.723 ( -9.071 -6.947 5.327) 12.607 9.299 ( 7.503 4.708 -2.051) 9.092 9.536 ( 3.891 -3.305 -2.120) 5.528 9.760 ( 0.402 4.835 -6.558) 8.158 10.064 ( -1.963 4.122 -10.032) 11.022 10.183 ( 4.610 -3.587 6.001) 8.375 10.269 ( 13.552 3.144 2.366) 14.112 10.560 ( -1.744 2.053 2.601) 3.745 10.718 ( 5.298 -4.361 2.533) 7.315 10.976 ( 2.760 -0.985 -4.362) 5.255 11.070 ( -0.709 7.463 -3.365) 8.218 11.265 ( 6.283 -3.148 2.479) 7.452 11.411 ( 5.096 2.657 -1.353) 5.904 11.605 ( -7.344 -6.071 4.440) 10.512 11.694 ( -8.155 8.802 5.609) 13.245 12.240 ( -3.372 -8.882 10.167) 13.915 12.371 ( -14.566 -8.674 1.895) 17.058 13.199 ( 5.230 3.101 -0.566) 6.106 14.429 ( -0.279 7.122 -10.181) 12.428 14.481 ( 1.748 7.116 -7.888) 10.767 14.648 ( 12.490 4.578 10.647) 17.039 14.841 ( 15.344 -14.461 -7.602) 22.413 15.082 ( 1.235 13.877 9.015) 16.594 15.733 ( -10.240 1.128 -3.901) 11.015 16.638 ( -4.531 -8.158 8.538) 12.649 16.731 ( -2.217 -0.448 -4.933) 5.427 17.077 ( -10.294 -9.027 -5.374) 14.708 18.091 ( 3.023 0.630 0.066) 3.088 18.291 ( -2.525 -1.919 12.557) 12.951 19.709 ( -5.127 3.082 -19.640) 20.531 21.631 ( 0.693 0.390 0.003) 0.795 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -1.656 -0.393 28.205) 28.257 2.234 ( 0.498 9.821 25.460) 27.293 2.832 ( 0.778 -1.432 -10.624) 10.748 3.131 ( -1.787 -11.895 -2.611) 12.309 3.175 ( 1.755 -10.121 -11.064) 15.097 3.434 ( -0.877 10.714 1.852) 10.909 3.687 ( 4.085 -5.638 -2.549) 7.415 3.791 ( -3.929 1.905 0.803) 4.440 4.012 ( -1.225 6.688 17.944) 19.189 4.199 ( -1.597 -10.504 -0.383) 10.632 4.428 ( 5.028 7.591 -4.626) 10.213 4.874 ( -1.324 -9.473 0.227) 9.568 5.133 ( 6.095 1.442 2.601) 6.781 5.193 ( -0.915 8.082 2.713) 8.574 5.331 ( -3.344 1.696 4.645) 5.969 5.543 ( -0.260 -8.520 0.801) 8.562 5.918 ( -11.963 3.864 -6.127) 13.985 6.050 ( 11.204 10.792 -4.279) 16.134 6.846 ( -0.747 -3.032 -9.299) 9.809 6.957 ( 1.098 2.671 -8.487) 8.965 7.108 ( -1.639 -1.889 -6.747) 7.196 7.312 ( -2.047 -4.126 9.745) 10.779 7.623 ( 3.866 -6.923 -0.340) 7.936 7.872 ( -1.799 8.611 -0.695) 8.824 8.347 ( 6.100 -12.961 7.407) 16.126 8.511 ( -6.568 -3.693 7.434) 10.585 9.088 ( 0.394 -1.864 1.230) 2.268 9.234 ( 0.292 -0.847 1.197) 1.495 9.476 ( 4.832 2.950 -8.924) 10.569 9.497 ( -5.266 3.159 -2.520) 6.638 9.612 ( 0.580 3.070 -0.403) 3.150 9.707 ( -0.120 10.284 -7.070) 12.480 10.353 ( 0.637 -15.335 -2.002) 15.478 10.578 ( -0.922 2.132 -6.272) 6.688 10.593 ( 2.614 3.520 -4.120) 6.016 10.947 ( -0.723 0.845 -4.303) 4.445 11.039 ( -2.533 -4.757 2.368) 5.886 11.200 ( 0.686 8.657 -2.524) 9.044 11.624 ( 1.328 -12.545 -1.754) 12.736 11.697 ( -0.234 -3.801 -3.463) 5.147 12.415 ( 0.024 10.220 10.235) 14.464 12.478 ( -1.117 -17.663 8.881) 19.801 12.873 ( -1.260 9.561 10.667) 14.380 13.007 ( -0.911 -1.333 -7.292) 7.469 13.472 ( 3.047 12.957 -16.286) 21.033 14.255 ( 2.962 -13.887 -3.635) 14.657 14.635 ( -4.858 10.952 -8.634) 14.768 15.149 ( -1.194 -13.155 0.465) 13.218 15.410 ( 7.086 -9.277 -1.280) 11.744 15.583 ( -7.293 9.523 -5.656) 13.261 15.998 ( 2.381 20.382 -0.397) 20.524 16.967 ( -0.964 -8.838 13.340) 16.031 17.147 ( 1.399 5.939 11.284) 12.828 18.411 ( 4.330 -6.975 -10.827) 13.587 18.648 ( -5.732 -5.938 1.201) 8.340 19.005 ( 1.380 12.823 13.823) 18.905 21.616 ( 0.006 -0.133 -1.302) 1.309 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 3.581 -0.015 20.968) 21.272 2.532 ( -5.701 -3.146 5.180) 8.320 2.729 ( -0.723 4.839 3.615) 6.083 2.828 ( -2.040 -19.819 -10.438) 22.492 3.068 ( -1.500 -3.955 1.183) 4.392 3.558 ( -10.064 9.375 -11.658) 18.030 3.591 ( 2.208 7.167 6.765) 10.100 3.731 ( 5.609 -3.839 -0.064) 6.797 4.099 ( -0.314 -10.873 -1.894) 11.041 4.272 ( -0.764 1.982 9.569) 9.801 4.469 ( 0.294 3.231 -4.272) 5.364 4.844 ( -0.116 0.617 1.643) 1.758 5.171 ( -4.171 -1.878 2.217) 5.083 5.197 ( -4.518 7.381 -2.271) 8.947 5.420 ( -0.998 -0.422 10.371) 10.428 5.587 ( 1.960 -5.349 7.576) 9.479 5.771 ( 4.011 2.454 -5.356) 7.127 6.284 ( 12.759 12.348 0.159) 17.756 6.685 ( 2.281 -2.042 -12.296) 12.671 6.805 ( -5.598 -7.090 -5.532) 10.593 6.985 ( -2.304 10.568 -10.053) 14.767 7.393 ( -1.036 -7.993 9.516) 12.471 7.645 ( 4.872 -4.651 -0.743) 6.777 7.864 ( -4.312 5.850 -2.282) 7.617 8.310 ( -15.354 -6.991 3.881) 17.312 8.496 ( 8.095 -17.080 6.682) 20.048 9.107 ( -1.592 1.885 2.774) 3.712 9.332 ( 7.187 0.423 5.311) 8.946 9.369 ( -2.428 4.175 -8.855) 10.087 9.499 ( 2.211 6.934 -4.205) 8.406 9.671 ( 4.497 1.702 0.261) 4.815 9.748 ( 2.471 10.240 -1.452) 10.633 10.235 ( -1.112 -12.076 0.463) 12.136 10.522 ( 1.226 4.087 -5.400) 6.882 10.541 ( -7.354 2.958 -1.578) 8.082 10.855 ( 5.059 -6.014 -9.111) 12.032 11.065 ( 0.529 -0.775 5.281) 5.363 11.198 ( -2.017 5.542 -4.646) 7.508 11.527 ( -5.585 -4.021 -0.570) 6.905 11.641 ( 4.448 -4.085 -1.185) 6.154 12.338 ( -1.601 -17.029 -2.853) 17.340 12.610 ( -2.578 5.195 4.455) 7.313 12.879 ( 0.640 -0.099 -7.671) 7.699 12.989 ( -5.599 5.742 8.828) 11.927 13.535 ( 12.693 13.921 -10.045) 21.350 14.173 ( -0.132 -5.355 0.815) 5.418 14.511 ( -5.295 0.551 -5.014) 7.313 14.983 ( -1.602 -11.991 -6.077) 13.538 15.450 ( 6.277 7.080 -6.020) 11.215 15.574 ( 2.767 2.696 -0.752) 3.936 16.163 ( 0.143 10.956 5.272) 12.159 17.064 ( -1.099 -9.411 12.373) 15.584 17.391 ( 2.375 8.902 13.381) 16.246 18.211 ( -1.214 3.191 -17.900) 18.222 18.529 ( -9.411 -15.403 6.643) 19.234 19.307 ( 5.891 8.886 10.485) 14.954 21.598 ( 0.297 -0.005 -1.488) 1.518 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -13.058 -18.627 -12.593) 26.001 2.382 ( -14.634 -10.482 -6.282) 19.065 2.813 ( 0.694 -3.334 0.652) 3.467 2.937 ( 6.872 2.526 17.641) 19.100 3.179 ( 3.798 5.654 10.749) 12.726 3.368 ( -7.770 10.598 -6.442) 14.635 3.792 ( 0.332 2.608 3.857) 4.667 3.810 ( 6.227 -2.575 10.425) 12.414 3.961 ( -3.400 -11.048 -3.032) 11.950 4.292 ( -4.168 1.079 -1.241) 4.481 4.343 ( -4.031 -1.831 -7.206) 8.458 4.872 ( -2.812 8.242 -2.717) 9.123 5.111 ( 1.487 -4.015 -6.554) 7.828 5.224 ( -2.829 3.018 9.607) 10.460 5.469 ( -3.440 2.840 0.066) 4.462 5.673 ( 1.416 -1.641 8.979) 9.237 5.930 ( 15.826 0.680 1.669) 15.928 6.463 ( 1.741 8.610 -1.723) 8.952 6.561 ( -5.165 -1.546 -3.775) 6.582 6.676 ( 9.951 -7.726 -4.551) 13.395 6.930 ( 1.431 16.044 -11.534) 19.811 7.351 ( -3.889 -12.251 -2.906) 13.178 7.620 ( -5.508 -7.471 6.284) 11.209 7.853 ( -0.649 7.706 -0.397) 7.743 8.146 ( -10.640 0.951 2.550) 10.983 8.569 ( 10.077 -19.674 5.559) 22.792 9.136 ( -3.415 3.221 3.288) 5.731 9.275 ( -0.143 4.608 -7.277) 8.614 9.444 ( 3.328 -1.720 -7.730) 8.590 9.539 ( 7.054 6.255 0.917) 9.472 9.740 ( 1.847 0.855 3.483) 4.034 9.867 ( 3.987 10.899 0.952) 11.644 10.183 ( -1.185 -6.901 4.649) 8.405 10.442 ( -10.939 4.930 1.807) 12.134 10.522 ( 5.662 0.749 -4.734) 7.418 10.783 ( 11.449 -9.901 -8.024) 17.132 11.086 ( -6.141 4.496 -1.673) 7.793 11.195 ( 3.263 3.052 1.233) 4.635 11.438 ( -4.945 1.654 0.411) 5.230 11.687 ( 2.397 -4.362 3.023) 5.823 12.145 ( 3.187 -14.283 -8.145) 16.748 12.523 ( -13.420 2.509 -2.605) 13.899 12.833 ( 7.004 -1.250 -6.035) 9.330 13.137 ( -5.157 8.994 10.942) 15.074 13.586 ( 6.786 5.986 -10.433) 13.810 14.214 ( 5.269 -1.115 1.415) 5.568 14.444 ( -0.618 2.168 2.709) 3.524 14.801 ( 0.527 -10.770 -7.163) 12.945 15.422 ( -5.375 15.505 -11.574) 20.081 15.679 ( 12.065 -6.764 3.200) 14.198 16.300 ( -1.261 5.505 7.003) 8.996 17.118 ( -2.801 -7.564 8.231) 11.524 17.680 ( 2.205 11.256 13.062) 17.383 17.975 ( -5.811 2.911 -13.318) 14.819 18.364 ( -7.862 -16.724 3.325) 18.777 19.549 ( 5.459 4.918 7.214) 10.297 21.587 ( 0.809 0.270 -1.244) 1.508 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -17.235 -20.815 -8.861) 28.440 1.998 ( -23.689 -7.392 -3.266) 25.029 2.798 ( -0.405 -1.173 2.432) 2.730 3.206 ( 3.311 2.143 4.893) 6.284 3.292 ( -4.303 6.909 -2.734) 8.587 3.423 ( 3.275 2.222 8.474) 9.353 3.758 ( -6.785 -7.619 0.081) 10.203 3.840 ( 0.732 -0.824 -2.907) 3.109 3.985 ( -0.051 -3.235 13.125) 13.518 4.195 ( -5.984 2.224 -3.988) 7.527 4.313 ( 4.986 0.743 4.918) 7.043 4.818 ( -2.987 7.278 -6.903) 10.467 4.996 ( 2.255 -4.274 -8.684) 9.939 5.310 ( 1.256 -3.344 -0.016) 3.573 5.457 ( -6.091 5.811 3.631) 9.168 5.833 ( 7.949 1.104 5.766) 9.882 6.116 ( 13.656 -1.421 -3.310) 14.123 6.429 ( -9.057 1.580 1.070) 9.255 6.515 ( 3.005 5.227 1.294) 6.167 6.730 ( 13.002 -6.496 -5.633) 15.588 6.927 ( -1.236 12.949 -8.401) 15.485 7.122 ( -4.753 -7.115 -5.174) 10.000 7.584 ( -6.201 -8.135 6.428) 12.081 7.879 ( -2.931 3.822 -1.416) 5.021 8.166 ( -0.932 11.683 4.899) 12.703 8.594 ( 8.433 -21.294 2.684) 23.060 9.151 ( -7.131 3.883 1.745) 8.306 9.184 ( -1.577 3.536 -8.025) 8.910 9.372 ( 7.414 -2.798 -5.544) 9.672 9.650 ( 7.113 7.883 -5.527) 11.970 9.829 ( -2.638 2.447 6.588) 7.506 10.005 ( 5.769 7.778 -0.825) 9.719 10.204 ( 0.795 -5.386 4.085) 6.806 10.418 ( -3.506 -0.135 6.460) 7.352 10.546 ( 7.039 -2.313 -2.679) 7.879 10.788 ( 11.057 -5.938 -3.541) 13.041 11.007 ( -5.868 6.086 -3.156) 9.024 11.256 ( 2.018 1.593 -2.023) 3.271 11.452 ( -3.549 5.888 3.564) 7.743 11.673 ( -2.347 -5.151 1.832) 5.949 12.050 ( 7.379 -8.089 -3.925) 11.631 12.313 ( -15.424 -2.390 0.220) 15.610 12.867 ( 8.851 1.827 -5.330) 10.492 13.132 ( -18.444 3.876 4.054) 19.278 13.679 ( 18.213 6.113 -4.034) 19.630 14.259 ( 6.558 -0.254 -3.276) 7.335 14.616 ( 5.965 -0.850 4.597) 7.578 14.670 ( 0.850 -1.091 2.207) 2.605 15.251 ( -11.474 11.819 -12.495) 20.675 15.813 ( 9.602 -8.392 3.046) 13.111 16.394 ( 1.204 4.146 1.882) 4.709 17.101 ( -6.462 -4.275 4.513) 8.966 17.716 ( -13.507 1.114 -5.779) 14.733 17.951 ( 3.415 4.019 6.877) 8.666 18.223 ( -2.623 -12.952 5.319) 14.245 19.707 ( 4.277 4.046 1.862) 6.175 21.590 ( 1.237 0.532 -0.702) 1.519 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -20.024 -13.076 3.140) 24.120 1.654 ( -26.511 -5.093 9.159) 28.507 2.833 ( -11.703 -5.629 12.163) 17.793 3.087 ( -6.259 -2.052 -6.052) 8.945 3.299 ( 0.947 2.546 -1.687) 3.198 3.493 ( -0.489 -1.696 -1.158) 2.111 3.670 ( 2.437 -3.179 -3.782) 5.509 3.830 ( 1.088 5.213 -4.814) 7.179 4.096 ( -7.374 3.795 -0.260) 8.297 4.174 ( 7.305 -0.917 10.107) 12.505 4.506 ( 7.280 0.436 6.429) 9.723 4.751 ( 0.218 5.535 -6.426) 8.484 4.896 ( 0.595 -3.093 -3.045) 4.381 5.215 ( -2.785 -3.835 -6.451) 8.006 5.463 ( -4.897 -0.405 3.346) 5.945 5.916 ( 2.681 -1.808 -6.783) 7.515 6.213 ( 10.090 -0.119 -1.814) 10.253 6.462 ( 2.469 7.120 4.858) 8.966 6.626 ( 4.871 0.422 0.370) 4.904 6.773 ( 10.215 -2.308 -2.721) 10.820 6.796 ( -6.592 -1.781 -2.052) 7.130 7.116 ( 0.076 11.255 1.931) 11.419 7.509 ( -2.373 -6.751 -0.240) 7.160 7.817 ( -4.950 1.948 -2.163) 5.742 8.337 ( 1.400 12.947 2.764) 13.313 8.542 ( 5.582 -20.273 -0.628) 21.037 8.991 ( -9.244 1.736 -4.332) 10.355 9.188 ( -0.088 1.316 0.953) 1.627 9.415 ( 5.605 2.293 -2.880) 6.706 9.726 ( 10.069 6.673 -6.186) 13.571 9.869 ( -2.258 3.874 2.054) 4.932 10.070 ( 4.731 3.453 -6.620) 8.839 10.235 ( -0.909 -4.725 7.779) 9.147 10.468 ( 5.056 -10.081 1.568) 11.387 10.593 ( 6.836 -4.180 -0.535) 8.031 10.885 ( 5.979 0.650 1.612) 6.226 10.988 ( 0.534 8.070 1.665) 8.257 11.229 ( 0.080 -0.099 -3.127) 3.130 11.422 ( -4.500 2.950 -4.067) 6.745 11.706 ( -2.296 3.222 6.690) 7.772 11.995 ( -7.398 3.620 -5.596) 9.957 12.207 ( -1.712 -14.062 13.065) 19.271 12.808 ( -12.073 -0.479 -4.601) 12.928 13.053 ( 1.597 1.385 2.185) 3.040 13.947 ( 20.479 10.249 -4.012) 23.249 14.329 ( 11.694 1.442 -3.835) 12.391 14.572 ( 3.192 -7.780 1.263) 8.504 14.896 ( -9.964 -5.214 8.369) 14.018 15.039 ( -0.903 23.993 -7.606) 25.186 15.853 ( 1.218 -7.723 1.165) 7.905 16.450 ( 6.865 2.849 -4.547) 8.713 17.020 ( -10.798 -2.716 4.228) 11.910 17.443 ( -15.626 -8.455 -3.398) 18.089 18.009 ( 2.366 -2.648 0.030) 3.551 18.303 ( 1.143 -4.869 12.627) 13.582 19.747 ( 1.157 5.532 -7.449) 9.350 21.605 ( 1.299 0.630 -0.172) 1.454 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -17.384 2.782 19.053) 25.942 1.555 ( -20.544 -2.864 24.215) 31.885 2.659 ( -31.248 -14.276 25.067) 42.527 3.103 ( 8.975 6.512 -6.094) 12.653 3.293 ( 5.469 -1.155 -3.375) 6.530 3.419 ( 1.342 -1.710 -7.017) 7.346 3.617 ( 4.299 -4.082 -6.685) 8.935 3.784 ( -1.425 8.059 -8.716) 11.956 4.040 ( -6.884 0.825 2.318) 7.311 4.394 ( 12.290 1.701 1.594) 12.509 4.532 ( 2.433 -4.429 -6.652) 8.354 4.821 ( 2.522 5.747 5.963) 8.657 4.899 ( -1.610 0.417 1.833) 2.475 5.067 ( -4.471 0.673 -3.027) 5.441 5.415 ( -2.223 -7.210 0.711) 7.578 5.776 ( -0.796 -2.000 -10.806) 11.018 6.226 ( 1.372 -4.574 -5.533) 7.308 6.561 ( -7.623 6.566 -6.439) 11.945 6.646 ( 7.923 4.261 4.453) 10.038 6.815 ( 7.148 -2.976 4.402) 8.907 6.952 ( 10.317 1.760 6.518) 12.330 7.214 ( -3.145 2.377 2.881) 4.883 7.514 ( 8.493 4.990 1.079) 9.909 7.748 ( -4.084 3.054 -1.368) 5.280 8.383 ( 1.762 -4.325 -4.101) 6.215 8.455 ( 0.114 -4.051 -3.579) 5.407 8.889 ( -8.099 1.486 4.898) 9.581 9.217 ( 3.655 0.915 -0.889) 3.872 9.437 ( 2.476 2.100 -3.037) 4.445 9.777 ( -2.654 3.860 -1.754) 5.002 9.943 ( 7.910 7.515 -7.297) 13.126 10.046 ( 6.374 2.040 -3.435) 7.522 10.263 ( -1.737 -10.578 0.532) 10.733 10.473 ( 8.462 -8.262 3.504) 12.335 10.632 ( 5.883 -5.964 -0.255) 8.382 10.919 ( -0.112 1.915 -2.424) 3.091 11.151 ( 1.345 11.880 0.954) 11.994 11.225 ( 2.649 0.515 2.431) 3.632 11.403 ( 3.044 4.879 2.558) 6.294 11.680 ( -8.111 -6.264 -1.332) 10.335 11.928 ( -4.000 10.919 3.105) 12.036 12.331 ( 0.873 -11.829 17.681) 21.290 12.553 ( -17.582 -5.986 0.302) 18.576 13.126 ( 5.760 1.584 -2.454) 6.458 14.178 ( 17.002 10.721 -9.656) 22.299 14.458 ( 12.055 -7.771 -2.519) 14.563 14.573 ( -11.855 -0.942 -7.277) 13.943 14.715 ( 6.870 6.347 7.247) 11.832 15.288 ( 0.211 15.542 6.300) 16.772 15.791 ( -3.530 -1.790 -0.395) 3.977 16.484 ( 8.364 0.833 -7.049) 10.970 16.935 ( -8.913 -3.701 6.504) 11.638 17.090 ( -20.253 -12.455 -4.559) 24.209 18.056 ( 5.243 -0.921 2.483) 5.874 18.429 ( 0.149 -8.358 11.719) 14.395 19.583 ( -7.396 5.875 -17.586) 19.962 21.624 ( 0.964 0.504 0.028) 1.088 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -6.860 3.268 23.423) 24.624 2.595 ( 2.254 4.161 15.208) 15.927 2.616 ( 5.789 -6.053 -10.406) 13.358 2.831 ( 2.920 -18.699 -9.330) 21.100 3.085 ( 1.305 -1.929 2.495) 3.413 3.459 ( 9.562 -1.975 -9.131) 13.368 3.611 ( -3.658 10.331 6.229) 12.606 3.857 ( -8.192 7.263 -6.143) 12.554 4.134 ( 2.538 -10.404 0.613) 10.727 4.284 ( 1.764 -1.322 5.379) 5.813 4.349 ( 0.483 3.906 3.234) 5.094 4.836 ( 2.742 -4.910 0.229) 5.628 5.085 ( 2.702 0.785 -0.258) 2.825 5.245 ( 7.247 2.494 3.682) 8.503 5.408 ( -1.766 0.525 2.098) 2.793 5.538 ( -0.192 -4.544 6.982) 8.332 5.996 ( -2.701 7.974 -4.641) 9.613 6.126 ( -12.953 4.866 3.091) 14.178 6.703 ( -1.490 -0.176 -9.977) 10.089 6.823 ( 0.687 -1.465 -10.535) 10.659 7.009 ( 3.836 9.630 -7.292) 12.674 7.428 ( -1.428 -7.061 9.367) 11.817 7.582 ( -2.553 -6.135 1.836) 6.894 7.901 ( 