----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:33:19]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.167858610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.141553050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): *1 O 0.77086510442382 0.42683238269393 0.53328006923825 15.999 2 O 0.77086510442382 0.07316761730607 0.46671993076175 15.999 3 O 0.22913489557618 0.92683238269393 0.96671993076175 15.999 4 O 0.22913489557618 0.57316761730607 0.03328006923825 15.999 5 O 0.22913489557618 0.57316761730607 0.46671993076175 15.999 6 O 0.22913489557618 0.92683238269393 0.53328006923825 15.999 7 O 0.77086510442382 0.07316761730607 0.03328006923825 15.999 8 O 0.77086510442382 0.42683238269393 0.96671993076175 15.999 *9 O 0.55169728996586 0.73546857812157 0.61866368180299 15.999 10 O 0.55169728996586 0.73546857812157 0.88133631819701 15.999 11 O 0.44830271003414 0.23546857812157 0.88133631819701 15.999 12 O 0.44830271003414 0.26453142187843 0.11866368180299 15.999 13 O 0.44830271003414 0.26453142187843 0.38133631819701 15.999 14 O 0.44830271003414 0.23546857812157 0.61866368180299 15.999 15 O 0.55169728996586 0.76453142187843 0.11866368180299 15.999 16 O 0.55169728996586 0.76453142187843 0.38133631819701 15.999 *17 Si 0.61170153138919 0.25000000000000 0.00000000000000 28.085 18 Si 0.38829846861081 0.75000000000000 0.00000000000000 28.085 19 Si 0.38829846861081 0.75000000000000 0.50000000000000 28.085 20 Si 0.61170153138919 0.25000000000000 0.50000000000000 28.085 *21 Se 0.08185890585648 0.89121646957817 0.25000000000000 78.960 22 Se 0.08185890585648 0.60878353042183 0.75000000000000 78.960 23 Se 0.91814109414352 0.39121646957817 0.25000000000000 78.960 24 Se 0.91814109414352 0.10878353042183 0.75000000000000 78.960 *25 Nd 0.10719294827648 0.25000000000000 0.00000000000000 144.242 26 Nd 0.10719294827648 0.25000000000000 0.50000000000000 144.242 27 Nd 0.89280705172352 0.75000000000000 0.00000000000000 144.242 28 Nd 0.89280705172352 0.75000000000000 0.50000000000000 144.242 *29 Nd 0.37096265906148 0.53439387507123 0.25000000000000 144.242 30 Nd 0.37096265906148 0.96560612492877 0.75000000000000 144.242 31 Nd 0.62903734093852 0.03439387507123 0.25000000000000 144.242 32 Nd 0.62903734093852 0.46560612492877 0.75000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.167858610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.141553050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): *1 O 0.77086510442382 0.42683238269393 0.53328006923825 15.999 > 1 2 O 0.77086510442382 0.07316761730607 0.46671993076175 15.999 > 2 3 O 0.22913489557618 0.92683238269393 0.96671993076175 15.999 > 3 4 O 0.22913489557618 0.57316761730607 0.03328006923825 15.999 > 4 5 O 0.22913489557618 0.57316761730607 0.46671993076175 15.999 > 5 6 O 0.22913489557618 0.92683238269393 0.53328006923825 15.999 > 6 7 O 0.77086510442382 0.07316761730607 0.03328006923825 15.999 > 7 8 O 0.77086510442382 0.42683238269393 0.96671993076175 15.999 > 8 *9 O 0.55169728996586 0.73546857812157 0.61866368180299 15.999 > 9 10 O 0.55169728996586 0.73546857812157 0.88133631819701 15.999 > 10 11 O 0.44830271003414 0.23546857812157 0.88133631819701 15.999 > 11 12 O 0.44830271003414 0.26453142187843 0.11866368180299 15.999 > 12 13 O 0.44830271003414 0.26453142187843 0.38133631819701 15.999 > 13 14 O 0.44830271003414 0.23546857812157 0.61866368180299 15.999 > 14 15 O 0.55169728996586 0.76453142187843 0.11866368180299 15.999 > 15 16 O 0.55169728996586 0.76453142187843 0.38133631819701 15.999 > 16 *17 Si 0.61170153138919 0.25000000000000 0.00000000000000 28.085 > 17 18 Si 0.38829846861081 0.75000000000000 0.00000000000000 28.085 > 18 19 Si 0.38829846861081 0.75000000000000 0.50000000000000 28.085 > 19 20 Si 0.61170153138919 0.25000000000000 0.50000000000000 28.085 > 20 *21 Se 0.08185890585648 0.89121646957817 0.25000000000000 78.960 > 21 22 Se 0.08185890585648 0.60878353042183 0.75000000000000 78.960 > 22 23 Se 0.91814109414352 0.39121646957817 0.25000000000000 78.960 > 23 24 Se 0.91814109414352 0.10878353042183 0.75000000000000 78.960 > 24 *25 Nd 0.10719294827648 0.25000000000000 0.00000000000000 144.242 > 25 26 Nd 0.10719294827648 0.25000000000000 0.50000000000000 144.242 > 26 27 Nd 0.89280705172352 0.75000000000000 0.00000000000000 144.242 > 27 28 Nd 0.89280705172352 0.75000000000000 0.50000000000000 144.242 > 28 *29 Nd 0.37096265906148 0.53439387507123 0.25000000000000 144.242 > 29 30 Nd 0.37096265906148 0.96560612492877 0.75000000000000 144.242 > 30 31 Nd 0.62903734093852 0.03439387507123 0.25000000000000 144.242 > 31 32 Nd 0.62903734093852 0.46560612492877 0.75000000000000 144.242 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.335717219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.283106100000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): *1 O 0.38543255221191 0.21341619134697 0.53328006923825 15.999 > 1 2 O 0.88543255221191 0.21341619134697 0.53328006923825 15.999 > 1 3 O 0.38543255221191 0.71341619134697 0.53328006923825 15.999 > 1 4 O 0.88543255221191 0.71341619134697 0.53328006923825 15.999 > 1 5 O 0.38543255221191 0.03658380865303 0.46671993076175 15.999 > 2 6 O 0.88543255221191 0.03658380865303 0.46671993076175 15.999 > 2 7 O 0.38543255221191 0.53658380865303 0.46671993076175 15.999 > 2 8 O 0.88543255221191 0.53658380865303 0.46671993076175 15.999 > 2 9 O 0.11456744778809 0.46341619134697 0.96671993076175 15.999 > 3 10 O 0.61456744778809 0.46341619134697 0.96671993076175 15.999 > 3 11 O 0.11456744778809 0.96341619134697 0.96671993076175 15.999 > 3 12 O 0.61456744778809 0.96341619134697 0.96671993076175 15.999 > 3 13 O 0.11456744778809 0.28658380865303 0.03328006923825 15.999 > 4 14 O 0.61456744778809 0.28658380865303 0.03328006923825 15.999 > 4 15 O 0.11456744778809 0.78658380865303 0.03328006923825 15.999 > 4 16 O 0.61456744778809 0.78658380865303 0.03328006923825 15.999 > 4 17 O 0.11456744778809 0.28658380865303 0.46671993076175 15.999 > 5 18 O 0.61456744778809 0.28658380865303 0.46671993076175 15.999 > 5 19 O 0.11456744778809 0.78658380865303 0.46671993076175 15.999 > 5 20 O 0.61456744778809 0.78658380865303 0.46671993076175 15.999 > 5 21 O 0.11456744778809 0.46341619134697 0.53328006923825 15.999 > 6 22 O 0.61456744778809 0.46341619134697 0.53328006923825 15.999 > 6 23 O 0.11456744778809 0.96341619134697 0.53328006923825 15.999 > 6 24 O 0.61456744778809 0.96341619134697 0.53328006923825 15.999 > 6 25 O 0.38543255221191 0.03658380865303 0.03328006923825 15.999 > 7 26 O 0.88543255221191 0.03658380865303 0.03328006923825 15.999 > 7 27 O 0.38543255221191 0.53658380865303 0.03328006923825 15.999 > 7 28 O 0.88543255221191 0.53658380865303 0.03328006923825 15.999 > 7 29 O 0.38543255221191 0.21341619134697 0.96671993076175 15.999 > 8 30 O 0.88543255221191 0.21341619134697 0.96671993076175 15.999 > 8 31 O 0.38543255221191 0.71341619134697 0.96671993076175 15.999 > 8 32 O 0.88543255221191 0.71341619134697 0.96671993076175 15.999 > 8 *33 O 0.27584864498293 0.36773428906078 0.61866368180299 15.999 > 9 34 O 0.77584864498293 0.36773428906078 0.61866368180299 15.999 > 9 35 O 0.27584864498293 0.86773428906078 0.61866368180299 15.999 > 9 36 O 0.77584864498293 0.86773428906078 0.61866368180299 15.999 > 9 37 O 0.27584864498293 0.36773428906078 0.88133631819701 15.999 > 10 38 O 0.77584864498293 0.36773428906078 0.88133631819701 15.999 > 10 39 O 0.27584864498293 0.86773428906078 0.88133631819701 15.999 > 10 40 O 0.77584864498293 0.86773428906078 0.88133631819701 15.999 > 10 41 O 0.22415135501707 0.11773428906078 0.88133631819701 15.999 > 11 42 O 0.72415135501707 0.11773428906078 0.88133631819701 15.999 > 11 43 O 0.22415135501707 0.61773428906078 0.88133631819701 15.999 > 11 44 O 0.72415135501707 0.61773428906078 0.88133631819701 15.999 > 11 45 O 0.22415135501707 0.13226571093922 0.11866368180299 15.999 > 12 46 O 0.72415135501707 0.13226571093922 0.11866368180299 15.999 > 12 47 O 0.22415135501707 0.63226571093922 0.11866368180299 15.999 > 12 48 O 0.72415135501707 0.63226571093922 0.11866368180299 15.999 > 12 49 O 0.22415135501707 0.13226571093922 0.38133631819701 15.999 > 13 50 O 0.72415135501707 0.13226571093922 0.38133631819701 15.999 > 13 51 O 0.22415135501707 0.63226571093922 0.38133631819701 15.999 > 13 52 O 0.72415135501707 0.63226571093922 0.38133631819701 15.999 > 13 53 O 0.22415135501707 0.11773428906078 0.61866368180299 15.999 > 14 54 O 0.72415135501707 0.11773428906078 0.61866368180299 15.999 > 14 55 O 0.22415135501707 0.61773428906078 0.61866368180299 15.999 > 14 56 O 0.72415135501707 0.61773428906078 0.61866368180299 15.999 > 14 57 O 0.27584864498293 0.38226571093922 0.11866368180299 15.999 > 15 58 O 0.77584864498293 0.38226571093922 0.11866368180299 15.999 > 15 59 O 0.27584864498293 0.88226571093922 0.11866368180299 15.999 > 15 60 O 0.77584864498293 0.88226571093922 0.11866368180299 15.999 > 15 61 O 0.27584864498293 0.38226571093922 0.38133631819701 15.999 > 16 62 O 0.77584864498293 0.38226571093922 0.38133631819701 15.999 > 16 63 O 0.27584864498293 0.88226571093922 0.38133631819701 15.999 > 16 64 O 0.77584864498293 0.88226571093922 0.38133631819701 15.999 > 16 *65 Si 0.30585076569459 0.12500000000000 0.00000000000000 28.085 > 17 66 Si 0.80585076569459 0.12500000000000 0.00000000000000 28.085 > 17 67 Si 0.30585076569459 0.62500000000000 0.00000000000000 28.085 > 17 68 Si 0.80585076569459 0.62500000000000 0.00000000000000 28.085 > 17 69 Si 0.19414923430541 0.37500000000000 0.00000000000000 28.085 > 18 70 Si 0.69414923430541 0.37500000000000 0.00000000000000 28.085 > 18 71 Si 0.19414923430541 0.87500000000000 0.00000000000000 28.085 > 18 72 Si 0.69414923430541 0.87500000000000 0.00000000000000 28.085 > 18 73 Si 0.19414923430541 0.37500000000000 0.50000000000000 28.085 > 19 74 Si 0.69414923430541 0.37500000000000 0.50000000000000 28.085 > 19 75 Si 0.19414923430541 0.87500000000000 0.50000000000000 28.085 > 19 76 Si 0.69414923430541 0.87500000000000 0.50000000000000 28.085 > 19 77 Si 0.30585076569459 0.12500000000000 0.50000000000000 28.085 > 20 78 Si 0.80585076569459 0.12500000000000 0.50000000000000 28.085 > 20 79 Si 0.30585076569459 0.62500000000000 0.50000000000000 28.085 > 20 80 Si 0.80585076569459 0.62500000000000 0.50000000000000 28.085 > 20 *81 Se 0.04092945292824 0.44560823478909 0.25000000000000 78.960 > 21 82 Se 0.54092945292824 0.44560823478909 0.25000000000000 78.960 > 21 83 Se 0.04092945292824 0.94560823478909 0.25000000000000 78.960 > 21 84 Se 0.54092945292824 0.94560823478909 0.25000000000000 78.960 > 21 85 Se 0.04092945292824 0.30439176521091 0.75000000000000 78.960 > 22 86 Se 0.54092945292824 0.30439176521091 0.75000000000000 78.960 > 22 87 Se 0.04092945292824 0.80439176521091 0.75000000000000 78.960 > 22 88 Se 0.54092945292824 0.80439176521091 0.75000000000000 78.960 > 22 89 Se 0.45907054707176 0.19560823478909 0.25000000000000 78.960 > 23 90 Se 0.95907054707176 0.19560823478909 0.25000000000000 78.960 > 23 91 Se 0.45907054707176 0.69560823478909 0.25000000000000 78.960 > 23 92 Se 0.95907054707176 0.69560823478909 0.25000000000000 78.960 > 23 93 Se 0.45907054707176 0.05439176521091 0.75000000000000 78.960 > 24 94 Se 0.95907054707176 0.05439176521091 0.75000000000000 78.960 > 24 95 Se 0.45907054707176 0.55439176521091 0.75000000000000 78.960 > 24 96 Se 0.95907054707176 0.55439176521091 0.75000000000000 78.960 > 24 *97 Nd 0.05359647413824 0.12500000000000 0.00000000000000 144.242 > 25 98 Nd 0.55359647413824 0.12500000000000 0.00000000000000 144.242 > 25 99 Nd 0.05359647413824 0.62500000000000 0.00000000000000 144.242 > 25 100 Nd 0.55359647413824 0.62500000000000 0.00000000000000 144.242 > 25 101 Nd 0.05359647413824 0.12500000000000 0.50000000000000 144.242 > 26 102 Nd 0.55359647413824 0.12500000000000 0.50000000000000 144.242 > 26 103 Nd 0.05359647413824 0.62500000000000 0.50000000000000 144.242 > 26 104 Nd 0.55359647413824 0.62500000000000 0.50000000000000 144.242 > 26 105 Nd 0.44640352586176 0.37500000000000 0.00000000000000 144.242 > 27 106 Nd 0.94640352586176 0.37500000000000 0.00000000000000 144.242 > 27 107 Nd 0.44640352586176 0.87500000000000 0.00000000000000 144.242 > 27 108 Nd 0.94640352586176 0.87500000000000 0.00000000000000 144.242 > 27 109 Nd 0.44640352586176 0.37500000000000 0.50000000000000 144.242 > 28 110 Nd 0.94640352586176 0.37500000000000 0.50000000000000 144.242 > 28 111 Nd 0.44640352586176 0.87500000000000 0.50000000000000 144.242 > 28 112 Nd 0.94640352586176 0.87500000000000 0.50000000000000 144.242 > 28 *113 Nd 0.18548132953074 0.26719693753561 0.25000000000000 144.242 > 29 114 Nd 0.68548132953074 0.26719693753561 0.25000000000000 144.242 > 29 115 Nd 0.18548132953074 0.76719693753561 0.25000000000000 144.242 > 29 116 Nd 0.68548132953074 0.76719693753561 0.25000000000000 144.242 > 29 117 Nd 0.18548132953074 0.48280306246439 0.75000000000000 144.242 > 30 118 Nd 0.68548132953074 0.48280306246439 0.75000000000000 144.242 > 30 119 Nd 0.18548132953074 0.98280306246439 0.75000000000000 144.242 > 30 120 Nd 0.68548132953074 0.98280306246439 0.75000000000000 144.242 > 30 121 Nd 0.31451867046926 0.01719693753561 0.25000000000000 144.242 > 31 122 Nd 0.81451867046926 0.01719693753561 0.25000000000000 144.242 > 31 123 Nd 0.31451867046926 0.51719693753561 0.25000000000000 144.242 > 31 124 Nd 0.81451867046926 0.51719693753561 0.25000000000000 144.242 > 31 125 Nd 0.31451867046926 0.23280306246439 0.75000000000000 144.242 > 32 126 Nd 0.81451867046926 0.23280306246439 0.75000000000000 144.242 > 32 127 Nd 0.31451867046926 0.73280306246439 0.75000000000000 144.242 > 32 128 Nd 0.81451867046926 0.73280306246439 0.75000000000000 144.242 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3487862 0.0000000 0.0000000 0.0000000 5.5533555 0.0000000 0.0000000 0.0000000 5.4109502 -------------------------- Born effective charges -------------------------- 1 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 2 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 3 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 4 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 5 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 6 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 7 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 8 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 9 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 10 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 11 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 12 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 13 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 14 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 15 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 16 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 17 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 18 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 19 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 20 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 21 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 22 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 23 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 24 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 25 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 26 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 27 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 28 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 29 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 30 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 31 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 32 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.817 Solver_block: 200 / 480 - Time: 0.745 Solver_block: 300 / 480 - Time: 0.755 Solver_block: 400 / 480 - Time: 0.745 Solver_block: 480 / 480 - Time: 0.618 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.783 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:33:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:33:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.167858610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.141553050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): 1 O 0.77086510442382 0.42683238269393 0.53328006923825 15.999 2 O 0.77086510442382 0.07316761730607 0.46671993076175 15.999 3 O 0.22913489557618 0.92683238269393 0.96671993076175 15.999 4 O 0.22913489557618 0.57316761730607 0.03328006923825 15.999 5 O 0.22913489557618 0.57316761730607 0.46671993076175 15.999 6 O 0.22913489557618 0.92683238269393 0.53328006923825 15.999 7 O 0.77086510442382 0.07316761730607 0.03328006923825 15.999 8 O 0.77086510442382 0.42683238269393 0.96671993076175 15.999 9 O 0.55169728996586 0.73546857812157 0.61866368180299 15.999 10 O 0.55169728996586 0.73546857812157 0.88133631819701 15.999 11 O 0.44830271003414 0.23546857812157 0.88133631819701 15.999 12 O 0.44830271003414 0.26453142187843 0.11866368180299 15.999 13 O 0.44830271003414 0.26453142187843 0.38133631819701 15.999 14 O 0.44830271003414 0.23546857812157 0.61866368180299 15.999 15 O 0.55169728996586 0.76453142187843 0.11866368180299 15.999 16 O 0.55169728996586 0.76453142187843 0.38133631819701 15.999 17 Si 0.61170153138919 0.25000000000000 0.00000000000000 28.085 18 Si 0.38829846861081 0.75000000000000 0.00000000000000 28.085 19 Si 0.38829846861081 0.75000000000000 0.50000000000000 28.085 20 Si 0.61170153138919 0.25000000000000 0.50000000000000 28.085 21 Se 0.08185890585648 0.89121646957817 0.25000000000000 78.960 22 Se 0.08185890585648 0.60878353042183 0.75000000000000 78.960 23 Se 0.91814109414352 0.39121646957817 0.25000000000000 78.960 24 Se 0.91814109414352 0.10878353042183 0.75000000000000 78.960 25 Nd 0.10719294827648 0.25000000000000 0.00000000000000 144.242 26 Nd 0.10719294827648 0.25000000000000 0.50000000000000 144.242 27 Nd 0.89280705172352 0.75000000000000 0.00000000000000 144.242 28 Nd 0.89280705172352 0.75000000000000 0.50000000000000 144.242 29 Nd 0.37096265906148 0.53439387507123 0.25000000000000 144.242 30 Nd 0.37096265906148 0.96560612492877 0.75000000000000 144.242 31 Nd 0.62903734093852 0.03439387507123 0.25000000000000 144.242 32 Nd 0.62903734093852 0.46560612492877 0.75000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.335717219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.283106100000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): 1 O 0.38543255221191 0.21341619134697 0.53328006923825 15.999 > 1 2 O 0.88543255221191 0.21341619134697 0.53328006923825 15.999 > 1 3 O 0.38543255221191 0.71341619134697 0.53328006923825 15.999 > 1 4 O 0.88543255221191 0.71341619134697 0.53328006923825 15.999 > 1 5 O 0.38543255221191 0.03658380865303 0.46671993076175 15.999 > 5 6 O 0.88543255221191 0.03658380865303 0.46671993076175 15.999 > 5 7 O 0.38543255221191 0.53658380865303 0.46671993076175 15.999 > 5 8 O 0.88543255221191 0.53658380865303 0.46671993076175 15.999 > 5 9 O 0.11456744778809 0.46341619134697 0.96671993076175 15.999 > 9 10 O 0.61456744778809 0.46341619134697 0.96671993076175 15.999 > 9 11 O 0.11456744778809 0.96341619134697 0.96671993076175 15.999 > 9 12 O 0.61456744778809 0.96341619134697 0.96671993076175 15.999 > 9 13 O 0.11456744778809 0.28658380865303 0.03328006923825 15.999 > 13 14 O 0.61456744778809 0.28658380865303 0.03328006923825 15.999 > 13 15 O 0.11456744778809 0.78658380865303 0.03328006923825 15.999 > 13 16 O 0.61456744778809 0.78658380865303 0.03328006923825 15.999 > 13 17 O 0.11456744778809 0.28658380865303 0.46671993076175 15.999 > 17 18 O 0.61456744778809 0.28658380865303 0.46671993076175 15.999 > 17 19 O 0.11456744778809 0.78658380865303 0.46671993076175 15.999 > 17 20 O 0.61456744778809 0.78658380865303 0.46671993076175 15.999 > 17 21 O 0.11456744778809 0.46341619134697 0.53328006923825 15.999 > 21 22 O 0.61456744778809 0.46341619134697 0.53328006923825 15.999 > 21 23 O 0.11456744778809 0.96341619134697 0.53328006923825 15.999 > 21 24 O 0.61456744778809 0.96341619134697 0.53328006923825 15.999 > 21 25 O 0.38543255221191 0.03658380865303 0.03328006923825 15.999 > 25 26 O 0.88543255221191 0.03658380865303 0.03328006923825 15.999 > 25 27 O 0.38543255221191 0.53658380865303 0.03328006923825 15.999 > 25 28 O 0.88543255221191 0.53658380865303 0.03328006923825 15.999 > 25 29 O 0.38543255221191 0.21341619134697 0.96671993076175 15.999 > 29 30 O 0.88543255221191 0.21341619134697 0.96671993076175 15.999 > 29 31 O 0.38543255221191 0.71341619134697 0.96671993076175 15.999 > 29 32 O 0.88543255221191 0.71341619134697 0.96671993076175 15.999 > 29 33 O 0.27584864498293 0.36773428906078 0.61866368180299 15.999 > 33 34 O 0.77584864498293 0.36773428906078 0.61866368180299 15.999 > 33 35 O 0.27584864498293 0.86773428906078 0.61866368180299 15.999 > 33 36 O 0.77584864498293 0.86773428906078 0.61866368180299 15.999 > 33 37 O 0.27584864498293 0.36773428906078 0.88133631819701 15.999 > 37 38 O 0.77584864498293 0.36773428906078 0.88133631819701 15.999 > 37 39 O 0.27584864498293 0.86773428906078 0.88133631819701 15.999 > 37 40 O 0.77584864498293 0.86773428906078 0.88133631819701 15.999 > 37 41 O 0.22415135501707 0.11773428906078 0.88133631819701 15.999 > 41 42 O 0.72415135501707 0.11773428906078 0.88133631819701 15.999 > 41 43 O 0.22415135501707 0.61773428906078 0.88133631819701 15.999 > 41 44 O 0.72415135501707 0.61773428906078 0.88133631819701 15.999 > 41 45 O 0.22415135501707 0.13226571093922 0.11866368180299 15.999 > 45 46 O 0.72415135501707 0.13226571093922 0.11866368180299 15.999 > 45 47 O 0.22415135501707 0.63226571093922 0.11866368180299 15.999 > 45 48 O 0.72415135501707 0.63226571093922 0.11866368180299 15.999 > 45 49 O 0.22415135501707 0.13226571093922 0.38133631819701 15.999 > 49 50 O 0.72415135501707 0.13226571093922 0.38133631819701 15.999 > 49 51 O 0.22415135501707 0.63226571093922 0.38133631819701 15.999 > 49 52 O 0.72415135501707 0.63226571093922 0.38133631819701 15.999 > 49 53 O 0.22415135501707 0.11773428906078 0.61866368180299 15.999 > 53 54 O 0.72415135501707 0.11773428906078 0.61866368180299 15.999 > 53 55 O 0.22415135501707 0.61773428906078 0.61866368180299 15.999 > 53 56 O 0.72415135501707 0.61773428906078 0.61866368180299 15.999 > 53 57 O 0.27584864498293 0.38226571093922 0.11866368180299 15.999 > 57 58 O 0.77584864498293 0.38226571093922 0.11866368180299 15.999 > 57 59 O 0.27584864498293 0.88226571093922 0.11866368180299 15.999 > 57 60 O 0.77584864498293 0.88226571093922 0.11866368180299 15.999 > 57 61 O 0.27584864498293 0.38226571093922 0.38133631819701 15.999 > 61 62 O 0.77584864498293 0.38226571093922 0.38133631819701 15.999 > 61 63 O 0.27584864498293 0.88226571093922 0.38133631819701 15.999 > 61 64 O 0.77584864498293 0.88226571093922 0.38133631819701 15.999 > 61 65 Si 0.30585076569459 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.80585076569459 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.30585076569459 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.80585076569459 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.19414923430541 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.69414923430541 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.19414923430541 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.69414923430541 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.19414923430541 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.69414923430541 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.19414923430541 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.69414923430541 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.30585076569459 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.80585076569459 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.30585076569459 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.80585076569459 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.04092945292824 0.44560823478909 0.25000000000000 78.960 > 81 82 Se 0.54092945292824 0.44560823478909 0.25000000000000 78.960 > 81 83 Se 0.04092945292824 0.94560823478909 0.25000000000000 78.960 > 81 84 Se 0.54092945292824 0.94560823478909 0.25000000000000 78.960 > 81 85 Se 0.04092945292824 0.30439176521091 0.75000000000000 78.960 > 85 86 Se 0.54092945292824 0.30439176521091 0.75000000000000 78.960 > 85 87 Se 0.04092945292824 0.80439176521091 0.75000000000000 78.960 > 85 88 Se 0.54092945292824 0.80439176521091 0.75000000000000 78.960 > 85 89 Se 0.45907054707176 0.19560823478909 0.25000000000000 78.960 > 89 90 Se 0.95907054707176 0.19560823478909 0.25000000000000 78.960 > 89 91 Se 0.45907054707176 0.69560823478909 0.25000000000000 78.960 > 89 92 Se 0.95907054707176 0.69560823478909 0.25000000000000 78.960 > 89 93 Se 0.45907054707176 0.05439176521091 0.75000000000000 78.960 > 93 94 Se 0.95907054707176 0.05439176521091 0.75000000000000 78.960 > 93 95 Se 0.45907054707176 0.55439176521091 0.75000000000000 78.960 > 93 96 Se 0.95907054707176 0.55439176521091 0.75000000000000 78.960 > 93 97 Nd 0.05359647413824 0.12500000000000 0.00000000000000 144.242 > 97 98 Nd 0.55359647413824 0.12500000000000 0.00000000000000 144.242 > 97 99 Nd 0.05359647413824 0.62500000000000 0.00000000000000 144.242 > 97 100 Nd 0.55359647413824 0.62500000000000 0.00000000000000 144.242 > 97 101 Nd 0.05359647413824 0.12500000000000 0.50000000000000 144.242 > 101 102 Nd 0.55359647413824 0.12500000000000 0.50000000000000 144.242 > 101 103 Nd 0.05359647413824 0.62500000000000 0.50000000000000 144.242 > 101 104 Nd 0.55359647413824 0.62500000000000 0.50000000000000 144.242 > 101 105 Nd 0.44640352586176 0.37500000000000 0.00000000000000 144.242 > 105 106 Nd 0.94640352586176 0.37500000000000 0.00000000000000 144.242 > 105 107 Nd 0.44640352586176 0.87500000000000 0.00000000000000 