3.064 7.054 -4.391) 8.856 8.165 ( 12.638 -16.949 3.317) 21.401 8.662 ( -6.039 -7.699 7.909) 12.582 9.114 ( 1.161 2.973 4.436) 5.465 9.218 ( 0.707 -2.422 -3.233) 4.101 9.401 ( -2.834 4.872 -2.844) 6.313 9.563 ( -3.554 7.052 -3.649) 8.700 9.663 ( -5.182 1.324 0.899) 5.423 9.717 ( -0.524 9.368 -3.035) 9.861 10.223 ( 0.918 -14.210 1.180) 14.288 10.411 ( 10.389 -1.973 -5.372) 11.861 10.562 ( -4.269 4.208 -5.020) 7.819 10.950 ( -2.771 0.581 -2.323) 3.662 11.094 ( -3.681 -1.643 1.248) 4.220 11.206 ( 2.969 8.978 -3.009) 9.923 11.441 ( 5.552 -9.263 -2.530) 11.092 11.676 ( -3.887 -2.030 -0.954) 4.488 12.390 ( -1.525 -15.273 -3.630) 15.772 12.579 ( 5.759 1.466 7.036) 9.210 12.909 ( -2.924 3.936 -9.033) 10.278 13.010 ( 7.830 8.348 6.433) 13.130 13.453 ( -11.124 6.663 -7.864) 15.165 14.103 ( 3.473 -9.241 3.311) 10.412 14.644 ( -1.449 12.090 -10.121) 15.834 15.031 ( 0.252 -13.707 -3.230) 14.084 15.296 ( -0.240 3.936 -6.479) 7.584 15.707 ( -9.974 5.073 -2.276) 11.419 16.117 ( 3.184 10.582 6.759) 12.954 17.148 ( -5.713 -7.941 15.693) 18.493 17.277 ( 6.474 3.870 9.949) 12.485 18.145 ( 4.490 -2.795 -13.640) 14.630 18.595 ( 5.877 -9.000 2.184) 10.968 19.324 ( -6.989 10.687 11.148) 16.951 21.598 ( -0.282 -0.032 -1.488) 1.515 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.581 -21.768 -16.712) 27.450 2.638 ( -4.959 -3.402 2.924) 6.687 2.758 ( 1.246 -4.828 8.893) 10.196 2.885 ( 1.065 0.667 15.952) 16.001 3.138 ( -0.484 4.675 4.946) 6.823 3.534 ( 11.952 -0.497 0.119) 11.963 3.644 ( -10.503 7.149 -8.160) 15.100 3.762 ( 1.203 7.351 5.029) 8.988 4.036 ( -4.254 -9.436 -0.034) 10.351 4.340 ( -0.012 0.240 1.030) 1.058 4.425 ( 0.427 1.758 0.431) 1.860 4.855 ( 5.898 -1.224 -2.776) 6.633 5.053 ( 0.658 -1.402 -5.110) 5.339 5.360 ( -0.998 9.218 -0.201) 9.274 5.471 ( 4.458 -9.870 4.724) 11.815 5.627 ( -2.070 -1.392 6.631) 7.084 5.808 ( -7.049 2.956 0.384) 7.653 6.277 ( 7.775 4.115 3.755) 9.565 6.537 ( -5.560 8.644 -7.393) 12.660 6.731 ( 2.050 0.859 -6.519) 6.888 6.984 ( -3.711 10.799 -8.417) 14.185 7.366 ( -0.767 -10.156 0.062) 10.185 7.658 ( 1.724 -6.497 9.427) 11.578 7.904 ( -1.027 5.588 -4.005) 6.951 8.232 ( 13.752 -17.638 0.744) 22.378 8.492 ( -13.879 -8.219 -0.068) 16.131 9.199 ( 2.331 3.373 -1.839) 4.494 9.227 ( -1.469 -2.102 2.679) 3.709 9.375 ( 2.964 4.725 0.412) 5.593 9.506 ( -3.591 4.766 -6.585) 8.887 9.678 ( 0.982 2.241 4.156) 4.823 9.798 ( 1.758 9.794 1.245) 10.028 10.172 ( 0.805 -9.288 2.481) 9.647 10.422 ( 7.254 -5.640 -5.011) 10.466 10.509 ( -1.049 3.424 -1.063) 3.736 10.848 ( -10.615 3.383 -3.169) 11.583 11.094 ( 2.503 0.087 1.607) 2.976 11.191 ( -2.109 5.121 -5.691) 7.941 11.511 ( 10.059 -5.340 4.018) 12.076 11.578 ( -5.436 -1.833 -0.488) 5.758 12.143 ( -2.368 -13.114 -11.697) 17.731 12.716 ( 0.571 1.960 3.695) 4.221 12.764 ( -1.478 -2.076 -7.167) 7.606 13.176 ( -2.608 7.009 2.659) 7.937 13.430 ( 6.567 9.094 -0.806) 11.246 14.125 ( 1.128 -3.805 2.595) 4.741 14.542 ( -4.353 7.395 -7.941) 11.692 14.830 ( -2.680 -11.435 -7.124) 13.736 15.322 ( 6.723 6.395 -3.649) 9.971 15.659 ( -4.938 7.608 -0.065) 9.070 16.301 ( 0.759 3.172 8.256) 8.877 17.198 ( -4.513 -9.163 10.994) 15.006 17.550 ( 7.325 5.603 11.524) 14.759 18.014 ( 1.885 4.511 -12.102) 13.052 18.543 ( -2.842 -18.243 2.454) 18.625 19.480 ( -1.017 10.383 7.113) 12.627 21.575 ( 0.016 0.129 -1.478) 1.484 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -3.932 -21.136 -9.476) 23.495 2.495 ( -14.530 -2.920 -0.274) 14.823 2.790 ( -0.190 -7.444 2.711) 7.924 3.120 ( 0.914 2.788 12.866) 13.197 3.258 ( 5.113 4.869 0.489) 7.078 3.489 ( -6.044 6.872 -5.648) 10.754 3.710 ( 6.813 -1.483 7.440) 10.197 3.791 ( 4.358 -11.165 -5.326) 13.116 4.051 ( -3.155 7.196 12.357) 14.644 4.326 ( -3.974 3.874 -0.828) 5.611 4.401 ( -6.743 -1.182 3.156) 7.539 4.819 ( 6.289 -4.772 -11.299) 13.783 5.005 ( -3.198 5.494 -2.676) 6.897 5.310 ( -5.283 -7.736 -4.418) 10.357 5.471 ( 6.666 6.839 -2.165) 9.793 5.679 ( 2.508 -0.927 2.806) 3.876 5.903 ( 1.719 -0.604 7.107) 7.337 6.336 ( 9.368 -4.703 -6.427) 12.296 6.582 ( -2.004 14.307 3.610) 14.891 6.694 ( -5.620 -2.104 3.078) 6.744 6.889 ( -1.982 16.436 -11.487) 20.150 7.275 ( -2.914 -8.692 -2.046) 9.393 7.708 ( -1.804 -10.046 6.607) 12.159 7.881 ( 0.378 5.620 -3.328) 6.542 8.259 ( 5.889 -11.474 -1.173) 12.950 8.324 ( -0.712 -5.204 -0.143) 5.254 9.164 ( 2.793 2.666 -5.934) 7.080 9.260 ( -2.211 -0.039 4.212) 4.757 9.329 ( -3.398 1.365 -9.841) 10.500 9.528 ( 3.742 5.241 1.236) 6.557 9.813 ( 3.174 0.314 9.227) 9.763 9.889 ( 2.601 7.057 -1.252) 7.624 10.177 ( 2.217 -7.142 4.059) 8.509 10.389 ( 3.194 -6.107 -2.920) 7.485 10.554 ( 3.466 0.964 2.792) 4.554 10.688 ( -12.448 4.757 -1.840) 13.452 11.123 ( -2.071 3.373 -4.499) 5.993 11.164 ( 4.385 2.038 -0.760) 4.894 11.543 ( -3.523 3.830 3.186) 6.102 11.664 ( 7.332 -5.445 6.472) 11.193 11.878 ( 0.929 -8.302 -12.199) 14.785 12.654 ( -5.964 -2.921 -1.430) 6.793 12.708 ( -1.489 2.521 -2.808) 4.057 13.280 ( 8.216 6.255 1.767) 10.476 13.502 ( -4.356 3.215 -1.606) 5.648 14.143 ( 2.028 0.789 -2.007) 2.960 14.507 ( 2.098 6.358 -0.605) 6.722 14.660 ( -0.375 -7.752 -3.160) 8.380 15.406 ( 2.970 11.208 -5.687) 12.915 15.663 ( -2.340 1.587 3.619) 4.592 16.382 ( 0.064 -3.084 2.601) 4.035 17.202 ( -2.752 -5.125 4.994) 7.667 17.824 ( 6.198 4.204 7.187) 10.380 17.943 ( -3.525 6.277 -1.195) 7.298 18.353 ( -6.264 -21.163 1.433) 22.117 19.619 ( 2.201 7.030 2.358) 7.734 21.564 ( 0.620 0.508 -1.022) 1.299 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -11.039 -11.906 2.338) 16.403 2.271 ( -20.762 -1.708 4.373) 21.286 2.775 ( 2.172 -5.210 1.840) 5.937 3.210 ( -1.373 -1.948 -3.495) 4.230 3.274 ( 3.243 0.254 -7.472) 8.149 3.447 ( 4.184 3.704 -5.336) 7.726 3.756 ( 3.823 -2.468 2.245) 5.074 3.827 ( -3.895 -4.411 8.430) 10.281 4.197 ( -4.918 -6.124 7.978) 11.195 4.312 ( -10.077 10.952 4.297) 15.491 4.386 ( 0.612 2.114 6.926) 7.267 4.698 ( 5.240 -3.480 -11.438) 13.054 4.931 ( -6.928 6.034 -2.943) 9.647 5.185 ( 3.884 -6.087 -5.590) 9.131 5.551 ( 1.622 3.953 -4.830) 6.449 5.733 ( 6.170 -4.263 0.918) 7.555 5.992 ( 5.744 1.775 0.774) 6.062 6.367 ( 10.203 -3.906 -2.945) 11.315 6.586 ( -9.001 2.042 0.679) 9.254 6.724 ( -4.351 7.111 8.447) 11.868 6.903 ( 2.881 14.923 -8.566) 17.446 7.131 ( -5.125 -2.864 -0.471) 5.890 7.644 ( -5.404 -11.761 2.837) 13.250 7.887 ( 0.814 4.721 -4.589) 6.634 8.252 ( 7.555 -7.232 -2.188) 10.685 8.334 ( 4.826 -1.522 0.115) 5.062 9.118 ( -2.280 2.281 -7.299) 7.979 9.240 ( 6.165 1.781 -1.107) 6.512 9.286 ( -4.178 1.478 2.757) 5.220 9.576 ( 1.587 6.152 -5.040) 8.110 9.915 ( 4.295 -1.659 0.282) 4.613 9.984 ( -0.083 3.802 4.542) 5.923 10.214 ( 0.476 -8.181 7.214) 10.917 10.353 ( 5.553 -7.858 -2.637) 9.977 10.567 ( -8.538 4.449 -1.338) 9.720 10.687 ( 6.920 0.739 6.259) 9.360 11.072 ( -3.322 4.784 -2.078) 6.184 11.186 ( 3.067 0.177 -4.274) 5.264 11.548 ( -4.631 3.954 -2.553) 6.603 11.743 ( -1.085 1.817 5.371) 5.773 11.850 ( 12.026 -6.491 1.735) 13.776 12.500 ( -13.920 -1.985 1.947) 14.195 12.732 ( 6.615 3.768 -2.372) 7.974 13.329 ( -9.200 -2.181 -6.360) 11.395 13.510 ( 10.032 6.814 4.472) 12.926 14.120 ( 4.246 1.354 -7.921) 9.089 14.548 ( -0.158 -5.259 3.134) 6.124 14.757 ( 10.734 11.779 4.751) 16.629 15.335 ( -11.468 8.317 -7.343) 15.956 15.751 ( 4.106 -4.082 7.675) 9.614 16.339 ( 2.490 -1.407 -7.531) 8.056 17.199 ( -3.146 -1.460 3.449) 4.891 17.782 ( -9.959 -6.692 -1.596) 12.104 18.011 ( -2.253 -3.358 2.247) 4.626 18.257 ( 1.673 -7.576 10.265) 12.867 19.688 ( 2.963 4.798 -3.883) 6.847 21.572 ( 1.159 0.897 -0.354) 1.508 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.247 2.948 14.544) 22.004 2.108 ( -21.561 -0.912 14.055) 25.754 2.839 ( 8.969 0.959 -2.029) 9.246 3.015 ( -2.674 -14.870 -4.143) 15.666 3.209 ( 4.348 2.270 -12.478) 13.407 3.439 ( 5.715 3.487 -10.363) 12.338 3.757 ( -16.345 -9.000 8.487) 20.499 3.839 ( 0.553 7.077 0.609) 7.125 4.128 ( -3.641 -7.825 1.430) 8.748 4.307 ( -5.334 0.804 5.372) 7.613 4.529 ( -1.764 3.105 -0.508) 3.607 4.677 ( 7.494 3.869 3.366) 9.081 4.909 ( -1.187 4.560 0.804) 4.780 5.117 ( 1.267 -5.785 -3.560) 6.910 5.441 ( -0.222 -3.928 -9.315) 10.112 5.754 ( 3.399 -5.642 -3.543) 7.479 6.115 ( 7.632 6.709 -1.062) 10.217 6.441 ( 9.895 -5.578 -0.931) 11.396 6.553 ( -3.759 7.105 2.886) 8.540 6.829 ( -5.920 4.800 -5.368) 9.322 6.853 ( -0.788 3.409 8.926) 9.588 7.219 ( 6.876 13.974 2.639) 15.796 7.500 ( -7.885 -9.346 0.899) 12.260 7.841 ( -2.122 2.627 -3.878) 5.143 8.212 ( 9.402 -16.608 -6.212) 20.070 8.415 ( 3.326 7.660 -2.737) 8.788 9.047 ( -3.155 3.617 -0.500) 4.825 9.249 ( -3.304 -2.547 1.070) 4.306 9.377 ( 3.810 6.846 2.078) 8.106 9.564 ( 6.293 4.677 -6.394) 10.118 9.948 ( 2.553 0.834 -1.830) 3.250 10.007 ( -4.486 1.423 2.132) 5.167 10.274 ( 5.428 -12.749 0.569) 13.868 10.316 ( 0.149 -5.285 4.544) 6.972 10.515 ( -0.231 1.702 -1.214) 2.104 10.877 ( 6.329 -0.664 6.004) 8.749 11.068 ( -1.294 6.900 -0.018) 7.020 11.165 ( 3.374 0.769 -2.829) 4.469 11.468 ( -4.602 2.752 -2.067) 5.747 11.814 ( -2.234 3.059 1.237) 3.985 11.961 ( 5.104 -0.080 -0.294) 5.113 12.403 ( -8.801 -4.427 11.902) 15.450 12.814 ( 2.593 4.635 -2.033) 5.687 13.108 ( -9.689 -4.287 -1.909) 10.765 13.769 ( 14.866 9.386 0.857) 17.602 14.082 ( 9.675 -4.776 -7.853) 13.345 14.604 ( 1.162 2.605 6.343) 6.955 15.041 ( -4.363 20.395 -17.692) 27.350 15.117 ( -0.673 -4.857 14.764) 15.556 15.850 ( -0.591 -5.887 7.386) 9.463 16.272 ( 7.428 4.863 -11.952) 14.888 17.168 ( -7.431 -1.727 2.248) 7.953 17.524 ( -13.186 -16.291 0.671) 20.970 17.974 ( -0.250 -3.668 1.394) 3.932 18.409 ( 1.241 -3.978 11.364) 12.104 19.645 ( 1.221 3.761 -11.521) 12.181 21.594 ( 1.283 1.020 0.107) 1.642 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -15.841 13.649 20.885) 29.554 2.093 ( -17.747 -1.327 20.391) 27.065 2.791 ( 7.080 -4.703 -9.055) 12.419 3.077 ( 7.853 1.363 -14.028) 16.134 3.083 ( 6.066 -5.455 9.144) 12.254 3.370 ( 5.288 3.858 -13.684) 15.169 3.566 ( -16.922 -10.500 7.854) 21.408 3.870 ( -8.072 8.135 3.524) 11.990 4.059 ( 0.392 -6.238 -0.910) 6.316 4.313 ( 2.064 -0.884 -4.397) 4.937 4.497 ( -5.516 2.928 4.362) 7.617 4.854 ( 5.715 -2.890 3.219) 7.167 4.900 ( -1.324 -1.302 -4.358) 4.737 5.092 ( 4.004 -2.719 3.570) 6.014 5.335 ( 2.379 -0.234 -3.469) 4.213 5.640 ( -3.936 -5.044 -6.081) 8.827 6.188 ( -1.070 5.916 -3.838) 7.133 6.509 ( 10.618 -6.140 -0.734) 12.287 6.626 ( -1.372 10.084 -1.363) 10.268 6.757 ( 1.669 -0.450 1.814) 2.506 7.018 ( 2.757 7.555 4.938) 9.437 7.356 ( -8.428 -5.081 1.197) 9.913 7.495 ( 8.854 13.009 7.221) 17.314 7.797 ( -2.021 2.652 -0.968) 3.472 8.110 ( 8.738 -15.338 -7.746) 19.277 8.414 ( 0.506 4.210 -6.588) 7.835 9.042 ( -4.747 1.846 2.262) 5.573 9.222 ( -1.816 -0.131 2.839) 3.372 9.426 ( -0.018 4.214 -1.082) 4.351 9.702 ( 11.991 6.327 -1.343) 13.624 9.922 ( -3.956 3.801 -3.669) 6.600 9.998 ( -0.288 1.104 0.940) 1.478 10.121 ( -1.205 -13.344 -5.876) 14.630 10.459 ( 3.748 -5.792 9.420) 11.676 10.536 ( 4.337 0.259 1.639) 4.644 10.902 ( -2.206 -0.292 -3.838) 4.436 11.115 ( 5.466 3.324 -3.480) 7.283 11.280 ( 5.170 6.551 5.005) 9.731 11.460 ( 0.044 1.964 3.131) 3.696 11.695 ( -8.215 -1.648 -6.902) 10.855 12.014 ( 2.038 4.264 0.537) 4.756 12.517 ( -1.099 -4.789 15.602) 16.358 12.732 ( -13.527 -4.232 2.280) 14.356 13.036 ( 2.437 3.257 -3.497) 5.365 13.983 ( 9.267 5.760 -3.914) 11.592 14.154 ( 20.585 -6.233 -0.388) 21.511 14.662 ( -20.230 -0.022 -12.527) 23.795 14.780 ( 5.353 8.652 5.337) 11.489 15.420 ( 9.082 13.394 3.862) 16.637 15.836 ( -6.620 -4.167 3.608) 8.614 16.292 ( 9.728 5.192 -7.553) 13.365 17.018 ( -10.750 -7.524 -2.329) 13.327 17.290 ( -15.541 -11.437 7.582) 20.732 18.009 ( 5.492 -2.080 2.387) 6.339 18.503 ( -0.712 -7.093 7.960) 10.686 19.473 ( -3.396 3.238 -14.397) 15.142 21.616 ( 0.926 0.774 0.050) 1.208 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 12.974 -17.793 -14.198) 26.201 2.509 ( 17.395 -9.953 -0.637) 20.051 2.726 ( 1.340 -5.156 -0.976) 5.416 2.924 ( -7.318 3.305 17.730) 19.463 3.219 ( -4.237 8.316 6.175) 11.190 3.306 ( 1.288 4.357 0.822) 4.618 3.759 ( -1.910 3.584 -0.543) 4.097 3.911 ( -5.355 -3.201 -8.533) 10.571 3.982 ( 9.846 -2.278 5.077) 11.310 4.284 ( 4.498 0.266 4.788) 6.575 4.424 ( -0.674 4.817 -0.805) 4.930 4.712 ( 0.768 -3.849 -6.815) 7.864 5.085 ( -2.083 -3.931 -0.829) 4.525 5.202 ( 5.868 -0.410 5.315) 7.928 5.449 ( 1.509 2.359 1.582) 3.216 5.665 ( -1.818 -1.141 11.659) 11.855 6.082 ( -10.448 5.946 -4.350) 12.785 6.290 ( -8.289 -2.991 1.417) 8.925 6.578 ( 8.800 0.304 -4.842) 10.049 6.724 ( -6.811 2.123 -8.822) 11.345 6.998 ( -0.980 15.508 -6.218) 16.737 7.491 ( 0.009 -9.078 6.932) 11.422 7.608 ( -3.343 -5.450 0.788) 6.442 7.720 ( 12.413 0.238 -6.055) 13.813 8.016 ( 3.783 -5.782 2.236) 7.263 8.753 ( -4.601 -9.517 4.768) 11.597 9.131 ( 0.932 1.649 -3.197) 3.716 9.199 ( 4.377 2.652 5.098) 7.224 9.452 ( -9.085 0.803 -5.485) 10.643 9.616 ( -3.774 7.670 -3.887) 9.390 9.722 ( -2.278 4.149 -2.986) 5.597 9.767 ( -1.628 0.379 3.200) 3.610 10.198 ( -2.120 -6.987 7.222) 10.269 10.267 ( 4.099 -1.715 1.288) 4.626 10.599 ( -5.439 5.444 -4.382) 8.856 10.914 ( 3.342 -6.831 0.116) 7.605 11.103 ( -0.683 4.786 -4.049) 6.306 11.217 ( -0.163 8.602 -1.930) 8.817 11.321 ( 2.276 -6.291 0.602) 6.717 11.730 ( -4.874 0.572 -0.354) 4.920 12.190 ( -0.521 -12.978 -11.583) 17.403 12.529 ( 11.112 0.985 4.186) 11.915 12.880 ( -5.973 1.463 -7.125) 9.411 13.034 ( 11.445 2.867 7.198) 13.821 13.547 ( -12.962 4.742 -5.991) 15.046 14.162 ( -4.316 -3.069 10.030) 11.342 14.579 ( 1.244 11.328 -11.537) 16.216 14.875 ( 0.773 -12.239 -4.504) 13.064 15.254 ( -1.104 10.682 -10.596) 15.087 15.820 ( -8.113 -2.619 -0.016) 8.525 16.268 ( 1.708 8.141 10.540) 13.427 17.296 ( 8.692 0.161 4.790) 9.925 17.370 ( -4.582 -8.285 13.624) 16.591 17.939 ( 3.061 0.391 -6.033) 6.776 18.463 ( 7.715 -8.119 1.142) 11.258 19.586 ( -5.796 7.817 4.960) 10.923 21.586 ( -0.811 0.232 -1.216) 1.480 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 3.144 -19.749 -7.032) 21.198 2.640 ( 6.210 -7.565 4.366) 10.717 2.729 ( 6.152 -5.089 0.511) 8.000 3.117 ( -2.052 5.288 8.226) 9.992 3.184 ( -0.798 5.504 -0.629) 5.597 3.526 ( 4.566 0.804 13.006) 13.808 3.579 ( -2.365 -5.077 -14.109) 15.180 3.823 ( -4.553 5.599 -2.942) 7.793 4.075 ( 3.135 -5.530 4.305) 7.677 4.395 ( -0.164 2.736 5.505) 6.150 4.479 ( 0.484 7.266 0.774) 7.323 4.646 ( 4.642 -4.133 -4.624) 7.747 5.020 ( -0.434 -0.902 -2.108) 2.334 5.273 ( 4.828 -0.705 -3.761) 6.161 5.516 ( -1.374 0.130 3.030) 3.330 5.713 ( -6.867 0.340 -0.950) 6.941 5.927 ( -3.865 -0.942 3.443) 5.261 6.231 ( -2.740 -1.737 -0.791) 3.340 6.573 ( 4.467 4.838 -7.397) 9.904 6.737 ( 0.230 11.296 5.395) 12.521 7.011 ( -2.492 13.774 -5.835) 15.165 7.345 ( -7.369 -10.345 -0.494) 12.711 7.654 ( 4.308 -12.032 5.933) 14.090 7.786 ( 10.762 1.600 -8.124) 13.579 8.050 ( 2.501 -3.757 2.245) 5.041 8.553 ( -9.924 -9.305 -4.779) 14.419 9.130 ( 0.383 2.648 -3.363) 4.298 9.319 ( -3.357 -1.592 1.874) 4.161 9.370 ( 3.509 2.570 1.542) 4.614 9.505 ( -5.204 5.423 -6.662) 10.044 9.731 ( 2.006 2.439 3.613) 4.799 9.855 ( 1.702 3.901 2.570) 4.972 10.170 ( -3.472 -5.825 3.764) 7.756 10.342 ( 0.498 -3.313 6.382) 7.208 10.549 ( -2.312 2.914 -0.842) 3.814 10.922 ( 0.291 -0.418 -0.272) 0.577 11.060 ( -1.039 2.985 -3.863) 4.991 11.185 ( -2.090 4.708 -4.189) 6.640 11.415 ( 8.283 -1.787 3.503) 9.169 11.646 ( -4.922 -0.440 -0.168) 4.944 11.934 ( -2.439 -9.407 -9.832) 13.824 12.684 ( 3.341 -1.973 0.929) 3.990 12.742 ( -1.194 1.566 -2.585) 3.250 13.303 ( -4.255 7.085 3.605) 9.017 13.387 ( 6.441 2.433 -0.824) 6.935 14.193 ( -5.509 -0.021 3.619) 6.591 14.483 ( 0.602 8.547 -12.209) 14.915 14.705 ( -2.509 -10.260 -3.893) 11.257 15.286 ( 4.150 11.744 -2.291) 12.664 15.760 ( -3.299 1.381 1.479) 3.870 16.407 ( -2.108 -0.969 4.881) 5.404 17.275 ( -2.300 -7.994 1.512) 8.455 17.617 ( 9.337 4.655 10.173) 14.572 17.965 ( 0.851 3.587 3.239) 4.908 18.438 ( 0.586 -17.174 0.572) 17.194 19.615 ( -2.017 7.177 -0.920) 7.512 21.564 ( -0.624 0.508 -0.966) 1.257 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.402 -10.396 4.690) 11.656 2.639 ( -6.533 -1.497 2.204) 7.056 2.777 ( 1.348 -8.384 4.058) 9.412 3.122 ( 5.388 -1.278 -8.244) 9.931 3.261 ( 0.590 -1.022 1.227) 1.703 3.346 ( 0.544 -0.394 -13.339) 13.356 3.711 ( 1.145 -6.232 9.108) 11.096 3.813 ( 1.218 7.098 2.528) 7.632 4.148 ( 5.320 -5.722 4.386) 8.961 4.450 ( -1.670 -0.607 2.122) 2.768 4.541 ( 0.765 6.449 -0.363) 6.504 4.608 ( -5.793 2.807 1.394) 6.587 5.015 ( 1.886 3.320 -1.984) 4.303 5.206 ( -1.425 -5.586 -6.676) 8.821 5.430 ( -2.725 4.446 -4.677) 7.005 5.708 ( 0.647 0.535 1.607) 1.813 5.937 ( -0.143 -3.974 1.236) 4.164 6.202 ( 1.015 -0.484 0.751) 1.352 6.627 ( 6.464 7.752 -2.822) 10.481 6.883 ( -4.456 14.240 3.764) 15.388 6.946 ( -8.672 5.231 -2.798) 10.507 7.240 ( -0.971 -5.266 0.270) 5.361 7.661 ( 3.993 -15.510 2.743) 16.249 7.784 ( 5.652 2.698 -8.816) 10.814 8.077 ( 2.159 -4.574 1.573) 5.297 8.353 ( -3.126 -1.402 -4.772) 5.874 9.100 ( 0.560 4.405 -3.874) 5.892 9.252 ( -5.064 0.541 -6.232) 8.048 9.335 ( -0.564 1.972 -0.547) 2.123 9.545 ( 1.893 4.697 0.956) 5.153 9.837 ( 2.636 -5.594 3.221) 6.973 9.932 ( 1.922 4.181 6.068) 7.616 10.178 ( -0.438 -3.049 6.065) 6.802 10.379 ( -4.201 -7.021 5.961) 10.123 10.543 ( 3.441 0.701 -0.964) 3.642 10.859 ( -10.223 5.168 -1.846) 11.603 11.041 ( 4.598 -0.392 -4.301) 6.308 11.164 ( -1.613 5.092 -1.169) 5.468 11.535 ( 10.195 -3.000 -1.668) 10.757 11.629 ( -0.828 2.736 0.426) 2.890 11.789 ( -2.591 -3.115 2.493) 4.757 12.630 ( -0.951 -0.058 -0.849) 1.276 12.777 ( -2.821 1.199 0.508) 3.107 13.224 ( 0.527 4.798 -5.184) 7.084 13.583 ( 0.590 0.968 7.168) 7.257 14.111 ( -3.487 0.503 -6.292) 7.211 14.453 ( 7.022 9.238 -7.104) 13.606 14.617 ( -1.152 -4.518 2.921) 5.502 15.424 ( 2.986 10.114 2.306) 10.795 15.764 ( -2.803 2.604 2.166) 4.397 16.328 ( -2.546 -7.674 -5.984) 10.058 17.232 ( -0.431 -4.268 1.802) 4.653 17.864 ( 4.054 3.633 5.864) 8.001 18.064 ( -1.154 -0.276 6.740) 6.844 18.279 ( -3.424 -17.576 3.249) 18.199 19.618 ( 2.194 4.481 -5.531) 7.449 21.556 ( -0.040 1.018 -0.391) 1.092 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -7.033 3.001 15.366) 17.163 2.558 ( -11.446 0.248 5.088) 12.529 2.730 ( -1.631 -6.637 -1.947) 7.107 2.991 ( 5.453 -14.466 -9.035) 17.906 3.178 ( -0.889 0.572 -14.282) 14.321 3.277 ( 4.567 2.452 -4.045) 6.575 3.773 ( 2.019 1.814 1.151) 2.948 3.939 ( 0.368 -5.084 8.638) 10.030 4.226 ( 3.244 -5.129 3.769) 7.144 4.390 ( -1.618 -4.112 -3.365) 5.555 4.516 ( 0.660 0.789 -4.348) 4.468 4.674 ( -7.602 11.119 9.815) 16.666 5.033 ( -1.806 6.246 -2.701) 7.041 5.080 ( -3.572 -4.122 0.654) 5.494 5.376 ( 3.984 0.947 -11.474) 12.183 5.697 ( -0.259 -6.122 2.373) 6.570 5.969 ( 3.213 5.019 0.542) 5.984 6.241 ( 4.262 -2.117 0.483) 4.784 6.725 ( -0.720 3.392 3.289) 4.780 6.861 ( -0.364 10.608 -6.808) 12.610 6.949 ( -5.486 8.235 4.135) 10.724 7.171 ( -5.455 -1.945 0.484) 5.812 7.616 ( 1.480 -12.977 1.189) 13.115 7.777 ( 6.466 2.355 -6.661) 9.577 8.069 ( 0.351 -4.818 -0.380) 4.845 8.322 ( 3.203 5.133 -3.694) 7.088 9.081 ( 0.069 4.122 -4.537) 6.130 9.204 ( 1.660 1.790 1.229) 2.733 9.349 ( 0.159 4.124 0.907) 4.226 9.552 ( -1.780 4.365 -4.823) 6.744 9.852 ( 2.989 -6.690 2.766) 7.832 10.058 ( 1.513 -0.400 3.711) 4.028 10.258 ( 0.364 0.627 4.613) 4.669 10.292 ( -5.176 -13.074 6.302) 15.409 10.627 ( 2.734 2.799 -0.371) 3.931 10.752 ( -5.581 3.393 1.479) 6.697 11.051 ( 4.899 0.479 -2.840) 5.683 11.152 ( -3.107 5.722 -2.390) 6.936 11.558 ( -0.433 2.842 -4.920) 5.698 11.693 ( 9.347 -5.710 4.877) 11.990 11.856 ( 0.275 3.892 4.450) 5.918 12.655 ( -2.961 0.274 2.886) 4.144 12.717 ( -3.805 4.598 0.871) 6.031 13.232 ( 5.169 3.874 -7.633) 10.000 13.615 ( -5.943 -1.635 8.167) 10.232 13.975 ( -0.307 -0.717 -9.275) 9.308 14.587 ( 4.826 3.511 3.075) 6.713 14.696 ( 10.816 11.217 -1.328) 15.638 15.475 ( -10.117 1.811 1.827) 10.439 15.821 ( 1.404 -0.103 8.064) 8.186 16.138 ( 2.415 -1.708 -14.138) 14.444 17.241 ( 0.615 -3.566 2.905) 4.641 17.800 ( -9.405 -17.626 -2.241) 20.104 18.035 ( -1.548 -2.522 1.570) 3.350 18.381 ( 0.606 -0.167 15.457) 15.469 19.571 ( 3.802 1.432 -10.823) 11.560 21.567 ( 0.600 1.426 0.159) 1.555 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -11.664 12.255 17.525) 24.358 2.521 ( -14.643 -0.738 12.860) 19.502 2.580 ( 7.649 -7.049 -16.021) 19.101 2.911 ( 6.383 -10.122 -7.053) 13.890 2.985 ( -0.133 -2.379 -2.237) 3.268 3.268 ( 2.145 5.410 -8.457) 10.266 3.816 ( 5.457 0.194 -3.606) 6.544 3.900 ( -8.761 -4.921 0.250) 10.051 4.231 ( -5.287 -5.414 4.273) 8.691 4.318 ( 0.779 -3.320 -1.907) 3.907 4.557 ( 4.032 1.327 4.519) 6.199 4.731 ( 0.101 -2.707 -4.025) 4.851 4.965 ( -5.840 3.365 -0.435) 6.754 5.064 ( -2.394 -1.484 3.927) 4.832 5.290 ( 1.634 2.120 -5.043) 5.709 5.691 ( -0.729 -5.994 2.619) 6.582 6.076 ( 4.926 10.359 -1.836) 11.617 6.296 ( 7.811 -4.384 0.455) 8.968 6.746 ( -6.812 5.571 4.208) 9.754 6.827 ( -4.046 -1.393 -1.856) 4.664 7.008 ( -1.710 9.721 1.769) 10.028 7.211 ( 7.657 10.541 -0.703) 13.048 7.551 ( -0.505 -8.526 1.014) 8.601 7.783 ( 3.208 -1.321 -2.188) 4.102 8.008 ( -2.517 -3.841 -1.613) 4.867 8.351 ( 3.608 5.821 -5.980) 9.092 9.082 ( 1.283 2.474 -0.793) 2.898 9.251 ( 1.611 -0.506 1.786) 2.458 9.450 ( -1.449 7.400 -1.487) 7.686 9.491 ( 2.367 3.752 1.794) 4.785 9.875 ( 4.298 -4.781 -0.706) 6.468 10.055 ( 0.771 -4.318 -2.512) 5.055 10.200 ( -6.953 -5.407 5.896) 10.599 10.396 ( 1.697 -3.431 11.247) 11.880 10.565 ( -6.272 6.096 -3.646) 9.476 10.850 ( 6.069 -2.134 3.882) 7.514 11.064 ( 0.500 1.244 -4.984) 5.161 11.162 ( 1.675 6.946 2.575) 7.595 11.485 ( -1.442 -0.218 -2.980) 3.317 11.835 ( 2.151 -0.456 -0.392) 2.234 11.896 ( 3.551 3.147 -1.556) 4.993 12.611 ( -6.412 -3.939 7.118) 10.359 12.815 ( 2.304 8.734 1.207) 9.113 13.161 ( -4.722 0.507 -3.922) 6.159 13.715 ( 7.557 0.189 4.949) 9.035 13.875 ( 1.660 -1.364 -4.296) 4.803 14.695 ( 1.661 4.771 4.778) 6.953 14.925 ( 11.319 22.083 -13.414) 28.208 15.292 ( -12.548 -14.303 7.599) 20.488 15.935 ( 1.309 -3.131 2.322) 4.112 16.069 ( 6.125 10.162 -5.287) 12.990 17.237 ( -3.878 -2.738 -0.276) 4.755 17.512 ( -5.270 -24.047 1.694) 24.676 18.010 ( -4.057 -0.883 1.318) 4.357 18.560 ( -3.766 -1.286 13.036) 13.630 19.446 ( 4.227 -0.278 -14.941) 15.530 21.592 ( 0.874 1.417 0.332) 1.698 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -4.081 5.541 4.520) 8.233 2.378 ( -2.974 -4.174 -0.960) 5.214 2.634 ( -1.877 4.716 10.110) 11.313 2.721 ( 4.212 -4.982 -13.899) 15.354 3.160 ( 5.766 -1.033 14.461) 15.602 3.194 ( 0.503 6.552 -10.465) 12.357 3.687 ( -8.963 -10.407 -0.101) 13.735 3.870 ( 5.387 5.064 -6.403) 9.780 4.112 ( 0.231 -8.357 -9.256) 12.473 4.290 ( -8.174 1.498 4.501) 9.451 4.574 ( 6.546 -9.414 -6.870) 13.367 4.710 ( 1.668 -3.708 8.614) 9.525 4.915 ( -4.659 -1.503 -0.097) 4.897 5.137 ( -3.286 0.243 10.757) 11.251 5.298 ( 2.249 4.796 -2.242) 5.752 5.647 ( -4.639 -3.815 1.734) 6.252 6.165 ( 4.847 9.182 -5.404) 11.705 6.368 ( 3.797 -3.782 1.169) 5.485 6.753 ( -5.301 6.978 0.679) 8.790 6.780 ( -0.636 -1.833 4.912) 5.281 7.075 ( 0.741 9.766 -2.303) 10.062 7.343 ( 3.390 2.993 -2.636) 5.234 7.587 ( 9.548 0.033 2.116) 9.780 7.766 ( -1.604 -3.318 -0.458) 3.714 7.935 ( -2.943 -1.342 0.968) 3.376 8.336 ( 2.128 5.492 -6.199) 8.551 9.083 ( -1.079 -2.796 0.084) 2.998 9.313 ( -0.278 1.408 5.483) 5.668 9.427 ( 0.760 4.346 -1.238) 4.582 9.650 ( 5.514 5.184 1.966) 7.819 9.870 ( 3.476 -1.487 -3.594) 5.216 9.985 ( -0.616 -4.638 -2.032) 5.101 10.148 ( -11.155 -2.068 5.759) 12.723 10.482 ( -2.380 -0.546 0.065) 2.442 10.595 ( 3.602 2.526 9.615) 10.574 10.861 ( -2.704 -2.542 -4.669) 5.964 11.024 ( 4.269 2.015 -3.055) 5.623 11.317 ( 5.245 6.240 3.747) 8.972 11.483 ( 2.163 -0.751 1.897) 2.973 11.684 ( -7.841 2.894 -10.593) 13.493 11.970 ( 5.438 -0.114 -1.538) 5.653 12.627 ( 0.308 -6.200 4.414) 7.617 12.856 ( -4.436 0.669 1.029) 4.602 13.091 ( -5.949 5.327 1.984) 8.228 13.808 ( 9.380 -8.173 -3.281) 12.866 13.989 ( 9.827 7.342 6.312) 13.795 14.733 ( -16.715 4.282 -14.309) 22.416 14.840 ( 4.160 7.978 3.303) 9.584 15.372 ( 11.551 3.192 2.085) 12.163 15.924 ( 1.056 1.623 -3.239) 3.773 16.191 ( 1.036 5.288 4.082) 6.760 17.047 ( -9.219 -9.489 -3.765) 13.755 17.435 ( -1.954 -16.162 10.752) 19.510 17.972 ( -0.491 -0.137 -0.747) 0.905 18.574 ( -6.976 -4.279 1.471) 8.315 19.336 ( 3.846 0.970 -6.937) 7.991 21.614 ( 0.612 1.030 0.031) 1.198 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 18.790 -18.182 -4.841) 26.591 2.130 ( 27.612 -6.830 -1.826) 28.502 2.698 ( -0.806 -3.085 3.499) 4.734 3.181 ( -1.201 0.382 7.020) 7.133 3.286 ( -4.674 8.443 -5.577) 11.146 3.506 ( 0.902 4.424 10.113) 11.075 3.707 ( -8.729 -1.271 -11.241) 14.289 3.745 ( 10.966 -10.659 3.996) 15.806 3.966 ( -0.514 -2.355 -1.693) 2.946 4.240 ( 9.674 -0.560 -1.075) 9.749 4.495 ( -1.864 9.701 4.035) 10.671 4.666 ( -4.369 -0.131 -1.359) 4.578 5.036 ( 0.538 -2.751 -2.042) 3.468 5.258 ( -2.905 -2.617 4.149) 5.701 5.430 ( 5.605 3.230 -0.473) 6.486 5.852 ( -5.195 1.381 8.306) 9.894 6.175 ( -12.186 -2.196 -5.585) 13.584 6.417 ( 5.333 5.361 -4.580) 8.841 6.441 ( -9.848 0.468 4.319) 10.764 6.693 ( -1.012 -1.102 -4.455) 4.700 7.005 ( 4.596 8.476 -3.656) 10.312 7.425 ( 9.688 4.971 -9.936) 14.741 7.471 ( 2.496 -9.560 3.154) 10.372 7.763 ( -8.968 -2.346 4.553) 10.327 7.990 ( 0.944 0.004 2.048) 2.255 8.748 ( -4.058 -12.055 -2.789) 13.022 9.120 ( -0.547 0.557 1.134) 1.377 9.171 ( 10.834 5.022 1.302) 12.012 9.506 ( -10.669 0.546 -6.381) 12.443 9.626 ( 0.114 8.763 -5.641) 10.422 9.754 ( -1.938 2.911 1.962) 4.010 9.877 ( -9.116 -1.258 2.677) 9.584 10.255 ( 0.623 -1.934 4.931) 5.333 10.374 ( -3.975 0.293 9.926) 10.696 10.668 ( -5.211 4.324 0.604) 6.798 10.806 ( 2.985 -9.357 0.909) 9.864 11.082 ( 2.176 9.151 -6.438) 11.398 11.232 ( -2.036 0.779 -3.309) 3.962 11.329 ( -1.700 0.228 3.575) 3.965 11.724 ( 0.805 -0.211 -7.166) 7.214 11.965 ( 0.499 -10.630 -6.046) 12.239 12.471 ( 9.566 0.041 6.251) 11.427 12.893 ( -4.624 3.854 -5.825) 8.377 12.956 ( 13.351 -2.790 8.740) 16.200 13.713 ( -17.671 7.776 -5.736) 20.141 14.366 ( -6.570 2.414 6.461) 9.526 14.515 ( -4.531 4.441 -6.414) 9.022 14.718 ( 1.425 -11.074 -3.549) 11.715 15.178 ( 5.197 13.799 -9.975) 17.802 15.857 ( -4.361 -9.098 -0.336) 10.095 16.464 ( -1.922 9.873 7.456) 12.521 17.185 ( 10.737 -2.320 -0.878) 11.019 17.447 ( 3.554 -9.277 6.734) 12.002 17.960 ( -1.555 2.216 6.897) 7.409 18.337 ( 6.254 -6.637 2.717) 9.516 19.704 ( -4.446 4.040 -3.836) 7.128 21.590 ( -1.234 0.533 -0.633) 1.486 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 8.934 -10.924 8.141) 16.292 2.418 ( 23.009 -6.678 2.853) 24.128 2.705 ( -1.774 -1.849 3.590) 4.411 3.180 ( -4.450 0.957 -5.588) 7.207 3.224 ( -2.518 0.954 -10.038) 10.393 3.424 ( -4.143 0.075 -4.121) 5.844 3.688 ( -0.390 1.580 10.546) 10.671 3.796 ( 1.183 -1.674 -5.868) 6.216 3.973 ( 11.100 -9.750 3.005) 15.076 4.326 ( 8.843 -0.223 -0.348) 8.853 4.511 ( -0.546 -1.816 -0.655) 2.006 4.746 ( -2.766 12.176 7.197) 14.412 5.021 ( -1.370 2.058 1.034) 2.680 5.207 ( -2.376 -1.514 -4.089) 4.966 5.519 ( 3.654 1.854 -0.972) 4.211 5.789 ( -10.337 -3.147 -2.824) 11.168 5.970 ( -4.707 -2.777 -1.574) 5.687 6.360 ( -11.423 3.447 3.987) 12.580 6.450 ( 6.083 5.139 -4.103) 8.958 6.808 ( 8.517 5.132 5.317) 11.276 7.079 ( -0.118 12.962 -2.430) 13.188 7.284 ( -2.061 -16.541 -4.133) 17.174 7.561 ( 11.532 4.283 -4.958) 13.263 7.686 ( -9.129 -3.669 4.023) 10.630 8.061 ( 2.379 2.593 2.323) 4.216 8.469 ( -6.332 -11.726 -10.930) 17.235 9.131 ( -1.467 3.296 -1.803) 4.033 9.353 ( 4.265 1.827 0.756) 4.701 9.361 ( -3.978 0.731 -0.609) 4.090 9.548 ( -5.962 8.297 -5.148) 11.441 9.771 ( 0.476 -0.420 3.831) 3.883 9.902 ( 0.854 2.057 3.956) 4.540 10.296 ( -6.277 -3.246 9.466) 11.812 10.410 ( -0.377 -0.250 2.236) 2.281 10.605 ( -7.405 -3.468 0.622) 8.201 10.839 ( 5.834 -7.432 2.397) 9.748 11.076 ( -1.938 8.979 -5.961) 10.950 11.205 ( -0.792 5.411 -0.921) 5.546 11.362 ( 2.840 1.084 -0.749) 3.131 11.624 ( 1.283 -2.547 -4.033) 4.940 11.862 ( -2.618 -4.796 1.099) 5.574 12.652 ( 7.580 -1.594 5.700) 9.617 12.760 ( -7.176 1.930 -3.229) 8.102 13.283 ( 12.562 3.558 1.636) 13.158 13.496 ( -10.655 6.608 1.913) 12.682 14.281 ( -9.139 -4.267 -5.722) 11.596 14.378 ( -0.962 8.708 -9.564) 12.970 14.668 ( -1.809 -5.495 4.108) 7.095 15.303 ( 6.414 13.075 0.794) 14.585 15.781 ( 0.259 -4.879 0.435) 4.905 16.467 ( -7.015 -0.991 -3.547) 7.923 17.209 ( 3.491 -5.163 -0.856) 6.291 17.656 ( 10.810 3.762 8.995) 14.557 18.064 ( 0.669 -0.175 5.853) 5.894 18.350 ( -1.205 -14.969 7.082) 16.603 19.594 ( -0.587 3.308 -10.167) 10.708 21.573 ( -1.171 0.918 -0.280) 1.514 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.204 1.787 17.389) 17.482 2.645 ( 9.211 -7.790 -1.482) 12.154 2.696 ( 3.367 -3.468 0.509) 4.861 2.913 ( -2.629 -11.275 -9.859) 15.207 3.094 ( 1.363 2.455 -11.734) 12.065 3.356 ( -5.942 4.162 -3.250) 7.949 3.751 ( 1.885 1.082 -3.102) 3.787 3.847 ( 3.666 -2.116 10.056) 10.911 4.055 ( 7.260 -9.664 3.730) 12.649 4.442 ( -1.858 -1.640 -3.038) 3.921 4.493 ( 5.921 1.862 3.636) 7.194 4.870 ( -6.204 10.071 4.864) 12.790 5.032 ( -2.045 1.436 0.073) 2.500 5.100 ( 0.995 2.069 -6.207) 6.618 5.430 ( -4.760 -0.226 -7.422) 8.820 5.715 ( -0.510 -3.083 2.533) 4.022 5.897 ( 0.769 -2.647 -1.260) 3.030 6.316 ( -9.800 4.669 3.626) 11.445 6.545 ( 8.054 6.688 -1.966) 10.652 6.991 ( 3.847 9.176 -1.277) 10.031 7.009 ( -4.981 -9.109 -3.513) 10.960 7.230 ( 2.995 3.177 3.406) 5.537 7.586 ( -4.814 0.119 -3.269) 5.820 7.660 ( 