144.242 > 105 108 Nd 0.94640352586176 0.87500000000000 0.00000000000000 144.242 > 105 109 Nd 0.44640352586176 0.37500000000000 0.50000000000000 144.242 > 109 110 Nd 0.94640352586176 0.37500000000000 0.50000000000000 144.242 > 109 111 Nd 0.44640352586176 0.87500000000000 0.50000000000000 144.242 > 109 112 Nd 0.94640352586176 0.87500000000000 0.50000000000000 144.242 > 109 113 Nd 0.18548132953074 0.26719693753561 0.25000000000000 144.242 > 113 114 Nd 0.68548132953074 0.26719693753561 0.25000000000000 144.242 > 113 115 Nd 0.18548132953074 0.76719693753561 0.25000000000000 144.242 > 113 116 Nd 0.68548132953074 0.76719693753561 0.25000000000000 144.242 > 113 117 Nd 0.18548132953074 0.48280306246439 0.75000000000000 144.242 > 117 118 Nd 0.68548132953074 0.48280306246439 0.75000000000000 144.242 > 117 119 Nd 0.18548132953074 0.98280306246439 0.75000000000000 144.242 > 117 120 Nd 0.68548132953074 0.98280306246439 0.75000000000000 144.242 > 117 121 Nd 0.31451867046926 0.01719693753561 0.25000000000000 144.242 > 121 122 Nd 0.81451867046926 0.01719693753561 0.25000000000000 144.242 > 121 123 Nd 0.31451867046926 0.51719693753561 0.25000000000000 144.242 > 121 124 Nd 0.81451867046926 0.51719693753561 0.25000000000000 144.242 > 121 125 Nd 0.31451867046926 0.23280306246439 0.75000000000000 144.242 > 125 126 Nd 0.81451867046926 0.23280306246439 0.75000000000000 144.242 > 125 127 Nd 0.31451867046926 0.73280306246439 0.75000000000000 144.242 > 125 128 Nd 0.81451867046926 0.73280306246439 0.75000000000000 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3487862 0.0000000 0.0000000 0.0000000 5.5533555 0.0000000 0.0000000 0.0000000 5.4109502 -------------------------- Born effective charges -------------------------- 1 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 2 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 3 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 4 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 5 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 6 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 7 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 8 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 9 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 10 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 11 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 12 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 13 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 14 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 15 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 16 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 17 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 18 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 19 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 20 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 21 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 22 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 23 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 24 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 25 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 26 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 27 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 28 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 29 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 30 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 31 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 32 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 04:34:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:34:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.167858610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.141553050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): 1 O 0.77086510442382 0.42683238269393 0.53328006923825 15.999 2 O 0.77086510442382 0.07316761730607 0.46671993076175 15.999 3 O 0.22913489557618 0.92683238269393 0.96671993076175 15.999 4 O 0.22913489557618 0.57316761730607 0.03328006923825 15.999 5 O 0.22913489557618 0.57316761730607 0.46671993076175 15.999 6 O 0.22913489557618 0.92683238269393 0.53328006923825 15.999 7 O 0.77086510442382 0.07316761730607 0.03328006923825 15.999 8 O 0.77086510442382 0.42683238269393 0.96671993076175 15.999 9 O 0.55169728996586 0.73546857812157 0.61866368180299 15.999 10 O 0.55169728996586 0.73546857812157 0.88133631819701 15.999 11 O 0.44830271003414 0.23546857812157 0.88133631819701 15.999 12 O 0.44830271003414 0.26453142187843 0.11866368180299 15.999 13 O 0.44830271003414 0.26453142187843 0.38133631819701 15.999 14 O 0.44830271003414 0.23546857812157 0.61866368180299 15.999 15 O 0.55169728996586 0.76453142187843 0.11866368180299 15.999 16 O 0.55169728996586 0.76453142187843 0.38133631819701 15.999 17 Si 0.61170153138919 0.25000000000000 0.00000000000000 28.085 18 Si 0.38829846861081 0.75000000000000 0.00000000000000 28.085 19 Si 0.38829846861081 0.75000000000000 0.50000000000000 28.085 20 Si 0.61170153138919 0.25000000000000 0.50000000000000 28.085 21 Se 0.08185890585648 0.89121646957817 0.25000000000000 78.960 22 Se 0.08185890585648 0.60878353042183 0.75000000000000 78.960 23 Se 0.91814109414352 0.39121646957817 0.25000000000000 78.960 24 Se 0.91814109414352 0.10878353042183 0.75000000000000 78.960 25 Nd 0.10719294827648 0.25000000000000 0.00000000000000 144.242 26 Nd 0.10719294827648 0.25000000000000 0.50000000000000 144.242 27 Nd 0.89280705172352 0.75000000000000 0.00000000000000 144.242 28 Nd 0.89280705172352 0.75000000000000 0.50000000000000 144.242 29 Nd 0.37096265906148 0.53439387507123 0.25000000000000 144.242 30 Nd 0.37096265906148 0.96560612492877 0.75000000000000 144.242 31 Nd 0.62903734093852 0.03439387507123 0.25000000000000 144.242 32 Nd 0.62903734093852 0.46560612492877 0.75000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.335717219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.283106100000005 0.000000000000000 c 0.000000000000000 0.000000000000000 10.963938120000002 Atomic positions (fractional): 1 O 0.38543255221191 0.21341619134697 0.53328006923825 15.999 > 1 2 O 0.88543255221191 0.21341619134697 0.53328006923825 15.999 > 1 3 O 0.38543255221191 0.71341619134697 0.53328006923825 15.999 > 1 4 O 0.88543255221191 0.71341619134697 0.53328006923825 15.999 > 1 5 O 0.38543255221191 0.03658380865303 0.46671993076175 15.999 > 5 6 O 0.88543255221191 0.03658380865303 0.46671993076175 15.999 > 5 7 O 0.38543255221191 0.53658380865303 0.46671993076175 15.999 > 5 8 O 0.88543255221191 0.53658380865303 0.46671993076175 15.999 > 5 9 O 0.11456744778809 0.46341619134697 0.96671993076175 15.999 > 9 10 O 0.61456744778809 0.46341619134697 0.96671993076175 15.999 > 9 11 O 0.11456744778809 0.96341619134697 0.96671993076175 15.999 > 9 12 O 0.61456744778809 0.96341619134697 0.96671993076175 15.999 > 9 13 O 0.11456744778809 0.28658380865303 0.03328006923825 15.999 > 13 14 O 0.61456744778809 0.28658380865303 0.03328006923825 15.999 > 13 15 O 0.11456744778809 0.78658380865303 0.03328006923825 15.999 > 13 16 O 0.61456744778809 0.78658380865303 0.03328006923825 15.999 > 13 17 O 0.11456744778809 0.28658380865303 0.46671993076175 15.999 > 17 18 O 0.61456744778809 0.28658380865303 0.46671993076175 15.999 > 17 19 O 0.11456744778809 0.78658380865303 0.46671993076175 15.999 > 17 20 O 0.61456744778809 0.78658380865303 0.46671993076175 15.999 > 17 21 O 0.11456744778809 0.46341619134697 0.53328006923825 15.999 > 21 22 O 0.61456744778809 0.46341619134697 0.53328006923825 15.999 > 21 23 O 0.11456744778809 0.96341619134697 0.53328006923825 15.999 > 21 24 O 0.61456744778809 0.96341619134697 0.53328006923825 15.999 > 21 25 O 0.38543255221191 0.03658380865303 0.03328006923825 15.999 > 25 26 O 0.88543255221191 0.03658380865303 0.03328006923825 15.999 > 25 27 O 0.38543255221191 0.53658380865303 0.03328006923825 15.999 > 25 28 O 0.88543255221191 0.53658380865303 0.03328006923825 15.999 > 25 29 O 0.38543255221191 0.21341619134697 0.96671993076175 15.999 > 29 30 O 0.88543255221191 0.21341619134697 0.96671993076175 15.999 > 29 31 O 0.38543255221191 0.71341619134697 0.96671993076175 15.999 > 29 32 O 0.88543255221191 0.71341619134697 0.96671993076175 15.999 > 29 33 O 0.27584864498293 0.36773428906078 0.61866368180299 15.999 > 33 34 O 0.77584864498293 0.36773428906078 0.61866368180299 15.999 > 33 35 O 0.27584864498293 0.86773428906078 0.61866368180299 15.999 > 33 36 O 0.77584864498293 0.86773428906078 0.61866368180299 15.999 > 33 37 O 0.27584864498293 0.36773428906078 0.88133631819701 15.999 > 37 38 O 0.77584864498293 0.36773428906078 0.88133631819701 15.999 > 37 39 O 0.27584864498293 0.86773428906078 0.88133631819701 15.999 > 37 40 O 0.77584864498293 0.86773428906078 0.88133631819701 15.999 > 37 41 O 0.22415135501707 0.11773428906078 0.88133631819701 15.999 > 41 42 O 0.72415135501707 0.11773428906078 0.88133631819701 15.999 > 41 43 O 0.22415135501707 0.61773428906078 0.88133631819701 15.999 > 41 44 O 0.72415135501707 0.61773428906078 0.88133631819701 15.999 > 41 45 O 0.22415135501707 0.13226571093922 0.11866368180299 15.999 > 45 46 O 0.72415135501707 0.13226571093922 0.11866368180299 15.999 > 45 47 O 0.22415135501707 0.63226571093922 0.11866368180299 15.999 > 45 48 O 0.72415135501707 0.63226571093922 0.11866368180299 15.999 > 45 49 O 0.22415135501707 0.13226571093922 0.38133631819701 15.999 > 49 50 O 0.72415135501707 0.13226571093922 0.38133631819701 15.999 > 49 51 O 0.22415135501707 0.63226571093922 0.38133631819701 15.999 > 49 52 O 0.72415135501707 0.63226571093922 0.38133631819701 15.999 > 49 53 O 0.22415135501707 0.11773428906078 0.61866368180299 15.999 > 53 54 O 0.72415135501707 0.11773428906078 0.61866368180299 15.999 > 53 55 O 0.22415135501707 0.61773428906078 0.61866368180299 15.999 > 53 56 O 0.72415135501707 0.61773428906078 0.61866368180299 15.999 > 53 57 O 0.27584864498293 0.38226571093922 0.11866368180299 15.999 > 57 58 O 0.77584864498293 0.38226571093922 0.11866368180299 15.999 > 57 59 O 0.27584864498293 0.88226571093922 0.11866368180299 15.999 > 57 60 O 0.77584864498293 0.88226571093922 0.11866368180299 15.999 > 57 61 O 0.27584864498293 0.38226571093922 0.38133631819701 15.999 > 61 62 O 0.77584864498293 0.38226571093922 0.38133631819701 15.999 > 61 63 O 0.27584864498293 0.88226571093922 0.38133631819701 15.999 > 61 64 O 0.77584864498293 0.88226571093922 0.38133631819701 15.999 > 61 65 Si 0.30585076569459 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.80585076569459 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.30585076569459 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.80585076569459 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.19414923430541 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.69414923430541 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.19414923430541 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.69414923430541 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.19414923430541 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.69414923430541 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.19414923430541 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.69414923430541 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.30585076569459 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.80585076569459 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.30585076569459 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.80585076569459 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.04092945292824 0.44560823478909 0.25000000000000 78.960 > 81 82 Se 0.54092945292824 0.44560823478909 0.25000000000000 78.960 > 81 83 Se 0.04092945292824 0.94560823478909 0.25000000000000 78.960 > 81 84 Se 0.54092945292824 0.94560823478909 0.25000000000000 78.960 > 81 85 Se 0.04092945292824 0.30439176521091 0.75000000000000 78.960 > 85 86 Se 0.54092945292824 0.30439176521091 0.75000000000000 78.960 > 85 87 Se 0.04092945292824 0.80439176521091 0.75000000000000 78.960 > 85 88 Se 0.54092945292824 0.80439176521091 0.75000000000000 78.960 > 85 89 Se 0.45907054707176 0.19560823478909 0.25000000000000 78.960 > 89 90 Se 0.95907054707176 0.19560823478909 0.25000000000000 78.960 > 89 91 Se 0.45907054707176 0.69560823478909 0.25000000000000 78.960 > 89 92 Se 0.95907054707176 0.69560823478909 0.25000000000000 78.960 > 89 93 Se 0.45907054707176 0.05439176521091 0.75000000000000 78.960 > 93 94 Se 0.95907054707176 0.05439176521091 0.75000000000000 78.960 > 93 95 Se 0.45907054707176 0.55439176521091 0.75000000000000 78.960 > 93 96 Se 0.95907054707176 0.55439176521091 0.75000000000000 78.960 > 93 97 Nd 0.05359647413824 0.12500000000000 0.00000000000000 144.242 > 97 98 Nd 0.55359647413824 0.12500000000000 0.00000000000000 144.242 > 97 99 Nd 0.05359647413824 0.62500000000000 0.00000000000000 144.242 > 97 100 Nd 0.55359647413824 0.62500000000000 0.00000000000000 144.242 > 97 101 Nd 0.05359647413824 0.12500000000000 0.50000000000000 144.242 > 101 102 Nd 0.55359647413824 0.12500000000000 0.50000000000000 144.242 > 101 103 Nd 0.05359647413824 0.62500000000000 0.50000000000000 144.242 > 101 104 Nd 0.55359647413824 0.62500000000000 0.50000000000000 144.242 > 101 105 Nd 0.44640352586176 0.37500000000000 0.00000000000000 144.242 > 105 106 Nd 0.94640352586176 0.37500000000000 0.00000000000000 144.242 > 105 107 Nd 0.44640352586176 0.87500000000000 0.00000000000000 144.242 > 105 108 Nd 0.94640352586176 0.87500000000000 0.00000000000000 144.242 > 105 109 Nd 0.44640352586176 0.37500000000000 0.50000000000000 144.242 > 109 110 Nd 0.94640352586176 0.37500000000000 0.50000000000000 144.242 > 109 111 Nd 0.44640352586176 0.87500000000000 0.50000000000000 144.242 > 109 112 Nd 0.94640352586176 0.87500000000000 0.50000000000000 144.242 > 109 113 Nd 0.18548132953074 0.26719693753561 0.25000000000000 144.242 > 113 114 Nd 0.68548132953074 0.26719693753561 0.25000000000000 144.242 > 113 115 Nd 0.18548132953074 0.76719693753561 0.25000000000000 144.242 > 113 116 Nd 0.68548132953074 0.76719693753561 0.25000000000000 144.242 > 113 117 Nd 0.18548132953074 0.48280306246439 0.75000000000000 144.242 > 117 118 Nd 0.68548132953074 0.48280306246439 0.75000000000000 144.242 > 117 119 Nd 0.18548132953074 0.98280306246439 0.75000000000000 144.242 > 117 120 Nd 0.68548132953074 0.98280306246439 0.75000000000000 144.242 > 117 121 Nd 0.31451867046926 0.01719693753561 0.25000000000000 144.242 > 121 122 Nd 0.81451867046926 0.01719693753561 0.25000000000000 144.242 > 121 123 Nd 0.31451867046926 0.51719693753561 0.25000000000000 144.242 > 121 124 Nd 0.81451867046926 0.51719693753561 0.25000000000000 144.242 > 121 125 Nd 0.31451867046926 0.23280306246439 0.75000000000000 144.242 > 125 126 Nd 0.81451867046926 0.23280306246439 0.75000000000000 144.242 > 125 127 Nd 0.31451867046926 0.73280306246439 0.75000000000000 144.242 > 125 128 Nd 0.81451867046926 0.73280306246439 0.75000000000000 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3487862 0.0000000 0.0000000 0.0000000 5.5533555 0.0000000 0.0000000 0.0000000 5.4109502 -------------------------- Born effective charges -------------------------- 1 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 2 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 3 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 4 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 5 O -2.1574003 -0.2432794 0.0980984 -0.3353572 -2.5048344 -0.2133322 0.1066026 -0.1789856 -2.3207826 6 O -2.1574003 0.2432794 -0.0980984 0.3353572 -2.5048344 -0.2133322 -0.1066026 -0.1789856 -2.3207826 7 O -2.1574003 0.2432794 0.0980984 0.3353572 -2.5048344 0.2133322 0.1066026 0.1789856 -2.3207826 8 O -2.1574003 -0.2432794 -0.0980984 -0.3353572 -2.5048344 0.2133322 -0.1066026 0.1789856 -2.3207826 9 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 10 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 11 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 12 O -2.6683378 0.3990050 0.0145126 0.2215238 -1.9314340 -0.1495324 -0.0623638 -0.0598310 -2.4375660 13 O -2.6683378 0.3990050 -0.0145126 0.2215238 -1.9314340 0.1495324 0.0623638 0.0598310 -2.4375660 14 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 15 O -2.6683378 -0.3990050 -0.0145126 -0.2215238 -1.9314340 -0.1495324 0.0623638 -0.0598310 -2.4375660 16 O -2.6683378 -0.3990050 0.0145126 -0.2215238 -1.9314340 0.1495324 -0.0623638 0.0598310 -2.4375660 17 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 18 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 -0.0125577 0.0000000 -0.2235343 3.6313914 19 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 20 Si 3.7728831 0.0000000 0.0000000 0.0000000 2.6704356 0.0125577 0.0000000 0.2235343 3.6313914 21 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 22 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 23 Se -2.3244515 -0.3071803 0.0000000 -0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 24 Se -2.3244515 0.3071803 0.0000000 0.3329903 -2.2435960 0.0000000 0.0000000 0.0000000 -2.2030167 25 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 26 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 27 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 -0.0656005 0.0000000 0.1232431 4.3406682 28 Nd 3.9577272 0.0000000 0.0000000 0.0000000 4.2891559 0.0656005 0.0000000 -0.1232431 4.3406682 29 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 30 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 31 Nd 4.2453174 0.1992142 0.0000000 0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 32 Nd 4.2453174 -0.1992142 0.0000000 -0.1111589 4.1565412 0.0000000 0.0000000 0.0000000 3.7476542 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.794 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 14.931 ( 0.000 0.000 0.000) 0.000 15.163 ( 0.000 0.000 0.000) 0.000 15.173 ( 0.000 0.000 0.000) 0.000 15.445 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.088 ( 0.000 0.000 0.000) 0.000 16.861 ( 0.000 0.000 0.000) 0.000 24.175 ( 0.000 0.000 0.000) 0.000 24.386 ( 0.000 0.000 0.000) 0.000 24.415 ( 0.000 0.000 0.000) 0.000 24.490 ( 0.000 0.000 0.000) 0.000 24.507 ( 0.000 0.000 0.000) 0.000 24.813 ( 0.000 0.000 0.000) 0.000 25.073 ( 0.000 0.000 0.000) 0.000 25.381 ( 0.000 0.000 0.000) 0.000 26.875 ( 0.000 0.000 0.000) 0.000 26.968 ( 0.000 0.000 0.000) 0.000 27.064 ( 0.000 0.000 0.000) 0.000 27.098 ( 0.000 0.000 0.000) 0.000 27.160 ( 0.000 0.000 0.000) 0.000 27.241 ( 0.000 0.000 0.000) 0.000 27.307 ( 0.000 0.000 0.000) 0.000 28.259 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 26.166 0.000 0.000) 26.166 0.571 ( 27.791 0.000 0.000) 27.791 1.118 ( -1.694 0.000 0.000) 1.694 1.150 ( 51.709 0.000 0.000) 51.709 1.517 ( -6.300 0.000 0.000) 6.300 1.601 ( 3.963 0.000 0.000) 3.963 1.895 ( 4.450 0.000 0.000) 4.450 1.960 ( 3.981 0.000 0.000) 3.981 2.097 ( -10.782 0.000 0.000) 10.782 2.881 ( 20.949 0.000 0.000) 20.949 2.900 ( -11.017 0.000 0.000) 11.017 2.960 ( 2.593 0.000 0.000) 2.593 3.165 ( 5.053 0.000 0.000) 5.053 3.297 ( -10.414 0.000 0.000) 10.414 3.336 ( -4.003 0.000 0.000) 4.003 3.342 ( 2.426 0.000 0.000) 2.426 3.484 ( 7.464 0.000 0.000) 7.464 3.539 ( 15.802 0.000 0.000) 15.802 3.608 ( 0.792 0.000 0.000) 0.792 3.659 ( -0.441 0.000 0.000) 0.441 3.684 ( 3.014 0.000 0.000) 3.014 3.711 ( 0.425 0.000 0.000) 0.425 3.943 ( 3.094 0.000 0.000) 3.094 3.945 ( -1.870 0.000 0.000) 1.870 4.107 ( 4.658 0.000 0.000) 4.658 4.154 ( 14.837 0.000 0.000) 14.837 4.261 ( 8.457 0.000 0.000) 8.457 4.424 ( 5.829 0.000 0.000) 5.829 4.446 ( 2.804 0.000 0.000) 2.804 4.541 ( 4.720 0.000 0.000) 4.720 4.586 ( -0.998 0.000 0.000) 0.998 4.717 ( 1.173 0.000 0.000) 1.173 5.048 ( 1.694 0.000 0.000) 1.694 5.248 ( 3.953 0.000 0.000) 3.953 5.438 ( -2.805 0.000 0.000) 2.805 5.462 ( 1.788 0.000 0.000) 1.788 6.370 ( -3.838 0.000 0.000) 3.838 6.585 ( -0.759 0.000 0.000) 0.759 6.837 ( -2.803 0.000 0.000) 2.803 7.052 ( 2.693 0.000 0.000) 2.693 7.058 ( -0.195 0.000 0.000) 0.195 7.443 ( 2.459 0.000 0.000) 2.459 7.503 ( 0.579 0.000 0.000) 0.579 7.666 ( -2.239 0.000 0.000) 2.239 7.706 ( -1.544 0.000 0.000) 1.544 7.788 ( 2.081 0.000 0.000) 2.081 7.860 ( -3.320 0.000 0.000) 3.320 7.891 ( 0.164 0.000 0.000) 0.164 8.413 ( 1.199 0.000 0.000) 1.199 8.473 ( 5.725 0.000 0.000) 5.725 8.732 ( 2.347 0.000 0.000) 2.347 8.850 ( -2.427 0.000 0.000) 2.427 9.275 ( 4.448 0.000 0.000) 4.448 9.317 ( -3.180 0.000 0.000) 3.180 9.365 ( -3.575 0.000 0.000) 3.575 9.472 ( 2.030 0.000 0.000) 2.030 10.125 ( 0.393 0.000 0.000) 0.393 10.332 ( -13.093 0.000 0.000) 13.093 10.459 ( -3.169 0.000 0.000) 3.169 10.586 ( 1.364 0.000 0.000) 1.364 10.716 ( -6.133 0.000 0.000) 6.133 10.823 ( 2.399 0.000 0.000) 2.399 11.100 ( 3.106 0.000 0.000) 3.106 11.249 ( -10.215 0.000 0.000) 10.215 11.935 ( 1.199 0.000 0.000) 1.199 12.547 ( -6.341 0.000 0.000) 6.341 12.890 ( -2.375 0.000 0.000) 2.375 13.134 ( -10.368 0.000 0.000) 10.368 13.216 ( 5.913 0.000 0.000) 5.913 13.752 ( -4.169 0.000 0.000) 4.169 14.468 ( -11.795 0.000 0.000) 11.795 15.018 ( 7.823 0.000 0.000) 7.823 15.172 ( -0.124 0.000 0.000) 0.124 15.221 ( -13.172 0.000 0.000) 13.172 15.812 ( -6.419 0.000 0.000) 6.419 16.072 ( -1.444 0.000 0.000) 1.444 16.113 ( 14.046 0.000 0.000) 14.046 16.124 ( 7.275 0.000 0.000) 7.275 16.303 ( 12.785 0.000 0.000) 12.785 16.866 ( 0.394 0.000 0.000) 0.394 24.177 ( 0.198 0.000 0.000) 0.198 24.390 ( 0.331 0.000 0.000) 0.331 24.412 ( -0.221 0.000 0.000) 0.221 24.473 ( -1.469 0.000 0.000) 1.469 24.558 ( 1.950 0.000 0.000) 1.950 24.812 ( -0.059 0.000 0.000) 0.059 25.057 ( -1.283 0.000 0.000) 1.283 25.382 ( -0.199 0.000 0.000) 0.199 26.775 ( -6.494 0.000 0.000) 6.494 26.963 ( -0.411 0.000 0.000) 0.411 27.069 ( 0.394 0.000 0.000) 0.394 27.152 ( -0.794 0.000 0.000) 0.794 27.193 ( -4.371 0.000 0.000) 4.371 27.238 ( 10.117 0.000 0.000) 10.117 28.148 ( -10.147 0.000 0.000) 10.147 28.793 ( 3.378 0.000 0.000) 3.378 ======================= Grid point 2 (3/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 14.385 0.000 0.000) 14.385 1.090 ( 6.524 0.000 0.000) 6.524 1.101 ( 21.986 0.000 0.000) 21.986 1.360 ( -6.121 0.000 0.000) 6.121 1.709 ( 6.538 0.000 0.000) 6.538 1.882 ( -4.775 0.000 0.000) 4.775 1.883 ( 14.262 0.000 0.000) 14.262 2.054 ( 6.247 0.000 0.000) 6.247 2.168 ( 19.398 0.000 0.000) 19.398 2.657 ( -11.683 0.000 0.000) 11.683 3.016 ( -16.522 0.000 0.000) 16.522 3.028 ( 5.512 0.000 0.000) 5.512 3.178 ( -7.800 0.000 0.000) 7.800 3.253 ( -3.317 0.000 0.000) 3.317 3.325 ( 18.342 0.000 0.000) 18.342 3.344 ( 1.172 0.000 0.000) 1.172 3.625 ( 1.095 0.000 0.000) 1.095 3.641 ( -0.803 0.000 0.000) 0.803 3.671 ( 7.871 0.000 0.000) 7.871 3.757 ( 3.503 0.000 0.000) 3.503 3.850 ( 14.700 0.000 0.000) 14.700 3.918 ( 17.954 0.000 0.000) 17.954 3.962 ( 2.574 0.000 0.000) 2.574 3.983 ( 0.637 0.000 0.000) 0.637 4.261 ( 12.461 0.000 0.000) 12.461 4.327 ( -0.390 0.000 0.000) 0.390 4.388 ( 6.743 0.000 0.000) 6.743 4.541 ( 4.117 0.000 0.000) 4.117 4.554 ( -2.182 0.000 0.000) 2.182 4.621 ( 11.293 0.000 0.000) 11.293 4.706 ( 9.164 0.000 0.000) 9.164 4.756 ( 3.445 0.000 0.000) 3.445 5.088 ( 1.938 0.000 0.000) 1.938 5.367 ( 8.041 0.000 0.000) 8.041 5.513 ( 12.418 0.000 0.000) 12.418 5.589 ( 12.129 0.000 0.000) 12.129 6.306 ( -1.911 0.000 0.000) 1.911 6.562 ( -1.368 0.000 0.000) 1.368 6.783 ( -2.108 0.000 0.000) 2.108 7.051 ( -0.469 0.000 0.000) 0.469 7.094 ( 0.973 0.000 0.000) 0.973 7.491 ( 1.918 0.000 0.000) 1.918 7.509 ( -0.195 0.000 0.000) 0.195 7.604 ( -3.576 0.000 0.000) 3.576 7.667 ( -2.052 0.000 0.000) 2.052 7.774 ( -4.657 0.000 0.000) 4.657 7.829 ( 1.565 0.000 0.000) 1.565 7.884 ( -1.238 0.000 0.000) 1.238 8.441 ( 1.372 0.000 0.000) 1.372 8.562 ( 2.107 0.000 0.000) 2.107 8.792 ( 3.264 0.000 0.000) 3.264 8.793 ( -2.888 0.000 0.000) 2.888 9.232 ( -4.771 0.000 0.000) 4.771 9.253 ( -7.501 0.000 0.000) 7.501 9.396 ( 7.187 0.000 0.000) 7.187 9.526 ( 3.043 0.000 0.000) 3.043 9.989 ( -20.247 0.000 0.000) 20.247 10.160 ( 2.948 0.000 0.000) 2.948 10.376 ( -4.961 0.000 0.000) 4.961 10.556 ( -8.412 0.000 0.000) 8.412 10.595 ( -0.155 0.000 0.000) 0.155 10.888 ( 3.732 0.000 0.000) 3.732 10.992 ( -13.732 0.000 0.000) 13.732 11.152 ( 1.470 0.000 0.000) 1.470 11.967 ( 1.860 0.000 0.000) 1.860 12.424 ( -5.035 0.000 0.000) 5.035 12.825 ( -3.703 0.000 0.000) 3.703 12.901 ( -11.146 0.000 0.000) 11.146 13.328 ( 4.558 0.000 0.000) 4.558 13.633 ( -7.101 0.000 0.000) 7.101 14.230 ( -10.296 0.000 0.000) 10.296 15.002 ( -7.761 0.000 0.000) 7.761 15.169 ( -0.182 0.000 0.000) 0.182 15.198 ( 8.804 0.000 0.000) 8.804 15.646 ( -9.213 0.000 0.000) 9.213 16.035 ( -2.085 0.000 0.000) 2.085 16.227 ( 4.086 0.000 0.000) 4.086 16.410 ( 13.647 0.000 0.000) 13.647 16.604 ( 14.063 0.000 0.000) 14.063 16.872 ( 0.077 0.000 0.000) 0.077 24.183 ( 0.382 0.000 0.000) 0.382 24.398 ( 0.466 0.000 0.000) 0.466 24.406 ( -0.438 0.000 0.000) 0.438 24.457 ( -0.088 0.000 0.000) 0.088 24.587 ( 0.892 0.000 0.000) 0.892 24.811 ( -0.076 0.000 0.000) 0.076 25.037 ( -0.372 0.000 0.000) 0.372 25.358 ( -2.437 0.000 0.000) 2.437 26.661 ( -4.601 0.000 0.000) 4.601 26.953 ( -0.553 0.000 0.000) 0.553 27.078 ( 0.530 0.000 0.000) 0.530 27.086 ( -5.659 0.000 0.000) 5.659 27.131 ( -1.186 0.000 0.000) 1.186 27.441 ( 9.219 0.000 0.000) 9.219 27.900 ( -12.820 0.000 0.000) 12.820 28.874 ( 4.230 0.000 0.000) 4.230 ======================= Grid point 3 (4/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -2.137 0.000 0.000) 2.137 1.145 ( -5.292 0.000 0.000) 5.292 1.460 ( 14.640 0.000 0.000) 14.640 1.593 ( 15.177 0.000 0.000) 15.177 1.848 ( 1.829 0.000 0.000) 1.829 1.879 ( 11.188 0.000 0.000) 11.188 2.012 ( 3.121 0.000 0.000) 3.121 2.204 ( 8.599 0.000 0.000) 8.599 2.426 ( 4.781 0.000 0.000) 4.781 2.464 ( -6.326 0.000 0.000) 6.326 2.654 ( -18.548 0.000 0.000) 18.548 2.899 ( -17.515 0.000 0.000) 17.515 3.151 ( 2.067 0.000 0.000) 2.067 3.243 ( 4.345 0.000 0.000) 4.345 3.380 ( 1.477 0.000 0.000) 1.477 3.564 ( 6.245 0.000 0.000) 6.245 3.627 ( -0.392 0.000 0.000) 0.392 3.650 ( 1.173 0.000 0.000) 1.173 3.783 ( 3.750 0.000 0.000) 3.750 3.834 ( 3.728 0.000 0.000) 3.728 3.972 ( -1.479 0.000 0.000) 1.479 4.008 ( 1.526 0.000 0.000) 1.526 4.130 ( 4.630 0.000 0.000) 4.630 4.207 ( 16.099 0.000 0.000) 16.099 4.308 ( -0.960 0.000 0.000) 0.960 4.455 ( -0.038 0.000 0.000) 0.038 4.487 ( 5.202 0.000 0.000) 5.202 4.506 ( -2.181 0.000 0.000) 2.181 4.744 ( 2.059 0.000 0.000) 2.059 4.785 ( -1.651 0.000 0.000) 1.651 4.798 ( 23.515 0.000 0.000) 23.515 4.912 ( 9.286 0.000 0.000) 9.286 5.114 ( 0.388 0.000 0.000) 0.388 5.591 ( 13.697 0.000 0.000) 13.697 5.853 ( 16.158 0.000 0.000) 16.158 5.882 ( 11.741 0.000 0.000) 11.741 6.295 ( 0.468 0.000 0.000) 0.468 6.535 ( -1.123 0.000 0.000) 1.123 6.757 ( -0.625 0.000 0.000) 0.625 7.041 ( -0.434 0.000 0.000) 0.434 7.093 ( -0.656 0.000 0.000) 0.656 7.511 ( 1.751 0.000 0.000) 1.751 7.517 ( 0.761 0.000 0.000) 0.761 7.561 ( 1.089 0.000 0.000) 1.089 7.631 ( -1.350 0.000 0.000) 1.350 7.689 ( -3.328 0.000 0.000) 3.328 7.812 ( -6.535 0.000 0.000) 6.535 7.826 ( -2.729 0.000 0.000) 2.729 8.463 ( 0.732 0.000 0.000) 0.732 8.566 ( -0.831 0.000 0.000) 0.831 8.744 ( -1.814 0.000 0.000) 1.814 8.851 ( 2.255 0.000 0.000) 2.255 9.079 ( -8.407 0.000 0.000) 8.407 9.147 ( -2.976 0.000 0.000) 2.976 9.546 ( 6.694 0.000 0.000) 6.694 9.566 ( -19.277 0.000 0.000) 19.277 9.582 ( 2.206 0.000 0.000) 2.206 10.222 ( 2.540 0.000 0.000) 2.540 10.248 ( -6.809 0.000 0.000) 6.809 10.439 ( -2.721 0.000 0.000) 2.721 10.590 ( -0.152 0.000 0.000) 0.152 10.747 ( -9.372 0.000 0.000) 9.372 10.960 ( 2.949 0.000 0.000) 2.949 11.157 ( -0.609 0.000 0.000) 0.609 12.003 ( 1.478 0.000 0.000) 1.478 12.353 ( -2.113 0.000 0.000) 2.113 12.723 ( -5.942 0.000 0.000) 5.942 12.754 ( -2.950 0.000 0.000) 2.950 13.391 ( 1.751 0.000 0.000) 1.751 13.497 ( -5.393 0.000 0.000) 5.393 14.074 ( -5.018 0.000 0.000) 5.018 14.900 ( -2.713 0.000 0.000) 2.713 15.165 ( -0.133 0.000 0.000) 0.133 15.345 ( 5.213 0.000 0.000) 5.213 15.476 ( -6.681 0.000 0.000) 6.681 15.996 ( -1.506 0.000 0.000) 1.506 16.295 ( 2.445 0.000 0.000) 2.445 16.629 ( 7.524 0.000 0.000) 7.524 16.828 ( 7.649 0.000 0.000) 7.649 16.870 ( -0.204 0.000 0.000) 0.204 24.191 ( 0.369 0.000 0.000) 0.369 24.396 ( -0.426 0.000 0.000) 0.426 24.407 ( 0.328 0.000 0.000) 0.328 24.465 ( 0.710 0.000 0.000) 0.710 24.595 ( -0.051 0.000 0.000) 0.051 24.809 ( -0.048 0.000 0.000) 0.048 25.051 ( 1.682 0.000 0.000) 1.682 25.285 ( -4.296 0.000 0.000) 4.296 26.591 ( -2.280 0.000 0.000) 2.280 26.943 ( -0.379 0.000 0.000) 0.379 26.986 ( -3.737 0.000 0.000) 3.737 27.088 ( 0.362 0.000 0.000) 0.362 27.108 ( -0.901 0.000 0.000) 0.901 27.591 ( 5.225 0.000 0.000) 5.225 27.681 ( -7.889 0.000 0.000) 7.889 28.948 ( 2.706 0.000 0.000) 2.706 ======================= Grid point 4 (5/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.102 ( -0.000 0.000 0.000) 0.000 2.332 ( -0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.505 ( -0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.611 ( -0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.685 ( -0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.627 ( -0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.730 ( -0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.992 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.439 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 15.164 ( 0.000 0.000 0.000) 0.000 15.399 ( 0.000 0.000 0.000) 0.000 15.404 ( 0.000 0.000 0.000) 0.000 15.980 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 16.867 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 24.196 ( 0.000 0.000 0.000) 0.000 24.391 ( 0.000 0.000 0.000) 0.000 24.410 ( 0.000 0.000 0.000) 0.000 24.475 ( -0.000 0.000 0.000) 0.000 24.592 ( 0.000 0.000 0.000) 0.000 24.809 ( 0.000 0.000 0.000) 0.000 25.081 ( 0.000 0.000 0.000) 0.000 25.225 ( 0.000 0.000 0.000) 0.000 26.568 ( 0.000 0.000 0.000) 0.000 26.939 ( 0.000 0.000 0.000) 0.000 26.946 ( 0.000 0.000 0.000) 0.000 27.092 ( 0.000 0.000 0.000) 0.000 27.099 ( 0.000 0.000 0.000) 0.000 27.599 ( 0.000 0.000 0.000) 0.000 27.645 ( 0.000 0.000 0.000) 0.000 28.976 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 29.092 0.000) 29.092 0.587 ( 0.000 27.744 0.000) 27.744 1.110 ( 0.000 52.302 0.000) 52.302 1.420 ( 0.000 24.762 0.000) 24.762 1.579 ( 0.000 1.883 0.000) 1.883 1.863 ( 0.000 2.004 0.000) 2.004 1.964 ( 0.000 3.977 0.000) 3.977 2.233 ( 0.000 8.685 0.000) 8.685 2.296 ( 0.000 4.655 0.000) 4.655 2.673 ( 0.000 2.694 0.000) 2.694 2.870 ( 0.000 -3.228 0.000) 3.228 2.959 ( 0.000 -5.762 0.000) 5.762 3.079 ( 0.000 -1.444 0.000) 1.444 3.131 ( 0.000 -3.725 0.000) 3.725 3.210 ( 0.000 -1.794 0.000) 1.794 3.256 ( 0.000 -8.235 0.000) 8.235 3.317 ( 0.000 -7.309 0.000) 7.309 3.421 ( 0.000 -1.954 0.000) 1.954 3.594 ( 0.000 -7.837 0.000) 7.837 3.635 ( 0.000 2.405 0.000) 2.405 3.666 ( 0.000 -0.659 0.000) 0.659 3.785 ( 0.000 4.792 0.000) 4.792 3.899 ( 0.000 -0.440 0.000) 0.440 3.961 ( 0.000 1.314 0.000) 1.314 4.040 ( 0.000 -0.693 0.000) 0.693 4.102 ( 0.000 6.856 0.000) 6.856 4.128 ( 0.000 0.655 0.000) 0.655 4.266 ( 0.000 -7.578 0.000) 7.578 4.514 ( 0.000 1.654 0.000) 1.654 4.631 ( 0.000 -6.675 0.000) 6.675 4.657 ( 0.000 2.334 0.000) 2.334 4.695 ( 0.000 8.056 0.000) 8.056 4.774 ( 0.000 0.160 0.000) 0.160 5.044 ( 0.000 0.644 0.000) 0.644 5.321 ( 0.000 -8.942 0.000) 8.942 5.442 ( 0.000 -4.180 0.000) 4.180 6.493 ( 0.000 6.209 0.000) 6.209 6.634 ( 0.000 3.956 0.000) 3.956 7.026 ( 0.000 0.907 0.000) 0.907 7.067 ( 0.000 0.717 0.000) 0.717 7.468 ( 0.000 5.179 0.000) 5.179 7.469 ( 0.000 -2.656 0.000) 2.656 7.577 ( 0.000 -5.587 0.000) 5.587 7.707 ( 0.000 0.925 0.000) 0.925 7.736 ( 0.000 1.246 0.000) 1.246 7.777 ( 0.000 1.567 0.000) 1.567 7.872 ( 0.000 -1.560 0.000) 1.560 8.373 ( 0.000 -2.023 0.000) 2.023 8.420 ( 0.000 1.691 0.000) 1.691 8.509 ( 0.000 -3.867 0.000) 3.867 8.595 ( 0.000 -2.953 0.000) 2.953 8.801 ( 0.000 8.866 0.000) 8.866 8.949 ( 0.000 6.661 0.000) 6.661 9.215 ( 0.000 -12.929 0.000) 12.929 9.356 ( 0.000 -4.013 0.000) 4.013 9.452 ( 0.000 0.078 0.000) 0.078 9.600 ( 0.000 1.459 0.000) 1.459 10.147 ( 0.000 1.965 0.000) 1.965 10.437 ( 0.000 -6.142 0.000) 6.142 10.539 ( 0.000 2.190 0.000) 2.190 10.736 ( 0.000 -5.351 0.000) 5.351 10.757 ( 0.000 -2.192 0.000) 2.192 11.004 ( 0.000 -6.651 0.000) 6.651 11.249 ( 0.000 -4.547 0.000) 4.547 11.985 ( 0.000 6.385 0.000) 6.385 12.887 ( 0.000 -2.778 0.000) 2.778 13.145 ( 0.000 0.399 0.000) 0.399 13.249 ( 0.000 -5.705 0.000) 5.705 13.360 ( 0.000 10.011 0.000) 10.011 13.982 ( 0.000 15.311 0.000) 15.311 14.555 ( 0.000 -5.546 0.000) 5.546 14.934 ( 0.000 0.314 0.000) 0.314 15.137 ( 0.000 -3.394 0.000) 3.394 15.185 ( 0.000 1.785 0.000) 1.785 15.407 ( 0.000 -3.483 0.000) 3.483 15.882 ( 0.000 -6.033 0.000) 6.033 15.948 ( 0.000 0.556 0.000) 0.556 16.085 ( 0.000 -0.330 0.000) 0.330 16.180 ( 0.000 7.739 0.000) 7.739 16.845 ( 0.000 -1.624 0.000) 1.624 24.178 ( 0.000 0.379 0.000) 0.379 24.398 ( 0.000 -1.443 0.000) 1.443 24.448 ( 0.000 5.500 0.000) 5.500 24.470 ( 0.000 -1.705 0.000) 1.705 24.498 ( 0.000 -0.859 0.000) 0.859 24.814 ( 0.000 0.021 0.000) 0.021 25.423 ( 0.000 4.018 0.000) 4.018 26.014 ( 0.000 -1.779 0.000) 1.779 26.838 ( 0.000 -2.540 0.000) 2.540 26.946 ( 0.000 -6.140 0.000) 6.140 27.038 ( 0.000 5.751 0.000) 5.751 27.085 ( 0.000 -4.312 0.000) 4.312 27.215 ( 0.000 -2.545 0.000) 2.545 27.219 ( 0.000 6.259 0.000) 6.259 27.438 ( 0.000 9.737 0.000) 9.737 28.447 ( 0.000 -7.330 0.000) 7.330 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 16.855 19.622 0.000) 25.867 0.934 ( 20.015 23.152 0.000) 30.604 1.395 ( -2.105 23.861 0.000) 23.954 1.472 ( 30.833 29.666 0.000) 42.788 1.624 ( 4.222 2.524 0.000) 4.919 1.743 ( -16.023 11.400 0.000) 19.664 1.908 ( 2.539 0.818 0.000) 2.668 2.083 ( -3.477 8.534 0.000) 9.215 2.245 ( -1.491 15.430 0.000) 15.502 2.832 ( -5.773 -4.495 0.000) 7.316 2.902 ( -1.521 -5.166 0.000) 5.385 2.902 ( 19.538 1.841 0.000) 19.625 3.135 ( 3.402 -5.323 0.000) 6.318 3.230 ( 1.536 -4.990 0.000) 5.221 3.251 ( -5.612 -3.840 0.000) 6.800 3.299 ( 4.013 -3.417 0.000) 5.270 3.396 ( 10.118 -9.494 0.000) 13.875 3.473 ( 7.388 -1.571 0.000) 7.553 3.620 ( 3.515 -6.667 0.000) 7.537 3.655 ( 1.403 0.852 0.000) 1.641 3.678 ( -1.549 1.355 0.000) 2.058 3.757 ( 4.171 4.072 0.000) 5.830 3.975 ( 4.940 1.743 0.000) 5.238 3.981 ( 0.709 3.958 0.000) 4.021 4.088 ( 4.654 -1.347 0.000) 4.845 4.186 ( 12.484 3.167 0.000) 12.879 4.288 ( 9.250 1.355 0.000) 9.348 4.289 ( 2.637 -9.340 0.000) 9.705 4.486 ( -2.659 3.570 0.000) 4.451 4.560 ( 2.587 1.998 0.000) 3.269 4.691 ( 4.497 -3.544 0.000) 5.725 4.691 ( -0.620 7.139 0.000) 7.166 4.963 ( 6.080 -6.552 0.000) 8.938 5.147 ( 7.925 -3.577 0.000) 8.695 5.352 ( 3.628 -8.315 0.000) 9.073 5.407 ( -1.474 -2.751 0.000) 3.121 6.429 ( -4.688 5.238 0.000) 7.029 6.632 ( -0.608 4.297 0.000) 4.340 7.064 ( -0.351 0.595 0.000) 0.691 7.066 ( 3.045 1.397 0.000) 3.350 7.182 ( -20.335 13.545 0.000) 24.433 7.485 ( 1.376 -1.919 0.000) 2.361 7.540 ( 0.490 7.740 0.000) 7.755 7.687 ( -0.960 2.018 0.000) 2.234 7.717 ( -1.746 1.108 0.000) 2.068 7.781 ( 0.276 -0.282 0.000) 0.394 7.867 ( -0.411 -2.224 0.000) 2.261 7.908 ( -9.806 5.794 0.000) 11.390 8.348 ( 0.016 -3.262 0.000) 3.262 8.540 ( 7.759 2.723 0.000) 8.223 8.802 ( 0.026 7.358 0.000) 7.358 8.864 ( -0.886 0.084 0.000) 0.889 9.104 ( 3.008 -10.348 0.000) 10.777 9.303 ( -4.341 -4.306 0.000) 6.114 9.341 ( 4.241 -4.702 0.000) 6.332 9.495 ( 3.341 1.055 0.000) 3.503 9.789 ( 3.542 -21.130 0.000) 21.425 10.226 ( 5.770 -1.676 0.000) 6.009 10.421 ( -1.673 -4.403 0.000) 4.710 10.559 ( 1.570 2.120 0.000) 2.638 10.691 ( -5.887 -2.554 0.000) 6.417 10.742 ( 0.413 -6.938 0.000) 6.951 11.036 ( 2.741 -8.355 0.000) 8.793 11.179 ( -7.445 -5.039 0.000) 8.991 11.992 ( 0.672 5.948 0.000) 5.986 12.769 ( -23.469 11.250 0.000) 26.026 12.862 ( -2.343 -2.740 0.000) 3.605 13.196 ( 3.353 -1.415 0.000) 3.639 13.247 ( -9.794 10.409 0.000) 14.292 13.934 ( -4.422 14.350 0.000) 15.016 14.413 ( -11.537 -5.388 0.000) 12.733 15.021 ( 7.593 0.244 0.000) 7.597 15.157 ( 1.216 -1.529 0.000) 1.953 15.174 ( -12.335 -4.569 0.000) 13.154 15.690 ( 15.410 -8.374 0.000) 17.538 15.998 ( 6.492 -6.050 0.000) 8.875 16.060 ( 1.750 -1.010 0.000) 2.021 16.109 ( 9.781 -0.364 0.000) 9.788 16.280 ( 12.362 2.574 0.000) 12.627 16.852 ( 0.426 -1.712 0.000) 1.764 24.179 ( 0.136 0.321 0.000) 0.348 24.396 ( -0.231 -1.464 0.000) 1.483 24.449 ( 0.118 5.311 0.000) 5.313 24.452 ( -0.664 -1.181 0.000) 1.355 24.535 ( 2.075 -1.787 0.000) 2.739 24.813 ( -0.106 -0.026 0.000) 0.109 25.366 ( -10.433 9.801 0.000) 14.315 25.492 ( -12.730 14.892 0.000) 19.592 26.760 ( -5.588 -1.257 0.000) 5.728 26.931 ( -0.972 -4.131 0.000) 4.244 27.081 ( 2.309 3.649 0.000) 4.319 27.150 ( -1.985 -3.663 0.000) 4.166 27.161 ( -2.326 -0.359 0.000) 2.354 27.306 ( 7.677 4.877 0.000) 9.095 27.917 ( 11.239 -14.779 0.000) 18.567 28.500 ( 8.150 -14.009 0.000) 16.207 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 16.378 11.052 0.000) 19.758 1.305 ( 13.373 16.828 0.000) 21.494 1.358 ( 0.178 22.783 0.000) 22.784 1.469 ( -6.650 8.493 0.000) 10.786 1.741 ( 7.219 3.722 0.000) 8.122 1.905 ( -0.955 5.009 0.000) 5.099 1.944 ( 9.995 3.483 0.000) 10.585 2.068 ( 3.326 5.766 0.000) 6.657 2.391 ( 8.246 12.052 0.000) 14.603 2.663 ( -6.095 3.101 0.000) 6.838 2.934 ( 2.870 -5.471 0.000) 6.178 3.002 ( -12.811 -1.186 0.000) 12.866 3.128 ( -2.860 -9.294 0.000) 9.724 3.273 ( -1.670 5.766 0.000) 6.003 3.293 ( 1.866 -3.976 0.000) 4.393 3.356 ( 15.152 2.374 0.000) 15.337 3.567 ( 5.691 -5.902 0.000) 8.198 3.635 ( -1.400 -0.758 0.000) 1.592 3.675 ( 9.334 -2.772 0.000) 9.737 3.700 ( 3.475 -2.218 0.000) 4.122 3.776 ( 13.486 -5.619 0.000) 14.610 3.956 ( 9.252 2.375 0.000) 9.552 4.018 ( 2.117 6.027 0.000) 6.388 4.052 ( 4.484 4.761 0.000) 6.540 4.228 ( 8.757 -3.673 0.000) 9.496 4.366 ( 2.001 3.370 0.000) 3.920 4.408 ( 10.212 -6.650 0.000) 12.186 4.424 ( 4.658 3.428 0.000) 5.783 4.597 ( 13.554 -2.358 0.000) 13.757 4.653 ( -2.853 4.790 0.000) 5.575 4.656 ( 5.044 -0.962 0.000) 5.135 4.804 ( 5.314 0.456 0.000) 5.333 5.054 ( 3.634 -3.129 0.000) 4.795 5.313 ( 9.595 -4.432 0.000) 10.569 5.495 ( 11.887 -1.936 0.000) 12.044 5.516 ( 13.708 -5.844 0.000) 14.901 6.352 ( -2.351 4.390 0.000) 4.981 6.608 ( -1.527 4.127 0.000) 4.401 6.909 ( -7.861 9.005 0.000) 11.954 7.053 ( -0.669 0.217 0.000) 0.703 7.113 ( 1.115 2.079 0.000) 2.359 7.511 ( 0.903 -0.309 0.000) 0.954 7.551 ( 0.026 5.126 0.000) 5.126 7.649 ( -2.713 4.470 0.000) 5.229 7.672 ( -2.479 0.715 0.000) 2.580 7.747 ( -4.372 -2.241 0.000) 4.913 7.825 ( -0.001 -0.231 0.000) 0.231 7.854 ( -1.162 -2.952 0.000) 3.172 8.360 ( 0.360 -4.706 0.000) 4.720 8.666 ( 3.812 5.652 0.000) 6.817 8.799 ( -0.350 1.471 0.000) 1.512 8.830 ( -2.163 2.793 0.000) 3.533 9.110 ( -1.794 -10.061 0.000) 10.219 9.198 ( -5.637 -2.683 0.000) 6.243 9.415 ( 3.893 -2.076 0.000) 4.412 9.567 ( 3.375 2.277 0.000) 4.071 9.688 ( -10.392 -15.410 0.000) 18.587 10.271 ( 0.370 2.334 0.000) 2.364 10.364 ( -4.092 -1.458 0.000) 4.344 10.535 ( -8.179 -1.976 0.000) 8.414 10.584 ( 0.556 0.914 0.000) 1.070 10.767 ( 1.988 -11.251 0.000) 11.425 10.959 ( -12.493 -2.998 0.000) 12.848 11.086 ( 1.175 -9.276 0.000) 9.350 12.009 ( 0.887 4.727 0.000) 4.809 12.449 ( -9.863 4.594 0.000) 10.880 12.799 ( -3.648 -2.640 0.000) 4.503 13.032 ( -10.049 11.726 0.000) 15.442 13.266 ( 3.007 -4.552 0.000) 5.455 13.812 ( -7.105 13.952 0.000) 15.657 14.182 ( -9.906 -4.699 0.000) 10.964 14.960 ( -7.773 -4.081 0.000) 8.779 15.154 ( 1.690 -0.914 0.000) 1.922 15.210 ( 6.844 0.586 0.000) 6.869 15.708 ( -6.683 5.693 0.000) 8.779 16.042 ( -1.343 0.771 0.000) 1.548 16.166 ( 7.996 -4.870 0.000) 9.362 16.375 ( 12.873 -3.228 0.000) 13.272 16.579 ( 14.139 -1.733 0.000) 14.245 16.857 ( 0.011 -1.802 0.000) 1.802 24.184 ( 0.299 0.177 0.000) 0.347 24.389 ( -0.425 -1.511 0.000) 1.570 24.449 ( 0.338 -0.568 0.000) 0.661 24.453 ( 0.168 4.887 0.000) 4.890 24.567 ( 1.036 -1.840 0.000) 2.111 24.810 ( -0.147 -0.145 0.000) 0.207 25.167 ( -5.537 10.333 0.000) 11.723 25.397 ( -3.600 3.790 0.000) 5.227 26.657 ( -4.297 -0.312 0.000) 4.308 26.911 ( -0.928 -4.116 0.000) 4.220 27.058 ( -5.003 -2.439 0.000) 5.566 27.118 ( 1.441 4.380 0.000) 4.611 27.131 ( -1.828 -0.531 0.000) 1.903 27.477 ( 8.215 2.836 0.000) 8.691 27.865 ( -8.679 -2.474 0.000) 9.025 28.693 ( 8.156 -14.854 0.000) 16.946 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -6.364 7.312 0.000) 9.694 1.256 ( -1.222 19.682 0.000) 19.720 1.541 ( 10.946 7.635 0.000) 13.346 1.715 ( 14.387 10.098 0.000) 17.577 1.879 ( 0.394 4.333 0.000) 4.351 1.931 ( 12.128 5.746 0.000) 13.420 2.089 ( 4.941 2.048 0.000) 5.349 2.135 ( 2.644 0.606 0.000) 2.712 2.377 ( -3.961 -1.823 0.000) 4.361 2.608 ( -2.551 4.846 0.000) 5.476 2.688 ( -16.775 3.325 0.000) 17.102 2.881 ( -8.924 0.246 0.000) 8.927 3.095 ( -0.146 -6.277 0.000) 6.278 3.294 ( 3.974 5.149 0.000) 6.504 3.337 ( 1.289 -0.658 0.000) 1.447 3.548 ( 4.593 -2.697 0.000) 5.327 3.616 ( -0.101 -1.294 0.000) 1.298 3.644 ( 2.272 -0.057 0.000) 2.273 3.790 ( 4.686 -3.217 0.000) 5.684 3.829 ( 6.377 -3.886 0.000) 7.468 3.979 ( -2.411 0.570 0.000) 2.478 4.017 ( -0.547 5.258 0.000) 5.286 4.100 ( 11.871 -4.074 0.000) 12.551 4.150 ( 2.271 1.148 0.000) 2.544 4.384 ( 4.623 -5.319 0.000) 7.048 4.416 ( 4.167 6.315 0.000) 7.566 4.498 ( 3.551 0.839 0.000) 3.648 4.513 ( -3.613 -0.251 0.000) 3.621 4.727 ( 1.561 -0.630 0.000) 1.683 4.796 ( 0.777 0.309 0.000) 0.836 4.847 ( 22.542 4.761 0.000) 23.039 4.899 ( 7.871 -1.768 0.000) 8.068 5.113 ( 1.889 -0.579 0.000) 1.975 5.568 ( 15.273 -2.101 0.000) 15.416 5.817 ( 15.474 -3.951 0.000) 15.971 5.835 ( 12.723 -3.458 0.000) 13.184 6.338 ( 0.796 4.374 0.000) 4.446 6.577 ( -1.469 3.638 0.000) 3.923 6.812 ( -2.579 4.452 0.000) 5.145 7.041 ( -0.364 -0.061 0.000) 0.369 7.110 ( -1.031 2.195 0.000) 2.425 7.529 ( 1.707 0.625 0.000) 1.818 7.536 ( -0.519 2.132 0.000) 2.194 7.614 ( 0.177 4.520 0.000) 4.523 7.627 ( -1.603 0.085 0.000) 1.606 7.663 ( -3.302 -2.330 0.000) 4.041 7.797 ( -5.125 -1.801 0.000) 5.432 7.814 ( -2.268 -1.201 0.000) 2.567 8.345 ( -1.631 -6.645 0.000) 6.843 8.700 ( 0.431 9.497 0.000) 9.506 8.777 ( -2.045 -7.271 0.000) 7.553 8.779 ( -2.906 2.017 0.000) 3.537 9.062 ( -2.149 -8.031 0.000) 8.314 9.101 ( -3.210 3.142 0.000) 4.492 9.352 ( -11.930 -13.993 0.000) 18.388 9.578 ( 3.192 2.005 0.000) 3.769 9.621 ( 1.868 2.375 0.000) 3.021 10.247 ( -6.460 0.078 0.000) 6.460 10.294 ( 1.786 3.531 0.000) 3.957 10.422 ( -2.691 -1.759 0.000) 3.215 10.583 ( -0.378 0.094 0.000) 0.390 10.727 ( -9.127 -1.755 0.000) 9.294 10.812 ( 2.049 -14.046 0.000) 14.195 11.086 ( -0.848 -9.031 0.000) 9.071 12.024 ( 0.617 3.288 0.000) 3.345 12.320 ( -3.610 0.218 0.000) 3.617 12.729 ( -2.893 -2.509 0.000) 3.829 12.876 ( -5.047 13.228 0.000) 14.158 13.313 ( 1.702 -6.379 0.000) 6.602 13.673 ( -5.927 13.837 0.000) 15.052 14.032 ( -4.788 -4.107 0.000) 6.308 14.859 ( -2.651 -4.101 0.000) 4.883 15.161 ( -0.030 -0.262 0.000) 0.264 15.338 ( 4.566 -0.807 0.000) 4.637 15.564 ( -6.043 8.378 0.000) 10.330 16.019 ( -0.783 2.316 0.000) 2.445 16.287 ( 3.989 -0.585 0.000) 4.031 16.584 ( 7.265 -4.226 0.000) 8.405 16.803 ( 7.509 -2.176 0.000) 7.818 16.854 ( -0.077 -1.889 0.000) 1.890 24.190 ( 0.312 0.028 0.000) 0.313 24.380 ( -0.401 -1.526 0.000) 1.578 24.456 ( 0.120 4.479 0.000) 4.481 24.462 ( 0.755 -0.268 0.000) 0.801 24.579 ( 0.193 -1.501 0.000) 1.514 24.807 ( -0.101 -0.271 0.000) 0.289 25.119 ( 0.140 5.974 0.000) 5.976 25.308 ( -4.883 2.134 0.000) 5.329 26.591 ( -2.164 0.070 0.000) 2.165 26.896 ( -0.535 -4.342 0.000) 4.375 26.970 ( -3.328 -1.445 0.000) 3.628 27.095 ( -1.421 -1.461 0.000) 2.038 27.140 ( 0.767 5.170 0.000) 5.227 27.613 ( 4.802 1.685 0.000) 5.088 27.702 ( -6.186 2.394 0.000) 6.633 28.813 ( 3.798 -12.322 0.000) 12.895 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 6.718 0.000) 6.718 1.239 ( -0.000 20.756 0.000) 20.756 1.650 ( 0.000 4.278 0.000) 4.278 1.843 ( -0.000 10.609 0.000) 10.609 1.916 ( 0.000 1.773 0.000) 1.773 2.133 ( 0.000 7.982 0.000) 7.982 2.151 ( -0.000 5.261 0.000) 5.261 2.195 ( -0.000 -11.666 0.000) 11.666 2.339 ( 0.000 -0.842 0.000) 0.842 2.427 ( 0.000 6.158 0.000) 6.158 2.553 ( 0.000 -1.503 0.000) 1.503 2.756 ( 0.000 10.595 0.000) 10.595 3.094 ( 0.000 -5.752 0.000) 5.752 3.343 ( -0.000 3.537 0.000) 3.537 3.348 ( 0.000 -0.885 0.000) 0.885 3.585 ( 0.000 -2.631 0.000) 2.631 3.617 ( -0.000 -3.613 0.000) 3.613 3.672 ( 0.000 1.981 0.000) 1.981 3.858 ( 0.000 -1.911 0.000) 1.911 3.917 ( -0.000 -11.856 0.000) 11.856 3.933 ( -0.000 -1.013 0.000) 1.013 3.979 ( 0.000 12.115 0.000) 12.115 4.168 ( 0.000 -1.063 0.000) 1.063 4.216 ( 0.000 -0.320 0.000) 0.320 4.441 ( 0.000 0.269 0.000) 0.269 4.451 ( -0.000 -2.462 0.000) 2.462 4.468 ( 0.000 4.682 0.000) 4.682 4.590 ( 0.000 -3.310 0.000) 3.310 4.701 ( -0.000 1.391 0.000) 1.391 4.782 ( 0.000 0.900 0.000) 0.900 5.004 ( 0.000 -1.815 0.000) 1.815 5.128 ( 0.000 0.955 0.000) 0.955 5.130 ( 0.000 3.485 0.000) 3.485 5.823 ( -0.000 1.154 0.000) 1.154 5.900 ( 0.000 -3.437 0.000) 3.437 5.983 ( 0.000 -4.606 0.000) 4.606 6.357 ( 0.000 5.438 0.000) 5.438 6.558 ( 0.000 2.976 0.000) 2.976 6.786 ( 0.000 2.842 0.000) 2.842 7.039 ( -0.000 0.099 0.000) 0.099 7.095 ( 0.000 1.851 0.000) 1.851 7.546 ( 0.000 2.154 0.000) 2.154 7.578 ( 0.000 -2.675 0.000) 2.675 7.622 ( 0.000 -2.433 0.000) 2.433 7.639 ( 0.000 0.096 0.000) 0.096 7.660 ( 0.000 0.644 0.000) 0.644 7.671 ( 0.000 2.259 0.000) 2.259 7.743 ( -0.000 0.530 0.000) 0.530 8.321 ( 0.000 -8.086 0.000) 8.086 8.704 ( 0.000 10.143 0.000) 10.143 8.736 ( 0.000 -1.130 0.000) 1.130 8.746 ( 0.000 -9.386 0.000) 9.386 9.041 ( 0.000 -7.810 0.000) 7.810 9.072 ( 0.000 5.852 0.000) 5.852 9.201 ( 0.000 -7.876 0.000) 7.876 9.628 ( 0.000 0.819 0.000) 0.819 9.640 ( 0.000 2.112 0.000) 2.112 10.171 ( 0.000 0.615 0.000) 0.615 10.318 ( -0.000 4.228 0.000) 4.228 10.399 ( 0.000 -1.782 0.000) 1.782 10.581 ( 0.000 -0.837 0.000) 0.837 10.625 ( 0.000 -1.395 0.000) 1.395 10.835 ( 0.000 -14.947 0.000) 14.947 11.073 ( 0.000 -8.975 0.000) 8.975 12.031 ( 0.000 2.644 0.000) 2.644 12.285 ( 0.000 -1.051 0.000) 1.051 12.697 ( 0.000 -2.439 0.000) 2.439 12.826 ( 0.000 13.848 0.000) 13.848 13.333 ( 0.000 -7.170 0.000) 7.170 13.605 ( 0.000 14.044 0.000) 14.044 13.985 ( 0.000 -3.889 0.000) 3.889 14.835 ( -0.000 -4.095 0.000) 4.095 15.161 ( 0.000 -0.195 0.000) 0.195 15.384 ( -0.000 -1.484 0.000) 1.484 15.498 ( -0.000 9.079 0.000) 9.079 16.012 ( 0.000 3.103 0.000) 3.103 16.328 ( 0.000 0.695 0.000) 0.695 16.659 ( 0.000 -4.479 0.000) 4.479 16.848 ( 0.000 -2.084 0.000) 2.084 16.885 ( 0.000 -2.060 0.000) 2.060 24.194 ( -0.000 -0.036 0.000) 0.036 24.375 ( 0.000 -1.518 0.000) 1.518 24.457 ( 0.000 4.309 0.000) 4.309 24.471 ( -0.000 -0.284 0.000) 0.284 24.579 ( -0.000 -1.241 0.000) 1.241 24.806 ( 0.000 -0.324 0.000) 0.324 25.138 ( 0.000 5.005 0.000) 5.005 25.239 ( -0.000 1.361 0.000) 1.361 26.569 ( 0.000 0.183 0.000) 0.183 26.890 ( 0.000 -4.420 0.000) 4.420 26.934 ( 0.000 -1.049 0.000) 1.049 27.080 ( 0.000 -1.856 0.000) 1.856 27.148 ( -0.000 5.455 0.000) 5.455 27.637 ( 0.000 3.896 0.000) 3.896 27.663 ( 0.000 1.318 0.000) 1.318 28.851 ( 0.000 -11.683 0.000) 11.683 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 21.718 0.000) 21.718 1.159 ( 0.000 28.107 0.000) 28.107 1.617 ( 0.000 1.302 0.000) 1.302 1.907 ( 0.000 2.393 0.000) 2.393 1.959 ( 0.000 19.925 0.000) 19.925 1.981 ( 0.000 28.811 0.000) 28.811 2.093 ( 0.000 17.284 0.000) 17.284 2.365 ( 0.000 1.226 0.000) 1.226 2.437 ( 0.000 8.997 0.000) 8.997 2.740 ( 0.000 3.546 0.000) 3.546 2.780 ( 0.000 -7.254 0.000) 7.254 2.955 ( 0.000 11.438 0.000) 11.438 3.006 ( 0.000 -6.773 0.000) 6.773 3.061 ( 0.000 -1.917 0.000) 1.917 3.081 ( 0.000 -8.540 0.000) 8.540 3.151 ( 0.000 -9.180 0.000) 9.180 3.191 ( 0.000 -0.290 0.000) 0.290 3.334 ( 0.000 -4.636 0.000) 4.636 3.410 ( 0.000 -9.663 0.000) 9.663 3.639 ( 0.000 -1.885 0.000) 1.885 3.659 ( 0.000 -0.272 0.000) 0.272 3.861 ( 0.000 -2.223 0.000) 2.223 3.872 ( 0.000 3.103 0.000) 3.103 4.002 ( 0.000 2.480 0.000) 2.480 4.053 ( 0.000 1.182 0.000) 1.182 4.111 ( 0.000 -6.742 0.000) 6.742 4.123 ( 0.000 -1.325 0.000) 1.325 4.278 ( 0.000 10.008 0.000) 10.008 4.441 ( 0.000 -12.788 0.000) 12.788 4.576 ( 0.000 4.752 0.000) 4.752 4.723 ( 0.000 4.194 0.000) 4.194 4.755 ( 0.000 -2.513 0.000) 2.513 4.881 ( 0.000 10.067 0.000) 10.067 5.022 ( 0.000 -3.571 0.000) 3.571 5.103 ( 0.000 -11.267 0.000) 11.267 5.346 ( 0.000 -5.156 0.000) 5.156 6.624 ( 0.000 6.195 0.000) 6.195 6.727 ( 0.000 4.469 0.000) 4.469 7.058 ( 0.000 2.594 0.000) 2.594 7.093 ( 0.000 2.128 0.000) 2.128 7.391 ( 0.000 -5.001 0.000) 5.001 7.438 ( 0.000 -7.838 0.000) 7.838 7.592 ( 0.000 6.201 0.000) 6.201 7.722 ( 0.000 0.517 0.000) 0.517 7.764 ( 0.000 1.297 0.000) 1.297 7.830 ( 0.000 -2.296 0.000) 2.296 7.835 ( 0.000 4.775 0.000) 4.775 8.340 ( 0.000 -0.987 0.000) 0.987 8.391 ( 0.000 -7.925 0.000) 7.925 8.439 ( 0.000 -0.539 0.000) 0.539 8.543 ( 0.000 -1.763 0.000) 1.763 8.909 ( 0.000 -15.496 0.000) 15.496 9.039 ( 0.000 14.134 0.000) 14.134 9.130 ( 0.000 11.164 0.000) 11.164 9.279 ( 0.000 -2.560 0.000) 2.560 9.451 ( 0.000 0.031 0.000) 0.031 9.629 ( 0.000 0.401 0.000) 0.401 10.201 ( 0.000 3.306 0.000) 3.306 10.223 ( 0.000 -15.124 0.000) 15.124 10.559 ( 0.000 -1.991 0.000) 1.991 10.641 ( 0.000 -3.111 0.000) 3.111 10.701 ( 0.000 -3.124 0.000) 3.124 10.848 ( 0.000 -6.243 0.000) 6.243 11.126 ( 0.000 -7.353 0.000) 7.353 12.172 ( 0.000 11.744 0.000) 11.744 12.801 ( 0.000 -5.952 0.000) 5.952 13.152 ( 0.000 0.186 0.000) 0.186 13.168 ( 0.000 -2.244 0.000) 2.244 13.612 ( 0.000 14.184 0.000) 14.184 14.323 ( 0.000 17.861 0.000) 17.861 14.399 ( 0.000 -9.862 0.000) 9.862 14.941 ( 0.000 0.353 0.000) 0.353 15.055 ( 0.000 -4.293 0.000) 4.293 15.173 ( 0.000 -5.586 0.000) 5.586 15.365 ( 0.000 1.777 0.000) 1.777 15.751 ( 0.000 -6.958 0.000) 6.958 15.969 ( 0.000 1.562 0.000) 1.562 16.072 ( 0.000 -1.008 0.000) 1.008 16.353 ( 0.000 9.224 0.000) 9.224 16.792 ( 0.000 -3.836 0.000) 3.836 24.195 ( 0.000 1.431 0.000) 1.431 24.356 ( 0.000 -2.675 0.000) 2.675 24.437 ( 0.000 -1.212 0.000) 1.212 24.475 ( 0.000 -1.420 0.000) 1.420 24.580 ( 0.000 6.869 0.000) 6.869 24.808 ( 0.000 -0.768 0.000) 0.768 25.531 ( 0.000 6.562 0.000) 6.562 25.951 ( 0.000 -4.627 0.000) 4.627 26.791 ( 0.000 -2.022 0.000) 2.022 26.840 ( 0.000 -4.303 0.000) 4.303 27.025 ( 0.000 -1.550 0.000) 1.550 27.147 ( 0.000 -3.888 0.000) 3.888 27.171 ( 0.000 6.939 0.000) 6.939 27.321 ( 0.000 3.591 0.000) 3.591 27.648 ( 0.000 10.779 0.000) 10.779 28.264 ( 0.000 -10.170 0.000) 10.170 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 9.107 18.594 0.000) 20.705 1.382 ( 16.226 22.223 0.000) 27.516 1.647 ( 2.541 1.693 0.000) 3.054 1.891 ( -12.047 5.004 0.000) 13.045 1.918 ( 1.440 2.753 0.000) 3.107 1.969 ( -0.360 28.464 0.000) 28.466 2.108 ( 5.362 24.979 0.000) 25.548 2.260 ( -4.680 8.471 0.000) 9.678 2.491 ( 1.229 3.138 0.000) 3.370 2.765 ( -2.489 -6.742 0.000) 7.187 2.879 ( -0.183 9.020 0.000) 9.022 2.930 ( 13.082 0.168 0.000) 13.083 2.994 ( -1.686 -6.415 0.000) 6.633 3.119 ( 3.337 -4.375 0.000) 5.502 3.169 ( 3.815 -4.835 0.000) 6.159 3.208 ( 10.451 -8.137 0.000) 13.245 3.290 ( 6.498 0.842 0.000) 6.552 3.426 ( 8.491 -0.803 0.000) 8.529 3.458 ( 5.457 -7.422 0.000) 9.212 3.651 ( 0.894 -0.709 0.000) 1.140 3.700 ( -0.980 0.726 0.000) 1.220 3.834 ( 4.054 2.861 0.000) 4.962 3.948 ( 8.375 -4.129 0.000) 9.338 4.063 ( 5.439 3.608 0.000) 6.527 4.072 ( 0.976 -1.643 0.000) 1.911 4.136 ( 2.009 -4.105 0.000) 4.570 4.238 ( 9.557 -0.075 0.000) 9.557 4.350 ( 6.992 6.184 0.000) 9.334 4.500 ( 4.348 -7.800 0.000) 8.930 4.605 ( -0.469 3.036 0.000) 3.072 4.642 ( 2.115 4.026 0.000) 4.548 4.849 ( -3.031 8.876 0.000) 9.379 4.863 ( 5.581 -4.049 0.000) 6.895 5.074 ( 4.649 -5.045 0.000) 6.861 5.158 ( 5.868 -10.178 0.000) 11.748 5.336 ( 0.215 -4.446 0.000) 4.451 6.553 ( -5.026 6.607 0.000) 8.302 6.724 ( -0.957 3.815 0.000) 3.934 7.084 ( -0.822 1.695 0.000) 1.883 7.112 ( 4.169 3.376 0.000) 5.364 7.282 ( -12.039 -0.695 0.000) 12.059 7.424 ( 2.795 -4.130 0.000) 4.987 7.634 ( 1.468 2.418 0.000) 2.829 7.719 ( -0.055 0.096 0.000) 0.111 7.744 ( -1.875 1.270 0.000) 2.265 7.813 ( -1.493 -2.749 0.000) 3.129 7.818 ( -1.775 5.163 0.000) 5.459 8.055 ( -14.808 6.362 0.000) 16.117 8.308 ( -1.089 -0.662 0.000) 1.274 8.528 ( 5.599 -4.001 0.000) 6.881 8.757 ( 6.566 -9.670 0.000) 11.688 8.892 ( -1.263 -13.846 0.000) 13.904 9.025 ( -1.398 14.078 0.000) 14.147 9.241 ( 7.006 3.915 0.000) 8.025 9.253 ( -1.917 0.304 0.000) 1.941 9.495 ( 3.655 -0.899 0.000) 3.764 9.639 ( -0.155 -0.394 0.000) 0.423 10.221 ( 1.914 0.711 0.000) 2.042 10.235 ( 1.044 -14.807 0.000) 14.844 10.589 ( 2.284 -2.120 0.000) 3.116 10.603 ( -3.824 -3.834 0.000) 5.415 10.647 ( -4.919 -3.040 0.000) 5.782 10.824 ( -1.881 -8.837 0.000) 9.035 11.061 ( -6.395 -6.641 0.000) 9.219 12.170 ( -0.247 11.245 0.000) 11.248 12.778 ( -2.203 -5.831 0.000) 6.233 12.931 ( -17.308 6.019 0.000) 18.325 13.163 ( 0.052 -2.072 0.000) 2.073 13.504 ( -9.161 14.225 0.000) 16.919 14.243 ( -6.086 15.964 0.000) 17.085 14.262 ( -10.835 -9.346 0.000) 14.309 15.027 ( 7.156 0.363 0.000) 7.165 15.042 ( -11.286 -8.527 0.000) 14.145 15.114 ( 4.063 -2.568 0.000) 4.806 15.615 ( 19.745 0.571 0.000) 19.754 15.897 ( 8.658 -5.140 0.000) 10.069 16.045 ( 3.571 -0.261 0.000) 3.580 16.097 ( 5.585 -0.860 0.000) 5.651 16.384 ( 4.511 7.111 0.000) 8.421 16.794 ( 0.146 -4.064 0.000) 4.067 24.195 ( 0.005 1.360 0.000) 1.360 24.353 ( -0.244 -2.674 0.000) 2.685 24.433 ( -0.018 -0.575 0.000) 0.575 24.495 ( 1.494 -2.041 0.000) 2.529 24.577 ( -0.245 6.709 0.000) 6.714 24.806 ( -0.225 -0.843 0.000) 0.872 25.494 ( -4.076 6.071 0.000) 7.312 25.713 ( -15.846 4.915 0.000) 16.591 26.735 ( -4.158 -0.994 0.000) 4.275 26.836 ( -0.810 -4.604 0.000) 4.675 27.062 ( -0.401 -3.907 0.000) 3.927 27.122 ( -1.415 -3.525 0.000) 3.799 27.196 ( 2.155 6.891 0.000) 7.220 27.387 ( 5.849 2.686 0.000) 6.436 27.798 ( 9.071 1.988 0.000) 9.287 28.274 ( 2.521 -10.084 0.000) 10.394 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 11.617 12.847 0.000) 17.320 1.605 ( -12.685 8.688 0.000) 15.375 1.672 ( 11.440 14.088 0.000) 18.148 1.695 ( 1.679 5.437 0.000) 5.690 1.956 ( 1.675 1.362 0.000) 2.159 2.005 ( 4.685 25.177 0.000) 25.609 2.143 ( -2.066 13.763 0.000) 13.917 2.255 ( 3.418 11.065 0.000) 11.581 2.436 ( -5.578 -3.298 0.000) 6.480 2.693 ( -4.730 -4.717 0.000) 6.680 2.908 ( -0.912 -5.204 0.000) 5.283 2.970 ( 0.642 -1.838 0.000) 1.947 2.973 ( -6.225 -1.987 0.000) 6.534 3.234 ( 6.535 -2.656 0.000) 7.054 3.339 ( 7.271 -5.459 0.000) 9.093 3.391 ( 3.399 4.953 0.000) 6.007 3.468 ( 12.254 -3.322 0.000) 12.696 3.590 ( 6.116 -1.794 0.000) 6.373 3.617 ( -2.486 0.204 0.000) 2.494 3.687 ( 1.400 0.176 0.000) 1.411 3.699 ( 18.687 1.722 0.000) 18.766 4.006 ( 6.698 2.512 0.000) 7.153 4.080 ( 6.780 -3.522 0.000) 7.641 4.149 ( 0.173 -1.382 0.000) 1.393 4.164 ( 3.390 6.869 0.000) 7.660 4.295 ( 18.590 -5.340 0.000) 19.342 4.404 ( 5.949 -0.035 0.000) 5.949 4.533 ( 0.405 5.806 0.000) 5.820 4.579 ( 13.750 0.762 0.000) 13.771 4.647 ( 5.609 -0.445 0.000) 5.627 4.761 ( 4.771 -2.328 0.000) 5.308 4.784 ( -1.209 9.182 0.000) 9.261 4.974 ( 5.221 -4.896 0.000) 7.157 5.221 ( 10.884 -4.563 0.000) 11.802 5.381 ( 17.085 -7.611 0.000) 18.704 5.422 ( 9.469 -5.789 0.000) 11.098 6.470 ( -2.539 7.028 0.000) 7.473 6.691 ( -2.019 3.053 0.000) 3.660 7.043 ( -9.107 3.612 0.000) 9.797 7.063 ( -2.256 1.050 0.000) 2.488 7.183 ( 2.280 4.987 0.000) 5.484 7.480 ( 2.158 -2.801 0.000) 3.536 7.633 ( -1.067 1.545 0.000) 1.878 7.693 ( -3.297 -1.625 0.000) 3.676 7.694 ( -2.894 1.029 0.000) 3.072 7.758 ( -4.099 4.256 0.000) 5.909 7.782 ( -1.512 -3.554 0.000) 3.862 7.875 ( -4.004 6.497 0.000) 7.632 8.296 ( -0.785 -1.425 0.000) 1.627 8.601 ( 0.905 -9.205 0.000) 9.249 8.802 ( -1.948 -8.572 0.000) 8.790 8.872 ( -0.553 -12.640 0.000) 12.652 8.988 ( -1.792 15.149 0.000) 15.254 9.220 ( -1.200 4.775 0.000) 4.924 9.316 ( -0.210 2.044 0.000) 2.055 9.572 ( 3.414 -1.987 0.000) 3.950 9.617 ( -0.733 2.588 0.000) 2.689 10.256 ( 1.423 -2.188 0.000) 2.610 10.258 ( 0.947 -12.665 0.000) 12.701 10.477 ( -8.021 -3.355 0.000) 8.694 10.546 ( -4.189 -6.449 0.000) 7.690 10.620 ( 0.169 -0.328 0.000) 0.369 10.795 ( -0.717 -15.580 0.000) 15.596 10.883 ( -10.317 -4.364 0.000) 11.202 12.161 ( -0.562 9.995 0.000) 10.011 12.614 ( -12.517 10.476 0.000) 16.322 12.718 ( -3.421 -5.522 0.000) 6.496 13.158 ( -0.537 -6.373 0.000) 6.396 13.309 ( -8.763 14.881 0.000) 17.269 14.049 ( -9.086 -8.452 0.000) 12.409 14.106 ( -7.105 14.842 0.000) 16.455 14.841 ( -7.610 -7.773 0.000) 10.878 15.142 ( 2.451 -0.150 0.000) 2.456 15.209 ( 5.978 -0.766 0.000) 6.027 15.844 ( 0.127 7.120 0.000) 7.122 16.069 ( 0.813 2.003 0.000) 2.162 16.081 ( 11.659 -3.109 0.000) 12.066 16.294 ( 10.595 -4.535 0.000) 11.525 16.559 ( 10.974 0.114 0.000) 10.975 16.794 ( -0.189 -4.364 0.000) 4.368 24.196 ( 0.088 1.158 0.000) 1.162 24.346 ( -0.421 -2.653 0.000) 2.686 24.441 ( 0.778 -0.042 0.000) 0.779 24.523 ( 1.158 -2.307 0.000) 2.581 24.571 ( -0.312 6.332 0.000) 6.340 24.800 ( -0.322 -1.024 0.000) 1.073 25.354 ( -7.982 7.505 0.000) 10.956 25.487 ( -7.192 4.146 0.000) 8.302 26.653 ( -3.562 0.165 0.000) 3.566 26.813 ( -1.214 -5.093 0.000) 5.236 27.005 ( -3.687 -2.401 0.000) 4.400 27.090 ( -2.138 -3.517 0.000) 4.116 27.244 ( 2.274 7.576 0.000) 7.909 27.521 ( 6.580 0.920 0.000) 6.644 27.855 ( -2.228 2.448 0.000) 3.310 28.395 ( 7.602 -13.731 0.000) 15.695 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -6.611 9.754 0.000) 11.783 1.597 ( 5.416 11.984 0.000) 13.151 1.721 ( 1.688 7.882 0.000) 8.061 1.879 ( 8.433 3.901 0.000) 9.292 1.975 ( 0.443 -0.132 0.000) 0.462 2.104 ( -2.073 9.774 0.000) 9.992 2.166 ( 10.629 18.826 0.000) 21.619 2.307 ( 1.448 10.059 0.000) 10.163 2.355 ( -1.232 0.274 0.000) 1.262 2.577 ( -5.929 -4.129 0.000) 7.225 2.778 ( -11.859 5.122 0.000) 12.918 2.871 ( -2.290 -4.501 0.000) 5.050 2.967 ( -0.387 -4.670 0.000) 4.686 3.343 ( 4.247 -2.690 0.000) 5.027 3.433 ( 0.771 6.126 0.000) 6.174 3.435 ( 3.044 -7.985 0.000) 8.545 3.539 ( -1.895 -6.138 0.000) 6.424 3.653 ( 0.477 -6.102 0.000) 6.120 3.675 ( 5.156 2.425 0.000) 5.698 3.748 ( 4.860 -0.850 0.000) 4.934 3.987 ( -3.859 0.094 0.000) 3.861 4.079 ( 14.855 2.996 0.000) 15.154 4.124 ( -1.816 -4.455 0.000) 4.811 4.206 ( 1.585 8.994 0.000) 9.133 4.315 ( 9.042 -0.039 0.000) 9.043 4.487 ( -0.537 -2.279 0.000) 2.341 4.506 ( 3.875 0.520 0.000) 3.909 4.540 ( 0.551 5.419 0.000) 5.447 4.730 ( 2.445 0.503 0.000) 2.496 4.779 ( -0.935 -2.643 0.000) 2.804 4.860 ( 10.421 -0.305 0.000) 10.425 4.987 ( 19.243 9.214 0.000) 21.335 5.065 ( 3.407 -4.319 0.000) 5.501 5.536 ( 19.025 -0.318 0.000) 19.027 5.686 ( 13.402 -9.114 0.000) 16.208 5.768 ( 16.219 -3.551 0.000) 16.603 6.460 ( 1.600 7.151 0.000) 7.328 6.649 ( -2.067 2.820 0.000) 3.496 6.898 ( -4.706 3.773 0.000) 6.031 7.034 ( -0.848 -0.714 0.000) 1.109 7.197 ( -0.757 6.335 0.000) 6.380 7.506 ( 0.767 -2.565 0.000) 2.677 7.599 ( -1.680 1.998 0.000) 2.611 7.614 ( -3.531 -0.059 0.000) 3.532 7.638 ( -2.119 0.334 0.000) 2.145 7.681 ( -2.424 0.043 0.000) 2.425 7.737 ( -3.360 -3.649 0.000) 4.961 7.811 ( -3.856 2.484 0.000) 4.587 8.259 ( -2.696 -1.779 0.000) 3.230 8.572 ( -2.628 -11.052 0.000) 11.361 8.699 ( -7.328 -10.314 0.000) 12.652 8.853 ( -1.170 -11.542 0.000) 11.601 8.969 ( -0.080 16.674 0.000) 16.674 9.203 ( -0.581 6.664 0.000) 6.689 9.266 ( -2.880 7.525 0.000) 8.057 9.621 ( 1.416 -2.908 0.000) 3.234 9.638 ( 2.124 3.632 0.000) 4.208 10.249 ( -2.556 -2.437 0.000) 3.532 10.294 ( 2.487 -2.990 0.000) 3.889 10.343 ( -3.468 -8.038 0.000) 8.754 10.486 ( -1.630 -12.621 0.000) 12.725 10.597 ( -2.101 -0.291 0.000) 2.121 10.690 ( -7.499 -1.734 0.000) 7.697 10.785 ( -0.514 -18.128 0.000) 18.135 12.150 ( -0.487 8.686 0.000) 8.700 12.432 ( -5.645 10.141 0.000) 11.607 12.652 ( -2.682 -5.158 0.000) 5.813 13.145 ( -0.567 -10.119 0.000) 10.135 13.176 ( -4.186 15.652 0.000) 16.202 13.913 ( -4.302 -7.779 0.000) 8.889 13.975 ( -5.240 15.517 0.000) 16.378 14.737 ( -2.923 -8.017 0.000) 8.533 15.163 ( 0.258 0.598 0.000) 0.651 15.307 ( 3.163 -2.320 0.000) 3.923 15.783 ( -3.641 12.665 0.000) 13.178 16.089 ( 1.018 4.613 0.000) 4.724 16.274 ( 6.419 -1.049 0.000) 6.504 16.473 ( 6.411 -6.541 0.000) 9.159 16.751 ( 6.731 -2.827 0.000) 7.300 16.790 ( 0.063 -4.258 0.000) 4.259 24.198 ( 0.139 0.911 0.000) 0.921 24.338 ( -0.370 -2.597 0.000) 2.623 24.459 ( 0.793 0.124 0.000) 0.803 24.541 ( 0.567 -2.107 0.000) 2.182 24.566 ( -0.206 5.967 0.000) 5.971 24.794 ( -0.228 -1.206 0.000) 1.228 25.245 ( -2.352 5.839 0.000) 6.295 25.357 ( -5.865 2.260 0.000) 6.285 26.598 ( -1.848 0.779 0.000) 2.006 26.793 ( -0.708 -5.446 0.000) 5.492 26.940 ( -2.410 -1.145 0.000) 2.668 27.047 ( -1.784 -3.292 0.000) 3.744 27.281 ( 1.349 8.411 0.000) 8.519 27.631 ( 3.950 -0.419 0.000) 3.973 27.791 ( -2.952 6.712 0.000) 7.332 28.518 ( 4.089 -15.736 0.000) 16.259 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 10.333 0.000) 10.333 1.638 ( -0.000 15.596 0.000) 15.596 1.751 ( 0.000 5.118 0.000) 5.118 1.976 ( 0.000 -3.861 0.000) 3.861 1.982 ( 0.000 -2.244 0.000) 2.244 2.073 ( -0.000 9.724 0.000) 9.724 2.321 ( -0.000 9.881 0.000) 9.881 2.343 ( -0.000 14.536 0.000) 14.536 2.359 ( 0.000 3.675 0.000) 3.675 2.500 ( -0.000 -2.382 0.000) 2.382 2.590 ( 0.000 9.528 0.000) 9.528 2.841 ( 0.000 -1.948 0.000) 1.948 2.965 ( 0.000 -5.714 0.000) 5.714 3.400 ( -0.000 -3.315 0.000) 3.315 3.428 ( 0.000 7.776 0.000) 7.776 3.482 ( 0.000 -9.153 0.000) 9.153 3.498 ( -0.000 -6.312 0.000) 6.312 3.648 ( -0.000 -9.069 0.000) 9.069 3.731 ( 0.000 3.485 0.000) 3.485 3.844 ( 0.000 0.710 0.000) 0.710 3.905 ( -0.000 -1.748 0.000) 1.748 4.100 ( 0.000 -5.863 0.000) 5.863 4.201 ( 0.000 8.214 0.000) 8.214 4.262 ( 0.000 3.232 0.000) 3.232 4.419 ( 0.000 -0.103 0.000) 0.103 4.448 ( -0.000 0.358 0.000) 0.358 4.536 ( -0.000 2.856 0.000) 2.856 4.559 ( 0.000 1.113 0.000) 1.113 4.723 ( -0.000 0.428 0.000) 0.428 4.783 ( 0.000 -0.846 0.000) 0.846 4.973 ( 0.000 -0.741 0.000) 0.741 5.100 ( 0.000 -3.840 0.000) 3.840 5.233 ( 0.000 6.793 0.000) 6.793 5.836 ( 0.000 -9.733 0.000) 9.733 5.851 ( -0.000 1.515 0.000) 1.515 5.870 ( 0.000 0.581 0.000) 0.581 6.501 ( -0.000 7.763 0.000) 7.763 6.616 ( 0.000 2.416 0.000) 2.416 6.847 ( 0.000 3.184 0.000) 3.184 7.030 ( -0.000 -1.241 0.000) 1.241 7.181 ( 0.000 6.631 0.000) 6.631 7.517 ( 0.000 -3.348 0.000) 3.348 7.576 ( 0.000 -1.791 0.000) 1.791 7.603 ( 0.000 3.003 0.000) 3.003 7.629 ( 0.000 -0.951 0.000) 0.951 7.661 ( 0.000 -0.919 0.000) 0.919 7.670 ( -0.000 -2.400 0.000) 2.400 7.735 ( 0.000 -1.311 0.000) 1.311 8.222 ( 0.000 -1.553 0.000) 1.553 8.540 ( 0.000 -10.654 0.000) 10.654 8.598 ( 0.000 -9.565 0.000) 9.565 8.840 ( 0.000 -11.449 0.000) 11.449 8.971 ( 0.000 17.130 0.000) 17.130 9.196 ( 0.000 6.721 0.000) 6.721 9.236 ( 0.000 10.831 0.000) 10.831 9.634 ( 0.000 -3.306 0.000) 3.306 9.665 ( 0.000 2.842 0.000) 2.842 10.206 ( 0.000 2.864 0.000) 2.864 10.319 ( 0.000 -10.138 0.000) 10.138 10.331 ( -0.000 -3.156 0.000) 3.156 10.473 ( 0.000 -15.955 0.000) 15.955 10.560 ( 0.000 -2.008 0.000) 2.008 10.614 ( 0.000 0.317 0.000) 0.317 10.779 ( 0.000 -17.887 0.000) 17.887 12.144 ( 0.000 8.122 0.000) 8.122 12.376 ( 0.000 9.596 0.000) 9.596 12.623 ( 0.000 -4.977 0.000) 4.977 13.135 ( 0.000 15.924 0.000) 15.924 13.139 ( 0.000 -11.636 0.000) 11.636 13.870 ( 0.000 -7.527 0.000) 7.527 13.918 ( 0.000 16.151 0.000) 16.151 14.710 ( -0.000 -8.365 0.000) 8.365 15.164 ( 0.000 0.775 0.000) 0.775 15.338 ( -0.000 -3.122 0.000) 3.122 15.741 ( -0.000 14.401 0.000) 14.401 16.101 ( 0.000 5.715 0.000) 5.715 16.338 ( 0.000 -0.328 0.000) 0.328 16.540 ( 0.000 -7.106 0.000) 7.106 16.783 ( 0.000 -4.032 0.000) 4.032 16.828 ( 0.000 -3.429 0.000) 3.429 24.200 ( -0.000 0.791 0.000) 0.791 24.333 ( 0.000 -2.558 0.000) 2.558 24.468 ( -0.000 0.097 0.000) 0.097 24.547 ( -0.000 -1.925 0.000) 1.925 24.563 ( 0.000 5.819 0.000) 5.819 24.791 ( 0.000 -1.282 0.000) 1.282 25.244 ( 0.000 4.691 0.000) 4.691 25.274 ( -0.000 1.892 0.000) 1.892 26.579 ( 0.000 0.974 0.000) 0.974 26.785 ( 0.000 -5.563 0.000) 5.563 26.915 ( 0.000 -0.620 0.000) 0.620 27.028 ( 0.000 -3.210 0.000) 3.210 27.295 ( -0.000 8.751 0.000) 8.751 27.672 ( 0.000 -0.892 0.000) 0.892 27.759 ( 0.000 8.265 0.000) 8.265 28.559 ( 0.000 -16.217 0.000) 16.217 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 12.901 0.000) 12.901 1.601 ( 0.000 -3.824 0.000) 3.824 1.695 ( 0.000 25.076 0.000) 25.076 1.962 ( 0.000 3.163 0.000) 3.163 2.019 ( 0.000 -2.178 0.000) 2.178 2.134 ( 0.000 -16.979 0.000) 16.979 2.509 ( 0.000 22.807 0.000) 22.807 2.582 ( 0.000 16.311 0.000) 16.311 2.619 ( 0.000 7.786 0.000) 7.786 2.703 ( 0.000 -1.185 0.000) 1.185 2.790 ( 0.000 -0.736 0.000) 0.736 2.838 ( 0.000 -9.929 0.000) 9.929 2.936 ( 0.000 -5.457 0.000) 5.457 2.943 ( 0.000 -10.247 0.000) 10.247 3.036 ( 0.000 -0.331 0.000) 0.331 3.079 ( 0.000 -3.490 0.000) 3.490 3.179 ( 0.000 0.321 0.000) 0.321 3.242 ( 0.000 -6.197 0.000) 6.197 3.553 ( 0.000 26.475 0.000) 26.475 3.609 ( 0.000 -0.505 0.000) 0.505 3.629 ( 0.000 -2.085 0.000) 2.085 3.847 ( 0.000 0.848 0.000) 0.848 3.881 ( 0.000 -1.865 0.000) 1.865 4.044 ( 0.000 -14.162 0.000) 14.162 4.045 ( 0.000 0.070 0.000) 0.070 4.052 ( 0.000 2.506 0.000) 2.506 4.061 ( 0.000 -0.573 0.000) 0.573 4.129 ( 0.000 -10.815 0.000) 10.815 4.481 ( 0.000 9.991 0.000) 9.991 4.659 ( 0.000 -7.195 0.000) 7.195 4.702 ( 0.000 7.591 0.000) 7.591 4.822 ( 0.000 5.658 0.000) 5.658 4.870 ( 0.000 -9.209 0.000) 9.209 4.943 ( 0.000 -6.234 0.000) 6.234 5.077 ( 0.000 9.056 0.000) 9.056 5.232 ( 0.000 -6.466 0.000) 6.466 6.728 ( 0.000 4.078 0.000) 4.078 6.775 ( 0.000 -0.152 0.000) 0.152 7.143 ( 0.000 5.884 0.000) 5.884 7.161 ( 0.000 4.787 0.000) 4.787 7.273 ( 0.000 -6.601 0.000) 6.601 7.283 ( 0.000 -7.221 0.000) 7.221 7.685 ( 0.000 3.029 0.000) 3.029 7.721 ( 0.000 -0.776 0.000) 0.776 7.782 ( 0.000 0.500 0.000) 0.500 7.794 ( 0.000 -1.108 0.000) 1.108 7.983 ( 0.000 9.731 0.000) 9.731 8.198 ( 0.000 -10.948 0.000) 10.948 8.343 ( 0.000 1.438 0.000) 1.438 8.394 ( 0.000 -3.241 0.000) 3.241 8.544 ( 0.000 2.390 0.000) 2.390 8.656 ( 0.000 -9.117 0.000) 9.117 9.273 ( 0.000 1.472 0.000) 1.472 9.274 ( 0.000 4.800 0.000) 4.800 9.375 ( 0.000 12.313 0.000) 12.313 9.526 ( 0.000 11.682 0.000) 11.682 9.574 ( 0.000 -6.555 0.000) 6.555 9.868 ( 0.000 -19.129 0.000) 19.129 10.284 ( 0.000 5.310 0.000) 5.310 10.426 ( 0.000 -8.766 0.000) 8.766 10.615 ( 0.000 0.273 0.000) 0.273 10.643 ( 0.000 -2.369 0.000) 2.369 10.843 ( 0.000 4.550 0.000) 4.550 10.972 ( 0.000 -7.618 0.000) 7.618 12.422 ( 0.000 12.430 0.000) 12.430 12.645 ( 0.000 -9.593 0.000) 9.593 13.148 ( 0.000 -0.141 0.000) 0.141 13.151 ( 0.000 -0.220 0.000) 0.220 13.900 ( 0.000 14.250 0.000) 14.250 14.171 ( 0.000 -12.646 0.000) 12.646 14.672 ( 0.000 16.615 0.000) 16.615 14.951 ( 0.000 0.821 0.000) 0.821 14.973 ( 0.000 -13.113 0.000) 13.113 14.983 ( 0.000 -2.581 0.000) 2.581 15.462 ( 0.000 6.650 0.000) 6.650 15.606 ( 0.000 -7.418 0.000) 7.418 16.006 ( 0.000 2.012 0.000) 2.012 16.044 ( 0.000 -1.717 0.000) 1.717 16.535 ( 0.000 8.672 0.000) 8.672 16.689 ( 0.000 -6.490 0.000) 6.490 24.236 ( 0.000 2.641 0.000) 2.641 24.296 ( 0.000 -3.143 0.000) 3.143 24.428 ( 0.000 0.315 0.000) 0.315 24.446 ( 0.000 -1.327 0.000) 1.327 24.701 ( 0.000 4.997 0.000) 4.997 24.776 ( 0.000 -2.548 0.000) 2.548 25.677 ( 0.000 7.784 0.000) 7.784 25.831 ( 0.000 -7.209 0.000) 7.209 26.764 ( 0.000 -0.469 0.000) 0.469 26.777 ( 0.000 -1.878 0.000) 1.878 27.023 ( 0.000 1.295 0.000) 1.295 27.072 ( 0.000 -3.365 0.000) 3.365 27.294 ( 0.000 4.896 0.000) 4.896 27.352 ( 0.000 -0.669 0.000) 0.669 27.859 ( 0.000 10.245 0.000) 10.245 28.060 ( 0.000 -10.055 0.000) 10.055 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 5.181 11.394 0.000) 12.517 1.636 ( 3.349 -3.306 0.000) 4.706 1.801 ( 6.079 17.329 0.000) 18.364 1.924 ( -6.454 0.468 0.000) 6.471 1.989 ( 1.340 4.252 0.000) 4.458 2.218 ( 6.192 -11.902 0.000) 13.416 2.499 ( -0.226 23.197 0.000) 23.198 2.511 ( -5.264 11.585 0.000) 12.724 2.550 ( -6.165 6.836 0.000) 9.205 2.682 ( -1.853 -1.201 0.000) 2.208 2.797 ( -2.974 -9.027 0.000) 9.504 2.851 ( 2.063 -10.667 0.000) 10.865 2.978 ( -3.011 0.384 0.000) 3.035 3.060 ( 12.000 -1.908 0.000) 12.151 3.063 ( -0.823 -5.712 0.000) 5.771 3.101 ( 13.428 -4.383 0.000) 14.125 3.288 ( 8.896 1.160 0.000) 8.971 3.343 ( 8.881 -3.984 0.000) 9.734 3.655 ( 3.390 1.586 0.000) 3.743 3.696 ( 2.485 -1.503 0.000) 2.904 3.701 ( 12.402 24.409 0.000) 27.379 3.854 ( 3.965 -0.296 0.000) 3.976 3.869 ( 3.631 -2.430 0.000) 4.369 4.053 ( 0.688 1.082 0.000) 1.283 4.092 ( 1.954 -2.051 0.000) 2.832 4.114 ( 6.586 -3.133 0.000) 7.293 4.187 ( 11.347 -8.483 0.000) 14.168 4.216 ( 7.286 -7.852 0.000) 10.712 4.534 ( 5.305 8.631 0.000) 10.131 4.670 ( 1.390 -2.119 0.000) 2.534 4.743 ( 3.006 6.223 0.000) 6.911 4.813 ( 0.245 1.066 0.000) 1.094 4.939 ( 6.739 -6.628 0.000) 9.452 4.978 ( 4.354 -7.612 0.000) 8.769 5.041 ( -2.918 9.844 0.000) 10.267 5.219 ( -0.657 -7.469 0.000) 7.497 6.677 ( -3.794 5.427 0.000) 6.622 6.751 ( -2.240 -1.424 0.000) 2.655 7.137 ( -2.271 3.552 0.000) 4.216 7.205 ( 4.997 5.729 0.000) 7.603 7.220 ( -5.656 -4.349 0.000) 7.134 7.324 ( 4.194 -5.721 0.000) 7.094 7.673 ( -1.287 1.690 0.000) 2.125 7.703 ( -1.774 -1.274 0.000) 2.184 7.760 ( -2.020 0.471 0.000) 2.074 7.774 ( -1.796 -1.098 0.000) 2.105 7.966 ( -2.093 8.523 0.000) 8.776 8.100 ( -7.175 -2.882 0.000) 7.732 8.326 ( -0.930 2.603 0.000) 2.764 8.415 ( 1.005 -5.966 0.000) 6.050 8.597 ( 3.217 -3.546 0.000) 4.788 8.653 ( 0.093 -8.155 0.000) 8.156 9.264 ( 0.408 6.455 0.000) 6.468 9.320 ( 2.761 2.839 0.000) 3.960 9.426 ( 4.055 11.233 0.000) 11.943 9.530 ( 0.304 9.941 0.000) 9.946 9.602 ( 2.157 -5.059 0.000) 5.500 9.873 ( 0.384 -19.756 0.000) 19.760 10.263 ( -1.625 4.141 0.000) 4.448 10.413 ( -1.272 -10.807 0.000) 10.882 10.571 ( -4.237 0.122 0.000) 4.238 10.594 ( -4.586 -2.064 0.000) 5.029 10.808 ( -3.157 4.335 0.000) 5.363 10.924 ( -4.653 -6.709 0.000) 8.164 12.410 ( -1.156 11.986 0.000) 12.042 12.626 ( -1.840 -9.317 0.000) 9.497 13.033 ( -9.612 4.410 0.000) 10.575 13.110 ( -4.066 -3.259 0.000) 5.211 13.789 ( -9.253 13.817 0.000) 16.629 14.048 ( -9.939 -11.960 0.000) 15.551 14.557 ( -8.387 15.089 0.000) 17.263 14.834 ( -10.149 -12.284 0.000) 15.934 15.038 ( 6.819 0.829 0.000) 6.870 15.065 ( 6.140 -1.998 0.000) 6.457 15.676 ( 16.688 4.779 0.000) 17.359 15.786 ( 13.054 -5.829 0.000) 14.297 16.052 ( 3.498 0.909 0.000) 3.614 16.075 ( 3.900 -1.240 0.000) 4.092 16.540 ( 0.891 8.011 0.000) 8.061 16.688 ( -0.029 -6.501 0.000) 6.501 24.235 ( -0.127 2.584 0.000) 2.587 24.294 ( -0.214 -3.116 0.000) 3.123 24.433 ( 0.578 0.663 0.000) 0.879 24.458 ( 0.993 -1.650 0.000) 1.926 24.697 ( -0.410 4.979 0.000) 4.996 24.772 ( -0.360 -2.611 0.000) 2.635 25.619 ( -5.495 6.120 0.000) 8.224 25.719 ( -9.336 -3.236 0.000) 9.881 26.729 ( -2.808 0.529 0.000) 2.858 26.761 ( -1.623 -2.717 0.000) 3.165 27.019 ( -0.973 -0.221 0.000) 0.998 27.050 ( -1.711 -2.998 0.000) 3.452 27.327 ( 2.898 5.535 0.000) 6.248 27.400 ( 4.276 -1.561 0.000) 4.552 27.911 ( 3.859 7.796 0.000) 8.698 28.082 ( 2.304 -9.107 0.000) 9.393 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 7.378 8.058 0.000) 10.925 1.723 ( 4.667 -1.670 0.000) 4.956 1.747 ( -8.962 6.179 0.000) 10.886 1.831 ( -1.557 -0.646 0.000) 1.686 2.064 ( 2.495 10.602 0.000) 10.891 2.268 ( -2.583 -7.068 0.000) 7.525 2.434 ( -1.498 7.454 0.000) 7.603 2.464 ( -0.411 7.014 0.000) 7.026 2.515 ( 2.079 23.057 0.000) 23.151 2.628 ( -3.119 0.711 0.000) 3.199 2.748 ( -1.428 -8.356 0.000) 8.477 2.866 ( -0.259 -10.966 0.000) 10.969 2.942 ( -1.020 0.634 0.000) 1.201 3.071 ( 1.481 -10.771 0.000) 10.872 3.258 ( 5.786 0.280 0.000) 5.793 3.353 ( 7.663 -7.320 0.000) 10.597 3.462 ( 6.920 3.434 0.000) 7.725 3.536 ( 7.976 -3.773 0.000) 8.823 3.655 ( -0.945 2.364 0.000) 2.545 3.686 ( -0.080 -0.641 0.000) 0.646 3.985 ( 13.921 19.445 0.000) 23.914 4.029 ( 5.358 0.087 0.000) 5.359 4.043 ( 2.877 0.445 0.000) 2.911 4.139 ( 6.855 0.207 0.000) 6.858 4.188 ( 17.773 -4.655 0.000) 18.372 4.244 ( 4.957 -1.739 0.000) 5.254 4.377 ( 8.171 -1.565 0.000) 8.320 4.441 ( 11.455 -8.219 0.000) 14.099 4.689 ( 9.042 5.307 0.000) 10.485 4.699 ( 0.981 4.272 0.000) 4.383 4.783 ( 0.867 3.009 0.000) 3.132 4.865 ( 4.779 -5.415 0.000) 7.222 5.012 ( 2.310 12.718 0.000) 12.927 5.148 ( 15.807 -1.414 0.000) 15.870 5.219 ( 19.502 -7.665 0.000) 20.954 5.255 ( 5.748 -10.727 0.000) 12.170 6.611 ( -2.307 6.360 0.000) 6.766 6.701 ( -2.263 -2.220 0.000) 3.170 7.074 ( -4.037 0.984 0.000) 4.155 7.086 ( -6.443 0.176 0.000) 6.445 7.299 ( 3.537 5.976 0.000) 6.945 7.405 ( 3.114 -4.538 0.000) 5.503 7.633 ( -2.570 -0.016 0.000) 2.570 7.653 ( -2.796 -1.935 0.000) 3.400 7.706 ( -3.149 0.691 0.000) 3.224 7.732 ( -2.227 -1.669 0.000) 2.783 7.883 ( -5.905 7.295 0.000) 9.385 7.975 ( -5.343 0.407 0.000) 5.359 8.307 ( -1.297 2.684 0.000) 2.981 8.414 ( -1.241 -8.028 0.000) 8.124 8.610 ( -1.727 -4.553 0.000) 4.869 8.667 ( 0.041 -8.028 0.000) 8.028 9.281 ( 1.126 10.364 0.000) 10.425 9.371 ( 1.963 6.367 0.000) 6.662 9.495 ( 2.071 11.471 0.000) 11.657 9.534 ( 0.038 4.732 0.000) 4.732 9.643 ( 1.928 -1.973 0.000) 2.758 9.882 ( 0.487 -21.556 0.000) 21.562 10.234 ( -0.954 1.450 0.000) 1.736 10.385 ( -1.144 -14.096 0.000) 14.142 10.454 ( -6.812 0.543 0.000) 6.834 10.480 ( -5.960 -1.942 0.000) 6.268 10.730 ( -4.214 2.667 0.000) 4.987 10.797 ( -7.204 -3.961 0.000) 8.221 12.378 ( -1.880 10.908 0.000) 11.068 12.576 ( -2.870 -8.636 0.000) 9.100 12.825 ( -9.657 10.077 0.000) 13.957 13.010 ( -5.175 -8.395 0.000) 9.862 13.599 ( -8.281 13.704 0.000) 16.012 13.850 ( -8.437 -11.317 0.000) 14.116 14.396 ( -7.177 13.847 0.000) 15.596 14.650 ( -7.380 -11.304 0.000) 13.499 15.152 ( 3.517 1.106 0.000) 3.687 15.182 ( 4.905 -1.712 0.000) 5.195 15.966 ( 8.240 4.693 0.000) 9.483 16.033 ( 11.777 -2.331 0.000) 12.006 16.124 ( 3.922 3.452 0.000) 5.225 16.203 ( 7.358 -4.387 0.000) 8.566 16.595 ( 4.731 3.596 0.000) 5.943 16.691 ( 0.490 -5.515 0.000) 5.537 24.232 ( -0.154 2.409 0.000) 2.413 24.288 ( -0.336 -3.019 0.000) 3.037 24.451 ( 1.028 1.000 0.000) 1.434 24.480 ( 1.135 -1.901 0.000) 2.214 24.687 ( -0.555 4.919 0.000) 4.950 24.763 ( -0.506 -2.750 0.000) 2.796 25.473 ( -8.057 4.490 0.000) 9.224 25.526 ( -8.649 -0.545 0.000) 8.667 26.670 ( -2.675 1.654 0.000) 3.145 26.723 ( -1.837 -3.656 0.000) 4.091 26.979 ( -2.456 0.104 0.000) 2.458 27.014 ( -1.905 -3.289 0.000) 3.801 27.394 ( 3.402 6.879 0.000) 7.674 27.499 ( 4.921 -3.262 0.000) 5.904 27.964 ( 1.100 7.869 0.000) 7.946 28.152 ( 3.995 -10.730 0.000) 11.450 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.784 10.079 0.000) 11.156 1.761 ( 5.284 5.047 0.000) 7.308 1.792 ( -1.718 -8.346 0.000) 8.521 1.804 ( 2.918 0.770 0.000) 3.018 2.069 ( -0.824 6.323 0.000) 6.376 2.183 ( -4.073 -3.881 0.000) 5.626 2.451 ( 1.969 7.376 0.000) 7.634 2.478 ( 0.601 5.252 0.000) 5.286 2.577 ( -1.712 5.392 0.000) 5.657 2.588 ( 4.954 19.731 0.000) 20.343 2.733 ( -0.270 -8.026 0.000) 8.030 2.834 ( -3.184 -2.820 0.000) 4.253 2.925 ( -0.647 1.934 0.000) 2.039 3.109 ( 1.934 -14.730 0.000) 14.857 3.298 ( -0.177 -2.603 0.000) 2.609 3.384 ( -2.509 -8.478 0.000) 8.841 3.555 ( 2.512 5.333 0.000) 5.895 3.625 ( 1.312 -1.349 0.000) 1.882 3.718 ( 5.874 1.630 0.000) 6.096 3.739 ( 5.208 -0.515 0.000) 5.234 3.990 ( -4.177 0.596 0.000) 4.219 4.029 ( -3.605 -3.616 0.000) 5.105 4.201 ( 7.132 7.774 0.000) 10.550 4.307 ( 1.383 -0.607 0.000) 1.510 4.358 ( 7.798 3.305 0.000) 8.469 4.428 ( 4.503 -3.461 0.000) 5.680 4.527 ( 6.045 2.847 0.000) 6.682 4.598 ( 3.913 -1.740 0.000) 4.282 4.721 ( 1.424 0.458 0.000) 1.496 4.744 ( -1.344 -0.645 0.000) 1.491 4.897 ( 7.331 2.940 0.000) 7.898 4.968 ( 4.284 -4.465 0.000) 6.188 5.208 ( 14.837 12.462 0.000) 19.376 5.464 ( 12.554 -12.534 0.000) 17.739 5.571 ( 22.808 3.897 0.000) 23.138 5.675 ( 21.241 -5.659 0.000) 21.982 6.594 ( 0.797 5.609 0.000) 5.665 6.667 ( -1.151 -1.375 0.000) 1.793 6.963 ( -4.481 2.776 0.000) 5.271 7.009 ( -2.600 -1.813 0.000) 3.170 7.336 ( 0.177 6.602 0.000) 6.604 7.440 ( 0.565 -4.007 0.000) 4.047 7.581 ( -1.957 0.014 0.000) 1.957 7.612 ( -0.939 -2.740 0.000) 2.897 7.639 ( -3.083 0.620 0.000) 3.145 7.675 ( -3.577 -2.561 0.000) 4.399 7.741 ( -7.469 6.396 0.000) 9.833 7.842 ( -8.246 -1.922 0.000) 8.468 8.268 ( -2.255 2.637 0.000) 3.469 8.373 ( -2.192 -8.007 0.000) 8.302 8.548 ( -3.754 -1.448 0.000) 4.023 8.641 ( -1.786 -8.957 0.000) 9.133 9.311 ( 1.874 11.904 0.000) 12.051 9.390 ( -0.220 12.856 0.000) 12.857 9.516 ( 0.478 13.830 0.000) 13.839 9.531 ( -0.225 -1.634 0.000) 1.650 9.683 ( 1.742 -1.305 0.000) 2.177 9.892 ( 0.439 -23.938 0.000) 23.942 10.233 ( 0.831 -0.921 0.000) 1.240 10.326 ( -5.025 2.329 0.000) 5.538 10.367 ( -0.928 -14.981 0.000) 15.010 10.377 ( -3.731 -2.846 0.000) 4.693 10.651 ( -3.242 0.407 0.000) 3.267 10.666 ( -4.884 -0.952 0.000) 4.976 12.342 ( -1.466 9.794 0.000) 9.903 12.521 ( -2.224 -7.901 0.000) 8.208 12.670 ( -5.289 12.682 0.000) 13.740 12.920 ( -3.299 -12.102 0.000) 12.544 13.475 ( -3.874 13.862 0.000) 14.393 13.724 ( -3.933 -10.995 0.000) 11.677 14.276 ( -4.324 14.356 0.000) 14.993 14.539 ( -3.569 -11.703 0.000) 12.235 15.191 ( 0.844 2.302 0.000) 2.452 15.249 ( 1.820 -3.208 0.000) 3.688 16.036 ( 0.683 11.749 0.000) 11.769 16.200 ( 3.102 6.318 0.000) 7.038 16.216 ( 5.573 -5.650 0.000) 7.937 16.335 ( 4.966 -7.022 0.000) 8.601 16.703 ( 4.153 -1.514 0.000) 4.421 16.712 ( 1.931 -2.603 0.000) 3.241 24.230 ( -0.083 2.170 0.000) 2.171 24.281 ( -0.267 -2.865 0.000) 2.878 24.470 ( 0.782 1.045 0.000) 1.305 24.500 ( 0.735 -1.863 0.000) 2.003 24.677 ( -0.379 4.842 0.000) 4.857 24.754 ( -0.355 -2.876 0.000) 2.898 25.339 ( -4.394 3.422 0.000) 5.570 25.378 ( -5.752 -0.417 0.000) 5.767 26.628 ( -1.428 2.321 0.000) 2.725 26.693 ( -1.017 -4.232 0.000) 4.352 26.936 ( -1.590 0.905 0.000) 1.829 26.978 ( -1.444 -3.122 0.000) 3.440 27.452 ( 2.092 8.036 0.000) 8.304 27.582 ( 3.002 -4.612 0.000) 5.503 27.969 ( -0.238 10.871 0.000) 10.873 28.218 ( 2.218 -13.901 0.000) 14.076 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 11.147 0.000) 11.147 1.773 ( 0.000 -10.530 0.000) 10.530 1.822 ( -0.000 3.777 0.000) 3.777 1.830 ( 0.000 2.262 0.000) 2.262 2.060 ( 0.000 3.974 0.000) 3.974 2.137 ( -0.000 -2.650 0.000) 2.650 2.478 ( 0.000 5.601 0.000) 5.601 2.481 ( 0.000 4.699 0.000) 4.699 2.559 ( -0.000 8.429 0.000) 8.429 2.676 ( -0.000 14.831 0.000) 14.831 2.732 ( 0.000 -7.742 0.000) 7.742 2.764 ( 0.000 5.726 0.000) 5.726 2.918 ( 0.000 2.936 0.000) 2.936 3.132 ( 0.000 -16.341 0.000) 16.341 3.304 ( 0.000 -6.404 0.000) 6.404 3.336 ( -0.000 -8.459 0.000) 8.459 3.579 ( 0.000 5.760 0.000) 5.760 3.629 ( 0.000 0.626 0.000) 0.626 3.801 ( 0.000 3.336 0.000) 3.336 3.861 ( -0.000 -2.630 0.000) 2.630 3.882 ( 0.000 3.109 0.000) 3.109 3.971 ( 0.000 -5.874 0.000) 5.874 4.288 ( 0.000 1.720 0.000) 1.720 4.302 ( -0.000 0.438 0.000) 0.438 4.436 ( 0.000 1.158 0.000) 1.158 4.451 ( 0.000 -0.230 0.000) 0.230 4.603 ( -0.000 3.591 0.000) 3.591 4.619 ( 0.000 2.766 0.000) 2.766 4.721 ( 0.000 -0.109 0.000) 0.109 4.747 ( -0.000 -2.513 0.000) 2.513 4.975 ( 0.000 0.752 0.000) 0.752 5.014 ( 0.000 -3.533 0.000) 3.533 5.400 ( -0.000 9.819 0.000) 9.819 5.617 ( 0.000 -11.498 0.000) 11.498 5.881 ( -0.000 1.290 0.000) 1.290 5.890 ( 0.000 0.568 0.000) 0.568 6.622 ( -0.000 3.687 0.000) 3.687 6.648 ( 0.000 0.607 0.000) 0.607 6.915 ( 0.000 3.571 0.000) 3.571 6.985 ( -0.000 -3.149 0.000) 3.149 7.329 ( 0.000 7.161 0.000) 7.161 7.443 ( 0.000 -4.319 0.000) 4.319 7.565 ( 0.000 0.922 0.000) 0.922 7.609 ( -0.000 -2.815 0.000) 2.815 7.610 ( 0.000 -0.744 0.000) 0.744 7.617 ( -0.000 -1.837 0.000) 1.837 7.663 ( 0.000 1.959 0.000) 1.959 7.700 ( 0.000 -1.848 0.000) 1.848 8.240 ( 0.000 3.026 0.000) 3.026 8.348 ( 0.000 -7.868 0.000) 7.868 8.502 ( 0.000 1.118 0.000) 1.118 8.620 ( 0.000 -9.535 0.000) 9.535 9.343 ( 0.000 7.846 0.000) 7.846 9.374 ( -0.000 20.191 0.000) 20.191 9.521 ( 0.000 14.921 0.000) 14.921 9.529 ( 0.000 -4.225 0.000) 4.225 9.702 ( 0.000 -1.519 0.000) 1.519 9.897 ( 0.000 -25.221 0.000) 25.221 10.250 ( -0.000 -2.597 0.000) 2.597 10.272 ( 0.000 3.409 0.000) 3.409 10.339 ( 0.000 -3.385 0.000) 3.385 10.351 ( 0.000 -13.824 0.000) 13.824 10.613 ( -0.000 -0.375 0.000) 0.375 10.618 ( 0.000 -0.185 0.000) 0.185 12.326 ( 0.000 9.306 0.000) 9.306 12.497 ( 0.000 -7.564 0.000) 7.564 12.616 ( 0.000 13.308 0.000) 13.308 12.886 ( 0.000 -13.362 0.000) 13.362 13.437 ( 0.000 13.913 0.000) 13.913 13.686 ( 0.000 -10.873 0.000) 10.873 14.231 ( 0.000 14.865 0.000) 14.865 14.503 ( 0.000 -12.159 0.000) 12.159 15.198 ( 0.000 2.674 0.000) 2.674 15.266 ( -0.000 -3.807 0.000) 3.807 16.038 ( -0.000 14.283 0.000) 14.283 16.234 ( 0.000 7.344 0.000) 7.344 16.269 ( 0.000 -7.675 0.000) 7.675 16.387 ( 0.000 -7.856 0.000) 7.856 16.725 ( 0.000 -0.627 0.000) 0.627 16.758 ( 0.000 -3.190 0.000) 3.190 24.229 ( -0.000 2.047 0.000) 2.047 24.278 ( 0.000 -2.780 0.000) 2.780 24.479 ( 0.000 1.022 0.000) 1.022 24.508 ( -0.000 -1.815 0.000) 1.815 24.673 ( 0.000 4.808 0.000) 4.808 24.750 ( 0.000 -2.926 0.000) 2.926 25.306 ( 0.000 1.405 0.000) 1.405 25.306 ( -0.000 1.076 0.000) 1.076 26.613 ( 0.000 2.539 0.000) 2.539 26.683 ( 0.000 -4.420 0.000) 4.420 26.919 ( 0.000 1.191 0.000) 1.191 26.962 ( 0.000 -2.982 0.000) 2.982 27.474 ( 0.000 8.475 0.000) 8.475 27.613 ( 0.000 -5.104 0.000) 5.104 27.965 ( 0.000 12.197 0.000) 12.197 28.240 ( 0.000 -15.131 0.000) 15.131 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 0.000 28.715) 28.715 0.534 ( 0.000 0.000 28.613) 28.613 1.010 ( 0.000 0.000 49.903) 49.903 1.589 ( 0.000 0.000 0.443) 0.443 1.596 ( 0.000 0.000 -1.667) 1.667 1.614 ( 0.000 0.000 5.690) 5.690 1.793 ( 0.000 0.000 -6.662) 6.662 1.877 ( 0.000 0.000 -3.013) 3.013 2.080 ( 0.000 0.000 -14.182) 14.182 2.711 ( 0.000 0.000 5.437) 5.437 2.912 ( 0.000 0.000 -0.729) 0.729 2.969 ( 0.000 0.000 -2.994) 2.994 3.045 ( 0.000 0.000 -4.761) 4.761 3.117 ( 0.000 0.000 -9.951) 9.951 3.247 ( 0.000 0.000 6.987) 6.987 3.317 ( 0.000 0.000 -6.876) 6.876 3.410 ( 0.000 0.000 -0.938) 0.938 3.481 ( 0.000 0.000 6.243) 6.243 3.622 ( 0.000 0.000 -3.016) 3.016 3.662 ( 0.000 0.000 0.063) 0.063 3.760 ( 0.000 0.000 1.398) 1.398 3.782 ( 0.000 0.000 -9.592) 9.592 3.920 ( 0.000 0.000 -1.202) 1.202 4.011 ( 0.000 0.000 15.327) 15.327 4.150 ( 0.000 0.000 1.974) 1.974 4.265 ( 0.000 0.000 10.248) 10.248 4.277 ( 0.000 0.000 -6.912) 6.912 4.435 ( 0.000 0.000 0.173) 0.173 4.485 ( 0.000 0.000 -1.314) 1.314 4.550 ( 0.000 0.000 -4.580) 4.580 4.638 ( 0.000 0.000 2.165) 2.165 4.731 ( 0.000 0.000 2.665) 2.665 4.789 ( 0.000 0.000 1.715) 1.715 5.065 ( 0.000 0.000 3.335) 3.335 5.332 ( 0.000 0.000 -15.943) 15.943 5.358 ( 0.000 0.000 -5.792) 5.792 6.559 ( 0.000 0.000 3.428) 3.428 6.659 ( 0.000 0.000 6.735) 6.735 6.845 ( 0.000 0.000 -3.198) 3.198 7.031 ( 0.000 0.000 -3.123) 3.123 7.044 ( 0.000 0.000 2.964) 2.964 7.358 ( 0.000 0.000 -5.488) 5.488 7.506 ( 0.000 0.000 1.646) 1.646 7.675 ( 0.000 0.000 -1.806) 1.806 7.779 ( 0.000 0.000 1.725) 1.725 7.884 ( 0.000 0.000 -0.560) 0.560 7.972 ( 0.000 0.000 7.139) 7.139 8.217 ( 0.000 0.000 -0.298) 0.298 8.414 ( 0.000 0.000 1.524) 1.524 8.580 ( 0.000 0.000 -3.867) 3.867 8.761 ( 0.000 0.000 3.877) 3.877 8.873 ( 0.000 0.000 -0.564) 0.564 9.168 ( 0.000 0.000 -2.794) 2.794 9.200 ( 0.000 0.000 -2.712) 2.712 9.374 ( 0.000 0.000 1.852) 1.852 9.403 ( 0.000 0.000 0.228) 0.228 9.498 ( 0.000 0.000 5.317) 5.317 10.044 ( 0.000 0.000 -8.412) 8.412 10.496 ( 0.000 0.000 0.282) 0.282 10.510 ( 0.000 0.000 -0.147) 0.147 10.849 ( 0.000 0.000 6.868) 6.868 10.852 ( 0.000 0.000 2.528) 2.528 11.040 ( 0.000 0.000 -2.191) 2.191 11.259 ( 0.000 0.000 -4.039) 4.039 12.622 ( 0.000 0.000 -0.272) 0.272 12.624 ( 0.000 0.000 -0.340) 0.340 12.937 ( 0.000 0.000 2.350) 2.350 13.119 ( 0.000 0.000 -2.221) 2.221 13.306 ( 0.000 0.000 5.697) 5.697 13.744 ( 0.000 0.000 -5.320) 5.320 14.660 ( 0.000 0.000 5.226) 5.226 14.959 ( 0.000 0.000 2.998) 2.998 15.124 ( 0.000 0.000 -4.467) 4.467 15.323 ( 0.000 0.000 -10.614) 10.614 15.863 ( 0.000 0.000 -1.141) 1.141 15.916 ( 0.000 0.000 -2.734) 2.734 15.973 ( 0.000 0.000 2.392) 2.392 16.010 ( 0.000 0.000 1.737) 1.737 16.219 ( 0.000 0.000 11.913) 11.913 16.810 ( 0.000 0.000 -5.472) 5.472 24.202 ( 0.000 0.000 2.884) 2.884 24.415 ( 0.000 0.000 0.065) 0.065 24.451 ( 0.000 0.000 -3.806) 3.806 24.485 ( 0.000 0.000 -2.114) 2.114 24.875 ( 0.000 0.000 6.278) 6.278 24.904 ( 0.000 0.000 3.151) 3.151 25.062 ( 0.000 0.000 -1.236) 1.236 25.328 ( 0.000 0.000 -5.598) 5.598 26.906 ( 0.000 0.000 3.246) 3.246 27.069 ( 0.000 0.000 0.459) 0.459 27.099 ( 0.000 0.000 -0.042) 0.042 27.173 ( 0.000 0.000 1.455) 1.455 27.197 ( 0.000 0.000 -4.428) 4.428 27.294 ( 0.000 0.000 -1.372) 1.372 27.907 ( 0.000 0.000 4.828) 4.828 28.226 ( 0.000 0.000 -3.527) 3.527 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 19.669 0.000 18.791) 27.202 0.857 ( 17.074 0.000 20.635) 26.782 1.375 ( 7.960 0.000 13.482) 15.656 1.429 ( 14.313 0.000 26.665) 30.263 1.507 ( -6.874 0.000 -1.234) 6.984 1.654 ( 4.638 0.000 5.229) 6.990 1.877 ( 5.979 0.000 -2.556) 6.502 1.930 ( 7.089 0.000 -0.519) 7.108 2.011 ( -5.863 0.000 -8.710) 10.500 2.780 ( 4.218 0.000 -3.682) 5.600 2.925 ( 3.020 0.000 -4.186) 5.162 2.978 ( -0.878 0.000 0.365) 0.951 3.109 ( 0.008 0.000 -7.649) 7.649 3.164 ( 5.326 0.000 -1.079) 5.435 3.288 ( 8.321 0.000 -2.549) 8.702 3.364 ( -0.815 0.000 -1.846) 2.018 3.433 ( 1.886 0.000 3.524) 3.997 3.545 ( 7.883 0.000 -4.162) 8.914 3.620 ( 0.952 0.000 -1.963) 2.181 3.676 ( 2.231 0.000 1.994) 2.992 3.724 ( -0.655 0.000 0.259) 0.704 3.843 ( 5.546 0.000 -4.750) 7.302 3.974 ( -1.620 0.000 13.135) 13.234 4.108 ( -8.391 0.000 13.604) 15.983 4.133 ( 0.320 0.000 1.115) 1.160 4.184 ( 11.534 0.000 5.803) 12.911 4.333 ( 5.263 0.000 3.177) 6.147 4.374 ( 7.508 0.000 -2.035) 7.778 4.448 ( 2.794 0.000 0.128) 2.797 4.531 ( 4.797 0.000 -1.006) 4.901 4.612 ( 0.657 0.000 2.382) 2.471 4.746 ( 1.327 0.000 3.048) 3.324 5.059 ( -0.642 0.000 0.377) 0.744 5.083 ( 9.649 0.000 -12.309) 15.640 5.299 ( -0.747 0.000 -13.347) 13.367 5.376 ( 1.692 0.000 -7.067) 7.267 6.455 ( -6.118 0.000 6.346) 8.815 6.653 ( -0.703 0.000 6.754) 6.790 6.805 ( -3.191 0.000 -3.695) 4.882 7.028 ( -0.280 0.000 -3.219) 3.232 7.083 ( 2.746 0.000 3.089) 4.134 7.391 ( 2.619 0.000 -5.276) 5.890 7.514 ( 0.585 0.000 1.535) 1.643 7.655 ( -1.845 0.000 -1.242) 2.224 7.798 ( 1.470 0.000 1.245) 1.926 7.871 ( -12.093 0.000 9.534) 15.399 7.884 ( -0.461 0.000 -0.151) 0.485 7.900 ( -5.103 0.000 2.891) 5.865 8.510 ( -0.280 0.000 9.346) 9.350 8.525 ( 8.003 0.000 5.330) 9.615 8.741 ( 2.380 0.000 0.864) 2.532 8.841 ( -2.723 0.000 -1.030) 2.912 9.246 ( 3.904 0.000 -2.681) 4.736 9.306 ( -3.066 0.000 -1.371) 3.359 9.374 ( -2.690 0.000 0.984) 2.865 9.518 ( 2.214 0.000 4.826) 5.309 9.884 ( 16.751 0.000 -30.350) 34.666 10.048 ( 0.784 0.000 -7.888) 7.927 10.466 ( -2.712 0.000 0.656) 2.791 10.503 ( 0.504 0.000 -1.451) 1.536 10.777 ( -6.836 0.000 6.192) 9.224 10.872 ( 1.807 0.000 3.088) 3.578 11.077 ( 3.017 0.000 -2.395) 3.852 11.175 ( -8.167 0.000 -4.897) 9.523 12.266 ( -16.993 0.000 15.972) 23.321 12.534 ( -7.030 0.000 -1.310) 7.151 12.956 ( -1.687 0.000 5.907) 6.144 13.167 ( -4.663 0.000 1.864) 5.022 13.210 ( -0.326 0.000 0.916) 0.972 13.632 ( -5.547 0.000 -9.602) 11.089 14.517 ( -11.696 0.000 5.336) 12.856 15.060 ( 8.932 0.000 4.380) 9.948 15.091 ( -10.045 0.000 -10.541) 14.561 15.284 ( -0.220 0.000 4.714) 4.719 15.810 ( -6.228 0.000 -0.204) 6.231 15.943 ( 2.761 0.000 -8.946) 9.363 16.128 ( 13.910 0.000 1.590) 14.000 16.246 ( 13.923 0.000 -1.971) 14.062 16.252 ( 4.880 0.000 9.607) 10.775 16.817 ( 0.460 0.000 -5.359) 5.379 24.203 ( 0.096 0.000 2.770) 2.771 24.414 ( -0.069 0.000 0.212) 0.223 24.437 ( -1.169 0.000 -3.522) 3.711 24.474 ( -0.832 0.000 0.103) 0.838 24.683 ( -7.768 0.000 13.315) 15.416 24.878 ( -0.158 0.000 6.577) 6.578 25.040 ( -1.778 0.000 -1.907) 2.608 25.330 ( -0.149 0.000 -5.482) 5.484 26.794 ( -6.833 0.000 2.011) 7.123 26.949 ( -5.512 0.000 -1.927) 5.840 27.058 ( -1.203 0.000 0.513) 1.308 27.136 ( -0.316 0.000 -1.349) 1.386 27.287 ( 10.673 0.000 4.823) 11.712 27.330 ( -2.795 0.000 10.173) 10.550 28.119 ( -9.664 0.000 -2.944) 10.102 28.404 ( 20.410 0.000 -26.466) 33.421 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.279 0.000 5.198) 6.146 1.180 ( 13.298 0.000 6.380) 14.750 1.352 ( 8.823 0.000 22.574) 24.237 1.372 ( -0.152 0.000 2.633) 2.638 1.734 ( 7.239 0.000 2.490) 7.656 1.881 ( -3.163 0.000 -0.459) 3.196 1.883 ( 8.603 0.000 -1.148) 8.680 2.034 ( 6.784 0.000 -2.195) 7.130 2.249 ( 19.088 0.000 9.868) 21.488 2.666 ( -9.985 0.000 1.098) 10.045 2.998 ( -5.434 0.000 -7.736) 9.454 3.047 ( -1.489 0.000 -12.391) 12.480 3.053 ( 3.865 0.000 3.826) 5.438 3.218 ( -6.029 0.000 5.140) 7.922 3.245 ( 3.659 0.000 0.165) 3.663 3.489 ( 6.540 0.000 3.775) 7.552 3.574 ( 3.475 0.000 -6.525) 7.393 3.661 ( 3.215 0.000 3.032) 4.419 3.711 ( 5.779 0.000 3.737) 6.882 3.772 ( 8.210 0.000 1.433) 8.334 3.824 ( 13.499 0.000 -10.035) 16.820 3.939 ( 2.940 0.000 8.049) 8.569 3.947 ( 3.825 0.000 -0.406) 3.847 4.050 ( -0.924 0.000 5.815) 5.888 4.241 ( 11.764 0.000 -3.035) 12.149 4.355 ( -1.664 0.000 1.814) 2.462 4.393 ( 5.729 0.000 1.137) 5.840 4.517 ( 3.139 0.000 -2.343) 3.917 4.628 ( 14.186 0.000 0.485) 14.194 4.630 ( 1.192 0.000 7.199) 7.297 4.723 ( 10.699 0.000 2.022) 10.889 4.783 ( 2.702 0.000 3.434) 4.369 5.065 ( 1.631 0.000 -2.128) 2.681 5.262 ( 9.352 0.000 -10.093) 13.760 5.414 ( 13.323 0.000 -9.504) 16.366 5.483 ( 10.996 0.000 -9.643) 14.625 6.368 ( -2.249 0.000 5.920) 6.333 6.631 ( -1.381 0.000 6.826) 6.965 6.746 ( -2.112 0.000 -4.106) 4.618 7.019 ( -0.587 0.000 -3.453) 3.502 7.125 ( 1.026 0.000 3.275) 3.432 7.440 ( 1.891 0.000 -5.132) 5.470 7.518 ( -0.338 0.000 1.140) 1.189 7.601 ( -3.305 0.000 -0.463) 3.337 7.722 ( -4.229 0.000 4.215) 5.970 7.779 ( -5.554 0.000 0.515) 5.578 7.838 ( 1.527 0.000 0.905) 1.775 7.885 ( -0.617 0.000 -0.163) 0.638 8.510 ( -0.169 0.000 6.925) 6.927 8.639 ( 2.224 0.000 7.670) 7.985 8.780 ( -2.869 0.000 -1.365) 3.177 8.814 ( 4.374 0.000 2.316) 4.949 9.220 ( -4.811 0.000 -1.171) 4.952 9.256 ( -6.006 0.000 -0.153) 6.008 9.372 ( 5.023 0.000 -1.805) 5.338 9.573 ( 2.896 0.000 4.872) 5.668 9.845 ( -14.011 0.000 -13.698) 19.595 10.089 ( 3.150 0.000 -7.284) 7.936 10.402 ( -3.431 0.000 2.254) 4.105 10.537 ( 1.665 0.000 -4.122) 4.446 10.595 ( -10.063 0.000 4.203) 10.905 10.898 ( -3.646 0.000 -0.921) 3.761 10.977 ( -5.953 0.000 -0.006) 5.953 11.133 ( 1.951 0.000 -2.020) 2.808 12.075 ( -3.753 0.000 9.020) 9.770 12.398 ( -5.628 0.000 -2.744) 6.262 12.892 ( -3.828 0.000 6.769) 7.776 12.950 ( -10.666 0.000 5.252) 11.889 13.295 ( 3.673 0.000 -3.507) 5.078 13.521 ( -5.933 0.000 -10.606) 12.153 14.282 ( -10.136 0.000 5.648) 11.604 14.886 ( -8.199 0.000 -11.154) 13.843 15.258 ( -1.977 0.000 7.892) 8.135 15.261 ( 9.616 0.000 6.371) 11.535 15.644 ( -9.083 0.000 -0.021) 9.083 16.008 ( 2.842 0.000 -6.560) 7.150 16.270 ( 0.905 0.000 7.640) 7.694 16.427 ( 13.750 0.000 1.775) 13.864 16.581 ( 14.422 0.000 -2.198) 14.589 16.823 ( 0.045 0.000 -5.323) 5.323 24.206 ( 0.175 0.000 2.431) 2.437 24.412 ( -0.108 0.000 0.729) 0.737 24.419 ( -0.406 0.000 -3.441) 3.465 24.464 ( -0.104 0.000 3.423) 3.425 24.612 ( -1.282 0.000 4.918) 5.083 24.874 ( -0.189 0.000 6.244) 6.247 25.009 ( -0.976 0.000 -3.131) 3.279 25.307 ( -2.322 0.000 -5.375) 5.855 26.678 ( -4.484 0.000 1.901) 4.871 26.892 ( -1.501 0.000 -5.478) 5.680 27.021 ( -2.427 0.000 0.362) 2.454 27.117 ( -1.239 0.000 -1.411) 1.878 27.261 ( -3.183 0.000 10.858) 11.315 27.502 ( 9.344 0.000 5.663) 10.926 27.889 ( -11.440 0.000 -0.396) 11.446 28.669 ( 8.419 0.000 -19.728) 21.449 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.050 0.000 4.819) 5.237 1.141 ( -4.839 0.000 -0.320) 4.849 1.597 ( 10.223 0.000 12.559) 16.193 1.648 ( 13.130 0.000 5.535) 14.249 1.875 ( 3.030 0.000 2.567) 3.971 1.915 ( 10.591 0.000 2.931) 10.990 1.998 ( 4.670 0.000 -0.559) 4.703 2.183 ( 8.360 0.000 -2.244) 8.656 2.444 ( 0.898 0.000 2.124) 2.306 2.492 ( -5.805 0.000 3.108) 6.584 2.751 ( -13.231 0.000 8.747) 15.861 2.855 ( -14.857 0.000 -4.568) 15.544 3.121 ( -0.097 0.000 -3.505) 3.506 3.250 ( 5.647 0.000 3.778) 6.795 3.330 ( 3.609 0.000 -3.576) 5.080 3.555 ( 2.152 0.000 -2.352) 3.188 3.627 ( 2.807 0.000 -7.785) 8.276 3.666 ( -1.958 0.000 3.054) 3.627 3.756 ( 0.034 0.000 5.045) 5.045 3.878 ( 2.767 0.000 3.451) 4.423 4.004 ( 2.155 0.000 -0.444) 2.201 4.009 ( -2.563 0.000 2.607) 3.656 4.045 ( 6.246 0.000 -7.923) 10.089 4.212 ( 16.029 0.000 1.569) 16.105 4.299 ( -3.401 0.000 -2.310) 4.111 4.421 ( 0.701 0.000 -2.824) 2.910 4.491 ( 5.977 0.000 0.569) 6.004 4.647 ( 0.438 0.000 12.602) 12.610 4.728 ( 17.714 0.000 -6.547) 18.885 4.809 ( 3.720 0.000 5.581) 6.707 4.815 ( -1.682 0.000 3.291) 3.696 4.960 ( 14.531 0.000 4.525) 15.220 5.088 ( 0.114 0.000 -2.022) 2.025 5.499 ( 14.074 0.000 -9.177) 16.802 5.749 ( 15.005 0.000 -10.194) 18.140 5.763 ( 11.326 0.000 -10.857) 15.689 6.359 ( 0.805 0.000 5.981) 6.035 6.604 ( -1.115 0.000 6.842) 6.932 6.725 ( -0.152 0.000 -3.625) 3.629 7.007 ( -0.563 0.000 -3.719) 3.762 7.127 ( -0.492 0.000 3.555) 3.589 7.464 ( 0.670 0.000 -5.270) 5.312 7.515 ( 0.949 0.000 0.282) 0.990 7.554 ( 0.085 0.000 -0.490) 0.498 7.663 ( -1.676 0.000 2.412) 2.937 7.687 ( -3.338 0.000 0.184) 3.343 7.840 ( -4.293 0.000 2.084) 4.772 7.843 ( -1.577 0.000 1.630) 2.268 8.500 ( -0.754 0.000 3.731) 3.806 8.622 ( -2.787 0.000 4.765) 5.520 8.739 ( -1.067 0.000 0.577) 1.213 8.901 ( 3.854 0.000 5.058) 6.359 9.091 ( -8.348 0.000 1.403) 8.465 9.135 ( -3.010 0.000 -1.115) 3.210 9.472 ( -17.349 0.000 -8.648) 19.385 9.492 ( 5.630 0.000 -5.677) 7.996 9.642 ( 1.412 0.000 5.774) 5.944 10.154 ( 2.619 0.000 -7.097) 7.565 10.303 ( -6.443 0.000 5.473) 8.454 10.449 ( -3.053 0.000 1.080) 3.239 10.556 ( 0.415 0.000 -3.142) 3.170 10.703 ( -8.893 0.000 -4.412) 9.928 10.999 ( 2.374 0.000 3.624) 4.333 11.151 ( 0.059 0.000 -0.747) 0.750 12.047 ( -0.027 0.000 4.332) 4.332 12.318 ( -2.357 0.000 -3.473) 4.197 12.784 ( -5.380 0.000 6.369) 8.337 12.824 ( -2.537 0.000 7.189) 7.624 13.339 ( 0.856 0.000 -5.453) 5.520 13.403 ( -5.018 0.000 -9.473) 10.720 14.129 ( -4.891 0.000 5.972) 7.720 14.775 ( -3.121 0.000 -12.083) 12.479 15.221 ( -1.401 0.000 5.322) 5.503 15.408 ( 3.313 0.000 4.024) 5.212 15.489 ( -4.178 0.000 3.861) 5.689 16.043 ( 0.732 0.000 0.417) 0.842 16.293 ( 1.241 0.000 3.174) 3.408 16.647 ( 7.579 0.000 1.941) 7.823 16.808 ( 7.672 0.000 -2.078) 7.948 16.819 ( -0.278 0.000 -5.465) 5.472 24.210 ( 0.154 0.000 1.976) 1.982 24.410 ( -0.109 0.000 1.448) 1.452 24.420 ( 0.336 0.000 -4.146) 4.159 24.466 ( 0.169 0.000 4.735) 4.738 24.596 ( -0.568 0.000 1.325) 1.442 24.871 ( -0.127 0.000 5.892) 5.893 25.008 ( 0.888 0.000 -4.611) 4.696 25.241 ( -3.682 0.000 -4.592) 5.886 26.612 ( -2.147 0.000 2.231) 3.096 26.867 ( -1.064 0.000 -6.631) 6.716 26.973 ( -1.890 0.000 1.255) 2.269 27.093 ( -0.992 0.000 -1.633) 1.911 27.216 ( -1.342 0.000 9.369) 9.465 27.609 ( -0.894 0.000 -1.802) 2.011 27.739 ( -0.841 0.000 9.805) 9.841 28.790 ( 3.867 0.000 -16.161) 16.617 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 5.126) 5.126 1.091 ( 0.000 0.000 0.282) 0.282 1.699 ( 0.000 0.000 8.894) 8.894 1.762 ( 0.000 0.000 3.722) 3.722 1.935 ( 0.000 0.000 2.912) 2.912 2.009 ( 0.000 0.000 -2.743) 2.743 2.157 ( -0.000 0.000 5.127) 5.127 2.323 ( -0.000 0.000 -1.137) 1.137 2.355 ( 0.000 0.000 -1.382) 1.382 2.525 ( -0.000 0.000 -3.920) 3.920 2.547 ( 0.000 0.000 5.009) 5.009 2.610 ( 0.000 0.000 15.697) 15.697 3.119 ( 0.000 0.000 -3.754) 3.754 3.308 ( 0.000 0.000 1.268) 1.268 3.369 ( 0.000 0.000 -2.533) 2.533 3.602 ( -0.000 0.000 -1.651) 1.651 3.615 ( 0.000 0.000 -2.450) 2.450 3.669 ( 0.000 0.000 -11.982) 11.982 3.741 ( 0.000 0.000 7.274) 7.274 3.938 ( 0.000 0.000 4.686) 4.686 3.951 ( -0.000 0.000 0.239) 0.239 4.025 ( 0.000 0.000 0.083) 0.083 4.112 ( 0.000 0.000 -5.769) 5.769 4.251 ( 0.000 0.000 -5.650) 5.650 4.369 ( 0.000 0.000 1.126) 1.126 4.418 ( 0.000 0.000 -1.261) 1.261 4.623 ( 0.000 0.000 9.502) 9.502 4.695 ( 0.000 0.000 1.344) 1.344 4.700 ( -0.000 0.000 8.806) 8.806 4.824 ( 0.000 0.000 5.680) 5.680 4.954 ( 0.000 0.000 -5.436) 5.436 5.060 ( -0.000 0.000 -4.728) 4.728 5.179 ( 0.000 0.000 7.133) 7.133 5.729 ( 0.000 0.000 -8.167) 8.167 5.822 ( 0.000 0.000 -11.474) 11.474 5.901 ( 0.000 0.000 -12.049) 12.049 6.372 ( 0.000 0.000 6.153) 6.153 6.591 ( 0.000 0.000 6.824) 6.824 6.726 ( 0.000 0.000 -3.086) 3.086 7.000 ( 0.000 0.000 -3.898) 3.898 7.119 ( 0.000 0.000 3.795) 3.795 7.471 ( 0.000 0.000 -5.468) 5.468 7.562 ( 0.000 0.000 -2.433) 2.433 7.589 ( 0.000 0.000 -1.842) 1.842 7.647 ( -0.000 0.000 1.102) 1.102 7.655 ( 0.000 0.000 0.421) 0.421 7.755 ( 0.000 0.000 5.999) 5.999 7.795 ( 0.000 0.000 4.893) 4.893 8.489 ( 0.000 0.000 2.009) 2.009 8.582 ( 0.000 0.000 2.062) 2.062 8.731 ( 0.000 0.000 1.726) 1.726 8.951 ( 0.000 0.000 7.929) 7.929 8.994 ( 0.000 0.000 1.365) 1.365 9.112 ( 0.000 0.000 -1.151) 1.151 9.248 ( 0.000 0.000 -8.918) 8.918 9.557 ( 0.000 0.000 -6.925) 6.925 9.662 ( 0.000 0.000 5.955) 5.955 10.176 ( 0.000 0.000 -6.410) 6.410 10.227 ( 0.000 0.000 4.926) 4.926 10.427 ( 0.000 0.000 1.099) 1.099 10.562 ( 0.000 0.000 -2.823) 2.823 10.605 ( 0.000 0.000 -4.172) 4.172 11.026 ( 0.000 0.000 3.263) 3.263 11.149 ( 0.000 0.000 0.004) 0.004 12.050 ( 0.000 0.000 3.133) 3.133 12.295 ( 0.000 0.000 -3.624) 3.624 12.731 ( 0.000 0.000 7.018) 7.018 12.798 ( 0.000 0.000 7.879) 7.879 13.345 ( 0.000 0.000 -6.550) 6.550 13.347 ( 0.000 0.000 -9.434) 9.434 14.081 ( 0.000 0.000 6.141) 6.141 14.745 ( 0.000 0.000 -12.479) 12.479 15.207 ( 0.000 0.000 4.145) 4.145 15.393 ( 0.000 0.000 -1.242) 1.242 15.493 ( 0.000 0.000 9.749) 9.749 16.048 ( 0.000 0.000 3.151) 3.151 16.308 ( 0.000 0.000 1.406) 1.406 16.725 ( 0.000 0.000 2.022) 2.022 16.816 ( 0.000 0.000 -5.583) 5.583 16.886 ( 0.000 0.000 -2.073) 2.073 24.211 ( 0.000 0.000 1.745) 1.745 24.408 ( 0.000 0.000 1.798) 1.798 24.425 ( 0.000 0.000 -4.581) 4.581 24.468 ( 0.000 0.000 5.118) 5.118 24.589 ( 0.000 0.000 0.504) 0.504 24.869 ( 0.000 0.000 5.737) 5.737 25.026 ( 0.000 0.000 -5.907) 5.907 25.193 ( 0.000 0.000 -3.427) 3.427 26.590 ( 0.000 0.000 2.375) 2.375 26.854 ( 0.000 0.000 -6.650) 6.650 26.953 ( 0.000 0.000 1.516) 1.516 27.082 ( 0.000 0.000 -1.749) 1.749 27.203 ( 0.000 0.000 8.582) 8.582 27.572 ( 0.000 0.000 -3.037) 3.037 27.758 ( 0.000 0.000 12.047) 12.047 28.830 ( 0.000 0.000 -15.256) 15.256 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 21.351 18.881) 28.502 0.897 ( 0.000 20.430 23.242) 30.945 1.297 ( 0.000 24.916 16.660) 29.972 1.569 ( 0.000 20.444 10.418) 22.946 1.622 ( 0.000 0.721 4.460) 4.518 1.823 ( 0.000 2.309 -4.985) 5.494 1.964 ( 0.000 12.096 3.901) 12.709 2.046 ( 0.000 15.755 -12.264) 19.966 2.112 ( 0.000 3.846 -16.161) 16.613 2.731 ( 0.000 1.817 4.678) 5.018 2.838 ( 0.000 -2.889 -3.235) 4.337 2.964 ( 0.000 -4.230 0.897) 4.324 3.032 ( 0.000 -1.325 -4.671) 4.855 3.068 ( 0.000 -3.403 -7.298) 8.053 3.206 ( 0.000 -3.815 7.051) 8.017 3.304 ( 0.000 -3.260 -8.373) 8.986 3.382 ( 0.000 -2.374 2.755) 3.637 3.408 ( 0.000 -6.009 8.771) 10.632 3.544 ( 0.000 -6.833 -4.342) 8.096 3.687 ( 0.000 0.532 1.354) 1.455 3.792 ( 0.000 3.331 0.657) 3.395 3.809 ( 0.000 3.332 -10.730) 11.236 3.912 ( 0.000 -8.519 10.437) 13.472 3.955 ( 0.000 1.541 4.724) 4.969 4.137 ( 0.000 -6.521 16.586) 17.822 4.146 ( 0.000 -1.536 -2.239) 2.716 4.207 ( 0.000 -4.861 -1.487) 5.083 4.251 ( 0.000 -1.561 6.667) 6.847 4.524 ( 0.000 2.430 1.213) 2.716 4.601 ( 0.000 1.699 -5.527) 5.782 4.648 ( 0.000 2.061 -0.468) 2.114 4.686 ( 0.000 -1.695 2.111) 2.707 4.791 ( 0.000 -0.239 1.049) 1.076 5.084 ( 0.000 1.351 3.608) 3.853 5.288 ( 0.000 -6.623 -3.231) 7.369 5.295 ( 0.000 -3.161 -15.061) 15.389 6.584 ( 0.000 6.125 8.451) 10.437 6.689 ( 0.000 2.959 5.583) 6.319 7.024 ( 0.000 -0.048 -2.425) 2.426 7.066 ( 0.000 1.662 2.263) 2.807 7.244 ( 0.000 14.357 -17.022) 22.268 7.408 ( 0.000 4.562 -5.990) 7.529 7.512 ( 0.000 0.137 1.040) 1.049 7.678 ( 0.000 0.545 -2.032) 2.104 7.791 ( 0.000 1.278 1.421) 1.911 7.873 ( 0.000 -1.141 -0.186) 1.156 7.905 ( 0.000 -5.087 8.469) 9.879 8.252 ( 0.000 2.045 -6.231) 6.559 8.389 ( 0.000 -1.911 1.692) 2.552 8.559 ( 0.000 -2.059 -3.331) 3.916 8.771 ( 0.000 -15.999 12.512) 20.311 8.837 ( 0.000 7.725 3.090) 8.320 8.942 ( 0.000 6.464 -0.793) 6.512 9.209 ( 0.000 -13.796 -1.532) 13.880 9.354 ( 0.000 -3.834 -0.222) 3.840 9.434 ( 0.000 6.016 -9.680) 11.397 9.502 ( 0.000 0.264 5.508) 5.514 10.062 ( 0.000 1.750 -8.614) 8.790 10.498 ( 0.000 -3.828 2.801) 4.744 10.540 ( 0.000 2.256 0.063) 2.257 10.764 ( 0.000 -5.973 2.916) 6.647 10.826 ( 0.000 -2.150 6.829) 7.159 10.978 ( 0.000 -6.380 -2.602) 6.891 11.215 ( 0.000 -4.218 -3.683) 5.599 12.221 ( 0.000 -5.961 16.831) 17.855 12.912 ( 0.000 -2.523 2.634) 3.647 12.961 ( 0.000 5.269 -17.504) 18.280 13.120 ( 0.000 0.045 -2.588) 2.588 13.470 ( 0.000 11.499 6.467) 13.193 13.902 ( 0.000 14.666 -6.417) 16.009 14.604 ( 0.000 -5.474 5.252) 7.586 14.955 ( 0.000 -0.529 1.807) 1.883 15.141 ( 0.000 1.102 -4.849) 4.973 15.306 ( 0.000 -1.213 -8.498) 8.584 15.436 ( 0.000 -18.893 17.676) 25.873 15.838 ( 0.000 -6.517 -3.841) 7.564 15.984 ( 0.000 1.072 3.240) 3.413 16.155 ( 0.000 7.554 -2.166) 7.859 16.209 ( 0.000 -1.024 11.451) 11.496 16.794 ( 0.000 -1.657 -5.507) 5.751 24.203 ( 0.000 0.214 2.691) 2.700 24.401 ( 0.000 -1.197 0.355) 1.249 24.434 ( 0.000 -1.456 -3.524) 3.813 24.446 ( 0.000 -1.472 -0.527) 1.564 24.698 ( 0.000 -0.933 15.731) 15.759 24.879 ( 0.000 0.324 6.615) 6.623 25.365 ( 0.000 3.549 -6.099) 7.056 25.575 ( 0.000 17.700 -25.788) 31.278 26.891 ( 0.000 -1.703 3.466) 3.862 26.959 ( 0.000 -5.846 1.370) 6.005 27.067 ( 0.000 -4.104 -1.708) 4.446 27.160 ( 0.000 -3.231 -3.246) 4.580 27.247 ( 0.000 6.273 2.798) 6.869 27.421 ( 0.000 9.351 -1.846) 9.532 27.488 ( 0.000 -14.832 25.719) 29.690 28.315 ( 0.000 -3.052 -11.131) 11.542 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 12.406 12.809 15.333) 23.518 1.052 ( 14.185 20.407 14.620) 28.834 1.439 ( 2.139 13.354 3.805) 14.049 1.615 ( 10.694 13.980 7.161) 19.003 1.660 ( 1.923 3.051 2.691) 4.500 1.836 ( -3.690 20.869 11.900) 24.305 1.887 ( 3.149 0.148 -2.315) 3.911 2.022 ( -1.220 7.493 -5.161) 9.180 2.171 ( 6.917 15.666 -5.544) 18.000 2.777 ( 0.921 -0.243 -2.043) 2.254 2.833 ( 3.404 -3.972 -6.182) 8.098 2.958 ( 0.150 -4.288 2.088) 4.771 3.078 ( 0.256 -2.595 -5.138) 5.762 3.165 ( 7.652 -1.216 -1.347) 7.864 3.266 ( 7.803 -2.325 1.163) 8.224 3.320 ( -1.429 -4.724 0.794) 4.998 3.433 ( 6.693 -1.276 0.649) 6.844 3.499 ( 5.674 -4.055 2.347) 7.358 3.554 ( 3.562 -4.792 -3.678) 7.013 3.683 ( 0.341 -0.115 1.236) 1.287 3.739 ( -2.366 1.145 0.859) 2.766 3.852 ( 2.318 1.541 -2.392) 3.670 3.949 ( 2.302 -2.216 10.254) 10.740 4.079 ( 7.731 -2.450 -0.267) 8.115 4.085 ( -1.093 -0.611 8.285) 8.379 4.212 ( 7.580 2.421 1.885) 8.178 4.256 ( 6.637 -7.912 -0.480) 10.339 4.345 ( 6.602 0.018 3.565) 7.503 4.484 ( -2.463 3.185 -0.299) 4.037 4.563 ( 2.871 2.837 0.125) 4.038 4.687 ( 2.885 4.325 -0.294) 5.207 4.719 ( 3.174 -2.507 3.058) 5.071 4.942 ( 6.682 -5.821 -3.002) 9.357 5.105 ( 2.474 -0.252 -3.374) 4.192 5.285 ( 1.048 -1.405 -11.497) 11.629 5.310 ( 2.427 -5.767 -4.160) 7.513 6.507 ( -5.709 5.314 7.483) 10.809 6.686 ( -0.605 3.231 5.529) 6.433 7.028 ( -0.200 0.164 -3.536) 3.546 7.057 ( -12.762 14.259 -9.993) 21.588 7.101 ( 2.824 1.788 3.405) 4.771 7.452 ( 2.577 4.348 -5.655) 7.585 7.520 ( 0.709 1.061 1.052) 1.654 7.671 ( -0.864 1.326 -1.741) 2.353 7.792 ( -0.080 -0.286 1.192) 1.229 7.829 ( -6.251 -2.738 6.993) 9.771 7.867 ( -0.517 -1.664 -0.169) 1.751 7.934 ( -11.334 2.814 2.026) 11.853 8.410 ( 0.980 -4.515 5.815) 7.427 8.604 ( 7.915 1.500 5.729) 9.885 8.797 ( -0.429 5.271 -0.005) 5.289 8.871 ( -1.161 2.417 0.672) 2.765 9.085 ( 3.669 -10.011 -1.542) 10.774 9.304 ( -3.328 -5.082 -0.005) 6.074 9.335 ( 