4.568 -2.313 2.172) 5.562 8.099 ( -3.112 -0.990 1.252) 3.497 8.243 ( 3.542 -1.962 -7.772) 8.763 9.101 ( -2.141 4.075 -2.943) 5.464 9.280 ( -6.648 2.455 -3.264) 7.802 9.337 ( -0.023 3.945 -1.708) 4.299 9.579 ( -0.032 5.183 0.131) 5.185 9.815 ( 0.720 -6.130 3.901) 7.301 9.997 ( 2.550 0.920 4.859) 5.564 10.314 ( -4.529 -6.735 8.100) 11.467 10.449 ( 0.105 -1.275 -4.643) 4.816 10.485 ( -2.822 -0.894 6.913) 7.520 10.890 ( 5.028 -5.068 1.422) 7.279 10.984 ( -5.507 5.836 -7.711) 11.129 11.221 ( -2.240 6.933 -1.981) 7.550 11.423 ( 4.874 1.703 2.164) 5.598 11.621 ( 2.039 -2.430 0.326) 3.189 11.867 ( -1.250 1.246 4.597) 4.924 12.671 ( -4.025 3.198 0.466) 5.162 12.799 ( 4.225 0.076 3.673) 5.598 13.174 ( -4.345 1.324 -10.053) 11.031 13.738 ( 2.278 6.161 14.543) 15.957 14.055 ( -5.308 -2.224 -9.109) 10.775 14.320 ( 4.141 8.242 -8.300) 12.408 14.682 ( -2.277 -0.490 4.524) 5.088 15.515 ( 4.949 7.245 7.564) 11.584 15.782 ( 2.712 0.092 -1.302) 3.010 16.232 ( -9.054 -4.620 -10.405) 14.546 17.206 ( 1.874 -6.722 1.678) 7.177 17.917 ( 6.092 5.077 5.805) 9.828 18.013 ( -1.606 -14.415 -5.432) 15.488 18.397 ( -2.093 -6.210 17.616) 18.796 19.482 ( 2.964 1.718 -12.127) 12.601 21.569 ( -0.681 1.422 0.154) 1.584 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -3.768 6.716 12.017) 14.273 2.422 ( 3.795 -7.739 -12.657) 15.313 2.733 ( 2.915 -10.875 -7.288) 13.412 2.840 ( -3.205 -4.936 10.249) 11.818 2.954 ( 2.765 2.704 -10.165) 10.876 3.308 ( -4.209 5.361 0.126) 6.817 3.721 ( 1.391 -0.041 -5.004) 5.194 3.999 ( 3.156 -4.949 8.795) 10.573 4.156 ( 5.702 -8.087 3.271) 10.422 4.298 ( -0.110 -4.034 -5.990) 7.223 4.554 ( -5.024 4.501 -1.515) 6.914 4.810 ( -4.018 -3.163 -4.300) 6.681 5.037 ( 0.298 5.471 -4.757) 7.257 5.117 ( -0.252 3.142 0.642) 3.217 5.315 ( -2.797 2.725 1.272) 4.107 5.718 ( -0.621 -7.189 5.539) 9.097 5.958 ( 6.020 4.810 1.547) 7.859 6.249 ( -7.169 0.437 -0.499) 7.199 6.699 ( 10.270 7.426 0.409) 12.680 6.848 ( -2.329 -2.263 -5.096) 6.043 7.049 ( 1.014 6.980 -2.591) 7.515 7.295 ( -7.418 -1.330 5.626) 9.405 7.500 ( 0.995 3.940 -7.200) 8.267 7.690 ( 0.947 -5.829 3.178) 6.706 8.101 ( -0.489 2.566 2.701) 3.758 8.256 ( 3.634 3.722 -1.887) 5.533 9.052 ( -0.870 2.511 -3.690) 4.547 9.229 ( -1.380 0.572 0.589) 1.605 9.400 ( 2.751 8.623 2.017) 9.274 9.552 ( -3.107 3.682 -4.424) 6.541 9.812 ( -0.174 -7.926 2.345) 8.267 10.034 ( -0.083 -4.603 -0.584) 4.641 10.309 ( 2.901 -12.280 6.487) 14.188 10.430 ( -5.690 6.220 6.515) 10.654 10.617 ( 2.806 2.792 5.610) 6.866 10.843 ( -6.167 4.019 -4.920) 8.854 10.944 ( 6.546 -2.180 -0.962) 6.966 11.208 ( -2.391 7.725 -2.943) 8.605 11.508 ( 0.525 3.237 -3.441) 4.753 11.641 ( 4.668 -7.631 7.085) 11.412 11.921 ( -1.043 5.133 -0.286) 5.245 12.712 ( -0.132 5.026 1.937) 5.388 12.842 ( -4.219 -0.212 4.570) 6.224 13.060 ( 6.592 1.311 -9.961) 12.016 13.813 ( -9.104 2.916 -1.238) 9.640 13.937 ( -6.640 -1.686 7.036) 9.820 14.464 ( 17.467 12.769 -3.986) 22.001 14.716 ( -0.356 3.827 1.309) 4.060 15.631 ( -7.132 -9.050 5.157) 12.624 15.803 ( 5.849 0.632 -5.426) 8.003 16.020 ( -2.879 8.407 -2.724) 9.294 17.208 ( 3.173 -8.252 2.313) 9.139 17.707 ( -8.288 -22.349 -5.718) 24.512 18.056 ( 1.734 3.541 0.809) 4.025 18.626 ( 0.349 -0.886 19.605) 19.628 19.341 ( 2.562 -1.585 -15.030) 15.329 21.580 ( -0.036 1.706 0.407) 1.754 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 8.811 -14.356 -20.454) 26.497 2.382 ( 1.080 -7.766 -15.428) 17.306 2.706 ( -1.378 6.400 10.841) 12.664 2.881 ( -9.945 7.612 9.726) 15.857 3.033 ( 4.581 -0.076 10.783) 11.716 3.281 ( -6.514 5.481 -1.385) 8.625 3.680 ( 4.605 -1.355 -5.005) 6.935 3.929 ( -5.796 -7.660 -8.247) 12.661 4.113 ( 4.416 -15.293 -7.182) 17.463 4.265 ( -1.010 -0.421 -1.429) 1.799 4.560 ( 5.703 0.483 1.977) 6.055 4.658 ( -6.675 -0.944 0.037) 6.741 4.981 ( -0.847 -0.132 -3.291) 3.401 5.152 ( 2.715 1.360 0.928) 3.175 5.400 ( -5.518 6.184 8.082) 11.576 5.736 ( -1.684 -6.097 6.181) 8.844 6.094 ( -1.422 7.030 -0.270) 7.178 6.193 ( 6.440 -1.073 1.956) 6.816 6.767 ( 0.001 1.410 -4.146) 4.379 6.917 ( 5.442 6.284 5.130) 9.769 7.073 ( 1.566 6.744 -3.548) 7.779 7.213 ( -3.981 1.730 -2.273) 4.900 7.450 ( -0.740 3.505 -4.928) 6.092 7.731 ( 5.015 -7.635 4.325) 10.107 8.113 ( -8.384 4.102 2.565) 9.680 8.308 ( 0.606 5.524 -0.594) 5.589 9.045 ( 2.914 -0.224 -1.039) 3.102 9.248 ( 2.223 0.010 1.339) 2.595 9.473 ( -0.929 3.602 -2.596) 4.536 9.569 ( 1.987 7.042 4.215) 8.444 9.770 ( 1.362 -6.098 -0.588) 6.276 9.982 ( 0.412 -1.950 -1.536) 2.516 10.369 ( -2.004 -9.054 11.256) 14.584 10.532 ( -1.663 5.652 8.542) 10.376 10.631 ( -7.252 3.634 -2.578) 8.512 10.823 ( 3.329 0.217 1.504) 3.660 10.986 ( 3.237 -0.277 -3.790) 4.992 11.223 ( 1.009 8.412 -0.271) 8.477 11.438 ( 0.010 0.573 -4.245) 4.283 11.778 ( 5.486 -5.493 4.827) 9.142 11.873 ( -3.231 6.614 -8.024) 10.889 12.671 ( -3.832 -6.509 -1.018) 7.621 12.906 ( -0.898 7.123 1.245) 7.287 13.065 ( 9.299 -1.304 -4.224) 10.296 13.724 ( -4.674 7.101 -1.213) 8.587 13.974 ( -6.791 -2.304 12.905) 14.764 14.722 ( 11.460 11.785 -2.086) 16.570 14.775 ( 5.807 12.528 -6.177) 15.126 15.397 ( -11.285 -18.100 0.981) 21.352 15.782 ( 4.273 6.387 -9.483) 12.206 16.190 ( 2.500 7.580 11.394) 13.911 17.215 ( 0.681 -4.770 -2.148) 5.275 17.381 ( -2.971 -26.844 0.239) 27.009 18.064 ( -2.752 1.346 -0.525) 3.108 18.843 ( -10.459 -1.211 16.339) 19.437 19.140 ( 8.483 -3.320 -16.278) 18.653 21.600 ( 0.349 1.575 0.345) 1.649 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 14.153 -12.378 -19.897) 27.375 2.114 ( 9.994 -14.125 -19.415) 26.006 2.864 ( -2.474 4.930 9.367) 10.870 2.988 ( -13.957 14.935 15.384) 25.584 3.114 ( -1.675 -1.095 -10.673) 10.858 3.313 ( 2.361 -2.742 14.161) 14.616 3.649 ( 0.013 -7.995 -5.596) 9.759 3.741 ( 9.712 -0.424 -9.427) 13.542 3.840 ( -7.967 -7.987 -5.921) 12.740 4.292 ( 3.075 2.069 -2.353) 4.390 4.536 ( -5.448 0.798 0.989) 5.594 4.759 ( 4.282 -2.747 6.845) 8.529 4.951 ( -0.612 -4.170 4.133) 5.903 5.233 ( 6.769 1.247 -0.475) 6.899 5.408 ( -10.067 1.027 4.061) 10.904 5.751 ( -6.884 -1.283 7.706) 10.413 6.080 ( 3.494 0.284 -1.414) 3.780 6.377 ( 4.108 7.186 4.200) 9.282 6.750 ( 3.682 1.207 -2.965) 4.879 6.917 ( -9.685 -2.057 1.622) 10.033 7.063 ( 2.321 2.766 -6.598) 7.522 7.298 ( 4.921 9.735 -0.819) 10.939 7.438 ( 5.036 6.175 -3.720) 8.793 7.778 ( 1.468 -9.083 3.278) 9.768 8.057 ( -7.298 4.243 2.748) 8.878 8.327 ( -2.091 5.845 0.033) 6.208 9.058 ( 1.383 -4.697 0.716) 4.949 9.323 ( 5.317 0.379 1.417) 5.516 9.513 ( 0.484 7.183 3.222) 7.888 9.623 ( -1.280 -0.506 -0.534) 1.477 9.762 ( 4.070 -4.006 -0.071) 5.711 10.013 ( -0.557 5.987 3.165) 6.795 10.383 ( -11.164 -4.126 7.608) 14.126 10.506 ( -5.211 1.507 -4.571) 7.094 10.668 ( 1.058 -0.313 4.839) 4.963 10.849 ( -1.942 2.413 -1.733) 3.549 10.964 ( 3.749 0.210 1.252) 3.958 11.339 ( 4.030 5.887 1.535) 7.298 11.453 ( 4.940 2.902 -0.635) 5.764 11.657 ( -8.399 4.083 -11.931) 15.151 11.864 ( 5.134 -2.460 -1.861) 5.989 12.550 ( 0.511 -9.624 -4.927) 10.824 12.893 ( -0.608 -4.153 -1.629) 4.502 13.134 ( 4.607 0.075 -0.738) 4.667 13.776 ( -3.807 10.553 5.703) 12.585 14.079 ( -0.268 0.997 10.302) 10.354 14.756 ( -6.558 9.682 -11.999) 16.755 14.875 ( 4.292 8.460 0.783) 9.518 15.276 ( 5.269 -3.978 0.343) 6.611 15.779 ( 7.849 4.247 -7.097) 11.402 16.395 ( -4.497 3.843 12.005) 13.384 16.994 ( -5.606 -14.730 -5.106) 16.567 17.382 ( 9.910 -15.310 7.394) 19.680 18.007 ( -5.379 0.841 -1.009) 5.537 18.616 ( -13.804 -5.494 -12.132) 19.181 19.262 ( 9.063 1.315 9.782) 13.400 21.617 ( 0.221 1.144 0.001) 1.165 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 23.203 -9.979 10.334) 27.290 1.742 ( 28.987 -2.636 5.733) 29.665 2.752 ( 9.055 -5.959 12.937) 16.878 3.074 ( 8.989 -3.174 -4.290) 10.454 3.374 ( -4.512 6.379 -1.406) 7.939 3.539 ( 2.297 -1.630 0.913) 2.960 3.582 ( -3.374 -4.090 -7.355) 9.067 3.770 ( -5.367 2.369 -10.167) 11.738 3.921 ( -6.209 -7.501 -1.005) 9.789 4.168 ( 1.672 0.312 5.021) 5.302 4.577 ( -4.717 -3.507 0.090) 5.878 4.770 ( 0.581 11.035 1.266) 11.122 4.983 ( 4.361 1.276 -0.036) 4.544 5.260 ( 2.490 -1.468 -4.004) 4.938 5.398 ( 2.731 -0.564 4.498) 5.293 5.961 ( -1.025 1.081 -1.947) 2.452 6.243 ( -12.533 -6.093 -3.931) 14.479 6.379 ( -5.163 7.618 -5.188) 10.565 6.623 ( 5.288 0.998 2.461) 5.917 6.701 ( -10.709 3.296 5.932) 12.678 6.965 ( 5.476 -0.721 5.445) 7.756 7.253 ( 5.834 14.248 -9.135) 17.902 7.417 ( -3.990 -9.297 -1.290) 10.199 7.823 ( 5.234 -0.770 1.523) 5.505 8.093 ( -10.229 0.886 1.979) 10.456 8.611 ( -2.958 -13.338 -8.791) 16.246 9.065 ( 12.845 3.742 1.218) 13.435 9.180 ( -0.673 2.654 4.147) 4.969 9.532 ( -6.021 7.176 -9.125) 13.077 9.639 ( -0.561 -1.355 2.433) 2.841 9.854 ( -8.302 7.236 -4.550) 11.916 10.004 ( -7.866 0.521 -0.569) 7.904 10.317 ( 2.561 1.254 8.171) 8.655 10.510 ( -3.514 -4.767 5.460) 8.055 10.749 ( 1.153 -4.765 6.616) 8.235 10.839 ( -10.525 -0.494 -0.754) 10.564 11.019 ( 4.192 10.278 -5.469) 12.374 11.223 ( -1.026 2.289 -0.635) 2.588 11.386 ( -2.636 3.706 -4.557) 6.438 11.576 ( 1.095 -7.638 -0.898) 7.768 11.856 ( 4.316 -4.802 0.002) 6.456 12.442 ( 8.064 -5.731 8.353) 12.948 12.798 ( 16.713 5.337 3.263) 17.845 13.019 ( -6.965 1.782 1.767) 7.403 13.924 ( -20.052 6.819 -7.663) 22.524 14.461 ( -5.518 3.219 -4.399) 7.757 14.508 ( -4.498 -7.088 -6.447) 10.585 14.736 ( -7.259 -0.563 8.858) 11.467 15.094 ( 9.670 14.569 -1.183) 17.526 15.787 ( -0.057 -9.870 -3.366) 10.428 16.620 ( -4.337 8.064 -1.722) 9.316 17.007 ( 11.986 -5.375 1.521) 13.224 17.374 ( 11.046 -4.203 4.182) 12.537 18.059 ( -0.470 0.879 1.032) 1.435 18.341 ( 1.406 -7.394 13.895) 15.803 19.647 ( -3.142 0.086 -14.335) 14.676 21.606 ( -1.256 0.660 -0.136) 1.425 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 16.772 -0.980 18.780) 25.198 2.159 ( 22.046 -1.462 8.739) 23.759 2.811 ( -6.193 0.149 3.934) 7.339 3.057 ( -12.457 -5.695 -19.509) 23.837 3.114 ( 1.225 -0.975 -5.787) 5.994 3.518 ( -6.057 4.176 -5.173) 8.994 3.618 ( 6.154 3.365 -4.704) 8.445 3.760 ( 15.811 -8.675 7.760) 19.633 3.852 ( -0.723 -8.360 8.619) 12.029 4.264 ( 6.380 1.918 3.630) 7.587 4.506 ( -3.244 -2.650 0.325) 4.201 4.862 ( 3.886 7.276 -2.242) 8.548 5.055 ( 3.098 5.011 -2.625) 6.450 5.190 ( -4.538 -2.386 -0.614) 5.163 5.461 ( 1.186 -0.668 -2.864) 3.171 5.819 ( -7.872 -7.294 -4.873) 11.786 6.022 ( -8.215 1.570 -2.309) 8.676 6.358 ( 3.279 5.654 -2.758) 7.094 6.658 ( -12.117 6.913 4.301) 14.598 6.800 ( 5.484 1.546 7.540) 9.451 7.097 ( 4.381 -8.410 1.994) 9.690 7.185 ( -5.923 7.088 -6.049) 11.042 7.410 ( 9.724 5.666 -0.509) 11.266 7.849 ( -7.189 -5.138 3.969) 9.687 8.056 ( 3.412 5.453 -2.710) 6.980 8.317 ( -7.674 -9.428 -9.086) 15.177 9.129 ( 1.660 1.949 -2.549) 3.613 9.329 ( 3.275 3.467 0.502) 4.796 9.426 ( -4.634 4.046 -0.349) 6.162 9.609 ( -4.093 3.281 -2.591) 5.851 9.800 ( 1.344 -0.111 1.311) 1.881 9.965 ( -2.294 2.779 0.802) 3.692 10.410 ( -0.993 0.430 3.046) 3.232 10.460 ( -5.409 -11.334 2.434) 12.792 10.677 ( -7.766 1.208 -1.181) 7.948 10.800 ( 1.418 -7.610 6.112) 9.863 11.037 ( 1.648 6.899 -9.326) 11.717 11.257 ( -1.250 8.632 -1.280) 8.815 11.374 ( -0.541 4.199 4.117) 5.905 11.553 ( 1.370 -6.338 2.802) 7.064 11.880 ( 1.418 -0.510 1.858) 2.392 12.613 ( 8.636 -4.164 6.760) 11.731 12.853 ( -7.690 3.557 -1.619) 8.626 13.175 ( 10.360 3.962 0.655) 11.111 13.682 ( -8.542 6.320 -1.204) 10.693 14.202 ( -5.314 -6.550 -10.212) 13.245 14.454 ( -10.436 7.811 1.598) 13.132 14.761 ( -4.070 1.731 4.063) 6.006 15.323 ( 8.689 4.869 5.658) 11.455 15.723 ( 1.758 -0.257 -1.468) 2.304 16.468 ( -8.195 -1.233 -9.729) 12.780 17.112 ( 6.599 -7.076 2.457) 9.982 17.614 ( 15.277 4.516 3.161) 16.241 18.037 ( -0.014 -6.165 -1.956) 6.468 18.471 ( -2.792 -12.355 17.528) 21.626 19.431 ( 0.981 3.090 -15.514) 15.849 21.595 ( -1.239 1.019 0.087) 1.606 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 9.766 4.347 16.110) 19.334 2.393 ( 1.538 -4.482 -7.427) 8.810 2.637 ( -1.660 -5.514 -1.666) 5.995 2.795 ( 1.170 -2.977 -7.060) 7.751 3.012 ( -4.724 0.050 0.394) 4.741 3.361 ( 0.585 3.407 -10.566) 11.117 3.713 ( -0.582 3.721 2.026) 4.277 3.848 ( 7.256 -5.686 1.635) 9.362 4.028 ( 3.711 -7.642 14.594) 16.886 4.381 ( -1.971 -4.732 -5.993) 7.886 4.540 ( 6.801 4.632 9.682) 12.706 4.892 ( 2.336 4.443 -11.460) 12.511 4.983 ( 0.288 -4.697 -3.312) 5.754 5.173 ( -4.320 4.805 3.846) 7.519 5.317 ( 0.465 -2.154 -11.232) 11.446 5.713 ( 0.093 -7.678 1.121) 7.759 5.949 ( -6.953 5.470 3.173) 9.399 6.443 ( 5.855 4.717 -0.681) 7.549 6.585 ( -12.198 4.401 1.727) 13.082 6.889 ( -0.314 -10.679 -2.269) 10.922 6.977 ( 1.518 5.791 -2.073) 6.336 7.280 ( 3.435 8.781 1.727) 9.586 7.583 ( 2.107 7.740 -1.339) 8.133 7.744 ( -5.748 -5.733 6.077) 10.141 8.034 ( 2.886 -3.567 -8.131) 9.336 8.200 ( -0.852 4.080 4.460) 6.104 9.111 ( -1.309 1.392 -2.527) 3.168 9.337 ( -4.867 2.218 -3.856) 6.593 9.357 ( -1.055 4.785 -0.223) 4.905 9.612 ( -1.372 4.386 -1.586) 4.861 9.835 ( -0.434 -3.440 4.076) 5.351 10.015 ( 3.445 -0.269 2.769) 4.428 10.259 ( -2.922 -13.268 -4.346) 14.264 10.444 ( 1.031 1.729 1.581) 2.560 10.662 ( -3.270 5.885 1.781) 6.965 10.838 ( 1.209 -7.374 5.088) 9.040 10.962 ( -2.272 3.801 -4.917) 6.618 11.261 ( -2.174 7.772 -2.971) 8.600 11.483 ( 0.314 5.719 3.533) 6.730 11.577 ( 2.000 -6.898 4.298) 8.370 11.939 ( 0.442 3.142 2.586) 4.093 12.757 ( 7.603 -1.848 1.828) 8.036 12.780 ( -5.935 4.299 0.791) 7.371 13.100 ( -5.873 -3.095 -8.298) 10.627 13.880 ( 14.307 10.253 7.347) 19.073 13.990 ( -5.332 2.241 -8.679) 10.430 14.387 ( -14.131 1.528 7.176) 15.922 14.765 ( -3.358 4.167 0.426) 5.369 15.494 ( 10.149 -6.483 1.547) 12.142 15.790 ( -0.212 11.082 2.916) 11.461 16.205 ( -8.946 -1.743 -8.832) 12.692 17.136 ( 2.985 -10.096 1.981) 10.713 17.780 ( 8.209 -8.555 -8.417) 14.541 17.962 ( 0.888 -1.659 2.999) 3.540 18.580 ( 0.760 -8.834 13.121) 15.836 19.314 ( 0.862 3.299 -8.140) 8.825 21.593 ( -0.876 1.406 0.263) 1.677 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -2.835 -13.010 -24.067) 27.504 2.415 ( -3.012 -13.755 -19.379) 23.954 2.661 ( 4.744 10.358 14.718) 18.612 2.906 ( 5.726 2.564 10.197) 11.973 3.065 ( -4.896 5.592 12.940) 14.923 3.320 ( 5.562 3.358 -6.608) 9.267 3.688 ( -4.101 -1.470 -0.186) 4.361 3.922 ( 4.830 -8.993 -5.197) 11.455 4.120 ( -6.727 -8.202 -3.467) 11.160 4.228 ( 4.850 -4.276 9.108) 11.170 4.560 ( -5.418 -0.295 -9.985) 11.365 4.810 ( -2.829 3.399 0.904) 4.514 4.973 ( 2.702 1.879 -5.349) 6.280 5.177 ( -4.424 1.876 -3.393) 5.882 5.317 ( 10.695 1.602 4.839) 11.848 5.689 ( 3.310 -10.340 3.056) 11.279 6.020 ( -0.829 5.869 7.378) 9.464 6.408 ( -14.121 2.123 1.413) 14.350 6.617 ( 10.394 5.720 -0.845) 11.894 6.800 ( -0.016 2.468 -3.592) 4.358 7.009 ( 1.401 2.332 -2.706) 3.837 7.394 ( 1.878 -2.012 3.555) 4.496 7.456 ( -6.374 10.233 -11.285) 16.513 7.740 ( -5.330 -3.670 2.259) 6.854 8.141 ( 9.585 3.692 8.677) 13.446 8.286 ( -1.006 2.987 4.541) 5.527 9.043 ( -3.336 0.331 -3.415) 4.785 9.251 ( -2.246 -2.036 -0.762) 3.126 9.409 ( 2.485 3.976 -2.139) 5.154 9.594 ( -2.329 9.295 -0.522) 9.597 9.827 ( -4.183 -4.845 3.212) 7.162 10.006 ( -2.519 -2.797 -2.044) 4.283 10.232 ( 9.157 -9.410 6.300) 14.563 10.531 ( 3.044 5.554 1.926) 6.620 10.674 ( 6.293 3.423 -7.043) 10.046 10.861 ( -2.368 -4.209 5.586) 7.385 10.933 ( -6.003 4.395 3.646) 8.286 11.245 ( -1.990 7.473 -3.534) 8.503 11.486 ( -1.910 3.378 -5.954) 7.107 11.653 ( 3.055 -6.895 9.168) 11.871 11.962 ( -2.992 4.335 -1.939) 5.613 12.765 ( -2.258 -1.339 -0.691) 2.714 12.806 ( 7.637 -1.287 -10.780) 13.274 12.948 ( -2.629 -1.209 3.580) 4.603 13.868 ( -5.234 8.848 -4.073) 11.057 14.246 ( 8.317 10.901 9.221) 16.523 14.335 ( -6.803 -1.131 7.640) 10.293 14.751 ( -1.620 5.925 -3.058) 6.862 15.499 ( 4.128 -7.794 -7.588) 11.634 15.835 ( -6.196 -0.442 1.163) 6.320 16.128 ( 0.230 11.335 4.072) 12.047 17.115 ( 3.391 -11.737 1.667) 12.330 17.539 ( -4.313 -21.501 -7.724) 23.250 18.054 ( 3.585 4.741 -0.878) 6.009 18.719 ( 11.147 -4.864 2.677) 12.453 19.245 ( -8.232 -0.494 2.574) 8.639 21.600 ( -0.360 1.588 0.299) 1.655 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 6.466 -16.999 -22.456) 28.898 1.975 ( -0.192 -16.395 -24.339) 29.347 2.896 ( 0.467 6.666 6.822) 9.550 3.111 ( -0.442 2.720 5.627) 6.265 3.241 ( 4.261 -7.613 -6.524) 10.894 3.318 ( -5.351 11.002 11.777) 16.982 3.605 ( -0.826 -11.280 -8.651) 14.240 3.632 ( -1.494 -3.513 0.324) 3.831 4.043 ( -6.001 -5.746 -2.082) 8.565 4.310 ( -2.730 4.196 2.176) 5.459 4.540 ( 7.372 1.759 4.996) 9.077 4.760 ( -6.994 5.549 -2.406) 9.247 4.940 ( 0.172 -0.722 -2.555) 2.661 5.107 ( 2.068 -4.412 -1.233) 5.026 5.491 ( 3.497 0.843 1.076) 3.755 5.746 ( 5.341 -7.827 6.919) 11.733 6.190 ( 5.997 3.988 7.325) 10.273 6.288 ( -14.795 2.408 6.506) 16.341 6.699 ( 2.023 2.340 -5.138) 5.997 6.914 ( 9.691 11.329 -1.934) 15.034 6.998 ( 5.540 5.557 -2.566) 8.256 7.223 ( -8.355 -2.639 -6.829) 11.109 7.495 ( 0.485 9.824 -2.625) 10.181 7.688 ( -1.226 -5.969 3.287) 6.924 8.273 ( -6.840 2.894 2.408) 7.808 8.410 ( 0.480 2.005 9.761) 9.976 8.975 ( 2.400 -2.519 -3.521) 4.950 9.229 ( 1.606 -1.805 0.080) 2.417 9.418 ( 3.351 3.289 -2.250) 5.207 9.689 ( -1.808 8.082 3.860) 9.137 9.774 ( -4.381 -3.403 3.406) 6.510 9.986 ( 1.060 5.405 1.114) 5.620 10.383 ( 7.059 -9.943 7.332) 14.228 10.588 ( 2.330 6.176 -3.350) 7.402 10.745 ( 10.076 1.140 -1.693) 10.280 10.857 ( -8.954 0.280 6.512) 11.075 10.932 ( -4.470 3.055 0.464) 5.434 11.243 ( 1.580 7.082 -2.534) 7.686 11.401 ( -1.318 4.074 -5.031) 6.606 11.749 ( 3.824 -7.078 4.630) 9.282 11.863 ( -7.076 4.455 -8.003) 11.574 12.618 ( -4.514 -10.140 -5.424) 12.354 12.731 ( 10.451 -6.318 -11.250) 16.604 13.053 ( 1.212 5.444 4.572) 7.212 13.904 ( -4.436 16.756 4.963) 18.029 14.285 ( -14.577 -7.963 16.364) 23.316 14.587 ( 15.537 16.664 -3.772) 23.093 14.748 ( 2.661 6.905 -4.057) 8.440 15.317 ( -3.096 -7.190 -8.782) 11.765 15.759 ( -5.252 -0.542 -0.797) 5.339 16.354 ( 4.779 8.467 10.818) 14.545 17.097 ( 3.532 -7.156 -4.225) 9.030 17.228 ( -3.714 -26.517 -0.044) 26.775 18.082 ( -0.032 3.220 -2.007) 3.794 18.769 ( 10.441 -4.571 -15.668) 19.375 19.216 ( -12.345 -2.902 18.827) 22.700 21.613 ( 0.007 1.437 0.193) 1.450 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 14.475 -16.121 -20.503) 29.829 1.583 ( 10.273 -19.896 -21.103) 30.769 2.646 ( 5.098 -35.209 -29.314) 46.097 3.032 ( -3.548 9.101 4.707) 10.843 3.402 ( -0.038 5.221 15.092) 15.970 3.431 ( -4.002 1.365 3.273) 5.347 3.606 ( 0.062 5.572 1.575) 5.790 3.700 ( 0.261 6.461 9.825) 11.762 3.885 ( -6.629 -4.698 0.483) 8.140 4.316 ( -5.299 9.691 -2.633) 11.354 4.628 ( -7.925 3.201 -1.366) 8.656 4.751 ( 6.340 -1.181 4.075) 7.629 4.952 ( 4.899 -1.690 1.646) 5.438 5.133 ( 6.399 -6.146 2.149) 9.129 5.438 ( -2.568 -3.110 -5.863) 7.116 5.874 ( 5.097 -3.083 7.066) 9.242 6.211 ( -14.352 1.080 9.300) 17.136 6.441 ( 8.085 4.615 8.788) 12.803 6.644 ( 1.383 2.801 -8.015) 8.602 6.882 ( 2.494 -0.310 -8.972) 9.317 7.017 ( -7.188 -2.088 -6.143) 9.683 7.307 ( 12.695 15.442 4.686) 20.533 7.482 ( -5.948 11.343 -4.312) 13.515 7.706 ( 3.138 -8.711 2.810) 9.675 8.212 ( -7.100 4.558 1.422) 8.557 8.455 ( -7.765 -1.983 5.313) 9.616 8.958 ( 6.699 -8.501 -3.397) 11.344 9.259 ( 3.121 2.937 -1.301) 4.479 9.542 ( 6.958 6.184 5.353) 10.739 9.661 ( -4.027 -1.438 -2.025) 4.731 9.836 ( -4.418 2.121 11.493) 12.494 10.121 ( 2.154 12.901 3.119) 13.446 10.410 ( 3.182 -4.512 -3.369) 6.468 10.544 ( -8.041 -1.132 -4.964) 9.517 10.770 ( -6.737 -3.987 0.269) 7.833 10.874 ( -1.522 7.379 3.669) 8.380 10.971 ( 6.140 0.936 6.116) 8.716 11.334 ( 5.433 6.284 -0.741) 8.340 11.397 ( 3.076 6.760 -3.754) 8.322 11.651 ( -9.525 3.371 -9.912) 14.154 11.757 ( 3.646 -7.129 -1.398) 8.128 12.392 ( -3.793 -12.282 -7.796) 15.034 12.677 ( 11.211 -13.442 -6.955) 18.834 13.135 ( -0.476 6.422 0.683) 6.476 14.088 ( -6.721 18.617 10.690) 22.495 14.269 ( -8.601 -6.397 11.802) 15.943 14.719 ( 2.568 13.906 -9.770) 17.188 14.881 ( 7.223 8.365 2.219) 11.272 15.165 ( 3.840 0.014 -7.142) 8.109 15.682 ( -1.486 -2.581 -0.789) 3.081 16.612 ( 1.568 4.400 11.513) 12.425 16.853 ( -4.636 -18.401 -6.705) 20.126 17.208 ( 10.436 -12.333 2.748) 16.388 18.064 ( -2.733 1.645 -0.070) 3.190 18.495 ( -7.289 -5.712 -17.866) 20.124 19.412 ( 1.215 -1.350 20.594) 20.674 21.624 ( -0.025 1.053 -0.008) 1.053 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.000 -0.000 23.545) 23.545 2.471 ( 0.000 -0.000 23.545) 23.545 2.730 ( -0.000 0.000 -7.184) 7.184 3.141 ( -0.000 0.000 -9.189) 9.189 3.289 ( 0.000 -0.000 1.783) 1.783 3.289 ( 0.000 0.000 1.783) 1.783 3.622 ( -0.000 0.000 -11.399) 11.399 3.622 ( -0.000 0.000 -11.399) 11.399 4.243 ( 0.000 -0.000 12.013) 12.013 4.355 ( 0.000 -0.000 4.308) 4.308 4.355 ( 0.000 -0.000 4.308) 4.308 4.873 ( -0.000 0.000 -6.077) 6.077 5.148 ( 0.000 -0.000 1.116) 1.116 5.148 ( 0.000 0.000 1.116) 1.116 5.463 ( 0.000 -0.000 14.348) 14.348 5.772 ( 0.000 -0.000 14.968) 14.968 5.809 ( -0.000 0.000 -8.003) 8.003 5.809 ( -0.000 0.000 -8.003) 8.003 6.742 ( -0.000 0.000 -13.221) 13.221 6.742 ( -0.000 0.000 -13.221) 13.221 7.023 ( -0.000 0.000 -8.389) 8.389 7.521 ( 0.000 -0.000 14.406) 14.406 7.715 ( 0.000 -0.000 -2.224) 2.224 7.715 ( 0.000 0.000 -2.224) 2.224 8.624 ( 0.000 -0.000 8.083) 8.083 8.624 ( 0.000 -0.000 8.083) 8.083 9.051 ( -0.000 0.000 -6.548) 6.548 9.271 ( 0.000 -0.000 3.032) 3.032 9.356 ( -0.000 0.000 -5.915) 5.915 9.356 ( -0.000 0.000 -5.915) 5.915 9.612 ( 0.000 -0.000 1.920) 1.920 9.612 ( 0.000 -0.000 1.920) 1.920 10.464 ( -0.000 0.000 -6.194) 6.194 10.486 ( 0.000 0.000 -3.025) 3.025 10.486 ( 0.000 0.000 -3.025) 3.025 10.851 ( -0.000 0.000 -5.999) 5.999 11.106 ( -0.000 -0.000 -0.005) 0.005 11.106 ( 0.000 0.000 -0.005) 0.005 11.672 ( -0.000 0.000 -4.021) 4.021 11.672 ( -0.000 0.000 -4.021) 4.021 12.474 ( 0.000 -0.000 5.700) 5.700 12.832 ( -0.000 0.000 -14.470) 14.470 12.832 ( 0.000 -0.000 4.385) 4.385 12.832 ( 0.000 0.000 6.350) 6.350 13.215 ( -0.000 0.000 -2.830) 2.830 14.371 ( -0.000 0.000 -5.721) 5.721 14.371 ( 0.000 0.000 -5.721) 5.721 15.313 ( -0.000 0.000 -12.960) 12.960 15.313 ( -0.000 0.000 -12.960) 12.960 15.379 ( 0.000 -0.000 6.637) 6.637 16.008 ( 0.000 -0.000 15.814) 15.814 17.251 ( 0.000 -0.000 14.352) 14.352 17.251 ( 0.000 -0.000 14.352) 14.352 18.180 ( -0.000 0.000 -21.076) 21.076 18.958 ( 0.000 -0.000 10.209) 10.209 18.958 ( 0.000 0.000 10.209) 10.209 21.596 ( -0.000 0.000 -1.760) 1.760 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -7.666 -3.551 -7.927) 11.585 2.712 ( 0.927 -5.662 10.342) 11.827 2.799 ( 1.470 6.095 15.399) 16.627 2.957 ( -8.197 -6.637 0.015) 10.547 3.173 ( -6.297 -0.217 2.269) 6.697 3.338 ( -6.017 -5.543 -5.951) 10.117 3.555 ( 11.390 7.899 4.979) 14.728 3.678 ( 10.119 4.542 -3.038) 11.500 4.217 ( -4.942 -4.814 -4.154) 8.053 4.369 ( -2.215 -3.419 5.245) 6.641 4.416 ( -3.281 2.488 0.519) 4.150 4.807 ( -1.933 -0.618 -3.483) 4.031 5.115 ( -1.196 1.567 -1.676) 2.588 5.210 ( 2.510 -0.069 0.818) 2.641 5.546 ( -10.101 -2.256 1.823) 10.509 5.711 ( -2.425 1.103 9.246) 9.622 5.785 ( 11.380 -3.975 -0.850) 12.085 6.129 ( 10.489 10.370 9.218) 17.393 6.538 ( 2.999 0.244 -12.510) 12.867 6.639 ( 4.301 4.740 -13.653) 15.079 6.876 ( -5.109 -5.015 -4.783) 8.610 7.610 ( 0.850 -8.881 0.641) 8.945 7.663 ( -6.738 8.395 3.513) 11.323 7.778 ( 3.684 -1.195 1.856) 4.294 8.413 ( -20.480 -5.758 -2.124) 21.379 8.765 ( 7.543 -4.625 0.239) 8.851 9.045 ( 4.748 5.872 -4.591) 8.838 9.238 ( -3.510 -2.464 0.649) 4.338 9.354 ( 0.837 5.577 -0.234) 5.644 9.399 ( 7.072 -1.096 0.253) 7.161 9.664 ( 0.699 3.303 3.199) 4.651 9.687 ( 3.548 0.401 4.879) 6.046 10.369 ( -4.581 -2.541 -1.426) 5.429 10.395 ( -0.394 -0.279 -3.295) 3.330 10.477 ( -2.247 3.330 -1.230) 4.201 10.809 ( 6.265 -2.213 -5.835) 8.843 11.103 ( -0.830 1.108 -2.797) 3.121 11.111 ( 2.381 -0.158 -0.136) 2.390 11.538 ( -8.924 -2.639 -1.010) 9.361 11.679 ( 2.623 1.077 0.924) 2.983 12.353 ( -2.321 -2.765 -18.476) 18.826 12.697 ( 1.096 -5.244 -1.896) 5.683 12.738 ( -6.238 1.931 0.267) 6.535 13.040 ( 5.105 2.624 6.298) 8.521 13.326 ( 6.124 5.371 2.652) 8.567 14.220 ( -3.270 -0.969 -1.516) 3.733 14.383 ( 5.200 1.546 -8.491) 10.076 15.078 ( 0.306 -12.424 -7.955) 14.756 15.162 ( -6.765 11.335 -9.196) 16.087 15.562 ( 11.285 2.671 2.066) 11.779 16.234 ( 0.123 0.885 14.968) 14.995 17.378 ( -2.856 -9.272 12.374) 15.724 17.475 ( -2.050 7.252 15.198) 16.964 17.926 ( 1.968 1.641 -17.305) 17.494 18.820 ( -14.946 -9.403 6.140) 18.695 19.297 ( 12.124 6.664 6.678) 15.362 21.573 ( 0.328 0.195 -1.806) 1.846 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -16.420 -6.344 -6.129) 18.640 2.530 ( -10.322 -19.694 -5.686) 22.951 2.859 ( -9.026 2.592 2.481) 9.713 3.052 ( 4.027 2.518 6.149) 7.770 3.189 ( -1.096 5.367 3.570) 6.538 3.348 ( 4.919 -4.566 11.381) 13.213 3.758 ( -1.188 10.440 -0.962) 10.551 3.791 ( 6.613 2.325 -0.804) 7.056 4.127 ( 3.136 -6.863 3.528) 8.330 4.324 ( -7.577 -1.087 -0.403) 7.665 4.358 ( -2.615 -6.367 2.220) 7.232 4.718 ( -5.722 4.407 -3.544) 8.045 5.036 ( 1.979 -2.898 -9.643) 10.262 5.281 ( -0.322 5.812 5.205) 7.809 5.450 ( -1.765 -4.370 -1.496) 4.945 5.779 ( 5.527 1.218 0.015) 5.660 5.956 ( 5.527 0.862 5.316) 7.717 6.331 ( 3.441 6.417 0.182) 7.284 6.521 ( -2.649 5.381 -9.636) 11.350 6.582 ( 11.307 4.586 -2.206) 12.399 6.759 ( 2.155 -7.783 -0.814) 8.117 7.491 ( -3.668 -14.121 -4.964) 15.411 7.676 ( -2.272 11.741 -1.414) 12.042 7.818 ( -4.880 -3.821 7.070) 9.402 8.135 ( -12.289 0.095 -2.290) 12.501 8.784 ( 7.972 -3.262 -6.799) 10.974 9.075 ( 3.614 4.689 -5.351) 7.980 9.210 ( -3.431 -4.906 5.466) 8.107 9.363 ( 2.037 -0.230 -4.398) 4.852 9.449 ( 4.305 3.096 -4.557) 6.992 9.762 ( 0.167 6.228 4.745) 7.832 9.817 ( 2.066 0.977 7.009) 7.372 10.321 ( -2.379 -2.407 3.217) 4.669 10.379 ( -1.924 4.817 1.455) 5.388 10.503 ( 2.789 0.662 3.579) 4.585 10.806 ( 10.532 -6.416 -6.205) 13.805 11.027 ( -4.743 -0.501 -2.630) 5.447 11.148 ( 3.333 2.929 -1.854) 4.809 11.438 ( -6.607 -0.030 2.510) 7.068 11.740 ( -0.440 2.045 0.866) 2.264 12.078 ( 2.077 -1.275 -15.651) 15.840 12.589 ( -7.975 -7.337 3.117) 11.276 12.733 ( 5.436 2.029 -5.676) 8.117 13.221 ( -0.924 1.985 11.973) 12.172 13.382 ( 3.081 4.041 -6.616) 8.343 14.210 ( 5.515 -1.789 -5.058) 7.695 14.374 ( 4.544 7.368 -1.780) 8.837 14.912 ( -0.473 -12.472 -3.740) 13.029 15.070 ( -4.135 11.913 -7.362) 14.602 15.744 ( 10.747 1.673 1.456) 10.974 16.391 ( -1.952 -1.164 9.432) 9.702 17.337 ( -5.297 -9.626 1.384) 11.074 17.672 ( -6.558 10.005 7.828) 14.296 17.868 ( 5.235 -0.632 3.967) 6.599 18.628 ( -13.372 -10.537 4.087) 17.509 19.520 ( 8.372 5.158 0.331) 9.839 21.562 ( 0.971 0.557 -1.399) 1.791 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -20.182 -14.121 2.055) 24.717 2.171 ( -16.198 -17.497 0.923) 23.862 2.833 ( -3.882 2.595 3.888) 6.077 3.127 ( 5.428 4.570 -5.619) 9.051 3.262 ( -1.782 0.560 3.140) 3.653 3.514 ( 7.722 -3.973 1.657) 8.841 3.679 ( -7.216 9.125 -6.214) 13.189 3.853 ( -4.046 1.451 2.969) 5.224 4.121 ( -9.442 -5.495 4.918) 11.980 4.230 ( -5.398 -2.342 2.891) 6.556 4.439 ( 8.291 -2.372 7.992) 11.757 4.642 ( -1.159 3.621 -5.142) 6.395 4.930 ( 4.990 -3.220 -7.792) 9.797 5.356 ( -2.840 -2.376 -4.076) 5.507 5.396 ( 0.716 4.077 4.007) 5.761 5.883 ( 7.671 1.029 0.320) 7.747 6.055 ( 7.416 2.574 -3.088) 8.436 6.335 ( -3.330 2.261 -5.620) 6.913 6.515 ( 4.287 12.425 1.927) 13.284 6.687 ( 0.451 -0.564 3.242) 3.321 6.778 ( 11.471 -6.779 -3.257) 13.717 7.246 ( -6.497 -14.306 -2.910) 15.980 7.657 ( -9.439 6.516 -2.434) 11.725 7.848 ( 0.765 -2.705 3.433) 4.438 8.055 ( -3.026 8.334 1.193) 8.946 8.728 ( 4.606 0.302 -12.789) 13.596 9.048 ( 1.870 -2.346 -4.551) 5.450 9.223 ( -4.090 -3.729 8.072) 9.788 9.332 ( 5.224 -1.205 -4.502) 7.000 9.474 ( 7.031 5.357 -5.924) 10.641 9.849 ( -3.429 5.063 3.515) 7.053 9.912 ( 1.100 2.597 2.769) 3.952 10.335 ( -0.920 -2.963 4.781) 5.699 10.460 ( 3.261 4.134 3.590) 6.373 10.657 ( 6.741 -3.417 9.573) 12.197 10.804 ( 9.692 -5.455 -6.371) 12.817 10.932 ( -6.620 0.963 0.077) 6.690 11.174 ( 2.310 3.299 -3.672) 5.450 11.394 ( -4.092 2.846 -2.823) 5.728 11.694 ( -2.961 1.417 -1.013) 3.436 11.998 ( -0.512 2.439 -3.425) 4.236 12.519 ( -2.713 -10.372 7.320) 12.982 12.755 ( 6.673 2.596 -4.984) 8.724 13.190 ( -15.491 -3.403 4.548) 16.499 13.500 ( 15.833 8.746 -3.528) 18.429 14.192 ( 9.166 -1.106 -6.597) 11.347 14.535 ( 5.945 15.807 -2.495) 17.071 14.778 ( -2.108 -9.368 -1.760) 9.762 15.033 ( -3.998 2.947 2.695) 5.651 15.873 ( 4.433 2.001 -0.111) 4.865 16.417 ( 2.022 -4.089 -1.698) 4.867 17.218 ( -5.886 -5.171 1.046) 7.904 17.669 ( -11.136 1.384 4.603) 12.129 18.033 ( 1.579 -0.658 7.528) 7.720 18.499 ( -6.585 -8.896 9.310) 14.462 19.585 ( 3.508 5.721 -8.061) 10.489 21.569 ( 1.552 0.850 -0.746) 1.920 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -18.402 -19.912 11.351) 29.393 1.960 ( -17.282 -10.748 15.654) 25.676 2.882 ( 3.654 3.197 -1.419) 5.058 3.120 ( 0.638 5.636 -5.896) 8.181 3.245 ( -0.945 -4.448 1.804) 4.892 3.459 ( 3.028 -2.762 -13.885) 14.477 3.623 ( -3.917 8.302 -1.826) 9.360 3.763 ( -15.239 -7.732 6.666) 18.342 4.073 ( -7.862 3.253 5.605) 10.189 4.239 ( -0.396 2.729 2.953) 4.041 4.609 ( 2.630 2.249 -4.604) 5.760 4.611 ( 7.272 -2.424 3.413) 8.391 4.910 ( 4.033 -2.662 -0.810) 4.900 5.222 ( -3.976 -4.919 -4.318) 7.658 5.470 ( 0.792 2.316 1.471) 2.855 5.903 ( -0.494 -4.764 -3.603) 5.993 6.147 ( 13.046 3.186 -6.178) 14.782 6.289 ( -1.747 11.991 -3.816) 12.705 6.688 ( -2.093 2.284 1.470) 3.429 6.722 ( 8.695 -1.330 4.076) 9.694 6.855 ( 11.752 -4.085 0.665) 12.460 7.128 ( -2.709 -4.079 6.580) 8.202 7.521 ( -8.287 4.021 -4.573) 