2.366 -4.710 -0.412) 5.287 9.542 ( 3.787 0.727 3.089) 4.941 9.587 ( 9.506 -12.530 -14.733) 21.551 10.100 ( 4.174 1.560 -9.844) 10.806 10.473 ( -2.599 -2.007 2.603) 4.190 10.543 ( 0.089 2.615 -1.214) 2.884 10.756 ( -6.457 -2.083 6.286) 9.249 10.772 ( 0.793 -7.860 3.073) 8.477 11.005 ( 2.376 -7.895 -3.020) 8.781 11.134 ( -7.796 -3.811 -4.137) 9.614 12.169 ( -4.103 -1.355 13.723) 14.387 12.682 ( -16.225 7.789 -6.843) 19.255 12.927 ( -2.487 -2.784 4.712) 6.011 13.169 ( 3.417 -1.590 -2.698) 4.635 13.314 ( -11.576 11.125 6.345) 17.264 13.816 ( -5.524 14.920 -10.041) 18.813 14.465 ( -11.453 -5.115 5.582) 13.729 15.012 ( -2.383 -4.196 -5.780) 7.529 15.111 ( 0.702 1.230 -0.135) 1.423 15.272 ( 0.013 -1.386 7.093) 7.227 15.673 ( 12.821 -9.517 -0.997) 15.998 15.899 ( 1.660 -3.030 -6.634) 7.480 16.111 ( 11.309 -1.264 2.627) 11.679 16.219 ( 2.055 -1.131 8.951) 9.254 16.266 ( 11.670 2.200 0.219) 11.877 16.800 ( 0.422 -1.763 -5.502) 5.794 24.204 ( 0.071 0.189 2.623) 2.631 24.399 ( -0.110 -1.266 0.382) 1.327 24.422 ( -0.678 -1.145 -2.744) 3.050 24.460 ( 0.935 -0.559 -0.992) 1.474 24.667 ( -2.373 1.180 13.119) 13.384 24.878 ( -0.125 0.190 6.565) 6.569 25.293 ( -10.323 11.673 -7.539) 17.310 25.397 ( -4.522 9.006 -8.459) 13.157 26.783 ( -6.172 -0.975 2.277) 6.650 26.937 ( -3.748 -2.097 -0.597) 4.336 27.013 ( -0.163 -2.314 -1.327) 2.673 27.141 ( -1.296 -0.512 -1.995) 2.434 27.321 ( 0.221 1.102 8.702) 8.774 27.360 ( 5.490 4.024 7.596) 10.200 27.890 ( 10.827 -13.876 -2.219) 17.740 28.333 ( 6.001 -6.232 -14.475) 16.863 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 6.399 10.017 2.193) 12.087 1.340 ( -2.879 11.747 -0.393) 12.101 1.379 ( 11.670 9.357 9.019) 17.466 1.623 ( 1.729 14.182 12.371) 18.899 1.790 ( 8.134 6.683 5.445) 11.852 1.900 ( -0.988 1.677 -1.750) 2.617 1.971 ( 6.822 8.704 2.523) 11.343 2.050 ( 4.317 4.351 -1.505) 6.311 2.388 ( 6.776 7.277 0.467) 9.954 2.689 ( -5.079 3.789 2.934) 6.983 2.904 ( -0.773 -5.667 -11.407) 12.761 2.987 ( 3.889 -3.379 5.963) 7.881 3.108 ( -2.649 2.786 -9.055) 9.837 3.190 ( -5.200 -2.602 6.892) 9.018 3.291 ( 4.155 1.346 1.337) 4.567 3.459 ( 6.036 -1.711 3.459) 7.164 3.564 ( 6.264 -2.368 -3.003) 7.339 3.653 ( 7.477 -2.685 0.065) 7.945 3.702 ( 2.189 0.574 3.173) 3.898 3.715 ( 3.713 -2.409 0.643) 4.472 3.765 ( 12.559 -5.239 -0.126) 13.609 3.930 ( 5.942 2.745 -4.125) 7.737 4.002 ( 2.866 1.145 3.731) 4.842 4.074 ( -0.407 1.162 1.147) 1.683 4.216 ( 9.029 -1.902 -1.878) 9.416 4.389 ( 1.690 3.232 1.909) 4.116 4.421 ( 4.950 2.324 -0.577) 5.499 4.473 ( 12.813 -3.232 5.889) 14.467 4.562 ( 7.987 -1.838 -3.509) 8.915 4.662 ( 4.710 -0.247 1.673) 5.005 4.725 ( 3.380 2.550 6.314) 7.603 4.830 ( 6.372 0.882 2.930) 7.068 5.027 ( 3.572 -3.303 -2.708) 5.568 5.234 ( 9.613 -2.438 -7.632) 12.514 5.406 ( 12.401 -0.902 -8.141) 14.861 5.447 ( 12.752 -3.148 -7.065) 14.915 6.411 ( -3.068 4.180 6.045) 7.964 6.663 ( -1.508 2.962 5.579) 6.494 6.854 ( -6.689 8.280 -5.646) 12.049 7.019 ( -0.727 -0.009 -3.640) 3.712 7.145 ( 1.067 2.199 3.434) 4.216 7.490 ( 0.955 3.935 -5.394) 6.745 7.530 ( 0.078 1.009 1.186) 1.559 7.636 ( -2.590 2.943 -1.167) 4.090 7.712 ( -4.318 -0.331 3.050) 5.297 7.757 ( -4.622 -1.641 0.995) 5.005 7.832 ( -0.144 -0.554 0.669) 0.881 7.856 ( -0.883 -2.686 0.047) 2.828 8.430 ( 0.319 -5.379 7.054) 8.877 8.737 ( 3.149 5.748 6.851) 9.481 8.779 ( -0.801 -0.168 -2.214) 2.361 8.844 ( -1.172 2.813 1.382) 3.346 9.096 ( -2.035 -10.398 -1.027) 10.645 9.208 ( -5.150 -2.287 1.003) 5.724 9.381 ( 2.394 -2.835 -3.082) 4.824 9.580 ( -5.386 -9.584 -8.717) 14.030 9.632 ( 2.317 -0.238 4.824) 5.357 10.178 ( 2.604 2.557 -8.638) 9.377 10.403 ( -3.919 -0.533 2.785) 4.837 10.537 ( -1.586 -0.021 -1.949) 2.513 10.585 ( -8.291 -0.697 3.057) 8.864 10.798 ( 0.716 -10.108 2.378) 10.409 10.929 ( -10.702 -3.413 -2.724) 11.558 11.053 ( 1.844 -9.310 -3.047) 9.968 12.096 ( -2.619 2.991 7.751) 8.712 12.420 ( -9.188 4.046 -3.008) 10.481 12.861 ( -3.695 -3.100 6.132) 7.802 13.085 ( -9.945 11.819 5.586) 16.425 13.232 ( 2.407 -4.467 -3.455) 6.139 13.698 ( -6.212 13.799 -10.948) 18.678 14.236 ( -9.858 -4.561 5.769) 12.299 14.840 ( -8.010 -4.501 -11.251) 14.527 15.247 ( 0.638 -0.356 8.621) 8.652 15.284 ( 7.164 1.538 6.955) 10.102 15.692 ( -6.615 4.499 -1.506) 8.141 15.993 ( 5.609 -1.285 -7.494) 9.448 16.233 ( 2.079 -2.767 8.904) 9.553 16.395 ( 12.756 -2.931 2.087) 13.253 16.559 ( 14.049 -1.690 -2.038) 14.296 16.805 ( -0.021 -1.923 -5.534) 5.859 24.206 ( 0.140 0.126 2.383) 2.391 24.397 ( -0.131 -1.397 0.859) 1.646 24.413 ( -0.064 -0.441 -3.305) 3.335 24.479 ( 0.860 0.800 0.235) 1.198 24.625 ( -1.645 1.853 7.973) 8.349 24.874 ( -0.216 0.002 6.331) 6.334 25.124 ( -5.067 9.323 -4.584) 11.559 25.339 ( -3.220 3.089 -6.083) 7.544 26.677 ( -4.215 -0.116 2.111) 4.715 26.889 ( -1.435 -0.916 -3.709) 4.081 26.984 ( -2.514 -2.842 -0.875) 3.894 27.108 ( -1.757 -1.126 -1.809) 2.762 27.278 ( -2.034 2.023 10.575) 10.958 27.534 ( 8.330 2.662 5.336) 10.244 27.851 ( -7.604 -2.905 -0.788) 8.178 28.535 ( 9.582 -11.289 -15.602) 21.510 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.862 7.946 -1.703) 9.470 1.271 ( -0.673 12.683 -0.790) 12.725 1.636 ( 8.429 4.257 8.599) 12.772 1.787 ( 10.044 10.552 6.582) 15.986 1.893 ( 1.691 2.817 1.445) 3.589 1.992 ( 10.901 5.724 5.829) 13.623 2.076 ( 3.658 7.662 -1.464) 8.616 2.141 ( 4.987 -1.309 1.485) 5.365 2.376 ( -3.343 -2.467 0.102) 4.156 2.595 ( -5.815 4.014 0.193) 7.069 2.798 ( -9.636 3.090 7.201) 12.420 2.886 ( -8.707 1.359 -1.523) 8.943 3.072 ( -0.422 -2.221 1.689) 2.822 3.226 ( 4.865 -0.250 -3.952) 6.273 3.342 ( 1.032 1.316 0.885) 1.892 3.519 ( 2.292 -4.240 -3.479) 5.944 3.647 ( -2.848 -1.881 1.714) 3.819 3.705 ( 3.580 2.702 1.855) 4.853 3.742 ( 4.088 -3.132 -2.398) 5.681 3.810 ( 3.102 -0.943 -3.105) 4.489 3.962 ( -1.148 -2.925 -2.721) 4.156 4.004 ( -0.240 -0.027 3.778) 3.786 4.100 ( 1.642 3.097 -4.984) 6.093 4.129 ( 13.623 -2.709 4.096) 14.481 4.394 ( 2.918 -1.641 -2.479) 4.166 4.410 ( 2.745 5.292 -0.346) 5.972 4.505 ( 4.288 1.046 0.754) 4.477 4.599 ( 0.481 -2.533 7.188) 7.636 4.765 ( 7.500 0.168 -1.651) 7.682 4.778 ( 7.435 1.033 2.432) 7.891 4.837 ( 3.284 0.442 3.317) 4.689 4.986 ( 14.425 1.951 7.317) 16.292 5.087 ( 1.730 -0.394 -2.360) 2.953 5.489 ( 15.362 -0.820 -7.902) 17.295 5.723 ( 13.881 -1.824 -8.291) 16.272 5.763 ( 13.826 -0.727 -8.007) 15.994 6.385 ( 0.144 2.981 5.035) 5.853 6.632 ( -1.392 2.421 5.594) 6.253 6.773 ( -1.918 4.053 -4.254) 6.181 7.004 ( -0.554 -0.337 -3.914) 3.968 7.143 ( -0.895 2.122 3.539) 4.223 7.489 ( -0.402 2.468 -5.067) 5.651 7.532 ( 0.603 0.876 0.324) 1.111 7.589 ( -1.191 2.507 -1.343) 3.084 7.652 ( -1.387 -0.592 1.649) 2.235 7.679 ( -2.280 -0.503 1.294) 2.670 7.815 ( -3.712 -2.385 1.460) 4.648 7.826 ( -1.543 -1.705 1.059) 2.532 8.405 ( -2.660 -6.461 6.019) 9.222 8.716 ( -2.683 5.564 -0.807) 6.230 8.775 ( -0.766 3.514 2.229) 4.231 8.819 ( -1.949 -7.271 3.997) 8.523 9.036 ( -2.594 -8.090 -2.486) 8.852 9.130 ( -1.970 3.130 2.687) 4.572 9.289 ( -11.382 -11.818 -5.741) 17.384 9.530 ( 3.147 2.821 -5.021) 6.563 9.683 ( 1.745 2.578 6.361) 7.082 10.223 ( 2.060 3.642 -7.234) 8.357 10.300 ( -6.329 -0.054 5.096) 8.126 10.429 ( -3.275 -1.976 0.880) 3.925 10.544 ( -0.279 -1.049 -3.600) 3.760 10.681 ( -8.307 -2.168 -4.338) 9.619 10.864 ( 1.328 -12.363 4.480) 13.217 11.070 ( -0.003 -9.452 -1.684) 9.600 12.064 ( -0.744 2.915 3.887) 4.915 12.294 ( -3.629 0.702 -2.611) 4.526 12.793 ( -2.578 -3.044 6.650) 7.755 12.936 ( -4.626 13.093 6.346) 15.267 13.264 ( 0.921 -6.036 -5.093) 7.951 13.574 ( -5.407 13.542 -9.879) 17.613 14.088 ( -4.691 -4.087 5.983) 8.632 14.730 ( -3.083 -4.379 -12.160) 13.287 15.224 ( -1.178 0.417 6.054) 6.181 15.429 ( 5.117 1.224 7.769) 9.383 15.553 ( -5.703 6.613 -0.131) 8.734 16.060 ( 1.395 1.660 0.067) 2.169 16.282 ( 2.370 -0.890 2.801) 3.775 16.605 ( 7.343 -3.987 2.191) 8.638 16.781 ( 6.631 -2.319 -2.559) 7.476 16.803 ( 0.724 -1.979 -5.287) 5.692 24.209 ( 0.128 0.058 2.014) 2.018 24.394 ( -0.129 -1.487 1.521) 2.131 24.418 ( 0.368 -0.151 -4.080) 4.100 24.493 ( 0.509 1.777 1.765) 2.556 24.600 ( -0.833 1.168 4.335) 4.567 24.870 ( -0.169 -0.151 6.023) 6.028 25.074 ( -0.398 5.737 -4.939) 7.580 25.260 ( -4.173 1.765 -4.980) 6.733 26.613 ( -2.062 0.195 2.374) 3.151 26.867 ( -0.835 -0.361 -5.364) 5.441 26.931 ( -2.130 -3.546 0.906) 4.235 27.075 ( -1.330 -1.782 -1.937) 2.948 27.250 ( -0.786 3.594 8.785) 9.524 27.635 ( -0.250 2.647 -1.640) 3.124 27.743 ( -0.368 0.365 8.366) 8.382 28.676 ( 4.452 -10.486 -14.093) 18.122 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 6.868 -0.942) 6.932 1.261 ( -0.000 15.001 -0.028) 15.001 1.719 ( 0.000 1.970 6.689) 6.973 1.872 ( -0.000 9.676 3.111) 10.164 1.937 ( 0.000 0.621 1.829) 1.932 2.109 ( -0.000 8.794 -2.196) 9.064 2.172 ( -0.000 -10.932 -1.135) 10.991 2.219 ( -0.000 7.163 7.219) 10.170 2.336 ( 0.000 -1.081 -0.797) 1.344 2.545 ( -0.000 4.024 9.496) 10.313 2.578 ( 0.000 3.624 1.618) 3.969 2.810 ( 0.000 8.580 5.924) 10.427 3.069 ( 0.000 -3.586 -1.133) 3.760 3.282 ( -0.000 -1.075 -3.869) 4.015 3.347 ( 0.000 1.144 0.205) 1.163 3.573 ( 0.000 -6.027 -5.571) 8.207 3.583 ( 0.000 -1.502 -0.909) 1.756 3.729 ( 0.000 -1.563 4.596) 4.854 3.814 ( 0.000 9.773 -11.534) 15.118 3.835 ( 0.000 -7.263 -0.402) 7.274 3.936 ( 0.000 -1.278 -0.879) 1.551 3.992 ( 0.000 -2.921 5.971) 6.648 4.114 ( 0.000 0.501 -6.306) 6.326 4.256 ( -0.000 2.275 3.744) 4.381 4.403 ( 0.000 0.932 -3.693) 3.809 4.464 ( 0.000 4.101 -0.533) 4.135 4.564 ( 0.000 -4.906 7.965) 9.355 4.657 ( -0.000 -3.050 6.879) 7.525 4.709 ( 0.000 1.190 1.195) 1.686 4.841 ( 0.000 0.864 6.116) 6.177 4.949 ( 0.000 -0.594 -4.797) 4.834 5.096 ( -0.000 1.799 -3.015) 3.511 5.206 ( 0.000 2.993 7.242) 7.836 5.751 ( -0.000 2.084 -7.410) 7.697 5.800 ( 0.000 -1.120 -8.766) 8.837 5.906 ( 0.000 -0.470 -8.797) 8.809 6.392 ( 0.000 2.733 4.388) 5.169 6.616 ( 0.000 1.977 5.881) 6.204 6.755 ( 0.000 2.501 -3.646) 4.422 6.999 ( 0.000 -0.294 -4.208) 4.218 7.130 ( 0.000 1.775 3.799) 4.193 7.493 ( 0.000 2.180 -5.529) 5.943 7.550 ( -0.000 -1.190 -1.613) 2.004 7.583 ( 0.000 -0.722 -1.406) 1.581 7.660 ( 0.000 0.438 0.383) 0.582 7.682 ( 0.000 2.103 0.660) 2.204 7.728 ( -0.000 -2.339 5.285) 5.780 7.782 ( -0.000 -1.432 3.208) 3.513 8.364 ( 0.000 -7.577 4.500) 8.813 8.675 ( 0.000 2.303 -3.260) 3.992 8.766 ( 0.000 5.161 3.393) 6.176 8.787 ( 0.000 -10.265 4.032) 11.029 9.017 ( 0.000 -8.058 -2.414) 8.412 9.122 ( -0.000 6.173 5.331) 8.156 9.136 ( 0.000 -5.844 -6.489) 8.733 9.576 ( 0.000 1.846 -5.514) 5.814 9.699 ( 0.000 2.356 6.278) 6.705 10.220 ( 0.000 0.942 3.816) 3.931 10.250 ( 0.000 3.556 -5.989) 6.965 10.403 ( 0.000 -2.354 0.562) 2.420 10.543 ( 0.000 -2.062 -3.476) 4.042 10.587 ( 0.000 -1.352 -4.046) 4.266 10.881 ( 0.000 -13.504 4.327) 14.181 11.067 ( 0.000 -9.412 -0.803) 9.446 12.058 ( 0.000 2.406 2.739) 3.646 12.259 ( 0.000 -0.374 -2.632) 2.658 12.766 ( 0.000 -3.125 7.151) 7.804 12.891 ( 0.000 13.697 6.887) 15.331 13.274 ( 0.000 -6.813 -6.156) 9.182 13.512 ( 0.000 13.955 -9.493) 16.878 14.041 ( 0.000 -3.896 6.121) 7.256 14.701 ( -0.000 -4.378 -12.582) 13.322 15.211 ( 0.000 0.611 4.980) 5.018 15.477 ( 0.000 8.102 -2.340) 8.433 15.496 ( -0.000 -0.033 10.869) 10.869 16.071 ( 0.000 2.254 2.817) 3.608 16.309 ( 0.000 0.160 0.565) 0.587 16.681 ( 0.000 -4.222 2.301) 4.808 16.795 ( 0.000 -2.126 -5.663) 6.048 16.863 ( 0.000 -2.252 -2.302) 3.220 24.211 ( -0.000 0.028 1.813) 1.813 24.393 ( -0.000 -1.503 1.834) 2.371 24.423 ( -0.000 -0.136 -4.450) 4.452 24.499 ( 0.000 2.114 2.445) 3.232 24.591 ( 0.000 0.887 3.124) 3.247 24.868 ( 0.000 -0.216 5.870) 5.874 25.080 ( 0.000 4.856 -6.111) 7.806 25.205 ( -0.000 1.188 -3.615) 3.805 26.592 ( 0.000 0.273 2.485) 2.500 26.857 ( 0.000 0.187 -6.169) 6.172 26.910 ( -0.000 -4.059 1.981) 4.516 27.061 ( 0.000 -2.054 -1.965) 2.843 27.243 ( 0.000 4.103 7.971) 8.965 27.608 ( 0.000 3.769 -3.163) 4.920 27.763 ( 0.000 0.222 10.716) 10.718 28.721 ( 0.000 -10.180 -13.571) 16.965 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 14.451 14.789) 20.677 1.261 ( 0.000 25.054 10.703) 27.244 1.633 ( 0.000 -0.092 1.745) 1.747 1.819 ( 0.000 22.288 -6.215) 23.138 1.860 ( 0.000 1.435 -4.719) 4.932 1.937 ( 0.000 12.049 -3.231) 12.474 2.244 ( 0.000 6.584 -9.389) 11.467 2.254 ( 0.000 10.088 -16.482) 19.324 2.391 ( 0.000 24.182 17.651) 29.939 2.766 ( 0.000 0.981 2.339) 2.537 2.770 ( 0.000 -9.111 -0.266) 9.115 2.970 ( 0.000 13.212 1.813) 13.335 2.984 ( 0.000 -4.026 -5.073) 6.476 3.006 ( 0.000 -2.474 -3.215) 4.056 3.112 ( 0.000 -4.979 8.116) 9.521 3.184 ( 0.000 -6.635 -11.662) 13.417 3.261 ( 0.000 -8.249 7.901) 11.422 3.314 ( 0.000 -3.845 8.393) 9.232 3.385 ( 0.000 -8.349 -0.719) 8.380 3.678 ( 0.000 -0.976 2.060) 2.280 3.786 ( 0.000 -3.677 8.320) 9.097 3.860 ( 0.000 2.275 -0.925) 2.456 3.895 ( 0.000 3.662 -6.379) 7.355 3.990 ( 0.000 0.945 1.428) 1.713 4.046 ( 0.000 -5.670 -6.080) 8.314 4.108 ( 0.000 1.406 12.717) 12.794 4.162 ( 0.000 -1.282 4.865) 5.031 4.278 ( 0.000 4.896 -0.967) 4.990 4.485 ( 0.000 -10.383 3.535) 10.968 4.599 ( 0.000 5.086 2.305) 5.584 4.711 ( 0.000 3.962 -1.147) 4.125 4.745 ( 0.000 -0.451 -2.498) 2.538 4.778 ( 0.000 2.271 -6.627) 7.005 5.091 ( 0.000 -2.813 3.934) 4.837 5.125 ( 0.000 -6.677 2.591) 7.162 5.229 ( 0.000 -3.068 -12.204) 12.583 6.719 ( 0.000 5.979 9.909) 11.573 6.766 ( 0.000 4.068 4.034) 5.729 7.044 ( 0.000 2.496 -2.478) 3.517 7.108 ( 0.000 2.633 2.788) 3.835 7.339 ( 0.000 -1.183 -5.097) 5.233 7.458 ( 0.000 -6.058 1.867) 6.339 7.514 ( 0.000 5.252 -7.638) 9.270 7.689 ( 0.000 -0.414 -3.703) 3.726 7.829 ( 0.000 -1.603 5.748) 5.968 7.832 ( 0.000 1.647 0.452) 1.708 7.850 ( 0.000 0.716 0.830) 1.096 8.244 ( 0.000 -3.560 -10.666) 11.245 8.357 ( 0.000 -0.903 1.865) 2.072 8.519 ( 0.000 -1.346 -2.440) 2.787 8.552 ( 0.000 -7.428 7.946) 10.877 8.893 ( 0.000 -15.729 -1.896) 15.843 9.053 ( 0.000 12.953 1.250) 13.013 9.117 ( 0.000 10.731 -1.254) 10.804 9.285 ( 0.000 -1.944 0.783) 2.095 9.509 ( 0.000 0.765 6.362) 6.408 9.514 ( 0.000 2.003 -9.014) 9.234 10.111 ( 0.000 3.153 -8.975) 9.512 10.291 ( 0.000 -15.729 5.544) 16.677 10.544 ( 0.000 -3.951 -1.846) 4.361 10.688 ( 0.000 -1.659 3.994) 4.325 10.771 ( 0.000 -3.062 6.698) 7.364 10.832 ( 0.000 -5.167 -1.540) 5.392 11.102 ( 0.000 -6.780 -2.713) 7.302 12.275 ( 0.000 8.495 10.217) 13.287 12.833 ( 0.000 -5.496 3.410) 6.469 13.015 ( 0.000 1.865 -13.426) 13.555 13.116 ( 0.000 -0.589 -3.727) 3.773 13.713 ( 0.000 12.973 8.684) 15.611 14.236 ( 0.000 17.171 -8.020) 18.952 14.451 ( 0.000 -9.536 5.616) 11.067 14.925 ( 0.000 -3.080 -3.306) 4.519 15.129 ( 0.000 -2.614 -2.674) 3.740 15.191 ( 0.000 -7.583 11.977) 14.175 15.320 ( 0.000 3.372 -4.192) 5.380 15.699 ( 0.000 -7.107 -5.168) 8.787 16.015 ( 0.000 2.100 4.557) 5.017 16.177 ( 0.000 -2.129 10.124) 10.346 16.317 ( 0.000 8.582 -3.670) 9.334 16.740 ( 0.000 -3.854 -5.560) 6.765 24.216 ( 0.000 1.193 2.237) 2.535 24.364 ( 0.000 -2.479 0.819) 2.611 24.406 ( 0.000 -0.997 -2.991) 3.153 24.432 ( 0.000 -0.599 -2.088) 2.172 24.746 ( 0.000 4.040 14.302) 14.861 24.883 ( 0.000 -0.077 7.657) 7.658 25.460 ( 0.000 5.699 -7.457) 9.385 25.742 ( 0.000 1.544 -18.573) 18.637 26.842 ( 0.000 -2.600 4.234) 4.968 26.860 ( 0.000 -3.919 2.039) 4.417 27.006 ( 0.000 -1.741 -1.935) 2.603 27.098 ( 0.000 -2.937 -3.353) 4.457 27.358 ( 0.000 4.359 3.842) 5.810 27.367 ( 0.000 -0.377 16.500) 16.504 27.620 ( 0.000 10.139 -2.937) 10.556 28.178 ( 0.000 -8.814 -8.868) 12.503 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 5.639 13.708 9.093) 17.389 1.459 ( 12.576 19.715 8.296) 24.813 1.669 ( 3.543 0.464 2.589) 4.413 1.758 ( -8.239 11.303 -7.901) 16.064 1.875 ( 1.612 2.083 -4.143) 4.909 1.955 ( 4.028 18.135 -0.827) 18.596 2.199 ( -0.484 10.734 -5.727) 12.175 2.286 ( -1.556 16.094 1.751) 16.263 2.439 ( 2.888 10.283 3.070) 11.113 2.748 ( -1.237 -6.579 -1.804) 6.934 2.854 ( 4.125 -4.677 -1.072) 6.328 2.878 ( 0.041 7.225 -1.225) 7.329 3.024 ( 0.986 -2.305 -1.712) 3.036 3.097 ( 7.186 -4.365 -1.062) 8.474 3.199 ( 2.537 -1.256 4.682) 5.471 3.237 ( 10.716 -2.463 2.187) 11.211 3.364 ( 10.215 -3.504 -2.260) 11.033 3.418 ( 4.797 -3.405 7.776) 9.750 3.435 ( 7.236 -6.146 0.483) 9.506 3.685 ( 1.732 0.402 1.240) 2.167 3.759 ( -4.958 0.164 2.882) 5.737 3.877 ( 4.307 0.369 4.699) 6.385 3.960 ( 4.912 2.174 -7.120) 8.919 4.008 ( 2.487 -5.000 -1.745) 5.851 4.068 ( 2.227 -0.289 2.638) 3.464 4.175 ( 7.605 0.734 7.326) 10.585 4.261 ( 8.651 0.989 2.637) 9.097 4.359 ( 6.978 2.938 -0.213) 7.574 4.533 ( 2.395 -4.366 2.225) 5.454 4.605 ( -0.416 0.501 0.583) 0.874 4.643 ( 2.554 3.721 -0.054) 4.513 4.804 ( 2.262 3.346 -2.953) 5.003 4.857 ( 4.787 -1.849 -2.204) 5.585 5.073 ( 0.072 -3.059 -1.286) 3.319 5.164 ( 4.303 -7.766 0.663) 8.903 5.251 ( 2.556 -2.348 -7.813) 8.550 6.630 ( -6.188 6.199 8.090) 11.923 6.761 ( -1.227 3.339 3.929) 5.301 7.046 ( -0.620 1.977 -3.561) 4.120 7.151 ( 3.323 3.327 3.581) 5.910 7.220 ( -10.486 2.670 -5.985) 12.366 7.450 ( 2.076 -3.741 1.738) 4.617 7.573 ( 2.177 2.299 -5.417) 6.274 7.682 ( -0.596 -0.911 -3.478) 3.644 7.796 ( -2.491 -0.212 3.738) 4.497 7.811 ( -2.145 1.493 0.715) 2.709 7.832 ( -1.639 0.051 0.698) 1.782 8.011 ( -12.240 3.986 -3.933) 13.460 8.348 ( -0.384 -1.461 3.840) 4.126 8.565 ( 5.051 -4.756 2.609) 7.412 8.725 ( 6.304 -10.306 -1.996) 12.245 8.881 ( -1.120 -13.966 -1.194) 14.061 9.042 ( -1.166 13.034 1.612) 13.185 9.207 ( 5.252 4.748 -3.120) 7.737 9.274 ( -0.331 0.730 1.828) 1.996 9.540 ( 1.715 1.516 -8.265) 8.576 9.551 ( 3.679 -0.270 6.047) 7.083 10.125 ( 1.708 1.225 -8.358) 8.619 10.301 ( 0.652 -15.045 4.742) 15.788 10.558 ( 0.510 -3.590 -2.645) 4.489 10.655 ( -2.671 -2.851 3.769) 5.428 10.702 ( -6.307 -3.354 5.290) 8.889 10.814 ( -1.672 -7.061 -0.751) 7.295 11.033 ( -6.612 -6.005 -2.981) 9.416 12.258 ( -1.609 8.787 8.690) 12.463 12.785 ( -6.598 -0.253 -1.848) 6.856 12.875 ( -8.778 0.706 -2.648) 9.196 13.126 ( 0.200 -2.731 -3.859) 4.731 13.577 ( -10.708 14.123 7.151) 19.112 14.133 ( -7.386 15.665 -9.830) 19.914 14.321 ( -10.603 -8.834 5.874) 14.999 14.891 ( -7.557 -7.928 -10.317) 15.047 15.133 ( 5.418 0.963 5.885) 8.057 15.227 ( 2.984 -2.762 10.117) 10.904 15.575 ( 18.910 -0.168 -3.945) 19.318 15.824 ( 7.099 -4.493 -6.641) 10.709 16.096 ( 7.120 -0.036 4.195) 8.264 16.191 ( 1.704 -1.856 9.430) 9.761 16.355 ( 5.059 6.317 -2.977) 8.624 16.743 ( 0.143 -4.049 -5.552) 6.873 24.216 ( 0.005 1.149 2.242) 2.520 24.362 ( -0.176 -2.474 0.889) 2.634 24.404 ( -0.047 -0.527 -2.793) 2.842 24.447 ( 1.214 -0.950 -2.580) 3.006 24.730 ( -1.413 4.334 13.066) 13.838 24.879 ( -0.346 -0.212 7.479) 7.490 25.426 ( -3.774 5.410 -7.133) 9.715 25.585 ( -11.327 5.526 -12.494) 17.747 26.764 ( -4.664 -0.771 2.733) 5.460 26.863 ( -1.296 -4.171 2.637) 5.102 26.989 ( -1.388 -0.890 -4.367) 4.668 27.095 ( -1.025 -3.720 -2.729) 4.726 27.351 ( -0.207 2.544 11.350) 11.634 27.439 ( 6.187 2.965 6.123) 9.196 27.768 ( 8.807 1.296 -2.961) 9.381 28.183 ( 2.042 -8.238 -9.255) 12.557 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 6.760 10.046 0.495) 12.118 1.537 ( -10.093 9.279 -5.451) 14.754 1.654 ( 5.340 10.539 1.858) 11.959 1.780 ( 7.317 5.588 5.939) 10.956 1.913 ( 1.743 1.267 -3.785) 4.356 2.054 ( 4.239 16.673 3.429) 17.542 2.202 ( 1.005 11.209 1.239) 11.322 2.277 ( 1.477 16.606 3.473) 17.029 2.417 ( -4.129 -0.763 -0.224) 4.205 2.706 ( -2.847 -4.322 1.634) 5.428 2.809 ( -2.655 -4.365 -7.440) 9.025 2.941 ( -0.337 -4.053 2.223) 4.635 3.089 ( 2.139 -8.420 -0.732) 8.719 3.226 ( 3.118 7.361 -3.633) 8.781 3.263 ( 3.679 -2.182 5.069) 6.632 3.437 ( 3.250 -0.258 2.109) 3.883 3.544 ( 9.088 0.969 3.568) 9.812 3.546 ( 6.279 -5.255 -0.101) 8.189 3.654 ( 4.078 -3.165 1.025) 5.263 3.700 ( 6.589 -1.299 5.229) 8.512 3.783 ( 11.721 7.168 2.752) 14.012 3.959 ( -1.045 -1.670 -10.104) 10.294 4.023 ( 7.443 2.161 2.291) 8.082 4.076 ( 2.229 0.389 -1.655) 2.804 4.194 ( 7.959 -0.719 0.117) 7.993 4.415 ( 13.754 -2.126 8.480) 16.297 4.438 ( 6.443 0.974 2.931) 7.145 4.512 ( 3.468 6.531 -2.448) 7.789 4.564 ( 9.057 1.777 -2.094) 9.464 4.676 ( 5.193 -0.235 2.845) 5.926 4.735 ( 3.427 -3.111 0.158) 4.631 4.856 ( 4.237 6.296 5.041) 9.111 4.947 ( 5.280 -4.914 -2.839) 7.752 5.177 ( 10.407 -3.095 -4.374) 11.705 5.353 ( 15.711 -5.797 -2.842) 16.986 5.374 ( 10.889 -3.544 -4.805) 12.419 6.522 ( -3.873 6.394 5.661) 9.377 6.724 ( -2.222 2.230 3.459) 4.677 6.993 ( -8.856 4.641 -5.354) 11.342 7.024 ( -2.236 0.748 -4.026) 4.665 7.216 ( 1.926 4.858 3.519) 6.300 7.499 ( 1.934 -2.548 1.577) 3.566 7.584 ( -0.781 2.358 -4.740) 5.352 7.650 ( -2.677 -1.212 -2.406) 3.798 7.736 ( -4.010 -0.492 1.638) 4.359 7.754 ( -3.519 3.289 0.272) 4.824 7.791 ( -1.786 -2.973 0.724) 3.543 7.858 ( -3.314 4.444 -1.547) 5.756 8.346 ( -0.617 -2.508 5.043) 5.666 8.629 ( 0.416 -9.617 1.837) 9.800 8.774 ( -1.570 -9.142 -2.340) 9.567 8.852 ( -1.480 -13.192 -1.777) 13.393 9.013 ( -1.332 14.629 2.577) 14.913 9.233 ( -0.544 5.816 -0.299) 5.849 9.289 ( -0.455 2.734 -0.757) 2.873 9.564 ( 1.162 3.248 -5.096) 6.153 9.633 ( 3.756 -1.794 6.451) 7.677 10.176 ( 2.876 -1.862 -6.951) 7.749 10.303 ( -0.556 -12.520 3.016) 12.890 10.510 ( -5.822 -2.985 1.102) 6.635 10.545 ( -7.364 -4.312 1.049) 8.598 10.625 ( -0.561 -3.877 1.290) 4.124 10.785 ( -0.769 -13.231 -1.020) 13.292 10.854 ( -10.130 -4.101 -2.923) 11.313 12.218 ( -2.063 8.913 5.667) 10.761 12.569 ( -10.610 9.606 -4.302) 14.945 12.770 ( -3.793 -5.799 5.029) 8.562 13.117 ( -0.975 -6.548 -4.257) 7.871 13.369 ( -8.671 14.893 6.377) 18.376 13.989 ( -6.598 14.252 -10.841) 19.083 14.107 ( -9.291 -7.833 5.761) 13.448 14.713 ( -7.656 -8.043 -11.577) 16.042 15.248 ( 1.186 0.576 10.032) 10.118 15.310 ( 7.331 0.694 9.074) 11.686 15.803 ( -0.253 5.891 -4.353) 7.329 15.969 ( 10.061 -0.969 -8.125) 12.969 16.192 ( 2.719 -0.972 8.878) 9.335 16.324 ( 10.122 -3.862 3.096) 11.267 16.535 ( 10.956 -0.270 -2.488) 11.238 16.743 ( -0.177 -4.239 -5.526) 6.966 24.217 ( 0.036 1.036 2.197) 2.429 24.357 ( -0.232 -2.499 1.181) 2.774 24.408 ( 0.426 0.008 -3.186) 3.214 24.474 ( 1.298 -1.203 -2.763) 3.282 24.697 ( -1.720 4.735 10.522) 11.666 24.870 ( -0.502 -0.546 7.027) 7.066 25.297 ( -7.232 7.024 -6.016) 11.740 25.413 ( -6.028 3.544 -7.677) 10.384 26.678 ( -3.576 0.385 2.539) 4.402 26.833 ( -1.321 -4.188 1.748) 4.726 26.943 ( -2.933 -1.158 -4.503) 5.497 27.061 ( -2.104 -3.653 -2.733) 5.024 27.352 ( 0.309 5.243 9.151) 10.551 27.580 ( 6.837 1.188 5.949) 9.140 27.826 ( -1.959 1.518 -2.776) 3.722 28.298 ( 7.558 -11.443 -9.991) 16.967 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -5.542 9.843 -2.606) 11.593 1.525 ( 3.134 10.596 -6.644) 12.893 1.735 ( 2.755 4.034 1.895) 5.240 1.917 ( 3.348 -4.891 -0.995) 6.010 1.952 ( 3.776 6.816 2.439) 8.165 2.094 ( -0.229 10.526 1.577) 10.646 2.270 ( 3.580 10.166 0.423) 10.786 2.324 ( 2.764 9.746 1.145) 10.195 2.363 ( 1.892 7.036 6.967) 10.081 2.623 ( -4.160 -0.328 5.254) 6.709 2.792 ( -2.205 -3.045 -2.171) 4.341 2.846 ( -6.186 -4.197 0.443) 7.488 3.074 ( -2.222 -0.235 10.175) 10.417 3.251 ( 1.503 -4.086 -6.434) 7.768 3.349 ( 3.579 0.164 -8.242) 8.987 3.459 ( 0.338 2.774 1.557) 3.199 3.581 ( -2.589 -2.650 2.622) 4.539 3.616 ( 0.129 -6.306 2.436) 6.762 3.711 ( 5.580 -0.711 0.481) 5.645 3.830 ( 4.363 -2.083 3.602) 6.029 3.941 ( -0.753 -0.407 -11.938) 11.968 3.999 ( -3.751 -0.858 3.580) 5.255 4.140 ( 13.875 6.004 0.604) 15.131 4.187 ( 4.095 4.602 -0.268) 6.166 4.349 ( 6.340 -1.421 -0.028) 6.497 4.483 ( -0.491 -0.113 1.447) 1.533 4.528 ( 1.618 2.144 0.542) 2.740 4.588 ( 1.753 1.650 3.842) 4.534 4.758 ( 0.008 -0.565 1.084) 1.222 4.799 ( 4.083 -2.035 3.351) 5.660 4.820 ( 10.169 0.242 -2.405) 10.453 5.040 ( 4.457 -3.614 -1.837) 6.025 5.077 ( 16.611 7.077 7.670) 19.618 5.489 ( 19.146 1.399 -4.682) 19.760 5.665 ( 14.557 -5.443 -2.375) 15.722 5.726 ( 16.091 -2.408 -4.362) 16.845 6.482 ( -0.124 6.203 2.881) 6.841 6.678 ( -2.203 1.606 3.086) 4.118 6.856 ( -4.298 3.765 -4.608) 7.341 6.990 ( -1.229 -1.147 -4.571) 4.870 7.226 ( -0.723 6.053 3.215) 6.892 7.517 ( 0.008 -2.350 1.071) 2.582 7.556 ( -1.378 3.422 -4.809) 6.061 7.591 ( -2.668 -1.282 -1.146) 3.174 7.659 ( -2.566 -0.080 0.810) 2.692 7.685 ( -2.329 0.289 0.892) 2.511 7.753 ( -2.747 -3.341 1.233) 4.498 7.805 ( -3.249 1.038 -0.613) 3.465 8.304 ( -3.224 -2.890 4.740) 6.420 8.594 ( -2.654 -10.858 1.496) 11.278 8.669 ( -7.557 -10.294 -2.462) 13.005 8.824 ( -1.252 -11.770 -2.975) 12.205 8.998 ( -0.173 16.070 2.941) 16.338 9.217 ( -1.179 9.093 -2.505) 9.505 9.259 ( -1.196 6.129 3.580) 7.199 9.602 ( 2.248 3.915 -3.708) 5.842 9.687 ( 1.469 -2.649 6.728) 7.378 10.232 ( 2.602 -2.529 -6.322) 7.289 10.284 ( -1.494 -6.002 2.700) 6.749 10.359 ( -5.859 -4.160 2.334) 7.556 10.455 ( -2.859 -9.277 -3.272) 10.244 10.606 ( -1.449 -3.554 -0.032) 3.838 10.670 ( -6.636 -3.300 -0.969) 7.474 10.778 ( -0.195 -16.854 -0.816) 16.875 12.182 ( -1.342 8.435 3.319) 9.163 12.408 ( -5.215 9.779 -2.609) 11.386 12.703 ( -2.595 -5.914 5.289) 8.347 13.096 ( -0.785 -9.246 -4.927) 10.506 13.240 ( -4.139 14.964 6.611) 16.875 13.871 ( -4.682 15.138 -10.336) 18.919 13.969 ( -4.286 -7.708 6.030) 10.683 14.605 ( -3.186 -8.018 -12.233) 14.969 15.246 ( -0.566 1.986 8.225) 8.480 15.433 ( 4.171 -1.080 11.635) 12.407 15.739 ( -3.699 11.178 -4.574) 12.632 16.105 ( 3.272 2.570 -2.166) 4.691 16.267 ( 3.974 -0.526 2.733) 4.852 16.501 ( 6.487 -6.037 2.954) 9.341 16.725 ( 5.415 -3.112 -3.046) 6.949 16.740 ( 1.363 -3.919 -5.046) 6.532 24.218 ( 0.046 0.910 2.043) 2.237 24.353 ( -0.160 -2.522 1.644) 3.015 24.418 ( 0.479 0.281 -3.807) 3.847 24.496 ( 0.839 -1.278 -2.586) 3.004 24.667 ( -1.093 4.875 8.467) 9.831 24.861 ( -0.372 -0.890 6.518) 6.589 25.196 ( -2.406 5.690 -5.328) 8.158 25.301 ( -5.058 1.916 -5.828) 7.951 26.623 ( -1.832 0.875 2.611) 3.307 26.814 ( -0.538 -4.805 1.955) 5.215 26.886 ( -2.299 -0.459 -4.498) 5.072 27.020 ( -1.604 -3.590 -2.625) 4.728 27.360 ( 0.410 7.138 7.276) 10.201 27.693 ( 3.899 0.877 4.726) 6.189 27.769 ( -2.490 4.239 -0.529) 4.944 28.422 ( 4.201 -13.752 -9.979) 17.503 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 10.322 -1.665) 10.455 1.555 ( -0.000 