10.284 7.805 ( -2.101 -6.888 -1.390) 7.334 8.184 ( 1.587 13.032 2.722) 13.407 8.568 ( 0.417 1.962 -15.455) 15.585 8.995 ( 0.320 -5.866 -0.332) 5.884 9.249 ( -3.811 -3.246 5.625) 7.530 9.351 ( 5.584 0.885 -2.509) 6.186 9.569 ( 12.158 5.055 -4.093) 13.789 9.843 ( -5.325 2.318 0.665) 5.846 9.958 ( 1.809 1.915 -1.231) 2.908 10.396 ( 1.109 -1.471 6.716) 6.964 10.573 ( 3.251 -2.192 2.075) 4.436 10.714 ( 9.610 -12.833 -4.214) 16.577 10.877 ( 0.587 10.398 0.048) 10.415 10.902 ( -2.451 0.519 2.761) 3.728 11.165 ( 2.730 1.874 -2.815) 4.346 11.328 ( -0.863 2.275 -1.515) 2.867 11.723 ( -2.450 5.161 5.498) 7.928 11.919 ( -6.257 -0.323 -3.205) 7.038 12.566 ( 0.232 -9.116 11.529) 14.700 12.772 ( 0.142 -1.638 -1.852) 2.477 13.057 ( -4.983 -0.641 0.183) 5.027 13.716 ( 14.497 10.757 -4.383) 18.577 14.303 ( 15.477 0.369 0.968) 15.512 14.545 ( -5.833 16.352 -14.859) 22.852 14.699 ( 2.040 -6.655 -0.278) 6.966 15.150 ( -0.234 -1.913 17.525) 17.631 15.848 ( -6.228 3.069 -3.966) 7.996 16.384 ( 10.311 -3.942 -9.657) 14.667 17.142 ( -7.578 -4.210 5.074) 10.044 17.534 ( -16.168 -5.993 2.752) 17.461 18.060 ( -0.437 -2.544 0.845) 2.716 18.599 ( -0.174 -6.582 16.781) 18.026 19.474 ( -2.392 7.713 -16.539) 18.405 21.590 ( 1.663 0.905 -0.239) 1.908 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 1.197 -14.080 -8.499) 16.490 2.739 ( -7.442 -7.505 -1.433) 10.665 2.939 ( 8.224 1.010 5.068) 9.712 3.047 ( -5.286 -0.803 8.780) 10.280 3.185 ( 6.427 -6.776 2.910) 9.782 3.417 ( -8.352 9.244 -0.777) 12.482 3.561 ( 4.703 1.860 7.635) 9.158 3.737 ( 2.541 9.212 9.992) 13.826 4.099 ( -3.474 -2.969 -9.374) 10.429 4.374 ( 0.213 -7.032 0.292) 7.041 4.476 ( 0.364 0.005 3.409) 3.428 4.804 ( 3.122 0.466 -3.020) 4.368 5.032 ( -2.820 -4.894 -4.725) 7.364 5.237 ( 2.716 7.239 -1.667) 7.910 5.572 ( -9.014 -2.663 -9.499) 13.363 5.597 ( 6.306 -0.329 -1.009) 6.395 5.937 ( -0.295 -1.037 13.966) 14.007 6.279 ( 5.137 4.662 7.422) 10.159 6.349 ( -4.483 3.536 -6.574) 8.707 6.495 ( 1.055 10.605 -11.574) 15.734 6.867 ( -1.614 -0.990 -0.026) 1.894 7.512 ( -1.688 -10.396 -1.649) 10.661 7.716 ( 2.700 5.718 -4.582) 7.809 7.873 ( -1.264 -0.749 8.826) 8.947 8.432 ( 13.449 -13.864 -6.912) 20.515 8.552 ( -13.569 -6.520 -7.332) 16.745 8.987 ( 0.778 12.604 -9.503) 15.804 9.297 ( -2.535 -1.014 0.844) 2.858 9.352 ( 2.526 -0.124 -0.125) 2.532 9.400 ( -0.746 3.025 1.065) 3.292 9.728 ( 1.858 -0.217 8.211) 8.422 9.787 ( -0.397 2.994 8.611) 9.125 10.292 ( 0.639 -6.027 -1.555) 6.257 10.433 ( -2.428 3.740 1.532) 4.715 10.465 ( 4.784 0.068 -0.331) 4.796 10.749 ( -4.973 2.309 -2.564) 6.053 11.074 ( 1.759 0.845 -2.432) 3.118 11.086 ( -1.092 1.964 -2.833) 3.616 11.600 ( -0.189 -3.021 2.460) 3.900 11.650 ( 2.778 -3.479 3.075) 5.411 12.049 ( -1.832 -3.678 -20.950) 21.349 12.645 ( -0.447 3.079 -4.155) 5.191 12.796 ( 0.100 -4.970 0.643) 5.012 13.054 ( -0.667 9.590 -1.821) 9.785 13.448 ( 1.738 -0.111 13.050) 13.166 14.156 ( -1.837 -1.963 -4.527) 5.265 14.291 ( 1.695 8.290 -9.405) 12.651 14.911 ( -2.973 -10.761 -5.479) 12.436 15.139 ( 4.138 8.408 -5.720) 10.979 15.589 ( -1.895 5.304 4.127) 6.983 16.422 ( 0.058 -0.256 10.844) 10.847 17.472 ( -4.409 -12.727 0.667) 13.486 17.664 ( 7.987 1.195 12.101) 14.548 17.806 ( -2.819 9.607 1.377) 10.107 18.872 ( -0.802 -19.695 2.840) 19.915 19.362 ( 0.256 13.893 2.093) 14.052 21.549 ( -0.001 0.434 -1.725) 1.779 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -2.969 -20.868 -2.534) 21.230 2.549 ( -12.370 -3.560 -0.245) 12.874 2.992 ( -6.638 -10.785 5.867) 13.957 3.085 ( 2.277 10.038 -4.441) 11.210 3.240 ( 1.732 -1.422 0.654) 2.334 3.410 ( -1.338 -0.573 4.117) 4.366 3.735 ( 5.375 -0.223 1.669) 5.633 3.945 ( -1.910 -0.880 0.730) 2.226 4.037 ( 2.503 10.840 13.957) 17.849 4.331 ( -0.269 -4.165 -0.451) 4.198 4.475 ( -3.681 -0.492 1.298) 3.934 4.747 ( 0.896 -4.758 -7.774) 9.158 4.881 ( -7.233 2.651 -5.236) 9.315 5.318 ( 7.112 3.171 -7.298) 10.672 5.365 ( -1.425 -3.896 -0.602) 4.192 5.670 ( 4.942 3.971 -1.315) 6.475 6.029 ( -1.976 -4.262 4.331) 6.389 6.285 ( 5.720 1.325 -3.893) 7.045 6.454 ( 5.247 13.990 -7.494) 16.715 6.495 ( 1.274 7.758 0.055) 7.862 6.846 ( -8.033 -3.760 9.717) 13.156 7.406 ( -3.010 -11.215 -0.585) 11.627 7.712 ( 1.413 6.881 -3.663) 7.922 7.907 ( -3.342 -5.366 3.049) 7.018 8.244 ( -10.300 0.452 -5.121) 11.511 8.443 ( 13.994 -11.329 -8.900) 20.084 8.969 ( 3.285 9.519 -8.627) 13.260 9.236 ( -0.228 -2.583 -4.871) 5.519 9.319 ( -0.211 -1.469 -0.038) 1.484 9.438 ( -1.240 5.675 -1.504) 6.000 9.856 ( -1.136 1.811 6.717) 7.049 9.943 ( 1.354 0.826 9.792) 9.920 10.279 ( 4.308 -3.901 0.237) 5.817 10.460 ( -3.272 1.901 4.677) 6.016 10.563 ( 7.615 1.726 1.980) 8.055 10.661 ( -6.224 -3.300 1.926) 7.303 11.038 ( -1.883 1.661 -2.789) 3.753 11.097 ( 3.428 2.979 -2.616) 5.241 11.526 ( -5.637 -0.434 -2.787) 6.304 11.783 ( -3.204 -0.425 -7.672) 8.325 11.805 ( 11.490 -2.630 3.355) 12.255 12.618 ( 1.750 2.233 -4.061) 4.954 12.707 ( -7.794 -3.117 0.896) 8.442 13.139 ( 9.804 7.681 -5.840) 13.756 13.561 ( -8.955 -2.908 10.636) 14.204 14.061 ( 0.625 0.703 -7.169) 7.231 14.326 ( 9.120 11.368 -5.475) 15.569 14.775 ( -0.211 -11.029 -0.693) 11.053 15.171 ( -2.843 12.495 -1.587) 12.912 15.695 ( 4.766 2.623 4.157) 6.847 16.460 ( -2.362 -5.045 -1.276) 5.715 17.327 ( -3.199 -6.465 -0.779) 7.255 17.856 ( -1.307 1.672 6.623) 6.955 17.969 ( 1.136 4.061 13.988) 14.610 18.685 ( -6.679 -19.774 1.670) 20.938 19.480 ( 3.961 10.101 -3.631) 11.441 21.538 ( 0.738 0.915 -1.233) 1.703 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -9.204 -20.007 7.816) 23.369 2.398 ( -15.337 -2.160 7.925) 17.398 2.883 ( -4.249 -9.081 -0.237) 10.029 3.056 ( -0.243 9.163 -9.793) 13.413 3.254 ( 3.556 -2.105 -2.508) 4.833 3.382 ( 0.747 -8.156 -4.722) 9.454 3.720 ( -1.948 3.893 -2.565) 5.052 4.034 ( -3.980 0.096 9.980) 10.745 4.247 ( -5.868 3.578 6.228) 9.275 4.329 ( 0.201 0.608 4.534) 4.579 4.466 ( 2.381 -0.632 2.994) 3.877 4.594 ( -0.564 -3.338 -9.036) 9.649 4.796 ( -1.469 5.868 -1.412) 6.212 5.258 ( 1.948 -7.885 -1.582) 8.275 5.412 ( 4.462 3.826 -5.178) 7.834 5.755 ( 7.289 3.639 -1.022) 8.211 5.997 ( 0.376 -4.391 -1.567) 4.677 6.325 ( 3.732 4.182 -2.677) 6.212 6.483 ( 1.326 8.903 -5.328) 10.460 6.620 ( 7.775 9.226 0.927) 12.101 6.863 ( -8.351 -3.871 11.532) 14.755 7.243 ( -6.952 -10.668 0.538) 12.745 7.734 ( -3.375 4.796 -4.591) 7.448 7.823 ( -1.028 -7.704 0.656) 7.800 8.164 ( -1.410 8.230 -0.766) 8.385 8.388 ( 11.190 -8.510 -12.726) 18.963 8.969 ( 2.382 5.535 -4.896) 7.764 9.223 ( 4.849 0.505 0.787) 4.939 9.313 ( 1.588 -0.633 -1.102) 2.034 9.419 ( -2.232 5.627 -3.626) 7.057 9.909 ( -2.175 1.058 3.159) 3.979 10.033 ( -3.596 0.882 4.813) 6.073 10.337 ( 4.913 -1.408 1.834) 5.430 10.504 ( 0.089 -3.410 5.637) 6.589 10.559 ( -0.519 -7.843 -1.745) 8.052 10.767 ( 6.149 1.807 8.621) 10.742 10.991 ( -3.047 2.431 -1.452) 4.160 11.102 ( 2.769 1.551 -5.249) 6.134 11.405 ( -3.556 6.144 -6.539) 9.652 11.760 ( -0.479 2.063 3.800) 4.351 11.939 ( 5.339 -1.793 0.619) 5.666 12.606 ( -2.813 -1.301 3.402) 4.602 12.655 ( 2.006 0.055 0.018) 2.007 13.186 ( 4.638 4.636 -10.128) 12.066 13.552 ( -6.569 -0.006 9.409) 11.476 14.017 ( 6.076 0.085 -5.181) 7.985 14.477 ( 9.190 17.031 -8.589) 21.172 14.706 ( -0.632 -9.603 2.200) 9.872 15.229 ( -4.822 8.957 6.842) 12.259 15.842 ( 5.926 2.148 4.094) 7.517 16.278 ( -2.101 -7.581 -12.099) 14.432 17.282 ( -3.349 -2.994 3.443) 5.659 17.875 ( -9.385 -2.579 6.489) 11.698 18.105 ( -2.707 -3.039 3.918) 5.649 18.577 ( 0.420 -14.229 10.471) 17.671 19.487 ( 1.360 8.463 -10.666) 13.684 21.548 ( 1.447 1.346 -0.555) 2.052 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -14.628 -13.267 17.706) 26.524 2.358 ( -14.576 -2.158 16.661) 22.242 2.759 ( 2.514 -3.804 -9.358) 10.409 2.987 ( 3.851 5.036 -11.600) 13.219 3.210 ( 1.509 1.255 -13.412) 13.555 3.251 ( 1.451 -11.002 2.987) 11.493 3.704 ( -2.820 7.754 -2.469) 8.612 4.015 ( -8.996 -9.947 6.650) 14.969 4.197 ( -6.665 -0.831 0.571) 6.740 4.384 ( -7.760 -0.883 5.128) 9.343 4.463 ( 1.084 1.332 -3.107) 3.550 4.636 ( 7.217 8.596 4.525) 12.102 4.885 ( 3.746 2.430 4.445) 6.300 5.192 ( -2.743 -3.490 -1.151) 4.585 5.379 ( 5.284 -4.825 -7.118) 10.093 5.825 ( 0.605 -6.184 -0.174) 6.216 5.970 ( 7.231 5.409 -6.300) 11.010 6.378 ( -1.553 11.526 -1.065) 11.679 6.522 ( 8.465 -1.467 -1.005) 8.650 6.761 ( -1.556 2.392 2.493) 3.789 6.913 ( -0.620 3.241 7.587) 8.274 7.188 ( 4.090 -3.028 4.948) 7.098 7.572 ( -9.365 -1.300 -4.391) 10.425 7.796 ( -2.577 -1.623 0.882) 3.171 8.222 ( 5.117 1.638 -6.548) 8.470 8.287 ( 6.393 -0.376 -9.429) 11.398 8.993 ( 0.402 3.786 0.749) 3.880 9.292 ( -0.959 0.307 -1.124) 1.509 9.332 ( 3.266 0.666 0.762) 3.419 9.436 ( 6.418 5.679 0.397) 8.579 9.903 ( -3.902 1.464 0.117) 4.170 10.027 ( -5.137 0.241 3.129) 6.020 10.397 ( 3.887 -7.255 -2.643) 8.645 10.467 ( 1.463 -5.109 0.488) 5.337 10.571 ( 3.544 -5.834 5.368) 8.683 10.907 ( 2.357 6.475 -2.642) 7.380 10.957 ( -2.946 1.442 -0.690) 3.351 11.119 ( 4.403 2.929 0.663) 5.330 11.380 ( -0.802 5.622 1.052) 5.775 11.808 ( -1.631 -0.717 -0.132) 1.786 11.924 ( -1.189 1.621 -2.404) 3.134 12.671 ( -0.148 -6.390 12.659) 14.181 12.717 ( 5.331 4.486 -1.712) 7.174 13.071 ( -4.588 0.795 -7.187) 8.564 13.678 ( 3.753 7.391 5.937) 10.197 14.089 ( 14.959 -4.626 -1.546) 15.734 14.505 ( -0.966 18.706 -15.421) 24.262 14.683 ( -0.558 -2.873 2.826) 4.068 15.380 ( -0.978 -1.001 15.671) 15.733 15.919 ( -6.350 2.287 -0.102) 6.750 16.081 ( 9.760 -1.963 -12.331) 15.848 17.244 ( -5.670 -4.046 2.098) 7.275 17.750 ( -15.477 -8.765 5.474) 18.610 18.048 ( -1.238 -4.407 -0.364) 4.592 18.695 ( 3.026 -11.364 12.492) 17.157 19.366 ( -2.212 8.913 -14.650) 17.291 21.575 ( 1.635 1.429 -0.138) 2.176 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 2.707 -17.684 -0.334) 17.893 2.725 ( 8.361 3.432 -5.105) 10.380 2.809 ( 5.135 -6.090 1.766) 8.160 3.122 ( 2.244 -6.481 4.087) 7.984 3.223 ( -0.722 2.969 5.928) 6.669 3.491 ( -2.870 -2.641 -7.347) 8.318 3.641 ( 2.419 -1.007 6.715) 7.208 3.785 ( 0.310 0.312 4.621) 4.642 4.225 ( -5.605 5.757 6.940) 10.617 4.321 ( 0.991 0.320 -0.006) 1.042 4.455 ( 3.975 -0.514 -0.710) 4.071 4.661 ( 3.587 -4.854 -3.473) 6.964 4.985 ( 3.304 1.822 -4.398) 5.794 5.212 ( -4.001 -0.244 -3.375) 5.240 5.541 ( 4.041 1.419 -0.529) 4.316 5.594 ( -11.696 3.451 -6.933) 14.027 6.050 ( 1.665 -3.177 5.985) 6.978 6.227 ( -5.252 -0.751 -2.739) 5.970 6.363 ( 1.819 7.086 -8.060) 10.885 6.602 ( -6.774 13.664 1.421) 15.317 6.904 ( 5.305 2.008 7.875) 9.705 7.477 ( -6.587 -9.477 -1.619) 11.655 7.617 ( 9.071 3.148 -3.401) 10.186 7.912 ( 3.685 -8.114 2.346) 9.215 8.112 ( 7.126 -6.375 -3.202) 10.084 8.547 ( -10.109 -4.422 -11.718) 16.095 8.978 ( -3.911 9.731 -7.116) 12.674 9.299 ( -4.064 -1.248 -6.403) 7.686 9.302 ( 0.572 2.143 -2.253) 3.162 9.415 ( 3.440 3.639 0.959) 5.098 9.824 ( 3.639 -1.512 9.615) 10.391 9.908 ( -0.350 -0.987 7.435) 7.508 10.296 ( -5.492 -4.174 3.934) 7.941 10.413 ( 3.698 1.652 0.803) 4.129 10.568 ( -4.508 1.469 7.681) 9.026 10.809 ( -2.443 7.978 -2.484) 8.706 11.012 ( 2.611 -1.368 -2.181) 3.667 11.086 ( -2.170 2.763 -2.806) 4.496 11.492 ( 8.761 -5.113 -3.335) 10.678 11.661 ( -3.433 -3.820 -0.847) 5.205 11.905 ( -4.601 -0.062 -4.191) 6.224 12.630 ( -2.551 3.093 -3.965) 5.639 12.734 ( 5.721 0.013 1.127) 5.831 13.148 ( -9.998 8.008 -6.814) 14.509 13.523 ( 10.840 -5.635 14.110) 18.664 14.148 ( -1.829 6.123 -7.775) 10.064 14.209 ( -6.094 3.260 -8.179) 10.709 14.848 ( -4.341 -11.297 -0.056) 12.102 15.091 ( 6.916 12.279 -0.160) 14.094 15.729 ( -5.640 4.977 2.292) 7.864 16.479 ( 1.094 -3.000 -0.273) 3.205 17.354 ( 2.176 -5.301 -3.715) 6.829 17.762 ( 4.393 -2.909 12.359) 13.435 18.008 ( -1.593 4.782 11.839) 12.867 18.728 ( 4.653 -16.763 2.808) 17.622 19.451 ( -2.640 8.412 -5.537) 10.411 21.538 ( -0.756 0.947 -1.211) 1.714 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -2.372 -15.276 8.400) 17.594 2.662 ( -5.767 0.038 -0.580) 5.796 2.942 ( 10.532 2.562 -4.416) 11.704 3.071 ( -6.788 -11.223 2.467) 13.346 3.245 ( -4.194 -5.307 -5.733) 8.867 3.324 ( 6.626 -9.196 -2.051) 11.519 3.707 ( 0.943 2.655 -0.629) 2.887 3.981 ( 6.684 -2.100 13.220) 14.962 4.267 ( 2.447 -2.859 1.944) 4.235 4.406 ( -2.079 12.894 1.998) 13.213 4.434 ( -2.225 2.577 -0.644) 3.465 4.585 ( -2.459 -4.087 -4.654) 6.664 4.982 ( -5.731 2.017 -0.184) 6.078 5.124 ( 6.493 1.697 -8.227) 10.617 5.374 ( -5.584 -2.925 -1.158) 6.409 5.658 ( 3.153 6.924 -0.738) 7.644 6.024 ( -2.447 -6.993 -1.324) 7.526 6.207 ( 2.232 1.269 0.533) 2.622 6.402 ( 5.266 13.300 -4.995) 15.151 6.615 ( -5.852 13.285 -1.418) 14.586 7.073 ( -4.582 -1.784 12.330) 13.274 7.354 ( 0.164 -10.045 0.302) 10.051 7.665 ( 3.451 0.967 -3.433) 4.963 7.866 ( 1.742 -10.869 -1.747) 11.145 8.122 ( 5.006 -3.041 -3.119) 6.636 8.279 ( -4.374 -1.189 -8.886) 9.976 8.928 ( -1.165 10.093 -6.072) 11.836 9.177 ( -1.621 -0.622 -2.141) 2.756 9.287 ( 0.797 1.887 -3.518) 4.071 9.444 ( -0.143 5.845 -4.082) 7.131 9.973 ( 0.132 -4.631 5.826) 7.444 10.019 ( 3.620 0.591 8.360) 9.129 10.277 ( -3.477 -1.489 4.880) 6.175 10.506 ( 6.027 1.035 2.190) 6.495 10.581 ( -4.375 -2.671 4.038) 6.525 10.778 ( -6.205 0.720 1.596) 6.447 11.008 ( 2.162 -0.535 -2.458) 3.317 11.065 ( -1.025 4.463 -2.293) 5.121 11.424 ( 3.576 2.558 -10.862) 11.718 11.701 ( 3.194 -2.768 6.253) 7.547 11.865 ( -1.692 -0.642 3.703) 4.121 12.581 ( -0.704 2.522 -2.539) 3.648 12.777 ( -2.368 1.139 1.109) 2.852 13.042 ( 0.636 7.301 -7.532) 10.509 13.741 ( -1.819 -4.757 11.788) 12.841 14.004 ( -4.654 0.227 -7.630) 8.940 14.182 ( 10.430 11.334 -8.189) 17.445 14.753 ( -3.253 -7.658 3.068) 8.868 15.269 ( 2.491 14.660 2.415) 15.065 15.758 ( -0.794 4.215 3.653) 5.634 16.345 ( -1.988 -9.340 -10.649) 14.303 17.325 ( -0.209 -4.041 2.618) 4.819 17.954 ( 2.893 -1.912 9.259) 9.887 18.165 ( -1.265 0.789 8.045) 8.182 18.623 ( -3.638 -18.703 5.528) 19.839 19.423 ( 3.063 7.716 -9.442) 12.573 21.529 ( -0.039 1.567 -0.705) 1.719 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -6.011 -8.453 17.119) 20.016 2.591 ( -3.323 -1.288 -1.462) 3.852 2.857 ( -8.224 -9.769 -2.743) 13.061 2.934 ( 1.239 0.666 -11.452) 11.538 3.144 ( 4.322 -10.174 -0.400) 11.061 3.271 ( -2.538 -7.864 -1.159) 8.345 3.715 ( 1.441 2.294 -2.923) 3.985 4.153 ( -3.060 -5.919 5.406) 8.580 4.300 ( 1.023 -0.774 1.692) 2.123 4.404 ( 7.175 2.353 0.716) 7.584 4.405 ( 0.193 -1.698 -8.622) 8.790 4.600 ( -5.226 11.973 7.352) 14.990 4.915 ( -5.313 6.243 -0.346) 8.205 5.168 ( 5.932 -0.992 -1.485) 6.195 5.294 ( -1.149 -5.824 -1.680) 6.169 5.735 ( 2.766 7.266 0.420) 7.786 5.933 ( -1.550 -5.496 -1.539) 5.914 6.255 ( 4.345 0.407 -0.230) 4.370 6.518 ( 2.811 17.136 -5.139) 18.109 6.661 ( 1.378 10.697 2.706) 11.119 7.070 ( -6.161 -8.732 5.967) 12.240 7.262 ( -8.651 -7.520 1.530) 11.564 7.656 ( 6.292 -2.961 -6.879) 9.781 7.823 ( -0.919 -5.410 5.331) 7.650 8.086 ( 2.310 -3.446 -5.754) 7.094 8.191 ( 1.303 4.878 -4.705) 6.902 8.944 ( 2.202 8.177 -2.203) 8.750 9.208 ( 2.503 1.272 2.338) 3.654 9.279 ( 1.689 4.567 -0.632) 4.910 9.413 ( -0.678 5.561 -5.355) 7.750 9.983 ( -1.228 -5.819 2.618) 6.498 10.105 ( -0.681 -0.383 1.785) 1.949 10.311 ( -0.506 -0.479 3.855) 3.918 10.558 ( -3.447 -8.923 5.879) 11.227 10.560 ( -1.679 1.897 -1.063) 2.747 10.788 ( 4.000 -1.413 3.917) 5.774 11.008 ( 3.423 0.759 -2.497) 4.304 11.033 ( -2.757 4.716 -1.725) 5.729 11.396 ( 1.005 8.520 -5.687) 10.293 11.807 ( 3.097 -1.368 5.432) 6.401 11.886 ( 0.652 -2.266 -0.615) 2.437 12.600 ( 2.294 5.588 -0.247) 6.045 12.759 ( -5.600 -0.345 5.294) 7.714 13.041 ( 5.438 6.776 -7.910) 11.750 13.759 ( -7.557 -3.502 8.024) 11.565 13.885 ( 1.002 -0.715 -5.102) 5.248 14.339 ( 12.373 15.140 -8.317) 21.248 14.722 ( -2.228 -5.067 3.880) 6.759 15.424 ( -0.758 12.788 4.437) 13.557 15.870 ( 2.823 5.154 3.943) 7.077 16.069 ( -2.580 -12.648 -10.829) 16.849 17.331 ( -1.201 -3.516 2.492) 4.474 18.002 ( -5.684 -9.067 3.336) 11.210 18.125 ( -2.002 -7.533 -1.043) 7.864 18.664 ( -1.187 -6.976 16.918) 18.338 19.349 ( 2.689 5.002 -14.303) 15.389 21.541 ( 0.780 2.009 -0.150) 2.161 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -10.943 -4.794 19.792) 23.118 2.462 ( 3.487 -3.835 -15.286) 16.141 2.736 ( -7.514 -5.114 9.342) 13.035 2.774 ( 2.027 -4.162 -11.759) 12.638 3.106 ( -3.664 0.297 -5.433) 6.560 3.208 ( 2.005 -7.114 7.530) 10.552 3.706 ( 2.218 3.284 -4.513) 6.006 4.000 ( -5.892 -9.071 -3.616) 11.405 4.267 ( -2.366 -3.062 -7.227) 8.197 4.362 ( -1.568 -0.612 3.932) 4.277 4.611 ( -0.537 3.211 -6.820) 7.557 4.634 ( 9.146 3.732 9.836) 13.940 4.958 ( -0.688 2.567 5.091) 5.743 5.177 ( 0.294 4.100 -4.075) 5.788 5.245 ( -1.306 -7.633 6.019) 9.807 5.821 ( -3.271 -5.834 3.392) 7.499 5.874 ( 3.739 9.859 -4.740) 11.560 6.337 ( 8.514 -0.591 0.550) 8.552 6.558 ( -2.921 14.190 -3.784) 14.974 6.854 ( 2.397 8.212 5.352) 10.091 7.010 ( -1.403 -7.860 1.766) 8.178 7.148 ( -1.376 -1.524 1.930) 2.817 7.581 ( 1.152 -2.591 -5.973) 6.611 7.865 ( -4.695 -1.803 4.911) 7.030 8.005 ( 1.789 -3.898 -3.010) 5.239 8.201 ( 2.699 4.853 -4.479) 7.134 9.030 ( 2.815 5.603 1.615) 6.475 9.254 ( 3.488 1.615 0.100) 3.845 9.339 ( -2.229 5.163 -1.669) 5.866 9.462 ( 5.093 6.299 5.076) 9.560 9.931 ( -0.968 -5.221 -2.063) 5.696 10.074 ( -0.527 -2.771 -2.540) 3.795 10.330 ( -3.718 -3.054 4.319) 6.466 10.476 ( -5.487 -0.732 0.127) 5.537 10.599 ( 0.673 -2.544 5.422) 6.027 10.862 ( 4.346 3.653 -1.860) 5.974 10.979 ( -2.706 -0.151 -2.496) 3.684 11.113 ( 5.137 4.598 2.853) 7.461 11.405 ( 2.739 5.064 -2.069) 6.118 11.772 ( -4.319 -2.850 -6.795) 8.541 11.914 ( 3.176 0.099 1.335) 3.446 12.690 ( 3.109 7.016 0.192) 7.676 12.784 ( -1.632 -3.900 5.893) 7.253 13.050 ( 0.161 6.526 -2.261) 6.908 13.781 ( 7.144 -3.926 1.132) 8.230 13.892 ( -0.429 0.369 4.789) 4.822 14.431 ( 4.083 18.710 -12.801) 23.034 14.724 ( -1.052 -0.814 2.929) 3.216 15.567 ( -1.624 -0.200 10.294) 10.423 15.751 ( 4.251 -4.589 -16.589) 17.730 16.079 ( -0.795 5.462 9.534) 11.017 17.283 ( -4.147 -4.503 -1.076) 6.216 17.839 ( -2.903 -16.084 1.170) 16.386 18.058 ( -5.387 -3.424 0.830) 6.437 18.778 ( -6.707 -5.556 7.780) 11.678 19.232 ( 4.746 3.293 -9.665) 11.260 21.569 ( 1.127 1.949 0.050) 2.252 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 6.970 -12.882 11.060) 18.353 2.487 ( 22.721 1.492 2.368) 22.892 2.805 ( -5.149 -5.335 0.035) 7.415 3.026 ( 6.787 -1.247 -7.852) 10.454 3.239 ( -2.524 -7.026 -3.107) 8.086 3.411 ( -7.524 -4.459 -4.830) 9.991 3.625 ( 6.215 2.825 -2.213) 7.176 3.901 ( -0.854 -3.470 10.265) 10.869 4.230 ( 1.243 -9.942 2.696) 10.376 4.325 ( 9.917 0.470 5.143) 11.181 4.489 ( -2.099 1.206 -2.324) 3.356 4.633 ( -0.675 9.841 1.610) 9.995 4.915 ( 1.798 7.774 -3.392) 8.670 5.236 ( -6.744 -5.219 -2.300) 8.833 5.466 ( 4.299 1.709 -3.468) 5.782 5.724 ( -14.287 4.738 -3.431) 15.438 6.017 ( 2.073 -5.140 -1.918) 5.865 6.286 ( 2.562 4.343 -3.586) 6.188 6.369 ( -11.704 4.527 2.665) 12.828 6.758 ( -3.990 12.140 -1.297) 12.845 6.934 ( 10.054 3.030 6.975) 12.607 7.422 ( 8.523 1.869 -0.994) 8.782 7.469 ( 0.117 -14.236 -3.328) 14.620 7.883 ( -6.020 -7.341 4.995) 10.727 8.027 ( 5.281 2.857 -0.947) 6.079 8.425 ( -7.101 -6.202 -15.779) 18.381 9.014 ( -3.265 7.420 -4.505) 9.274 9.282 ( -1.360 2.406 -3.880) 4.764 9.297 ( -5.727 2.057 -2.777) 6.689 9.432 ( 1.552 6.501 1.130) 6.779 9.860 ( 3.135 -2.608 5.090) 6.522 9.974 ( 2.236 -2.374 6.057) 6.879 10.395 ( -0.309 1.604 -0.697) 1.776 10.461 ( -6.209 -1.440 9.665) 11.577 10.698 ( -5.003 -3.415 -0.386) 6.070 10.846 ( 1.872 8.564 -2.450) 9.102 10.958 ( 2.095 -2.989 2.192) 4.257 11.103 ( -1.784 3.995 -2.201) 4.897 11.313 ( 2.118 0.471 -6.167) 6.537 11.679 ( -0.411 -3.983 4.274) 5.857 11.933 ( -2.190 -2.607 0.108) 3.406 12.663 ( -5.455 4.680 -2.926) 7.760 12.714 ( 4.511 2.110 4.892) 6.981 13.173 ( -4.579 3.471 -10.433) 11.911 13.544 ( 9.049 -0.195 12.360) 15.319 14.133 ( -4.714 9.934 -4.239) 11.785 14.224 ( -11.617 -3.355 -10.257) 15.856 14.807 ( 1.266 -6.680 0.366) 6.809 15.189 ( 1.927 11.929 9.775) 15.542 15.819 ( -2.578 -1.708 -0.489) 3.131 16.370 ( -0.170 0.269 -10.742) 10.747 17.284 ( 3.618 -3.556 2.448) 5.632 17.799 ( 8.359 -5.513 9.226) 13.615 18.141 ( 2.867 -0.759 4.241) 5.175 18.685 ( 0.222 -9.483 12.656) 15.816 19.381 ( -0.841 2.556 -13.906) 14.164 21.549 ( -1.437 1.418 -0.555) 2.094 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -1.123 -5.486 16.745) 17.656 2.622 ( -1.001 -7.308 -12.907) 14.866 2.761 ( 12.216 3.022 0.224) 12.587 2.977 ( 5.377 -13.695 -7.926) 16.712 3.087 ( -3.477 -11.468 1.834) 12.123 3.303 ( -1.069 -0.772 0.035) 1.319 3.678 ( 2.503 1.577 -1.743) 3.434 4.042 ( 5.568 -5.220 9.250) 11.992 4.226 ( 2.417 -2.695 3.615) 5.116 4.398 ( -4.146 -1.316 -4.526) 6.278 4.483 ( -0.189 4.498 2.099) 4.967 4.699 ( -1.263 10.195 -2.994) 10.700 4.986 ( 3.672 5.342 -2.903) 7.103 5.065 ( -6.770 -1.756 0.346) 7.002 5.382 ( -1.657 -3.598 -3.647) 5.384 5.699 ( -1.511 9.061 1.973) 9.395 5.951 ( 1.882 -8.155 -2.378) 8.701 6.287 ( -7.234 4.690 1.788) 8.805 6.385 ( 2.968 9.959 -1.042) 10.444 6.755 ( -5.480 13.531 -3.404) 14.991 7.167 ( 7.161 -4.793 3.733) 9.391 7.251 ( 0.931 -9.796 -3.100) 10.317 7.553 ( 2.377 -3.690 0.827) 4.467 7.838 ( -2.138 -5.895 6.158) 8.789 8.105 ( -1.720 2.673 0.851) 3.291 8.141 ( 2.310 -1.673 -10.515) 10.895 8.967 ( -3.916 8.098 -3.685) 9.720 9.215 ( -2.597 2.847 0.888) 3.954 9.264 ( -1.553 2.551 -1.430) 3.311 9.445 ( -1.785 7.712 -5.051) 9.391 9.967 ( 3.324 -5.637 4.405) 7.888 10.068 ( 2.289 -0.939 4.240) 4.910 10.383 ( -0.508 1.966 -0.375) 2.065 10.502 ( -1.594 -4.743 4.704) 6.867 10.602 ( -0.667 -4.465 0.709) 4.570 10.830 ( -2.333 1.576 -2.950) 4.078 10.972 ( -0.058 -2.545 1.177) 2.805 11.094 ( -1.580 5.084 -2.596) 5.922 11.330 ( 2.041 8.936 -2.174) 9.420 11.736 ( 1.801 -4.592 6.751) 8.360 11.910 ( -1.324 -0.579 0.757) 1.631 12.606 ( -3.074 4.325 -1.059) 5.411 12.833 ( 2.380 2.995 4.194) 5.677 12.996 ( -4.997 4.071 -9.274) 11.294 13.846 ( 8.816 -0.045 7.995) 11.901 13.958 ( -4.354 -0.257 -7.915) 9.037 14.110 ( -4.737 9.879 -0.508) 10.968 14.767 ( -0.840 -5.701 0.910) 5.834 15.426 ( -0.541 16.853 5.857) 17.850 15.809 ( 3.607 -2.221 2.118) 4.736 16.155 ( -4.561 -6.293 -11.890) 14.205 17.323 ( 1.622 -4.726 2.520) 5.596 17.983 ( 7.390 -3.593 6.451) 10.447 18.148 ( 0.221 -9.598 -3.089) 10.085 18.745 ( -4.842 -8.920 15.247) 18.316 19.261 ( 4.043 4.754 -12.661) 14.115 21.542 ( -0.828 2.026 -0.196) 2.197 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 5.841 -17.099 -15.356) 23.713 2.445 ( -3.350 -0.103 11.280) 11.767 2.726 ( -1.700 -2.589 -8.512) 9.057 2.884 ( 0.771 -5.418 0.619) 5.508 3.083 ( 1.185 -7.211 9.481) 11.971 3.310 ( -2.929 -2.249 3.610) 5.164 3.655 ( -0.086 -0.071 -4.070) 4.072 4.180 ( 6.153 -5.380 4.801) 9.479 4.213 ( -6.086 -5.977 -8.126) 11.781 4.375 ( 4.881 -1.138 7.869) 9.330 4.436 ( -5.242 5.306 -2.574) 7.890 4.657 ( -0.068 4.056 -9.673) 10.489 4.932 ( 1.007 4.358 -5.569) 7.143 5.156 ( 1.187 -0.443 6.342) 6.467 5.340 ( -2.328 0.423 4.453) 5.043 5.802 ( 0.818 12.479 2.302) 12.715 5.909 ( 0.139 -6.823 1.573) 7.003 6.242 ( -3.993 0.359 0.007) 4.009 6.521 ( 6.610 13.905 -1.350) 15.455 6.748 ( -1.115 9.775 -2.501) 10.151 7.009 ( -2.000 -10.146 -5.866) 11.889 7.366 ( 8.845 -1.841 -0.884) 9.077 7.466 ( -8.409 -8.220 1.139) 11.814 7.857 ( 1.973 -6.701 3.432) 7.783 8.089 ( -3.592 4.133 2.854) 6.175 8.179 ( 1.193 5.590 2.069) 6.079 8.959 ( 0.486 6.011 -1.048) 6.121 9.236 ( -1.978 1.245 1.347) 2.698 9.317 ( 4.413 6.546 3.842) 8.780 9.405 ( -1.814 7.004 -4.774) 8.668 9.934 ( -1.146 -7.954 -1.910) 8.260 10.079 ( -0.235 -3.825 -2.384) 4.513 10.408 ( -1.022 3.877 1.372) 4.238 10.530 ( 5.678 -5.423 4.766) 9.185 10.647 ( -0.806 1.862 3.622) 4.151 10.776 ( -2.050 -1.213 -0.110) 2.385 10.961 ( 0.670 -0.713 -0.475) 1.087 11.083 ( -1.521 4.387 -0.493) 4.670 11.362 ( 0.525 7.578 -5.437) 9.341 11.821 ( 2.889 -4.048 4.586) 6.765 11.874 ( -3.396 -0.369 -1.171) 3.611 12.641 ( 0.702 7.036 1.535) 7.236 12.866 ( -1.889 1.777 -6.782) 7.261 12.947 ( 3.079 2.706 4.988) 6.456 13.721 ( -2.902 -3.429 -8.367) 9.497 14.072 ( -8.645 4.379 12.369) 15.713 14.195 ( 10.436 13.511 -4.335) 17.614 14.741 ( 0.478 -4.201 1.195) 4.393 15.517 ( 0.284 13.605 -8.179) 15.877 15.887 ( -8.671 -10.969 -4.437) 14.670 15.980 ( 7.719 2.798 10.816) 13.580 17.318 ( 0.666 -5.264 -0.157) 5.308 17.936 ( -4.132 -17.585 -6.460) 19.184 18.085 ( 2.688 -3.615 2.947) 5.383 18.906 ( 3.446 -2.549 15.039) 15.638 19.142 ( -3.062 1.843 -11.572) 12.111 21.553 ( 0.000 2.324 0.133) 2.328 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 4.752 -19.247 -16.569) 25.837 2.325 ( 4.724 -13.562 -12.467) 19.017 2.812 ( -2.876 5.189 16.789) 17.806 2.851 ( -4.607 2.326 0.423) 5.178 3.169 ( -6.569 -0.707 4.561) 8.029 3.332 ( -1.309 -0.515 12.660) 12.738 3.600 ( 3.142 -0.240 -5.859) 6.653 3.962 ( -5.876 -7.854 -7.004) 12.053 4.192 ( -8.136 -9.961 -10.597) 16.665 4.264 ( 7.875 -7.026 -2.443) 10.833 4.531 ( -2.526 4.823 -2.257) 5.893 4.669 ( 9.414 2.741 6.444) 11.733 4.954 ( 4.933 2.646 -0.854) 5.662 5.203 ( -0.877 -2.502 3.147) 4.115 5.412 ( -3.746 4.723 6.195) 8.644 5.868 ( -5.020 -0.793 1.595) 5.326 5.948 ( -1.777 10.997 4.576) 12.043 6.234 ( 5.685 -2.445 0.857) 6.247 6.627 ( -1.176 13.460 -3.978) 14.085 6.876 ( 3.388 -4.995 -5.999) 8.510 6.905 ( 11.862 10.898 3.320) 16.447 7.288 ( -10.169 -9.940 0.647) 14.235 7.383 ( 3.039 -2.557 -3.120) 5.051 7.922 ( 7.371 -7.290 3.255) 10.866 8.029 ( -10.374 6.734 -2.386) 12.596 8.286 ( -6.468 4.555 9.858) 12.640 9.038 ( 4.596 2.732 2.099) 5.744 9.265 ( 0.759 1.533 2.846) 3.320 9.380 ( -0.092 4.690 -1.959) 5.084 9.498 ( 5.891 7.661 2.255) 9.924 9.842 ( -0.137 -5.040 -1.904) 5.390 9.990 ( -0.090 -3.799 -4.133) 5.614 10.428 ( -1.607 3.947 -0.502) 4.291 10.604 ( -4.692 -0.715 0.338) 4.758 10.656 ( -5.960 1.057 6.316) 8.748 10.816 ( 7.908 2.337 2.953) 8.759 10.948 ( -0.540 -2.398 -3.266) 4.088 11.127 ( 2.889 4.404 1.907) 5.602 11.344 ( 3.127 3.942 -4.494) 6.747 11.729 ( -5.978 -0.924 -6.828) 9.122 11.898 ( 0.825 -3.014 2.533) 4.023 12.710 ( 0.640 0.235 -0.722) 0.993 12.796 ( 0.772 4.722 -3.810) 6.117 13.082 ( 5.002 -0.796 5.307) 7.336 13.616 ( 1.949 2.375 -4.173) 5.182 14.146 ( -10.219 3.394 12.994) 16.875 14.351 ( 7.265 16.684 -6.704) 19.393 14.750 ( 1.151 -1.452 1.443) 2.348 15.433 ( 5.923 1.408 -17.501) 18.530 15.723 ( -7.703 -6.186 6.391) 11.766 16.262 ( 4.108 6.455 12.895) 14.994 17.249 ( -1.456 -5.856 -3.705) 7.080 17.695 ( -0.073 -17.497 -3.966) 17.941 18.090 ( -1.103 -3.866 0.794) 4.098 18.871 ( -8.258 -1.683 -17.379) 19.315 19.164 ( 3.089 -0.604 17.461) 17.742 21.575 ( 0.470 2.116 0.192) 2.176 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -0.000 0.000 -2.019) 2.019 2.805 ( -0.000 0.000 -6.137) 6.137 2.805 ( -0.000 0.000 -6.137) 6.137 3.175 ( 0.000 -0.000 6.150) 6.150 3.366 ( 0.000 -0.000 7.328) 7.328 3.366 ( 0.000 -0.000 7.328) 7.328 3.781 ( 0.000 -0.000 15.167) 15.167 3.781 ( 0.000 -0.000 15.167) 15.167 3.937 ( -0.000 0.000 -13.571) 13.571 4.445 ( -0.000 -0.000 -3.394) 3.394 4.445 ( -0.000 0.000 -3.394) 3.394 4.811 ( 0.000 -0.000 2.492) 2.492 5.057 ( -0.000 0.000 -7.131) 7.131 5.057 ( -0.000 0.000 -7.131) 7.131 5.521 ( -0.000 0.000 -4.169) 4.169 5.521 ( -0.000 0.000 -4.169) 4.169 6.108 ( 0.000 -0.000 8.903) 8.903 6.238 ( -0.000 0.000 -8.534) 8.534 6.238 ( -0.000 0.000 -8.534) 8.534 6.363 ( 0.000 -0.000 6.383) 6.383 6.943 ( 0.000 -0.000 9.306) 9.306 7.598 ( 0.000 -0.000 -1.327) 1.327 7.598 ( 0.000 0.000 -1.327) 1.327 7.969 ( 0.000 -0.000 3.801) 3.801 8.448 ( -0.000 0.000 -11.541) 11.541 8.448 ( -0.000 0.000 -11.541) 11.541 8.734 ( -0.000 0.000 -6.876) 6.876 9.279 ( -0.000 0.000 -3.260) 3.260 9.358 ( -0.000 0.000 -3.163) 3.163 9.358 ( -0.000 0.000 -3.163) 3.163 9.896 ( 0.000 -0.000 11.405) 11.405 9.896 ( 0.000 -0.000 11.405) 11.405 10.320 ( -0.000 0.000 -0.061) 0.061 10.443 ( 0.000 -0.000 2.848) 2.848 10.443 ( 0.000 -0.000 2.848) 2.848 10.738 ( 0.000 -0.000 1.661) 1.661 11.034 ( -0.000 0.000 -2.635) 2.635 11.034 ( -0.000 0.000 -2.635) 2.635 11.713 ( 0.000 -0.000 5.599) 5.599 11.713 ( 0.000 0.000 5.599) 5.599 11.748 ( -0.000 0.000 -22.725) 22.725 12.575 ( -0.000 0.000 -3.181) 3.181 12.879 ( -0.000 0.000 -3.262) 3.262 12.879 ( -0.000 0.000 -3.262) 3.262 13.696 ( 0.000 -0.000 18.947) 18.947 14.085 ( -0.000 0.000 -9.040) 9.040 14.085 ( -0.000 0.000 -9.040) 9.040 14.976 ( -0.000 0.000 -2.718) 2.718 14.976 ( 0.000 0.000 -2.718) 2.718 15.608 ( 0.000 -0.000 4.362) 4.362 16.529 ( 0.000 -0.000 2.390) 2.390 17.457 ( -0.000 0.000 -9.011) 9.011 17.868 ( 0.000 -0.000 15.162) 15.162 17.868 ( 0.000 -0.000 15.162) 15.162 19.148 ( 0.000 -0.000 -1.210) 1.210 19.148 ( 0.000 0.000 -1.210) 1.210 21.521 ( -0.000 0.000 -1.638) 1.638 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -5.919 -3.298 3.332) 7.551 2.610 ( -4.933 -8.256 -1.648) 9.758 2.840 ( 2.308 7.562 -6.272) 10.092 3.241 ( 0.169 -3.136 4.128) 5.187 3.298 ( -11.433 -8.702 4.092) 14.939 3.497 ( -1.316 0.472 3.046) 3.351 3.724 ( -4.672 0.721 -6.732) 8.226 3.932 ( -2.826 3.938 14.752) 15.528 4.151 ( 13.201 1.832 10.060) 16.698 4.330 ( -2.942 -0.711 -5.072) 5.907 4.433 ( 3.051 1.416 -3.840) 5.105 4.750 ( -12.058 2.685 -0.817) 12.380 4.840 ( 1.090 -12.774 -7.090) 14.650 5.131 ( 9.619 9.697 -6.631) 15.183 5.452 ( 1.568 -6.728 -0.431) 6.921 5.536 ( 1.592 7.416 -3.161) 8.217 6.118 ( -1.582 -3.632 -0.363) 3.978 6.191 ( 2.543 7.260 -4.152) 8.741 6.227 ( 3.248 1.011 -0.996) 3.545 6.450 ( 7.017 1.464 -0.743) 7.206 7.072 ( -4.714 -3.882 14.036) 15.307 7.558 ( -5.180 -6.070 0.460) 7.994 