11.891 -7.973) 14.316 1.764 ( 0.000 1.780 1.350) 2.234 1.936 ( 0.000 -6.927 -4.047) 8.022 2.011 ( 0.000 1.402 3.941) 4.183 2.083 ( -0.000 10.301 1.859) 10.468 2.296 ( -0.000 9.202 -2.523) 9.541 2.341 ( 0.000 2.559 -2.162) 3.350 2.482 ( -0.000 17.541 13.015) 21.842 2.592 ( -0.000 -2.241 8.932) 9.208 2.642 ( 0.000 4.205 3.601) 5.536 2.826 ( 0.000 -5.074 -3.040) 5.915 3.048 ( 0.000 1.332 10.816) 10.897 3.274 ( -0.000 -8.106 -9.989) 12.864 3.394 ( 0.000 -2.312 -10.894) 11.137 3.457 ( 0.000 7.193 2.811) 7.723 3.536 ( -0.000 -2.506 4.023) 4.739 3.620 ( 0.000 -7.503 1.551) 7.661 3.784 ( -0.000 0.601 -0.603) 0.851 3.879 ( -0.000 -2.199 -2.603) 3.408 3.932 ( 0.000 -1.507 -11.354) 11.453 3.938 ( -0.000 -2.140 10.318) 10.538 4.189 ( 0.000 7.563 -6.772) 10.152 4.329 ( 0.000 3.867 6.432) 7.505 4.411 ( 0.000 0.053 -3.913) 3.914 4.465 ( 0.000 -4.249 6.267) 7.571 4.538 ( 0.000 3.509 -0.020) 3.509 4.618 ( -0.000 -0.365 3.728) 3.746 4.727 ( 0.000 0.192 0.709) 0.735 4.837 ( 0.000 -1.490 5.518) 5.715 4.937 ( 0.000 -0.296 -3.702) 3.714 5.077 ( 0.000 -3.732 -2.326) 4.398 5.307 ( 0.000 7.004 7.505) 10.266 5.804 ( -0.000 2.960 -5.098) 5.895 5.807 ( 0.000 0.037 -3.144) 3.144 5.850 ( 0.000 -3.675 -1.956) 4.164 6.493 ( 0.000 6.656 0.454) 6.672 6.648 ( 0.000 0.990 3.482) 3.620 6.811 ( 0.000 2.867 -4.245) 5.122 6.979 ( -0.000 -1.839 -5.151) 5.470 7.212 ( -0.000 6.315 3.441) 7.191 7.514 ( 0.000 -2.466 -0.005) 2.466 7.551 ( -0.000 3.116 -5.350) 6.191 7.561 ( 0.000 -1.327 -0.761) 1.530 7.649 ( 0.000 -1.662 0.426) 1.715 7.677 ( 0.000 -2.507 3.432) 4.250 7.693 ( -0.000 -1.158 0.675) 1.340 7.741 ( -0.000 -2.351 0.560) 2.417 8.259 ( 0.000 -2.331 3.892) 4.537 8.561 ( 0.000 -8.660 -3.888) 9.493 8.569 ( 0.000 -10.964 3.065) 11.385 8.810 ( 0.000 -11.492 -3.109) 11.905 8.998 ( 0.000 16.536 2.673) 16.750 9.201 ( 0.000 11.377 -3.380) 11.868 9.250 ( 0.000 6.639 5.592) 8.680 9.630 ( 0.000 3.357 -3.844) 5.103 9.699 ( 0.000 -3.008 6.823) 7.457 10.249 ( 0.000 1.468 2.476) 2.879 10.268 ( -0.000 -1.549 -4.880) 5.120 10.313 ( 0.000 -9.779 -0.450) 9.789 10.422 ( 0.000 -11.469 -3.868) 12.103 10.575 ( 0.000 0.355 -3.963) 3.979 10.614 ( 0.000 -7.912 4.268) 8.990 10.776 ( 0.000 -17.186 -0.495) 17.193 12.168 ( 0.000 8.106 2.485) 8.478 12.355 ( 0.000 9.389 -2.241) 9.653 12.675 ( 0.000 -5.888 5.465) 8.033 13.090 ( 0.000 -11.126 -5.216) 12.288 13.198 ( 0.000 15.781 6.660) 17.129 13.820 ( 0.000 15.734 -9.848) 18.562 13.927 ( 0.000 -7.508 6.111) 9.680 14.574 ( -0.000 -8.195 -12.511) 14.956 15.239 ( 0.000 2.366 7.470) 7.836 15.476 ( -0.000 -2.300 12.898) 13.101 15.696 ( -0.000 13.116 -4.853) 13.985 16.135 ( 0.000 3.798 0.522) 3.834 16.311 ( 0.000 -0.227 -0.222) 0.317 16.569 ( 0.000 -6.625 3.069) 7.301 16.733 ( 0.000 -3.622 -5.296) 6.416 16.802 ( 0.000 -3.671 -2.804) 4.619 24.218 ( -0.000 0.854 1.940) 2.119 24.351 ( 0.000 -2.526 1.892) 3.156 24.423 ( -0.000 0.330 -4.089) 4.103 24.505 ( -0.000 -1.272 -2.468) 2.776 24.655 ( 0.000 4.897 7.733) 9.153 24.857 ( 0.000 -1.035 6.281) 6.366 25.185 ( 0.000 4.765 -6.232) 7.845 25.235 ( -0.000 1.573 -4.147) 4.435 26.604 ( 0.000 1.019 2.636) 2.826 26.810 ( 0.000 -5.418 2.549) 5.987 26.861 ( 0.000 0.317 -4.963) 4.973 27.003 ( 0.000 -3.535 -2.519) 4.341 27.365 ( 0.000 7.769 6.578) 10.180 27.726 ( 0.000 7.971 -3.559) 8.730 27.749 ( 0.000 -1.961 8.205) 8.436 28.464 ( 0.000 -14.358 -9.885) 17.432 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 8.886 4.000) 9.744 1.596 ( 0.000 -3.313 -0.056) 3.314 1.742 ( 0.000 20.222 3.665) 20.551 1.910 ( 0.000 5.191 -3.719) 6.386 1.930 ( 0.000 -2.834 -9.230) 9.655 2.144 ( 0.000 -8.219 2.432) 8.571 2.381 ( 0.000 14.625 -5.324) 15.564 2.469 ( 0.000 8.830 -12.773) 15.528 2.645 ( 0.000 0.687 -4.578) 4.629 2.723 ( 0.000 -6.300 -0.831) 6.355 2.764 ( 0.000 9.756 6.052) 11.480 2.869 ( 0.000 -5.902 -5.987) 8.406 2.973 ( 0.000 -2.448 -2.839) 3.748 2.990 ( 0.000 -0.625 0.690) 0.931 3.015 ( 0.000 -4.616 5.679) 7.319 3.108 ( 0.000 -7.843 7.112) 10.587 3.239 ( 0.000 -2.143 5.539) 5.939 3.241 ( 0.000 -4.027 3.437) 5.294 3.474 ( 0.000 22.339 -1.159) 22.369 3.661 ( 0.000 -0.809 2.079) 2.231 3.736 ( 0.000 -0.780 5.217) 5.275 3.832 ( 0.000 -5.625 -2.164) 6.027 3.945 ( 0.000 2.582 1.542) 3.007 3.988 ( 0.000 -0.954 -3.481) 3.609 4.030 ( 0.000 3.683 2.185) 4.282 4.128 ( 0.000 0.332 9.385) 9.391 4.135 ( 0.000 -1.320 5.593) 5.746 4.222 ( 0.000 -14.444 9.437) 17.254 4.442 ( 0.000 10.252 -3.971) 10.994 4.637 ( 0.000 -8.285 -2.595) 8.682 4.720 ( 0.000 6.571 0.889) 6.631 4.801 ( 0.000 5.051 -1.260) 5.205 4.815 ( 0.000 -1.506 -7.704) 7.850 4.928 ( 0.000 -8.101 2.774) 8.563 5.121 ( 0.000 2.010 1.942) 2.795 5.173 ( 0.000 -2.729 -6.585) 7.128 6.804 ( 0.000 2.487 8.228) 8.595 6.820 ( 0.000 0.943 4.902) 4.992 7.138 ( 0.000 6.662 -1.377) 6.803 7.178 ( 0.000 4.539 2.603) 5.232 7.268 ( 0.000 -5.173 -1.089) 5.286 7.304 ( 0.000 -8.180 2.395) 8.524 7.600 ( 0.000 3.379 -8.185) 8.855 7.656 ( 0.000 -2.360 -6.382) 6.804 7.823 ( 0.000 0.076 3.350) 3.351 7.824 ( 0.000 -0.254 2.214) 2.229 7.954 ( 0.000 7.372 -2.731) 7.862 8.117 ( 0.000 -8.239 -7.472) 11.122 8.364 ( 0.000 1.760 2.180) 2.802 8.432 ( 0.000 -4.896 3.593) 6.072 8.526 ( 0.000 2.516 -1.977) 3.200 8.638 ( 0.000 -9.136 -1.950) 9.342 9.272 ( 0.000 5.591 -0.133) 5.593 9.286 ( 0.000 1.327 1.420) 1.943 9.339 ( 0.000 10.400 -2.966) 10.815 9.496 ( 0.000 -4.383 -6.504) 7.843 9.599 ( 0.000 11.260 7.445) 13.498 9.930 ( 0.000 -19.039 5.877) 19.926 10.198 ( 0.000 6.059 -8.432) 10.383 10.369 ( 0.000 -10.608 -5.795) 12.088 10.681 ( 0.000 0.765 5.672) 5.723 10.714 ( 0.000 -2.422 6.388) 6.832 10.840 ( 0.000 4.408 -0.367) 4.423 10.960 ( 0.000 -6.986 -1.392) 7.123 12.484 ( 0.000 11.141 6.586) 12.942 12.689 ( 0.000 -8.887 4.634) 10.023 13.055 ( 0.000 2.143 -9.110) 9.359 13.094 ( 0.000 -1.603 -5.828) 6.045 13.979 ( 0.000 13.235 7.760) 15.342 14.233 ( 0.000 -12.008 6.490) 13.650 14.558 ( 0.000 14.588 -9.926) 17.644 14.803 ( 0.000 -9.445 -10.226) 13.920 15.081 ( 0.000 -1.199 6.182) 6.297 15.093 ( 0.000 -2.564 9.313) 9.660 15.422 ( 0.000 6.285 -4.168) 7.542 15.557 ( 0.000 -7.035 -5.055) 8.663 16.066 ( 0.000 2.910 6.165) 6.817 16.126 ( 0.000 -2.894 8.182) 8.679 16.489 ( 0.000 8.288 -4.887) 9.621 16.638 ( 0.000 -6.378 -5.452) 8.390 24.253 ( 0.000 2.402 1.713) 2.950 24.308 ( 0.000 -2.935 1.229) 3.182 24.400 ( 0.000 0.327 -2.600) 2.620 24.415 ( 0.000 -0.996 -2.433) 2.629 24.823 ( 0.000 3.251 11.904) 12.340 24.870 ( 0.000 -1.382 9.458) 9.559 25.584 ( 0.000 6.410 -9.623) 11.562 25.701 ( 0.000 -4.718 -12.947) 13.780 26.803 ( 0.000 -1.051 3.741) 3.886 26.806 ( 0.000 -1.395 2.870) 3.191 26.999 ( 0.000 0.954 -2.466) 2.644 27.038 ( 0.000 -2.771 -3.142) 4.190 27.395 ( 0.000 1.932 9.870) 10.057 27.411 ( 0.000 0.792 6.029) 6.081 27.816 ( 0.000 9.361 -4.557) 10.412 27.998 ( 0.000 -8.969 -6.632) 11.155 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 3.452 8.699 2.034) 9.577 1.628 ( 3.002 -3.286 -0.408) 4.469 1.800 ( 1.917 8.351 -1.927) 8.783 1.849 ( -6.079 0.751 -7.315) 9.540 1.981 ( 6.516 11.672 1.644) 13.469 2.235 ( 6.696 -5.634 1.990) 8.974 2.379 ( -0.362 14.655 -4.093) 15.220 2.465 ( -1.891 7.126 -6.956) 10.136 2.619 ( -3.260 0.100 -2.542) 4.135 2.703 ( -4.164 -0.152 -0.409) 4.187 2.729 ( -0.050 -1.348 0.366) 1.397 2.865 ( -1.827 -7.710 -3.929) 8.844 2.910 ( -1.775 1.329 -1.259) 2.550 3.064 ( 10.219 -1.628 0.752) 10.375 3.131 ( 2.691 -6.776 7.128) 10.196 3.168 ( 11.823 -4.370 2.956) 12.947 3.350 ( 9.496 -1.227 3.380) 10.154 3.361 ( 8.873 -1.848 6.429) 11.112 3.581 ( 7.364 15.043 -3.003) 17.016 3.701 ( 4.145 -0.320 -1.113) 4.304 3.749 ( 0.358 2.411 3.617) 4.362 3.853 ( 4.394 -3.120 1.815) 5.687 3.974 ( 2.610 1.947 1.069) 3.427 3.994 ( 2.468 1.123 -4.682) 5.411 4.091 ( 3.343 3.070 5.436) 7.082 4.197 ( 8.093 1.373 6.725) 10.612 4.239 ( 9.362 -2.237 4.928) 10.814 4.295 ( 6.590 -14.353 8.608) 17.987 4.502 ( 5.790 9.008 -3.484) 11.261 4.661 ( 1.684 -3.617 -1.287) 4.192 4.724 ( 0.278 4.676 -2.828) 5.471 4.764 ( 0.180 0.333 -4.634) 4.649 4.907 ( 6.332 0.920 -2.822) 6.993 4.967 ( 4.578 -6.623 1.678) 8.224 5.089 ( -1.793 2.355 1.614) 3.371 5.182 ( 1.030 -4.728 -3.927) 6.232 6.737 ( -4.884 4.235 6.571) 9.218 6.789 ( -2.847 -0.745 4.294) 5.205 7.113 ( -2.782 4.393 -2.665) 5.843 7.199 ( -6.350 -3.291 -2.592) 7.608 7.238 ( 4.678 4.805 3.326) 7.485 7.348 ( 4.103 -5.723 2.539) 7.485 7.608 ( 0.230 1.668 -6.073) 6.302 7.647 ( -0.920 -2.104 -5.289) 5.766 7.795 ( -2.514 -0.006 2.239) 3.367 7.801 ( -2.059 -0.331 2.521) 3.272 7.930 ( -2.472 6.583 -3.307) 7.770 8.037 ( -6.100 -2.513 -5.838) 8.809 8.356 ( -0.469 2.373 2.909) 3.783 8.446 ( 0.799 -6.254 3.077) 7.015 8.571 ( 3.020 -2.661 -2.716) 4.856 8.636 ( -0.126 -8.439 -1.821) 8.634 9.277 ( 0.997 7.198 1.199) 7.365 9.326 ( 2.875 2.569 0.886) 3.956 9.391 ( 4.089 9.683 -3.069) 10.950 9.531 ( 2.906 -3.340 -5.849) 7.336 9.603 ( 0.400 9.469 7.344) 11.990 9.929 ( -0.139 -19.330 5.495) 20.096 10.187 ( -0.817 4.868 -7.634) 9.091 10.359 ( -0.995 -11.944 -5.597) 13.228 10.632 ( -4.569 0.333 5.384) 7.069 10.655 ( -5.440 -1.729 5.657) 8.037 10.805 ( -3.372 3.739 -0.460) 5.056 10.908 ( -4.962 -6.101 -1.751) 8.057 12.466 ( -1.711 10.986 5.929) 12.600 12.668 ( -1.997 -8.718 4.430) 9.981 12.961 ( -8.098 5.221 -7.199) 12.027 13.057 ( -3.632 -4.165 -5.457) 7.766 13.855 ( -9.939 13.441 6.847) 18.064 14.107 ( -10.116 -11.589 6.272) 16.613 14.441 ( -8.672 14.098 -10.531) 19.617 14.697 ( -9.003 -11.378 -11.271) 18.373 15.152 ( 6.998 0.989 9.079) 11.506 15.179 ( 6.348 -1.848 10.115) 12.084 15.625 ( 15.958 4.329 -5.231) 17.343 15.725 ( 12.166 -5.231 -6.131) 14.594 16.111 ( 4.143 1.469 5.749) 7.237 16.149 ( 2.529 -2.159 7.560) 8.259 16.498 ( 1.241 7.482 -4.504) 8.821 16.638 ( 0.092 -6.298 -5.318) 8.243 24.252 ( -0.084 2.358 1.765) 2.946 24.306 ( -0.152 -2.910 1.299) 3.190 24.404 ( 0.448 0.586 -2.680) 2.780 24.424 ( 0.807 -1.244 -2.671) 3.054 24.813 ( -1.005 3.468 11.218) 11.785 24.863 ( -0.641 -1.564 9.102) 9.258 25.533 ( -4.775 5.104 -8.856) 11.282 25.612 ( -7.612 -2.083 -10.951) 13.498 26.760 ( -3.046 0.624 3.107) 4.396 26.793 ( -1.751 -2.654 3.221) 4.526 26.982 ( -1.664 0.611 -3.448) 3.876 27.020 ( -1.609 -3.165 -2.954) 4.619 27.417 ( 2.167 3.444 8.597) 9.511 27.463 ( 4.375 -0.700 6.646) 7.987 27.866 ( 3.737 6.999 -4.745) 9.245 28.019 ( 2.242 -8.015 -6.681) 10.672 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 4.191 7.331 -2.404) 8.780 1.698 ( -0.978 1.807 -3.086) 3.707 1.702 ( -2.467 2.258 -3.264) 4.673 1.803 ( -1.195 -3.467 -3.288) 4.925 2.096 ( 3.044 13.117 3.803) 13.992 2.296 ( -2.212 -3.782 2.511) 5.050 2.397 ( 2.923 12.537 -2.231) 13.065 2.421 ( -0.746 6.577 -2.191) 6.973 2.537 ( -3.097 2.935 -1.028) 4.389 2.659 ( -0.212 -2.215 -3.084) 3.803 2.727 ( -0.407 -1.698 2.093) 2.725 2.832 ( -0.310 -10.369 -3.890) 11.079 2.918 ( 1.224 4.717 0.777) 4.934 3.158 ( 1.430 -11.713 9.902) 15.404 3.298 ( 7.739 4.254 0.814) 8.868 3.401 ( 7.633 -4.596 2.168) 9.170 3.496 ( 4.641 1.354 3.227) 5.813 3.548 ( 6.255 -2.780 3.120) 7.523 3.648 ( 0.441 1.973 -1.896) 2.772 3.677 ( 0.928 -1.134 1.791) 2.314 3.946 ( 2.628 3.054 -3.051) 5.054 3.970 ( 7.852 2.783 -3.531) 9.047 4.087 ( 9.812 1.232 -3.793) 10.592 4.092 ( 9.228 3.961 -1.412) 10.141 4.196 ( 7.816 5.365 7.414) 12.035 4.389 ( 6.790 -2.974 9.064) 11.710 4.430 ( 9.167 -1.131 4.947) 10.478 4.484 ( 10.390 -8.330 4.465) 14.046 4.658 ( 7.927 6.550 -2.996) 10.711 4.685 ( 2.840 3.853 -1.632) 5.057 4.742 ( 1.157 1.688 -3.755) 4.276 4.829 ( 5.757 -6.421 -3.506) 9.309 5.044 ( 4.903 10.291 2.237) 11.616 5.132 ( 15.356 -0.194 -1.427) 15.423 5.209 ( 15.371 -7.006 -0.117) 16.893 5.263 ( 9.893 -7.723 -0.213) 12.552 6.647 ( -3.555 5.567 4.156) 7.804 6.727 ( -2.924 -2.100 2.912) 4.630 7.038 ( -4.443 1.179 -3.987) 6.085 7.048 ( -7.299 0.508 -4.228) 8.450 7.326 ( 3.213 5.574 2.935) 7.072 7.426 ( 2.853 -4.392 2.207) 5.683 7.596 ( -1.343 0.205 -3.258) 3.530 7.618 ( -1.870 -1.836 -3.268) 4.189 7.731 ( -3.617 0.354 1.727) 4.024 7.753 ( -2.570 -1.323 1.789) 3.399 7.849 ( -5.262 6.019 -3.185) 8.606 7.930 ( -4.506 -0.096 -4.202) 6.162 8.341 ( -1.353 2.261 3.433) 4.328 8.442 ( -1.415 -7.791 2.744) 8.380 8.590 ( -1.676 -4.603 -2.327) 5.423 8.636 ( -0.233 -7.618 -2.905) 8.156 9.306 ( 1.679 10.928 2.351) 11.303 9.382 ( 2.263 5.375 1.436) 6.006 9.461 ( 2.147 11.066 -3.203) 11.719 9.592 ( 2.787 -1.001 -1.748) 3.439 9.612 ( 0.465 3.829 5.122) 6.412 9.923 ( -0.386 -20.590 4.346) 21.047 10.175 ( -0.347 1.856 -6.341) 6.616 10.328 ( -2.008 -13.083 -5.679) 14.404 10.508 ( -7.436 0.218 5.085) 9.011 10.531 ( -5.480 -2.249 4.571) 7.482 10.717 ( -4.719 1.936 -1.280) 5.259 10.775 ( -7.450 -3.587 -2.330) 8.590 12.421 ( -2.579 10.503 4.493) 11.712 12.614 ( -3.028 -8.356 4.019) 9.754 12.780 ( -8.680 9.598 -4.587) 13.730 12.965 ( -4.859 -8.568 -4.682) 10.906 13.658 ( -8.377 13.634 6.318) 17.204 13.907 ( -8.480 -11.166 6.117) 15.297 14.276 ( -7.087 13.351 -11.267) 18.853 14.521 ( -7.320 -11.040 -11.672) 17.655 15.272 ( 3.290 1.660 11.318) 11.903 15.304 ( 5.757 -1.210 11.158) 12.614 15.904 ( 7.458 3.763 -6.494) 10.581 15.951 ( 11.047 -1.209 -7.706) 13.523 16.198 ( 4.222 1.610 6.789) 8.155 16.250 ( 6.834 -3.325 4.717) 8.945 16.561 ( 5.083 2.961 -3.637) 6.916 16.646 ( 0.747 -5.055 -4.885) 7.069 24.250 ( -0.103 2.241 1.881) 2.927 24.302 ( -0.210 -2.846 1.516) 3.232 24.417 ( 0.778 0.950 -3.044) 3.282 24.444 ( 1.049 -1.582 -2.983) 3.536 24.787 ( -1.367 3.903 9.655) 10.503 24.846 ( -0.922 -1.986 8.230) 8.516 25.405 ( -7.131 3.914 -7.083) 10.785 25.450 ( -7.469 -0.282 -8.016) 10.960 26.698 ( -2.803 1.768 2.880) 4.391 26.752 ( -1.990 -3.562 2.936) 5.027 26.937 ( -2.401 0.837 -3.932) 4.683 26.982 ( -2.017 -3.519 -3.200) 5.167 27.469 ( 2.629 5.835 7.303) 9.710 27.562 ( 4.860 -3.004 6.560) 8.699 27.918 ( 1.146 7.131 -4.840) 8.694 28.088 ( 4.017 -9.543 -6.707) 12.336 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -3.852 10.018 -2.838) 11.102 1.682 ( 2.515 5.312 -6.550) 8.801 1.752 ( 1.350 -3.633 -3.488) 5.214 1.772 ( -1.431 -6.522 -3.235) 7.419 2.120 ( 0.250 8.385 4.810) 9.670 2.236 ( -2.398 -0.914 4.418) 5.110 2.430 ( 1.355 7.266 -2.393) 7.769 2.448 ( 0.907 6.512 -2.373) 6.990 2.521 ( 1.684 4.757 -0.392) 5.061 2.671 ( 0.938 -4.329 -2.499) 5.085 2.719 ( -0.511 0.672 0.872) 1.214 2.822 ( -0.925 -1.877 2.903) 3.579 2.964 ( 3.300 0.408 -1.169) 3.525 3.151 ( -2.390 -5.706 11.547) 13.100 3.364 ( 0.524 -0.532 4.174) 4.240 3.444 ( -1.685 -4.516 3.272) 5.826 3.548 ( 1.726 2.731 -2.525) 4.100 3.608 ( 1.421 0.027 0.702) 1.585 3.711 ( 5.229 1.449 -0.652) 5.465 3.763 ( 5.156 -3.415 1.799) 6.441 3.932 ( -2.563 0.646 -6.732) 7.232 3.966 ( -3.786 -2.157 -0.413) 4.377 4.277 ( 5.453 3.872 -3.129) 7.383 4.302 ( 7.305 7.208 3.258) 10.767 4.335 ( 5.469 0.121 -1.215) 5.604 4.440 ( -0.484 -4.070 5.273) 6.679 4.570 ( 4.042 2.359 2.554) 5.331 4.620 ( 2.992 -0.792 1.365) 3.383 4.724 ( 1.149 -0.681 -0.168) 1.346 4.747 ( 1.797 -1.818 1.520) 2.974 4.864 ( 7.333 3.047 -3.418) 8.645 4.942 ( 4.415 -4.854 -2.703) 7.096 5.273 ( 15.935 11.253 6.387) 20.526 5.497 ( 14.694 -10.384 3.015) 18.244 5.553 ( 22.348 4.689 -1.737) 22.900 5.657 ( 20.586 -4.793 -1.847) 21.217 6.604 ( -0.504 5.363 1.482) 5.587 6.679 ( -1.820 -1.820 1.503) 2.981 6.918 ( -4.744 2.517 -4.880) 7.256 6.960 ( -3.145 -1.775 -5.058) 6.215 7.358 ( 0.087 6.161 2.419) 6.620 7.454 ( 0.232 -3.740 1.542) 4.052 7.563 ( -1.638 -0.179 -1.516) 2.239 7.581 ( -1.417 -1.603 -2.833) 3.550 7.661 ( -2.805 0.350 1.548) 3.223 7.690 ( -3.864 -1.511 1.074) 4.286 7.730 ( -5.905 4.389 -0.899) 7.412 7.817 ( -7.071 -2.072 -2.373) 7.741 8.297 ( -2.572 2.231 3.065) 4.581 8.399 ( -2.227 -7.902 2.633) 8.622 8.524 ( -3.900 -1.379 -2.540) 4.854 8.612 ( -1.616 -8.634 -2.965) 9.271 9.343 ( 2.051 13.565 2.804) 14.003 9.407 ( 0.072 9.264 2.346) 9.556 9.483 ( 0.415 13.837 -2.819) 14.127 9.608 ( -0.006 -0.762 7.751) 7.789 9.651 ( 2.056 -1.291 -3.184) 4.004 9.918 ( -0.087 -22.728 2.991) 22.925 10.175 ( 0.398 -1.102 -6.144) 6.255 10.278 ( -2.754 -10.435 -6.211) 12.452 10.372 ( -5.007 2.594 4.533) 7.235 10.453 ( -2.131 -6.949 4.471) 8.534 10.632 ( -3.525 -0.107 -2.217) 4.166 10.641 ( -4.836 -0.957 -2.341) 5.458 12.372 ( -1.904 9.891 3.260) 10.587 12.558 ( -2.267 -8.143 3.790) 9.263 12.638 ( -4.964 11.986 -3.323) 13.392 12.880 ( -3.169 -11.739 -4.247) 12.880 13.534 ( -3.857 13.733 6.355) 15.616 13.781 ( -3.921 -10.913 6.151) 13.126 14.162 ( -3.991 13.691 -11.041) 18.035 14.412 ( -3.508 -11.167 -11.857) 16.662 15.305 ( 0.514 3.757 11.023) 11.657 15.383 ( 2.165 -3.633 12.675) 13.362 15.967 ( 0.607 10.617 -7.295) 12.896 16.118 ( 4.899 -3.284 -7.894) 9.854 16.280 ( 3.316 2.918 5.774) 7.270 16.378 ( 4.924 -6.005 4.317) 8.885 16.669 ( 1.975 -1.751 -4.027) 4.815 16.674 ( 4.354 -2.113 -3.605) 6.035 24.248 ( -0.061 2.113 1.973) 2.892 24.299 ( -0.140 -2.781 1.814) 3.323 24.432 ( 0.611 1.163 -3.451) 3.693 24.463 ( 0.748 -1.784 -3.124) 3.674 24.763 ( -0.946 4.236 8.202) 9.279 24.829 ( -0.671 -2.390 7.324) 7.734 25.286 ( -3.992 3.141 -5.694) 7.630 25.320 ( -5.071 -0.280 -6.122) 7.954 26.654 ( -1.496 2.354 2.730) 3.903 26.720 ( -1.089 -4.204 2.745) 5.138 26.895 ( -1.548 1.448 -3.953) 4.485 26.946 ( -1.383 -3.443 -3.242) 4.927 27.514 ( 1.648 7.637 6.227) 9.991 27.644 ( 2.937 -4.880 6.418) 8.581 27.925 ( -0.124 10.154 -4.624) 11.158 28.155 ( 2.286 -12.618 -6.600) 14.422 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 10.982 -2.116) 11.184 1.714 ( 0.000 4.697 -8.813) 9.986 1.744 ( 0.000 -10.253 -2.723) 10.609 1.770 ( 0.000 -1.313 -4.764) 4.942 2.122 ( 0.000 6.709 5.428) 8.630 2.212 ( 0.000 0.179 5.597) 5.600 2.446 ( 0.000 5.969 -3.504) 6.922 2.453 ( -0.000 5.124 -2.812) 5.845 2.557 ( -0.000 3.275 2.358) 4.036 2.681 ( 0.000 -3.872 -3.226) 5.040 2.710 ( 0.000 -0.375 -3.380) 3.401 2.809 ( 0.000 4.876 8.630) 9.912 3.022 ( -0.000 -3.565 -5.081) 6.207 3.097 ( 0.000 1.486 14.479) 14.555 3.391 ( 0.000 -6.891 5.042) 8.539 3.392 ( -0.000 -4.904 4.668) 6.771 3.573 ( 0.000 4.404 -5.204) 6.818 3.616 ( 0.000 2.765 2.928) 4.027 3.805 ( -0.000 1.417 -4.558) 4.774 3.836 ( -0.000 -1.393 -2.253) 2.648 3.873 ( 0.000 -1.987 -7.398) 7.660 3.896 ( -0.000 -2.391 6.950) 7.350 4.328 ( 0.000 4.914 -3.729) 6.168 4.375 ( 0.000 0.256 5.373) 5.379 4.405 ( 0.000 -0.598 -3.382) 3.435 4.409 ( 0.000 -1.338 3.942) 4.163 4.615 ( -0.000 3.695 0.546) 3.735 4.636 ( 0.000 1.272 0.527) 1.377 4.726 ( 0.000 0.567 0.953) 1.109 4.780 ( 0.000 -3.923 3.388) 5.183 4.942 ( 0.000 0.942 -3.453) 3.579 4.988 ( 0.000 -3.890 -2.655) 4.710 5.476 ( -0.000 9.553 7.620) 12.220 5.672 ( 0.000 -9.478 5.216) 10.819 5.858 ( -0.000 1.989 -2.589) 3.265 5.868 ( 0.000 1.112 -2.062) 2.343 6.612 ( -0.000 4.262 -0.541) 4.296 6.655 ( 0.000 -0.465 0.926) 1.036 6.867 ( 0.000 2.824 -5.115) 5.843 6.927 ( -0.000 -3.088 -5.818) 6.586 7.351 ( 0.000 6.562 2.433) 6.998 7.453 ( 0.000 -3.725 1.139) 3.895 7.544 ( 0.000 0.062 -1.407) 1.408 7.567 ( -0.000 -1.729 -3.237) 3.669 7.633 ( 0.000 -0.009 0.705) 0.705 7.638 ( 0.000 -1.178 1.973) 2.298 7.667 ( -0.000 0.205 0.187) 0.278 7.698 ( 0.000 -1.939 -0.325) 1.966 8.266 ( 0.000 2.798 2.731) 3.910 8.374 ( 0.000 -7.964 2.694) 8.407 8.477 ( 0.000 1.287 -2.622) 2.921 8.593 ( 0.000 -9.305 -2.856) 9.733 9.381 ( 0.000 18.381 0.727) 18.396 9.391 ( -0.000 7.245 4.862) 8.726 9.486 ( 0.000 14.273 -2.583) 14.505 9.609 ( 0.000 -2.287 7.695) 8.027 9.672 ( 0.000 -1.424 -3.050) 3.366 9.918 ( 0.000 -23.807 2.417) 23.930 10.184 ( -0.000 -3.009 -6.514) 7.175 10.242 ( 0.000 -8.551 -6.301) 10.621 10.322 ( 0.000 3.977 4.343) 5.889 10.433 ( 0.000 -8.737 4.515) 9.835 10.586 ( 0.000 0.441 -3.238) 3.268 10.599 ( 0.000 -1.459 -1.506) 2.097 12.352 ( 0.000 9.596 2.799) 9.996 12.533 ( 0.000 -8.238 3.803) 9.074 12.587 ( 0.000 12.813 -3.065) 13.175 12.846 ( 0.000 -12.841 -4.126) 13.487 13.496 ( 0.000 13.783 6.374) 15.185 13.743 ( 0.000 -10.805 6.179) 12.447 14.120 ( 0.000 14.073 -10.752) 17.710 14.377 ( 0.000 -11.439 -11.845) 16.467 15.308 ( 0.000 4.421 10.764) 11.636 15.403 ( 0.000 -4.632 13.084) 13.880 15.968 ( 0.000 13.091 -7.370) 15.023 16.164 ( 0.000 -4.314 -7.937) 9.034 16.316 ( 0.000 3.068 5.331) 6.150 16.430 ( 0.000 -6.935 4.321) 8.171 16.687 ( 0.000 -0.096 -4.082) 4.083 16.727 ( 0.000 -3.431 -3.328) 4.780 24.248 ( -0.000 2.059 2.001) 2.871 24.297 ( 0.000 -2.753 1.966) 3.383 24.439 ( 0.000 1.231 -3.612) 3.816 24.471 ( 0.000 -1.852 -3.154) 3.657 24.752 ( 0.000 4.348 7.625) 8.777 24.822 ( 0.000 -2.553 6.933) 7.388 25.251 ( 0.000 1.753 -5.759) 6.020 25.260 ( -0.000 0.673 -4.930) 4.976 26.639 ( 0.000 2.545 2.672) 3.690 26.709 ( 0.000 -4.427 2.683) 5.177 26.879 ( 0.000 1.706 -3.935) 4.289 26.931 ( 0.000 -3.356 -3.194) 4.633 27.532 ( 0.000 8.272 5.820) 10.114 27.674 ( 0.000 -5.611 6.362) 8.483 27.923 ( 0.000 11.521 -4.493) 12.366 28.178 ( 0.000 -13.810 -6.518) 15.271 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 0.000 24.797) 24.797 1.042 ( 0.000 0.000 27.715) 27.715 1.393 ( 0.000 0.000 -12.120) 12.120 1.515 ( 0.000 0.000 -22.861) 22.861 1.600 ( 0.000 0.000 0.752) 0.752 1.605 ( 0.000 0.000 1.552) 1.552 1.743 ( 0.000 0.000 7.755) 7.755 1.882 ( 0.000 0.000 -7.724) 7.724 2.136 ( 0.000 0.000 35.804) 35.804 2.745 ( 0.000 0.000 -25.244) 25.244 2.819 ( 0.000 0.000 6.381) 6.381 2.917 ( 0.000 0.000 1.693) 1.693 2.939 ( 0.000 0.000 -6.501) 6.501 2.974 ( 0.000 0.000 -4.428) 4.428 3.239 ( 0.000 0.000 -1.323) 1.323 3.286 ( 0.000 0.000 -7.027) 7.027 3.373 ( 0.000 0.000 6.229) 6.229 3.475 ( 0.000 0.000 -5.000) 5.000 3.684 ( 0.000 0.000 2.327) 2.327 3.699 ( 0.000 0.000 4.864) 4.864 3.765 ( 0.000 0.000 4.537) 4.537 3.789 ( 0.000 0.000 6.113) 6.113 3.857 ( 0.000 0.000 -4.729) 4.729 4.011 ( 0.000 0.000 -13.471) 13.471 4.308 ( 0.000 0.000 7.009) 7.009 4.309 ( 0.000 0.000 13.375) 13.375 4.397 ( 0.000 0.000 3.371) 3.371 4.438 ( 0.000 0.000 0.108) 0.108 4.442 ( 0.000 0.000 -7.014) 7.014 4.459 ( 0.000 0.000 -1.474) 1.474 4.711 ( 0.000 0.000 7.767) 7.767 4.784 ( 0.000 0.000 2.545) 2.545 4.808 ( 0.000 0.000 0.019) 0.019 4.982 ( 0.000 0.000 -19.968) 19.968 5.137 ( 0.000 0.000 4.630) 4.630 5.239 ( 0.000 0.000 -6.456) 6.456 6.645 ( 0.000 0.000 5.815) 5.815 6.757 ( 0.000 0.000 -5.961) 5.961 6.805 ( 0.000 0.000 8.480) 8.480 6.944 ( 0.000 0.000 -6.364) 6.364 7.122 ( 0.000 0.000 5.466) 5.466 7.238 ( 0.000 0.000 -6.990) 6.990 7.559 ( 0.000 0.000 3.739) 3.739 7.627 ( 0.000 0.000 -3.367) 3.367 7.819 ( 0.000 0.000 2.520) 2.520 7.862 ( 0.000 0.000 -1.918) 1.918 8.106 ( 0.000 0.000 6.617) 6.617 8.193 ( 0.000 0.000 -2.770) 2.770 8.453 ( 0.000 0.000 2.762) 2.762 8.511 ( 0.000 0.000 -3.552) 3.552 8.822 ( 0.000 0.000 2.635) 2.635 8.857 ( 0.000 0.000 -1.259) 1.259 9.131 ( 0.000 0.000 -0.732) 0.732 9.148 ( 0.000 0.000 -2.371) 2.371 9.400 ( 0.000 0.000 0.855) 0.855 9.407 ( 0.000 0.000 0.037) 0.037 9.642 ( 0.000 0.000 10.212) 10.212 9.851 ( 0.000 0.000 -11.876) 11.876 10.502 ( 0.000 0.000 0.298) 0.298 10.507 ( 0.000 0.000 -0.225) 0.225 10.913 ( 0.000 0.000 3.916) 3.916 10.985 ( 0.000 0.000 -3.708) 3.708 11.000 ( 0.000 0.000 8.940) 8.940 11.153 ( 0.000 0.000 -7.410) 7.410 12.618 ( 0.000 0.000 -0.173) 0.173 12.618 ( 0.000 0.000 -0.198) 0.198 12.994 ( 0.000 0.000 3.732) 3.732 13.064 ( 0.000 0.000 -3.653) 3.653 13.445 ( 0.000 0.000 8.961) 8.961 13.612 ( 0.000 0.000 -8.737) 8.737 14.797 ( 0.000 0.000 9.535) 9.535 14.988 ( 0.000 0.000 -10.243) 10.243 15.035 ( 0.000 0.000 5.180) 5.180 15.148 ( 0.000 0.000 -7.550) 7.550 15.854 ( 0.000 0.000 0.288) 0.288 15.874 ( 0.000 0.000 -1.813) 1.813 16.012 ( 0.000 0.000 1.619) 1.619 16.027 ( 0.000 0.000 0.062) 0.062 16.454 ( 0.000 0.000 12.875) 12.875 16.667 ( 0.000 0.000 -10.056) 10.056 24.274 ( 0.000 0.000 4.760) 4.760 24.367 ( 0.000 0.000 -5.119) 5.119 24.421 ( 0.000 0.000 0.773) 0.773 24.445 ( 0.000 0.000 -1.883) 1.883 24.969 ( 0.000 0.000 3.626) 3.626 25.020 ( 0.000 0.000 9.170) 9.170 25.027 ( 0.000 0.000 -2.600) 2.600 25.191 ( 0.000 0.000 -8.950) 8.950 26.988 ( 0.000 0.000 5.523) 5.523 27.080 ( 0.000 0.000 0.733) 0.733 27.093 ( 0.000 0.000 -0.618) 0.618 27.097 ( 0.000 0.000 -6.127) 6.127 27.212 ( 0.000 0.000 2.579) 2.579 27.259 ( 0.000 0.000 -2.395) 2.395 28.017 ( 0.000 0.000 6.716) 6.716 28.136 ( 0.000 0.000 -6.039) 6.039 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 9.388 0.000 18.104) 20.394 1.177 ( 4.818 0.000 13.947) 14.756 1.457 ( -3.856 0.000 -4.566) 5.976 1.474 ( 9.633 0.000 -3.228) 10.159 1.666 ( 4.719 0.000 -1.917) 5.094 1.740 ( 1.715 0.000 8.374) 8.548 1.756 ( 11.301 0.000 -9.669) 14.873 1.865 ( -1.037 0.000 -6.103) 6.191 2.280 ( 13.114 0.000 34.073) 36.509 2.761 ( -1.952 0.000 -0.391) 1.990 2.818 ( 3.654 0.000 -18.036) 18.403 2.830 ( -0.715 0.000 -4.870) 4.922 3.074 ( 3.064 0.000 2.117) 3.724 3.137 ( 9.196 0.000 -2.378) 9.499 3.247 ( 5.467 0.000 -2.664) 6.082 3.273 ( 6.239 0.000 -4.477) 7.679 3.442 ( 3.344 0.000 -1.412) 3.630 3.474 ( 0.280 0.000 -2.428) 2.445 3.684 ( 1.105 0.000 0.499) 1.212 3.700 ( -2.778 0.000 1.909) 3.371 3.733 ( 2.931 0.000 9.415) 9.861 3.876 ( 7.307 0.000 2.380) 7.685 4.033 ( 7.428 0.000 -2.429) 7.815 4.043 ( 2.038 0.000 -8.352) 8.597 4.320 ( -4.191 0.000 9.372) 10.266 4.352 ( -1.107 0.000 7.375) 7.457 4.370 ( 7.513 0.000 3.728) 8.388 4.409 ( 0.272 0.000 0.792) 0.837 4.446 ( 1.041 0.000 0.002) 1.041 4.497 ( 5.118 0.000 -3.271) 6.075 4.680 ( 3.677 0.000 7.046) 7.948 4.814 ( 2.616 0.000 3.694) 4.526 4.911 ( 6.147 0.000 -6.382) 8.861 4.925 ( -1.474 0.000 -15.692) 15.761 5.159 ( 1.645 0.000 1.567) 2.272 5.243 ( 0.464 0.000 -6.667) 6.683 6.577 ( -5.023 0.000 7.077) 8.678 6.707 ( -3.937 0.000 -6.687) 7.760 6.799 ( -0.638 0.000 8.490) 8.514 6.940 ( -0.484 0.000 -6.471) 6.489 7.161 ( 2.898 0.000 5.392) 6.121 7.275 ( 2.850 0.000 -6.791) 7.364 7.560 ( -0.001 0.000 3.232) 3.232 7.618 ( -0.943 0.000 -2.776) 2.932 7.829 ( 0.894 0.000 2.049) 2.235 7.865 ( 0.345 0.000 -1.690) 1.725 7.952 ( -9.589 0.000 2.045) 9.805 7.961 ( -12.224 0.000 1.389) 12.302 8.637 ( 11.353 0.000 5.625) 12.670 8.663 ( 5.632 0.000 4.674) 7.319 8.760 ( -1.038 0.000 1.618) 1.922 8.810 ( -3.690 0.000 -2.554) 4.488 9.208 ( 3.362 0.000 -0.347) 3.379 9.255 ( 