7.599 ( -0.345 3.743 1.970) 4.244 7.968 ( -0.959 -1.580 -1.765) 2.556 8.160 ( -10.409 -1.051 -7.119) 12.655 8.369 ( 5.824 0.419 -13.594) 14.795 8.751 ( 9.128 4.532 -5.252) 11.465 9.227 ( 0.878 -2.176 -3.458) 4.179 9.260 ( -1.284 2.015 -5.022) 5.561 9.352 ( 2.839 1.427 -4.367) 5.401 9.981 ( -4.176 -2.373 8.552) 9.809 10.038 ( -0.804 1.264 6.575) 6.744 10.326 ( 1.521 -1.654 0.804) 2.386 10.487 ( -2.224 2.906 7.239) 8.111 10.574 ( 6.103 1.026 2.934) 6.848 10.780 ( 0.609 -2.332 6.856) 7.267 10.994 ( -0.345 -0.139 -2.202) 2.233 11.025 ( 2.040 1.849 -2.455) 3.689 11.417 ( -5.165 -1.904 -16.117) 17.031 11.751 ( -2.749 0.871 5.150) 5.903 11.865 ( 5.528 1.362 4.110) 7.022 12.550 ( 1.834 0.637 -2.707) 3.331 12.751 ( -3.565 -2.589 -0.648) 4.454 12.950 ( 8.805 5.093 -6.881) 12.281 13.813 ( -10.650 -7.824 11.284) 17.377 13.959 ( 1.748 0.235 -6.547) 6.780 14.095 ( 7.028 8.201 -4.867) 11.846 14.933 ( 2.353 -9.896 -0.059) 10.172 14.999 ( -0.468 10.613 1.672) 10.755 15.701 ( 4.986 2.357 3.007) 6.282 16.453 ( -3.314 -2.497 -8.640) 9.585 17.380 ( -2.490 -1.647 1.022) 3.156 17.992 ( -5.476 -1.059 12.260) 13.469 18.117 ( 3.116 0.441 11.843) 12.254 18.924 ( -9.607 -8.186 0.814) 12.648 19.265 ( 6.410 6.129 -7.795) 11.807 21.510 ( 0.926 0.519 -1.127) 1.549 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -6.351 -8.341 8.998) 13.816 2.535 ( -5.815 -5.930 7.261) 11.032 2.778 ( -1.039 6.465 -12.019) 13.687 3.054 ( -13.706 -12.134 0.966) 18.331 3.239 ( -1.738 -1.668 -2.891) 3.763 3.437 ( -6.028 -0.718 -3.458) 6.987 3.639 ( -3.359 0.838 0.309) 3.475 4.130 ( -2.985 4.279 13.020) 14.026 4.258 ( -1.496 1.273 -1.982) 2.791 4.353 ( 8.044 0.815 0.034) 8.085 4.415 ( 1.544 0.635 -5.094) 5.360 4.648 ( -7.938 -5.228 1.370) 9.603 4.770 ( 7.821 -1.815 3.012) 8.576 5.204 ( 5.238 5.949 -6.940) 10.535 5.404 ( -1.372 -4.167 -1.324) 4.583 5.623 ( 8.650 7.890 -1.056) 11.756 6.043 ( -4.365 -3.226 -2.423) 5.944 6.233 ( 0.940 2.198 -1.101) 2.632 6.315 ( 9.972 6.804 -0.040) 12.072 6.564 ( 10.490 2.681 -0.018) 10.828 7.098 ( -11.107 -7.036 10.334) 16.723 7.428 ( -4.945 -10.422 1.580) 11.643 7.604 ( -7.456 5.247 -2.445) 9.440 7.932 ( 1.253 -5.178 0.565) 5.357 8.042 ( -2.743 5.864 -0.483) 6.492 8.239 ( 3.519 1.325 -14.326) 14.812 8.851 ( 9.182 3.679 -2.439) 10.188 9.220 ( 1.766 2.090 -1.407) 3.076 9.251 ( 4.753 1.740 0.237) 5.067 9.333 ( 3.103 0.986 -5.117) 6.065 9.990 ( -6.467 -2.515 5.704) 8.982 10.084 ( -2.540 -0.098 3.595) 4.403 10.360 ( 3.033 -0.077 0.776) 3.132 10.586 ( 1.511 -0.527 4.100) 4.402 10.617 ( 1.357 -0.023 -1.185) 1.802 10.857 ( -4.181 -2.059 2.641) 5.357 10.977 ( 0.152 -1.505 -0.776) 1.700 11.034 ( 3.777 0.640 -1.032) 3.968 11.232 ( 1.900 4.978 -5.183) 7.433 11.804 ( -2.151 1.019 5.968) 6.425 11.932 ( 0.670 0.342 -2.179) 2.305 12.569 ( 4.832 1.677 -1.648) 5.374 12.750 ( 0.979 -1.530 5.162) 5.472 12.980 ( 6.626 4.632 -8.936) 12.051 13.727 ( -9.399 -6.702 7.045) 13.524 13.991 ( 8.687 -0.264 1.104) 8.761 14.138 ( 2.134 11.113 -8.904) 14.399 14.843 ( -4.116 -6.185 -1.130) 7.515 15.209 ( 9.107 7.490 8.684) 14.644 15.827 ( 4.993 4.082 1.932) 6.732 16.219 ( -5.762 -5.895 -11.318) 14.002 17.364 ( -3.353 -1.978 2.704) 4.739 18.029 ( -9.914 -2.826 9.363) 13.926 18.188 ( -3.387 -3.800 0.453) 5.111 18.893 ( 0.960 -7.372 11.533) 13.721 19.192 ( -1.023 7.003 -14.425) 16.068 21.523 ( 1.812 1.013 -0.453) 2.124 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.679 -9.359 7.040) 11.731 2.643 ( -2.010 -0.600 -0.897) 2.282 2.760 ( 2.719 5.582 -6.364) 8.891 3.268 ( -0.223 -3.582 1.835) 4.030 3.373 ( -7.984 -16.957 0.295) 18.745 3.470 ( 8.153 -9.085 2.167) 12.398 3.672 ( 0.105 1.486 -1.791) 2.329 4.125 ( 2.478 3.396 8.468) 9.454 4.224 ( -2.287 9.505 -0.965) 9.824 4.293 ( 3.854 -2.959 -0.058) 4.859 4.416 ( -2.081 2.992 3.069) 4.765 4.637 ( -1.250 -9.060 -3.605) 9.831 4.886 ( -7.939 5.241 -8.805) 12.963 4.987 ( 7.501 6.471 -0.656) 9.928 5.438 ( -2.731 -3.699 1.061) 4.719 5.526 ( 2.511 5.877 -1.855) 6.655 6.082 ( -1.691 -2.978 -1.327) 3.673 6.159 ( 2.456 5.963 -1.596) 6.644 6.231 ( -0.120 2.303 -0.037) 2.306 6.442 ( -1.090 7.734 -1.245) 7.909 7.274 ( -1.103 -2.523 11.298) 11.629 7.541 ( 1.489 -12.091 2.433) 12.423 7.657 ( -0.538 -0.828 1.512) 1.806 7.925 ( -0.637 -0.564 -2.377) 2.525 8.096 ( 3.485 -2.802 -5.751) 7.285 8.164 ( -2.149 -0.594 -9.648) 9.903 8.704 ( -0.496 10.034 -2.816) 10.434 9.181 ( 0.083 -0.413 -0.391) 0.575 9.213 ( -0.014 0.633 -3.057) 3.122 9.289 ( -0.099 5.030 -5.581) 7.514 10.085 ( -1.079 -1.252 3.228) 3.627 10.092 ( 1.971 0.015 2.984) 3.576 10.346 ( -1.303 -0.580 2.302) 2.708 10.557 ( -0.264 -3.118 4.531) 5.507 10.618 ( 1.461 1.013 3.670) 4.078 10.885 ( -1.773 -1.227 8.538) 8.806 10.976 ( -0.307 1.406 -1.326) 1.957 10.990 ( -0.135 1.760 -2.030) 2.690 11.221 ( 1.396 1.413 -14.000) 14.140 11.831 ( 0.931 -2.615 6.062) 6.667 11.897 ( -0.482 1.107 1.936) 2.282 12.521 ( -0.342 1.436 -1.476) 2.087 12.766 ( -0.655 1.508 0.500) 1.719 12.847 ( 0.482 5.789 -5.808) 8.214 13.871 ( -3.380 0.873 -2.008) 4.027 13.925 ( 0.970 4.629 -5.743) 7.440 14.077 ( 3.386 -7.920 7.639) 11.513 14.895 ( -2.625 -6.200 1.855) 6.983 15.077 ( 2.181 13.446 0.535) 13.632 15.731 ( -0.112 4.509 2.189) 5.014 16.321 ( -0.381 -5.849 -8.767) 10.546 17.410 ( -0.022 -2.346 2.479) 3.413 18.144 ( 1.085 -5.302 9.351) 10.804 18.243 ( -0.714 0.575 4.836) 4.923 18.913 ( -2.455 -10.937 3.900) 11.868 19.170 ( 2.252 7.844 -9.563) 12.572 21.498 ( -0.010 1.199 -0.602) 1.342 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -2.002 -4.258 2.932) 5.544 2.604 ( -4.430 -4.356 1.754) 6.456 2.708 ( 2.364 1.686 -4.484) 5.342 3.141 ( -10.021 -17.200 3.249) 20.170 3.235 ( -3.471 -4.721 0.069) 5.860 3.407 ( -4.094 -8.854 -2.902) 10.177 3.664 ( 0.225 0.181 -0.755) 0.808 4.219 ( -1.857 -0.836 -0.185) 2.045 4.252 ( 0.858 2.187 -6.667) 7.069 4.331 ( 3.119 4.816 -0.567) 5.766 4.375 ( 2.535 0.896 3.829) 4.679 4.648 ( -2.139 -3.004 3.916) 5.379 4.834 ( 2.669 6.354 3.026) 7.527 5.078 ( 3.151 5.265 -3.725) 7.178 5.406 ( -1.786 -4.542 2.138) 5.329 5.582 ( 4.314 7.967 -1.774) 9.232 6.032 ( -2.515 -5.676 0.947) 6.280 6.229 ( 2.675 4.560 -0.456) 5.307 6.268 ( 3.339 8.014 -1.396) 8.793 6.532 ( 5.939 9.706 1.634) 11.496 7.278 ( -2.885 -9.320 1.208) 9.831 7.413 ( -10.272 -10.027 0.984) 14.388 7.634 ( 0.196 -3.425 -2.809) 4.434 7.934 ( -0.881 0.448 1.998) 2.229 8.056 ( 2.340 -2.900 -2.950) 4.753 8.082 ( -1.106 3.012 0.647) 3.273 8.798 ( 5.440 9.697 0.722) 11.142 9.194 ( 1.366 1.019 -1.245) 2.111 9.243 ( 0.018 4.033 1.288) 4.234 9.275 ( 3.927 4.250 0.159) 5.789 10.069 ( -1.743 -3.791 -0.506) 4.203 10.116 ( -0.410 -0.216 -0.774) 0.902 10.358 ( -0.050 -0.324 1.435) 1.472 10.571 ( -0.593 -1.204 2.062) 2.460 10.635 ( -1.183 -0.119 -2.436) 2.710 10.894 ( -4.233 -7.647 -1.081) 8.807 10.980 ( 0.164 1.449 0.880) 1.703 11.002 ( 2.472 1.014 3.902) 4.729 11.186 ( 4.789 9.578 -3.332) 11.215 11.871 ( -1.587 -1.963 -3.222) 4.093 11.894 ( 0.420 -0.300 2.261) 2.319 12.537 ( 1.656 3.080 0.509) 3.534 12.809 ( 1.281 1.867 2.876) 3.661 12.861 ( 3.397 6.382 -2.441) 7.630 13.865 ( 1.387 0.987 2.441) 2.976 13.908 ( -1.729 -3.360 2.626) 4.602 14.077 ( 0.889 3.090 -6.557) 7.303 14.850 ( -3.490 -5.722 1.893) 6.964 15.236 ( 8.131 13.839 -1.109) 16.089 15.810 ( 3.151 5.147 -0.509) 6.056 16.169 ( -5.006 -8.391 1.153) 9.838 17.398 ( -1.741 -2.941 -0.020) 3.417 18.156 ( -3.769 -8.202 -3.216) 9.582 18.203 ( -3.067 -3.935 2.746) 5.695 18.954 ( -3.200 -4.156 8.029) 9.591 19.094 ( 3.023 3.996 -7.791) 9.263 21.511 ( 0.986 1.708 0.016) 1.972 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.671 ( -0.000 0.000 0.000) 0.000 3.308 ( -0.000 0.000 0.000) 0.000 3.571 ( 0.000 -0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.583 ( -0.000 0.000 0.000) 0.000 4.131 ( -0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.687 ( -0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.476 ( -0.000 0.000 0.000) 0.000 6.089 ( -0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.231 ( -0.000 0.000 0.000) 0.000 6.375 ( -0.000 0.000 0.000) 0.000 7.384 ( -0.000 0.000 0.000) 0.000 7.690 ( -0.000 0.000 -0.000) 0.000 7.690 ( -0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.079 ( -0.000 0.000 -0.000) 0.000 8.079 ( -0.000 0.000 0.000) 0.000 8.608 ( -0.000 0.000 0.000) 0.000 9.163 ( -0.000 0.000 0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 10.109 ( -0.000 0.000 0.000) 0.000 10.109 ( -0.000 0.000 0.000) 0.000 10.361 ( -0.000 0.000 0.000) 0.000 10.646 ( 0.000 0.000 -0.000) 0.000 10.646 ( -0.000 0.000 0.000) 0.000 10.953 ( -0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.988 ( -0.000 0.000 -0.000) 0.000 11.066 ( -0.000 0.000 0.000) 0.000 11.899 ( -0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.503 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 -0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.235 ( -0.000 0.000 0.000) 0.000 14.957 ( -0.000 0.000 0.000) 0.000 14.957 ( 0.000 0.000 0.000) 0.000 15.707 ( 0.000 0.000 0.000) 0.000 16.301 ( -0.000 0.000 0.000) 0.000 17.446 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 19.022 ( -0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 0.000) 0.000 21.484 ( -0.000 0.000 0.000) 0.000 =================== 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 3/29184 10.0 5017.491 5017.491 7069.085 0.000 -0.000 -0.000 3/29184 20.0 446.010 446.010 623.513 0.000 -0.000 -0.000 3/29184 30.0 139.327 139.327 211.918 0.000 -0.000 -0.000 3/29184 40.0 69.954 69.954 109.992 0.000 -0.000 -0.000 3/29184 50.0 43.604 43.604 69.153 0.000 -0.000 -0.000 3/29184 60.0 30.660 30.660 48.593 0.000 -0.000 -0.000 3/29184 70.0 23.245 23.245 36.694 0.000 -0.000 -0.000 3/29184 80.0 18.546 18.546 29.125 0.000 -0.000 -0.000 3/29184 90.0 15.349 15.349 23.973 0.000 -0.000 -0.000 3/29184 100.0 13.056 13.056 20.283 0.000 -0.000 -0.000 3/29184 110.0 11.344 11.344 17.532 0.000 -0.000 -0.000 3/29184 120.0 10.023 10.023 15.416 0.000 -0.000 -0.000 3/29184 130.0 8.977 8.977 13.745 0.000 -0.000 -0.000 3/29184 140.0 8.131 8.131 12.396 0.000 -0.000 -0.000 3/29184 150.0 7.433 7.433 11.287 0.000 -0.000 -0.000 3/29184 160.0 6.848 6.848 10.361 0.000 -0.000 -0.000 3/29184 170.0 6.350 6.350 9.577 0.000 -0.000 -0.000 3/29184 180.0 5.923 5.923 8.905 0.000 -0.000 -0.000 3/29184 190.0 5.552 5.552 8.323 0.000 -0.000 -0.000 3/29184 200.0 5.226 5.226 7.814 0.000 -0.000 -0.000 3/29184 210.0 4.938 4.938 7.366 0.000 -0.000 -0.000 3/29184 220.0 4.681 4.681 6.968 0.000 -0.000 -0.000 3/29184 230.0 4.450 4.450 6.612 0.000 -0.000 -0.000 3/29184 240.0 4.243 4.243 6.291 0.000 -0.000 -0.000 3/29184 250.0 4.054 4.054 6.002 0.000 -0.000 -0.000 3/29184 260.0 3.882 3.882 5.738 0.000 -0.000 -0.000 3/29184 270.0 3.725 3.725 5.498 0.000 -0.000 -0.000 3/29184 280.0 3.580 3.580 5.278 0.000 -0.000 -0.000 3/29184 290.0 3.447 3.447 5.075 0.000 -0.000 -0.000 3/29184 300.0 3.323 3.323 4.888 0.000 -0.000 -0.000 3/29184 310.0 3.209 3.209 4.714 0.000 -0.000 -0.000 3/29184 320.0 3.102 3.102 4.553 0.000 -0.000 -0.000 3/29184 330.0 3.002 3.002 4.403 0.000 -0.000 -0.000 3/29184 340.0 2.909 2.909 4.262 0.000 -0.000 -0.000 3/29184 350.0 2.821 2.821 4.131 0.000 -0.000 -0.000 3/29184 360.0 2.739 2.739 4.007 0.000 -0.000 -0.000 3/29184 370.0 2.662 2.662 3.891 0.000 -0.000 -0.000 3/29184 380.0 2.588 2.588 3.782 0.000 -0.000 -0.000 3/29184 390.0 2.519 2.519 3.679 0.000 -0.000 -0.000 3/29184 400.0 2.454 2.454 3.581 0.000 -0.000 -0.000 3/29184 410.0 2.392 2.392 3.489 0.000 -0.000 -0.000 3/29184 420.0 2.333 2.333 3.401 0.000 -0.000 -0.000 3/29184 430.0 2.277 2.277 3.318 0.000 -0.000 -0.000 3/29184 440.0 2.223 2.223 3.239 0.000 -0.000 -0.000 3/29184 450.0 2.172 2.172 3.163 0.000 -0.000 -0.000 3/29184 460.0 2.124 2.124 3.092 0.000 -0.000 -0.000 3/29184 470.0 2.077 2.077 3.023 0.000 -0.000 -0.000 3/29184 480.0 2.033 2.033 2.957 0.000 -0.000 -0.000 3/29184 490.0 1.990 1.990 2.895 0.000 -0.000 -0.000 3/29184 500.0 1.950 1.950 2.834 0.000 -0.000 -0.000 3/29184 510.0 1.910 1.910 2.777 0.000 -0.000 -0.000 3/29184 520.0 1.873 1.873 2.721 0.000 -0.000 -0.000 3/29184 530.0 1.837 1.837 2.668 0.000 -0.000 -0.000 3/29184 540.0 1.802 1.802 2.617 0.000 -0.000 -0.000 3/29184 550.0 1.769 1.769 2.568 0.000 -0.000 -0.000 3/29184 560.0 1.737 1.737 2.521 0.000 -0.000 -0.000 3/29184 570.0 1.706 1.706 2.475 0.000 -0.000 -0.000 3/29184 580.0 1.676 1.676 2.432 0.000 -0.000 -0.000 3/29184 590.0 1.647 1.647 2.389 0.000 -0.000 -0.000 3/29184 600.0 1.619 1.619 2.348 0.000 -0.000 -0.000 3/29184 610.0 1.592 1.592 2.309 0.000 -0.000 -0.000 3/29184 620.0 1.566 1.566 2.271 0.000 -0.000 -0.000 3/29184 630.0 1.541 1.541 2.234 0.000 -0.000 -0.000 3/29184 640.0 1.516 1.516 2.198 0.000 -0.000 -0.000 3/29184 650.0 1.493 1.493 2.163 0.000 -0.000 -0.000 3/29184 660.0 1.470 1.470 2.130 0.000 -0.000 -0.000 3/29184 670.0 1.447 1.447 2.097 0.000 -0.000 -0.000 3/29184 680.0 1.426 1.426 2.066 0.000 -0.000 -0.000 3/29184 690.0 1.405 1.405 2.035 0.000 -0.000 -0.000 3/29184 700.0 1.385 1.385 2.006 0.000 -0.000 -0.000 3/29184 710.0 1.365 1.365 1.977 0.000 -0.000 -0.000 3/29184 720.0 1.346 1.346 1.949 0.000 -0.000 -0.000 3/29184 730.0 1.327 1.327 1.922 0.000 -0.000 -0.000 3/29184 740.0 1.309 1.309 1.895 0.000 -0.000 -0.000 3/29184 750.0 1.291 1.291 1.870 0.000 -0.000 -0.000 3/29184 760.0 1.274 1.274 1.845 0.000 -0.000 -0.000 3/29184 770.0 1.258 1.258 1.820 0.000 -0.000 -0.000 3/29184 780.0 1.241 1.241 1.797 0.000 -0.000 -0.000 3/29184 790.0 1.225 1.225 1.774 0.000 -0.000 -0.000 3/29184 800.0 1.210 1.210 1.751 0.000 -0.000 -0.000 3/29184 810.0 1.195 1.195 1.729 0.000 -0.000 -0.000 3/29184 820.0 1.180 1.180 1.708 0.000 -0.000 -0.000 3/29184 830.0 1.166 1.166 1.687 0.000 -0.000 -0.000 3/29184 840.0 1.152 1.152 1.667 0.000 -0.000 -0.000 3/29184 850.0 1.138 1.138 1.647 0.000 -0.000 -0.000 3/29184 860.0 1.125 1.125 1.627 0.000 -0.000 -0.000 3/29184 870.0 1.112 1.112 1.608 0.000 -0.000 -0.000 3/29184 880.0 1.099 1.099 1.590 0.000 -0.000 -0.000 3/29184 890.0 1.087 1.087 1.572 0.000 -0.000 -0.000 3/29184 900.0 1.075 1.075 1.554 0.000 -0.000 -0.000 3/29184 910.0 1.063 1.063 1.537 0.000 -0.000 -0.000 3/29184 920.0 1.051 1.051 1.520 0.000 -0.000 -0.000 3/29184 930.0 1.040 1.040 1.503 0.000 -0.000 -0.000 3/29184 940.0 1.029 1.029 1.487 0.000 -0.000 -0.000 3/29184 950.0 1.018 1.018 1.471 0.000 -0.000 -0.000 3/29184 960.0 1.007 1.007 1.456 0.000 -0.000 -0.000 3/29184 970.0 0.997 0.997 1.441 0.000 -0.000 -0.000 3/29184 980.0 0.986 0.986 1.426 0.000 -0.000 -0.000 3/29184 990.0 0.976 0.976 1.411 0.000 -0.000 -0.000 3/29184 1000.0 0.967 0.967 1.397 0.000 -0.000 -0.000 3/29184 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:32:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|