0.806 0.000 -4.222) 4.298 9.402 ( 0.032 0.000 2.382) 2.382 9.495 ( 9.431 0.000 -9.546) 13.418 9.672 ( 2.965 0.000 8.662) 9.155 9.866 ( 1.612 0.000 -11.217) 11.333 10.478 ( -2.008 0.000 0.618) 2.101 10.489 ( -1.300 0.000 -0.563) 1.417 10.914 ( -7.972 0.000 7.806) 11.157 10.936 ( 1.629 0.000 3.765) 4.102 11.020 ( 2.855 0.000 -3.388) 4.431 11.067 ( -7.610 0.000 -6.841) 10.232 12.436 ( -12.757 0.000 5.088) 13.734 12.500 ( -9.086 0.000 -2.504) 9.424 13.060 ( 2.513 0.000 5.016) 5.610 13.137 ( 5.070 0.000 -3.416) 6.114 13.306 ( -11.396 0.000 7.638) 13.719 13.460 ( -10.184 0.000 -9.050) 13.625 14.658 ( -11.427 0.000 9.961) 15.159 14.869 ( -11.006 0.000 -12.633) 16.755 15.167 ( 11.271 0.000 6.852) 13.190 15.281 ( 10.329 0.000 -4.523) 11.276 15.810 ( -6.077 0.000 0.348) 6.087 15.834 ( -4.053 0.000 -2.933) 5.003 16.164 ( 14.220 0.000 2.113) 14.376 16.202 ( 15.547 0.000 -2.103) 15.688 16.471 ( 0.994 0.000 12.290) 12.331 16.676 ( 0.641 0.000 -9.807) 9.828 24.272 ( -0.221 0.000 4.509) 4.514 24.359 ( -0.717 0.000 -4.783) 4.837 24.424 ( 0.283 0.000 0.943) 0.984 24.449 ( 0.489 0.000 -1.750) 1.817 24.877 ( -6.247 0.000 7.829) 10.016 24.985 ( -3.328 0.000 -4.278) 5.420 25.027 ( -0.221 0.000 9.207) 9.209 25.195 ( -0.077 0.000 -8.781) 8.782 26.843 ( -7.563 0.000 3.101) 8.174 26.901 ( -7.773 0.000 -3.090) 8.365 27.080 ( -1.223 0.000 1.545) 1.970 27.109 ( -0.655 0.000 -1.541) 1.675 27.393 ( 12.233 0.000 5.965) 13.610 27.451 ( 5.795 0.000 1.427) 5.968 28.058 ( -6.491 0.000 -2.837) 7.084 28.083 ( 7.418 0.000 -8.132) 11.008 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.161 0.000 3.444) 4.066 1.225 ( -3.562 0.000 -1.189) 3.755 1.520 ( 12.273 0.000 12.078) 17.219 1.697 ( 8.919 0.000 10.151) 13.513 1.721 ( 5.293 0.000 -4.146) 6.723 1.847 ( 0.936 0.000 -3.936) 4.045 1.883 ( 8.613 0.000 3.734) 9.387 1.972 ( 8.335 0.000 -4.599) 9.519 2.514 ( 6.754 0.000 17.062) 18.350 2.708 ( -5.865 0.000 3.910) 7.049 2.804 ( -1.114 0.000 -14.258) 14.302 2.822 ( -2.612 0.000 -8.686) 9.070 3.175 ( 7.279 0.000 8.985) 11.564 3.262 ( 2.097 0.000 0.411) 2.137 3.369 ( 0.095 0.000 6.923) 6.924 3.482 ( 0.940 0.000 -1.661) 1.909 3.482 ( 0.723 0.000 -3.483) 3.557 3.567 ( 17.801 0.000 -12.818) 21.936 3.737 ( 4.509 0.000 1.789) 4.851 3.750 ( 7.257 0.000 0.532) 7.276 3.860 ( 11.966 0.000 9.945) 15.559 3.986 ( 1.534 0.000 3.483) 3.806 4.043 ( -3.672 0.000 1.010) 3.809 4.104 ( 9.692 0.000 -11.567) 15.091 4.169 ( -4.798 0.000 8.335) 9.618 4.328 ( -6.400 0.000 -6.750) 9.302 4.425 ( 2.715 0.000 1.647) 3.176 4.452 ( 0.897 0.000 -2.529) 2.683 4.680 ( 17.924 0.000 4.651) 18.518 4.726 ( 12.367 0.000 0.789) 12.392 4.823 ( 8.175 0.000 9.331) 12.406 4.876 ( 3.388 0.000 5.506) 6.464 5.016 ( 6.635 0.000 -3.644) 7.570 5.067 ( 9.659 0.000 -9.551) 13.584 5.251 ( 10.810 0.000 -4.896) 11.867 5.302 ( 8.153 0.000 -8.582) 11.837 6.498 ( -2.239 0.000 7.823) 8.137 6.639 ( -2.111 0.000 -7.259) 7.560 6.779 ( -1.246 0.000 8.700) 8.789 6.925 ( -0.914 0.000 -6.818) 6.879 7.208 ( 1.351 0.000 5.681) 5.839 7.325 ( 1.730 0.000 -6.877) 7.091 7.549 ( -1.201 0.000 2.056) 2.381 7.584 ( -2.413 0.000 -1.494) 2.838 7.777 ( -5.921 0.000 1.691) 6.158 7.788 ( -6.335 0.000 0.215) 6.338 7.857 ( 1.071 0.000 1.013) 1.475 7.875 ( 0.375 0.000 -0.876) 0.953 8.644 ( -3.246 0.000 6.418) 7.192 8.727 ( -4.116 0.000 -2.502) 4.817 8.807 ( 4.656 0.000 6.754) 8.204 8.859 ( 6.541 0.000 1.359) 6.681 9.199 ( -4.006 0.000 -0.613) 4.053 9.223 ( -1.281 0.000 -2.941) 3.208 9.388 ( -2.686 0.000 4.689) 5.404 9.550 ( -5.952 0.000 -12.032) 13.424 9.734 ( 2.712 0.000 8.135) 8.575 9.918 ( 3.395 0.000 -10.625) 11.154 10.442 ( -1.179 0.000 1.981) 2.305 10.479 ( 0.519 0.000 -2.370) 2.426 10.700 ( -12.082 0.000 6.855) 13.891 10.824 ( -11.911 0.000 -6.132) 13.396 11.018 ( 2.643 0.000 3.500) 4.386 11.083 ( 2.842 0.000 -3.330) 4.378 12.225 ( -7.091 0.000 6.914) 9.904 12.329 ( -6.736 0.000 -4.701) 8.215 13.037 ( -3.674 0.000 7.925) 8.736 13.075 ( -9.745 0.000 6.961) 11.976 13.213 ( 1.741 0.000 -4.154) 4.504 13.308 ( -5.255 0.000 -11.352) 12.509 14.431 ( -9.681 0.000 10.492) 14.276 14.653 ( -8.982 0.000 -13.270) 16.024 15.385 ( -0.922 0.000 4.673) 4.763 15.386 ( 7.715 0.000 5.120) 9.259 15.668 ( -5.460 0.000 4.079) 6.815 15.822 ( 3.772 0.000 -11.419) 12.026 16.462 ( 1.670 0.000 10.260) 10.395 16.469 ( 13.988 0.000 2.710) 14.248 16.539 ( 12.423 0.000 -1.081) 12.470 16.683 ( -0.030 0.000 -9.713) 9.713 24.266 ( -0.300 0.000 3.956) 3.968 24.344 ( -0.607 0.000 -4.388) 4.429 24.433 ( 0.654 0.000 1.621) 1.748 24.467 ( 1.148 0.000 -1.701) 2.052 24.769 ( -4.140 0.000 9.726) 10.571 24.921 ( -2.621 0.000 -6.572) 7.076 25.014 ( -0.882 0.000 8.676) 8.721 25.175 ( -1.840 0.000 -8.521) 8.717 26.727 ( -4.053 0.000 3.337) 5.250 26.799 ( -3.089 0.000 -4.539) 5.491 27.046 ( -2.000 0.000 1.973) 2.809 27.084 ( -1.557 0.000 -2.042) 2.568 27.451 ( -3.252 0.000 9.241) 9.796 27.563 ( 2.456 0.000 -1.574) 2.917 27.962 ( -0.505 0.000 10.913) 10.925 28.272 ( 9.271 0.000 -21.255) 23.189 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.948 0.000 1.081) 2.228 1.138 ( -3.421 0.000 0.008) 3.421 1.766 ( 8.596 0.000 6.519) 10.788 1.801 ( 5.081 0.000 6.985) 8.637 1.900 ( 5.979 0.000 -2.916) 6.652 1.909 ( 4.805 0.000 -0.075) 4.806 2.059 ( 10.186 0.000 5.032) 11.361 2.130 ( 8.619 0.000 -3.303) 9.230 2.512 ( -6.944 0.000 5.128) 8.632 2.559 ( -7.618 0.000 2.389) 7.984 2.763 ( -4.193 0.000 -3.217) 5.285 2.807 ( 2.464 0.000 -4.396) 5.040 3.162 ( -4.988 0.000 8.501) 9.856 3.275 ( 1.083 0.000 -3.208) 3.386 3.394 ( 0.565 0.000 10.835) 10.850 3.490 ( 0.591 0.000 -3.828) 3.873 3.502 ( 0.603 0.000 -3.006) 3.066 3.633 ( -4.877 0.000 -8.775) 10.040 3.858 ( 3.550 0.000 3.857) 5.242 3.912 ( 7.584 0.000 -4.080) 8.612 3.965 ( -1.339 0.000 5.783) 5.936 4.004 ( 1.212 0.000 -0.006) 1.212 4.050 ( -2.072 0.000 3.045) 3.683 4.188 ( -6.036 0.000 -9.189) 10.994 4.280 ( 14.346 0.000 5.570) 15.389 4.373 ( 5.714 0.000 -3.372) 6.635 4.507 ( 8.043 0.000 1.465) 8.175 4.580 ( 15.935 0.000 -7.375) 17.558 4.863 ( 1.007 0.000 8.130) 8.192 4.909 ( 0.537 0.000 6.963) 6.984 4.922 ( 1.654 0.000 4.125) 4.445 4.979 ( 4.984 0.000 -2.901) 5.767 5.136 ( 11.481 0.000 7.640) 13.790 5.304 ( 14.473 0.000 -10.793) 18.054 5.557 ( 13.123 0.000 -7.823) 15.278 5.567 ( 11.695 0.000 -8.342) 14.365 6.488 ( 0.838 0.000 7.752) 7.797 6.626 ( 0.503 0.000 -6.904) 6.922 6.755 ( -1.071 0.000 8.929) 8.993 6.906 ( -0.845 0.000 -7.212) 7.261 7.217 ( -0.091 0.000 6.185) 6.186 7.343 ( 0.338 0.000 -7.302) 7.310 7.527 ( -0.141 0.000 0.940) 0.951 7.543 ( -0.489 0.000 -0.783) 0.923 7.694 ( -2.623 0.000 0.832) 2.752 7.696 ( -2.935 0.000 0.468) 2.972 7.867 ( -1.298 0.000 0.818) 1.534 7.868 ( -0.241 0.000 0.755) 0.792 8.577 ( -3.183 0.000 4.187) 5.260 8.641 ( -4.295 0.000 -2.400) 4.920 8.841 ( -0.240 0.000 9.182) 9.185 8.966 ( 3.772 0.000 -1.654) 4.119 9.130 ( -7.866 0.000 2.777) 8.342 9.140 ( -1.357 0.000 2.750) 3.066 9.309 ( -14.295 0.000 -6.269) 15.609 9.357 ( 1.329 0.000 -8.105) 8.214 9.789 ( 2.233 0.000 9.920) 10.168 9.984 ( 2.519 0.000 -10.788) 11.078 10.418 ( -2.888 0.000 5.882) 6.552 10.488 ( -6.072 0.000 3.960) 7.249 10.494 ( 0.602 0.000 -3.410) 3.463 10.598 ( -8.857 0.000 -6.745) 11.133 11.070 ( 2.015 0.000 3.721) 4.231 11.125 ( 1.287 0.000 -2.212) 2.559 12.141 ( -1.907 0.000 5.480) 5.802 12.238 ( -2.502 0.000 -5.033) 5.621 12.937 ( -3.838 0.000 9.533) 10.276 12.979 ( -1.117 0.000 7.939) 8.017 13.203 ( -5.294 0.000 -10.245) 11.532 13.209 ( -1.581 0.000 -7.928) 8.084 14.287 ( -4.499 0.000 11.152) 12.025 14.523 ( -3.868 0.000 -14.196) 14.714 15.325 ( -3.187 0.000 5.315) 6.197 15.401 ( -3.548 0.000 -2.892) 4.578 15.674 ( 3.782 0.000 13.447) 13.969 15.917 ( 4.015 0.000 -11.949) 12.605 16.460 ( -0.468 0.000 12.206) 12.215 16.668 ( 1.321 0.000 -8.231) 8.336 16.702 ( 5.892 0.000 1.176) 6.008 16.758 ( 7.634 0.000 -3.224) 8.287 24.261 ( -0.187 0.000 3.564) 3.569 24.336 ( -0.155 0.000 -4.575) 4.578 24.446 ( 0.521 0.000 2.439) 2.494 24.489 ( 0.894 0.000 -1.725) 1.943 24.708 ( -1.952 0.000 9.754) 9.947 24.885 ( -0.923 0.000 -8.699) 8.748 24.997 ( -0.735 0.000 7.453) 7.489 25.131 ( -2.131 0.000 -7.028) 7.344 26.669 ( -1.808 0.000 3.981) 4.372 26.755 ( -1.393 0.000 -5.457) 5.632 27.008 ( -1.547 0.000 2.394) 2.850 27.054 ( -1.254 0.000 -2.476) 2.775 27.386 ( -2.534 0.000 8.843) 9.199 27.527 ( -3.285 0.000 -6.422) 7.213 28.020 ( 3.799 0.000 19.756) 20.118 28.419 ( 4.940 0.000 -22.706) 23.237 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.000 0.954) 0.954 1.112 ( 0.000 0.000 0.709) 0.709 1.850 ( 0.000 0.000 5.472) 5.472 1.868 ( 0.000 0.000 8.293) 8.293 1.944 ( -0.000 0.000 -4.498) 4.498 1.962 ( 0.000 0.000 -1.377) 1.377 2.282 ( -0.000 0.000 8.050) 8.050 2.301 ( -0.000 0.000 -0.422) 0.422 2.320 ( 0.000 0.000 -2.040) 2.040 2.424 ( 0.000 0.000 -6.959) 6.959 2.693 ( 0.000 0.000 10.394) 10.394 2.849 ( 0.000 0.000 -0.393) 0.393 3.101 ( 0.000 0.000 9.720) 9.720 3.302 ( 0.000 0.000 -6.187) 6.187 3.389 ( 0.000 0.000 7.285) 7.285 3.504 ( 0.000 0.000 -4.484) 4.484 3.527 ( 0.000 0.000 -5.720) 5.720 3.531 ( -0.000 0.000 -6.894) 6.894 3.897 ( 0.000 0.000 9.272) 9.272 3.960 ( 0.000 0.000 1.095) 1.095 4.008 ( -0.000 0.000 -4.535) 4.535 4.013 ( -0.000 0.000 3.067) 3.067 4.016 ( 0.000 0.000 -1.736) 1.736 4.104 ( 0.000 0.000 -8.876) 8.876 4.394 ( 0.000 0.000 1.262) 1.262 4.407 ( 0.000 0.000 -0.287) 0.287 4.746 ( 0.000 0.000 4.375) 4.375 4.753 ( -0.000 0.000 7.068) 7.068 4.846 ( 0.000 0.000 -6.144) 6.144 4.876 ( 0.000 0.000 -4.084) 4.084 4.921 ( 0.000 0.000 10.391) 10.391 4.994 ( 0.000 0.000 0.098) 0.098 5.341 ( 0.000 0.000 10.410) 10.410 5.544 ( 0.000 0.000 -11.308) 11.308 5.631 ( 0.000 0.000 -6.636) 6.636 5.669 ( 0.000 0.000 -10.359) 10.359 6.502 ( 0.000 0.000 7.679) 7.679 6.636 ( 0.000 0.000 -6.576) 6.576 6.742 ( 0.000 0.000 8.989) 8.989 6.896 ( 0.000 0.000 -7.391) 7.391 7.215 ( 0.000 0.000 6.487) 6.487 7.346 ( 0.000 0.000 -7.550) 7.550 7.545 ( 0.000 0.000 0.272) 0.272 7.561 ( -0.000 0.000 -1.271) 1.271 7.663 ( 0.000 0.000 0.408) 0.408 7.663 ( 0.000 0.000 0.440) 0.440 7.841 ( 0.000 0.000 3.030) 3.030 7.857 ( 0.000 0.000 1.376) 1.376 8.536 ( 0.000 0.000 2.874) 2.874 8.583 ( 0.000 0.000 -1.900) 1.900 8.836 ( 0.000 0.000 9.593) 9.593 9.028 ( 0.000 0.000 2.196) 2.196 9.045 ( 0.000 0.000 -12.322) 12.322 9.065 ( -0.000 0.000 -1.090) 1.090 9.161 ( 0.000 0.000 11.445) 11.445 9.384 ( 0.000 0.000 -11.577) 11.577 9.812 ( 0.000 0.000 10.070) 10.070 10.009 ( 0.000 0.000 -10.797) 10.797 10.355 ( 0.000 0.000 8.061) 8.061 10.456 ( 0.000 0.000 2.146) 2.146 10.499 ( -0.000 0.000 -7.223) 7.223 10.505 ( 0.000 0.000 -3.109) 3.109 11.091 ( 0.000 0.000 3.403) 3.403 11.137 ( 0.000 0.000 -1.516) 1.516 12.125 ( 0.000 0.000 4.785) 4.785 12.215 ( 0.000 0.000 -4.913) 4.913 12.904 ( 0.000 0.000 11.481) 11.481 12.980 ( -0.000 0.000 11.328) 11.328 13.133 ( 0.000 0.000 -13.001) 13.001 13.185 ( 0.000 0.000 -10.497) 10.497 14.243 ( 0.000 0.000 11.471) 11.471 14.486 ( 0.000 0.000 -14.623) 14.623 15.290 ( 0.000 0.000 4.421) 4.421 15.357 ( 0.000 0.000 -2.796) 2.796 15.719 ( 0.000 0.000 13.936) 13.936 15.959 ( 0.000 0.000 -11.093) 11.093 16.454 ( 0.000 0.000 12.068) 12.068 16.668 ( 0.000 0.000 -10.378) 10.378 16.775 ( 0.000 0.000 3.239) 3.239 16.836 ( 0.000 0.000 -3.273) 3.273 24.259 ( 0.000 0.000 3.455) 3.455 24.335 ( 0.000 0.000 -4.777) 4.777 24.452 ( 0.000 0.000 2.773) 2.773 24.499 ( 0.000 0.000 -1.788) 1.788 24.689 ( 0.000 0.000 9.810) 9.810 24.877 ( 0.000 0.000 -9.878) 9.878 24.989 ( 0.000 0.000 6.831) 6.831 25.106 ( 0.000 0.000 -5.823) 5.823 26.651 ( 0.000 0.000 4.196) 4.196 26.741 ( 0.000 0.000 -5.629) 5.629 26.991 ( 0.000 0.000 2.530) 2.530 27.040 ( 0.000 0.000 -2.651) 2.651 27.359 ( 0.000 0.000 8.137) 8.137 27.489 ( 0.000 0.000 -5.929) 5.929 28.063 ( 0.000 0.000 20.604) 20.604 28.469 ( 0.000 0.000 -22.590) 22.590 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 13.353 23.885) 27.364 1.299 ( 0.000 21.236 20.116) 29.251 1.499 ( 0.000 11.682 3.027) 12.068 1.604 ( 0.000 8.216 -19.958) 21.583 1.640 ( 0.000 4.928 -0.308) 4.938 1.728 ( 0.000 -1.286 6.599) 6.724 1.771 ( 0.000 10.598 -14.477) 17.941 1.863 ( 0.000 -1.381 -8.983) 9.089 2.327 ( 0.000 17.597 27.736) 32.847 2.719 ( 0.000 1.080 -12.273) 12.320 2.825 ( 0.000 0.413 5.614) 5.629 2.932 ( 0.000 -0.765 -5.930) 5.979 2.983 ( 0.000 0.820 0.449) 0.935 2.991 ( 0.000 1.950 -0.738) 2.085 3.186 ( 0.000 -5.702 -3.225) 6.551 3.261 ( 0.000 1.356 -11.507) 11.587 3.335 ( 0.000 -3.666 6.536) 7.494 3.446 ( 0.000 -3.865 -5.647) 6.843 3.595 ( 0.000 -5.653 9.345) 10.922 3.697 ( 0.000 -1.526 -1.517) 2.152 3.760 ( 0.000 -0.474 4.225) 4.251 3.823 ( 0.000 2.361 4.479) 5.063 3.858 ( 0.000 -0.541 -5.341) 5.368 3.981 ( 0.000 -2.636 -11.117) 11.425 4.198 ( 0.000 -9.012 9.636) 13.193 4.289 ( 0.000 -5.692 -0.879) 5.759 4.306 ( 0.000 -0.071 8.242) 8.243 4.414 ( 0.000 -0.611 12.114) 12.129 4.465 ( 0.000 1.880 -8.604) 8.807 4.539 ( 0.000 3.739 -1.539) 4.043 4.683 ( 0.000 -0.269 7.203) 7.208 4.745 ( 0.000 -3.431 3.410) 4.837 4.791 ( 0.000 -2.002 -1.315) 2.396 4.956 ( 0.000 -1.666 -19.784) 19.854 5.153 ( 0.000 1.057 3.676) 3.825 5.220 ( 0.000 -1.931 -3.826) 4.286 6.764 ( 0.000 10.291 10.966) 15.038 6.814 ( 0.000 1.167 7.486) 7.577 6.941 ( 0.000 0.102 -6.089) 6.090 6.980 ( 0.000 15.239 -12.700) 19.837 7.147 ( 0.000 2.198 6.059) 6.445 7.276 ( 0.000 3.354 -7.729) 8.425 7.558 ( 0.000 -0.442 3.573) 3.601 7.626 ( 0.000 -0.240 -3.544) 3.552 7.824 ( 0.000 0.551 2.058) 2.130 7.858 ( 0.000 -0.331 -1.438) 1.476 8.042 ( 0.000 -5.450 6.797) 8.712 8.154 ( 0.000 -3.875 -5.461) 6.696 8.432 ( 0.000 -1.701 2.943) 3.399 8.493 ( 0.000 -1.621 -3.616) 3.963 8.889 ( 0.000 6.668 2.384) 7.081 8.922 ( 0.000 6.283 -1.342) 6.425 8.958 ( 0.000 -12.028 9.122) 15.096 9.117 ( 0.000 -10.203 -7.980) 12.953 9.346 ( 0.000 -1.497 -0.276) 1.522 9.353 ( 0.000 -2.636 -0.848) 2.769 9.651 ( 0.000 0.800 10.540) 10.570 9.865 ( 0.000 1.358 -12.146) 12.222 10.526 ( 0.000 0.035 0.878) 0.879 10.538 ( 0.000 1.740 -0.381) 1.782 10.833 ( 0.000 -6.523 4.429) 7.884 10.915 ( 0.000 -6.526 -4.215) 7.769 10.973 ( 0.000 -2.529 8.560) 8.925 11.118 ( 0.000 -3.390 -6.881) 7.671 12.481 ( 0.000 -3.965 12.200) 12.828 12.697 ( 0.000 2.032 -12.281) 12.448 12.977 ( 0.000 -1.807 4.235) 4.605 13.056 ( 0.000 -0.827 -4.206) 4.287 13.606 ( 0.000 13.151 8.428) 15.620 13.764 ( 0.000 13.456 -8.462) 15.895 14.740 ( 0.000 -5.397 9.396) 10.836 14.920 ( 0.000 -5.223 -8.370) 9.866 15.084 ( 0.000 3.115 2.210) 3.819 15.170 ( 0.000 2.125 -6.118) 6.476 15.650 ( 0.000 -14.146 7.523) 16.022 15.758 ( 0.000 -9.073 -4.889) 10.306 16.050 ( 0.000 2.810 3.662) 4.616 16.110 ( 0.000 5.380 -2.840) 6.084 16.439 ( 0.000 -1.573 12.728) 12.825 16.650 ( 0.000 -1.696 -10.061) 10.203 24.270 ( 0.000 -0.254 4.413) 4.420 24.356 ( 0.000 -0.889 -4.732) 4.815 24.412 ( 0.000 -0.897 0.896) 1.268 24.431 ( 0.000 -1.197 -1.034) 1.581 24.964 ( 0.000 2.981 13.451) 13.778 25.034 ( 0.000 1.219 9.803) 9.878 25.216 ( 0.000 2.437 -9.662) 9.965 25.216 ( 0.000 11.466 -15.269) 19.095 26.972 ( 0.000 -1.600 5.279) 5.517 26.991 ( 0.000 -5.152 2.062) 5.549 27.031 ( 0.000 -4.426 -2.158) 4.924 27.074 ( 0.000 -2.158 -5.565) 5.969 27.309 ( 0.000 7.103 3.680) 8.000 27.373 ( 0.000 8.341 -3.222) 8.941 27.852 ( 0.000 -10.923 15.655) 19.089 28.101 ( 0.000 -5.162 -12.304) 13.343 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 2.239 10.374 12.811) 16.636 1.379 ( 3.014 15.776 10.820) 19.366 1.459 ( 0.096 7.299 3.620) 8.148 1.696 ( 9.341 9.758 1.976) 13.652 1.737 ( 2.632 4.053 0.547) 4.863 1.766 ( 4.836 6.609 -6.321) 10.346 1.823 ( 6.141 1.074 -4.569) 7.730 1.905 ( 4.366 8.616 -10.432) 14.217 2.397 ( 5.902 10.862 22.786) 25.923 2.686 ( -1.325 -2.526 -9.831) 10.237 2.808 ( 1.402 4.054 5.796) 7.211 2.954 ( -0.066 2.351 -6.785) 7.181 3.040 ( 2.253 -3.409 5.084) 6.523 3.165 ( 11.519 1.608 0.933) 11.669 3.212 ( 5.478 -5.069 -6.494) 9.893 3.291 ( 8.824 4.569 -7.130) 12.230 3.394 ( 3.559 -2.808 -0.394) 4.550 3.458 ( 2.007 -2.498 -4.476) 5.505 3.618 ( 1.465 -4.455 7.554) 8.892 3.700 ( 1.193 -1.651 -2.300) 3.073 3.736 ( -2.025 0.635 6.182) 6.536 3.869 ( 5.071 -1.137 -0.323) 5.207 4.004 ( 3.455 -2.307 -2.991) 5.119 4.050 ( 8.835 -1.157 -3.987) 9.761 4.193 ( 0.056 -8.229 7.579) 11.187 4.275 ( 1.956 -4.021 -0.206) 4.476 4.369 ( 3.979 -0.239 7.806) 8.765 4.412 ( 0.862 1.134 5.809) 5.981 4.470 ( 0.488 1.572 -0.457) 1.708 4.547 ( 1.924 3.331 -2.819) 4.769 4.704 ( 6.509 0.923 4.129) 7.763 4.794 ( 3.929 -1.702 4.697) 6.356 4.858 ( 3.202 -3.574 -6.408) 8.005 4.934 ( 2.035 0.176 -13.553) 13.706 5.175 ( 1.808 0.995 0.805) 2.215 5.228 ( 0.891 -1.546 -4.243) 4.603 6.671 ( -6.872 7.942 10.109) 14.577 6.810 ( -0.800 1.387 7.061) 7.241 6.866 ( -8.169 11.557 -10.301) 17.504 6.940 ( -0.480 0.543 -6.209) 6.252 7.190 ( 3.031 2.701 6.272) 7.471 7.321 ( 2.984 4.106 -7.747) 9.262 7.564 ( 0.409 -0.034 3.220) 3.246 7.625 ( -0.285 0.308 -3.161) 3.189 7.820 ( -0.427 -0.606 1.790) 1.937 7.850 ( -0.835 -1.172 -1.341) 1.967 7.921 ( -8.116 -2.547 3.144) 9.069 7.953 ( -10.633 -0.945 -0.323) 10.679 8.529 ( 4.914 -6.046 6.776) 10.325 8.634 ( 7.864 -4.516 -3.608) 9.760 8.845 ( -1.336 7.015 4.155) 8.262 8.880 ( -1.434 5.308 -0.065) 5.499 9.096 ( 5.373 -9.970 4.614) 12.230 9.257 ( 6.159 -11.892 -9.702) 16.537 9.329 ( -0.526 -4.419 -0.195) 4.455 9.340 ( 0.575 0.273 -3.575) 3.631 9.693 ( 3.923 1.381 10.157) 10.976 9.900 ( 3.621 1.939 -11.767) 12.464 10.504 ( -2.264 0.599 1.139) 2.605 10.523 ( -1.417 2.219 -0.991) 2.813 10.843 ( 0.643 -8.130 4.356) 9.246 10.883 ( -6.614 -3.751 5.255) 9.243 10.945 ( 0.964 -6.512 -1.711) 6.801 11.037 ( -7.391 -2.956 -6.446) 10.243 12.387 ( -7.650 -0.990 9.987) 12.619 12.547 ( -10.984 3.442 -7.894) 13.957 13.016 ( 1.221 -3.589 4.967) 6.249 13.103 ( 2.992 -2.776 -4.360) 5.972 13.456 ( -11.707 12.659 8.878) 19.393 13.629 ( -9.364 14.045 -10.003) 19.622 14.610 ( -11.111 -4.840 10.012) 15.720 14.818 ( -10.355 -4.950 -12.245) 16.783 15.195 ( 10.818 2.541 6.596) 12.923 15.303 ( 10.154 2.098 -3.751) 11.026 15.697 ( 1.918 -8.814 3.858) 9.810 15.787 ( -1.122 -4.631 -5.588) 7.344 16.163 ( 11.483 0.239 2.988) 11.868 16.215 ( 11.477 1.756 -2.560) 11.890 16.450 ( 0.849 -1.903 12.326) 12.501 16.657 ( 0.487 -1.896 -9.922) 10.113 24.269 ( -0.129 -0.172 4.261) 4.267 24.351 ( -0.454 -0.648 -4.444) 4.514 24.414 ( 0.203 -0.985 1.039) 1.445 24.437 ( 0.656 -1.060 -1.367) 1.850 24.909 ( -4.499 3.825 12.342) 13.682 25.028 ( -0.784 1.315 8.636) 8.771 25.126 ( -6.049 8.921 -9.335) 14.259 25.224 ( -0.614 2.945 -10.185) 10.620 26.835 ( -6.667 -0.658 3.225) 7.435 26.895 ( -6.416 -0.502 -3.169) 7.173 27.039 ( -0.100 -3.543 2.831) 4.537 27.094 ( -0.678 -1.925 -2.975) 3.608 27.430 ( 8.290 3.212 5.411) 10.407 27.485 ( 4.950 3.488 1.448) 6.227 27.900 ( 3.499 -9.635 5.327) 11.552 28.076 ( 0.438 -3.813 -12.655) 13.224 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -1.506 7.229 2.322) 7.740 1.295 ( -6.156 6.734 -3.048) 9.620 1.619 ( 10.880 7.337 13.681) 18.958 1.787 ( 3.786 5.395 2.153) 6.933 1.837 ( 3.652 3.643 -1.566) 5.391 1.914 ( 8.173 10.550 1.897) 13.480 1.945 ( 6.457 7.086 -0.583) 9.604 2.030 ( 6.515 6.793 -3.104) 9.911 2.472 ( 0.312 -1.158 9.421) 9.497 2.677 ( -0.970 -3.501 -11.924) 12.465 2.776 ( -3.511 3.283 6.165) 7.818 2.921 ( -2.577 2.585 -9.447) 10.128 3.171 ( 7.760 -1.586 13.282) 15.464 3.318 ( 1.584 -4.108 3.767) 5.795 3.336 ( 3.361 1.754 0.745) 3.864 3.439 ( -1.012 0.055 -7.041) 7.113 3.516 ( 4.143 3.204 -0.185) 5.240 3.574 ( 11.232 2.757 -6.856) 13.445 3.691 ( 7.005 -4.106 3.197) 8.727 3.743 ( 3.826 -1.047 -1.910) 4.402 3.821 ( 12.829 -4.046 7.225) 15.269 3.944 ( 1.544 -4.698 0.216) 4.950 4.025 ( 2.678 0.139 0.937) 2.841 4.133 ( 4.437 1.678 -6.905) 8.378 4.170 ( -1.938 0.501 9.039) 9.258 4.341 ( -0.895 1.429 -8.048) 8.223 4.438 ( 3.083 1.811 2.002) 4.098 4.477 ( 1.564 1.558 -2.851) 3.606 4.608 ( 15.691 -3.476 6.522) 17.344 4.681 ( 10.174 -2.174 -0.880) 10.441 4.873 ( 4.701 0.106 8.151) 9.410 4.908 ( 9.919 2.732 5.657) 11.741 4.971 ( 6.944 -4.053 -2.887) 8.543 5.076 ( 9.788 0.563 -9.189) 13.438 5.271 ( 10.733 1.510 -4.170) 11.613 5.305 ( 9.576 0.271 -6.790) 11.742 6.552 ( -4.138 4.976 8.875) 10.984 6.716 ( -5.211 6.242 -8.304) 11.622 6.793 ( -1.300 1.513 7.260) 7.529 6.925 ( -0.985 0.031 -6.492) 6.567 7.235 ( 1.065 2.687 6.273) 6.907 7.365 ( 1.049 3.582 -7.572) 8.442 7.564 ( -0.586 0.975 2.275) 2.543 7.606 ( -1.723 1.646 -2.083) 3.165 7.756 ( -5.508 -1.357 1.661) 5.911 7.771 ( -5.371 -1.167 0.112) 5.497 7.845 ( -0.325 -1.279 0.594) 1.447 7.853 ( -0.462 -2.091 -0.317) 2.164 8.582 ( 0.168 -5.941 8.541) 10.405 8.712 ( -0.480 -3.433 -5.366) 6.389 8.846 ( 0.348 5.496 3.466) 6.507 8.872 ( 1.122 1.875 0.770) 2.317 9.123 ( -3.036 -10.506 5.581) 12.278 9.221 ( -4.332 -3.970 -1.045) 5.968 9.326 ( -0.647 -4.682 -2.051) 5.153 9.383 ( -0.310 -3.108 -9.474) 9.976 9.782 ( 4.013 2.708 10.364) 11.439 9.988 ( 3.986 3.134 -11.546) 12.610 10.448 ( -2.595 0.022 2.239) 3.428 10.491 ( -1.375 0.681 -2.500) 2.933 10.680 ( -11.638 -2.028 6.344) 13.409 10.788 ( -9.790 -4.044 -4.483) 11.502 10.920 ( 0.260 -8.474 2.794) 8.927 10.988 ( 2.263 -9.412 -3.936) 10.450 12.236 ( -6.263 2.236 6.975) 9.637 12.345 ( -8.003 3.042 -5.055) 9.943 12.993 ( -2.743 -3.835 7.662) 8.996 13.121 ( -2.051 -2.843 -5.678) 6.673 13.254 ( -6.404 10.786 9.902) 15.981 13.471 ( -6.332 13.019 -12.902) 19.392 14.386 ( -9.519 -4.420 10.529) 14.866 14.607 ( -8.852 -4.462 -13.172) 16.485 15.401 ( -0.749 1.565 6.303) 6.538 15.416 ( 8.150 2.844 5.487) 10.229 15.677 ( -3.609 0.943 1.645) 4.077 15.808 ( 6.155 -1.149 -10.959) 12.622 16.424 ( 7.205 -2.988 7.859) 11.072 16.451 ( 8.564 -1.924 4.966) 10.085 16.518 ( 11.263 -1.837 -0.742) 11.436 16.662 ( -0.071 -2.081 -9.803) 10.021 24.265 ( -0.221 -0.010 3.881) 3.887 24.341 ( -0.409 -0.203 -4.257) 4.281 24.422 ( 0.514 -1.194 1.726) 2.161 24.457 ( 1.180 -1.011 -1.943) 2.488 24.817 ( -4.106 4.388 11.237) 12.743 24.991 ( -3.022 4.797 -3.744) 6.794 25.032 ( -2.419 2.709 4.309) 5.636 25.194 ( -2.275 1.689 -9.261) 9.685 26.729 ( -3.835 0.264 3.570) 5.247 26.804 ( -2.946 0.495 -4.612) 5.495 27.012 ( -1.996 -3.255 2.731) 4.694 27.065 ( -1.861 -2.098 -2.802) 3.965 27.463 ( -2.395 1.518 9.117) 9.548 27.583 ( 1.782 1.988 -2.592) 3.721 27.920 ( 1.708 -3.665 10.737) 11.473 28.205 ( 8.848 -5.937 -18.573) 21.413 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.258 6.014 1.255) 6.954 1.227 ( -1.147 7.495 -3.192) 8.226 1.793 ( 5.505 0.585 7.439) 9.273 1.877 ( 4.083 3.842 -0.508) 5.630 1.929 ( 4.684 5.213 4.762) 8.473 2.023 ( 2.796 9.340 -4.326) 10.667 2.090 ( 7.089 1.343 5.162) 8.872 2.173 ( 8.270 4.760 -1.712) 9.694 2.440 ( -2.182 -0.792 8.814) 9.114 2.592 ( -5.517 3.486 -3.530) 7.419 2.784 ( 2.743 -0.684 -2.548) 3.806 2.834 ( -6.682 3.366 -4.652) 8.810 3.231 ( -1.369 2.940 10.961) 11.431 3.274 ( -1.436 -4.309 8.977) 10.061 3.363 ( -0.314 2.813 0.003) 2.830 3.419 ( 0.193 -8.057 -7.514) 11.019 3.584 ( -0.515 6.246 -4.886) 7.947 3.624 ( -0.644 1.878 -5.486) 5.835 3.780 ( 1.502 -5.510 2.333) 6.170 3.801 ( 2.782 -5.625 0.200) 6.279 3.942 ( -0.554 -3.675 0.700) 3.782 3.995 ( -0.374 -1.670 -4.948) 5.236 4.125 ( -0.336 4.743 8.645) 9.866 4.238 ( 9.721 2.022 4.941) 11.090 4.300 ( 2.870 1.605 -5.154) 6.114 4.377 ( 8.227 2.046 -4.604) 9.647 4.524 ( 6.504 1.495 1.508) 6.842 4.582 ( 11.229 0.256 -5.338) 12.436 4.808 ( 2.581 -2.911 4.908) 6.263 4.841 ( 2.383 -3.233 1.590) 4.320 4.951 ( 2.447 0.118 7.107) 7.517 5.034 ( 2.140 1.085 -2.615) 3.549 5.152 ( 14.845 2.388 9.543) 17.809 5.322 ( 15.476 1.888 -9.305) 18.157 5.577 ( 13.523 1.919 -5.588) 14.758 5.597 ( 13.251 2.519 -7.663) 15.513 6.509 ( -0.451 2.223 8.010) 8.325 6.656 ( -0.969 2.721 -7.356) 7.903 6.766 ( -1.296 0.888 7.636) 7.796 6.904 ( -0.944 -0.389 -6.872) 6.947 7.236 ( -0.584 2.168 6.434) 6.815 7.368 ( -0.344 2.459 -7.563) 7.960 7.545 ( -0.746 1.211 1.098) 1.797 7.567 ( -1.350 1.717 -1.189) 2.487 7.680 ( -1.794 -0.859 1.300) 2.376 7.693 ( -1.916 -0.245 0.051) 1.932 7.837 ( -1.538 -2.809 0.809) 3.303 7.841 ( -0.682 -2.536 0.385) 2.654 8.537 ( -4.224 -4.925 7.560) 9.963 8.656 ( -4.353 -0.980 -5.130) 6.799 8.842 ( -0.088 1.875 4.230) 4.628 8.896 ( 0.454 -4.314 0.953) 4.441 9.004 ( -6.551 -9.387 1.885) 11.602 9.109 ( -7.584 -7.416 -6.543) 12.463 9.269 ( -1.883 2.856 5.814) 6.746 9.408 ( 2.328 4.378 -7.955) 9.373 9.841 ( 1.775 3.214 10.578) 11.198 10.047 ( 1.917 3.760 -11.296) 12.058 10.405 ( -2.688 -1.249 5.035) 5.842 10.467 ( -5.438 -1.830 3.155) 6.548 10.476 ( -1.777 -1.923 -2.409) 3.557 10.580 ( -8.505 -1.661 -6.485) 10.824 10.951 ( 1.531 -11.312 4.658) 12.329 11.025 ( 1.189 -10.355 -3.318) 10.939 12.147 ( -2.605 2.266 4.828) 5.936 12.231 ( -3.448 1.556 -4.189) 5.644 12.945 ( -1.443 -3.663 9.128) 9.941 13.066 ( -1.494 6.224 2.189) 6.765 13.171 ( -3.359 1.527 0.697) 3.755 13.355 ( -4.999 12.635 -12.970) 18.785 14.246 ( -4.365 -4.104 11.096) 12.610 14.480 ( -3.803 -4.267 -14.054) 15.172 15.348 ( -2.815 2.368 6.746) 7.684 15.451 ( -2.768 4.866 -4.146) 6.967 15.691 ( 3.699 1.428 13.167) 13.751 15.932 ( 4.654 1.288 -11.875) 12.820 16.442 ( -0.114 -1.616 11.868) 11.978 16.642 ( 3.030 -2.594 -5.548) 6.833 16.671 ( 4.051 -2.850 -1.080) 5.069 16.729 ( 7.556 -2.702 -3.584) 8.789 24.261 ( -0.159 0.094 3.576) 3.580 24.336 ( -0.105 0.025 -4.504) 4.505 24.432 ( 0.453 -1.374 2.527) 2.912 24.479 ( 0.869 -1.076 -2.282) 2.668 24.753 ( -2.096 4.185 10.608) 11.594 24.941 ( -1.488 4.944 -8.987) 10.365 25.001 ( -0.975 0.439 7.514) 7.590 25.142 ( -2.403 1.003 -7.465) 7.906 26.674 ( -1.783 0.445 4.142) 4.531 26.762 ( -1.409 0.571 -5.472) 5.679 26.973 ( -1.555 -3.311 2.968) 4.710 27.029 ( -1.433 -2.461 -2.966) 4.112 27.414 ( -1.927 2.957 8.648) 9.341 27.553 ( -2.578 2.804 -6.424) 7.468 27.994 ( 3.820 -2.582 17.698) 18.289 28.350 ( 4.911 -6.483 -20.141) 21.722 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 5.839 2.468) 6.339 1.216 ( -0.000 8.327 -4.091) 9.278 1.852 ( 0.000 -1.578 6.819) 6.999 1.942 ( 0.000 -2.040 -2.417) 3.163 1.951 ( -0.000 8.651 5.188) 10.087 2.045 ( -0.000 8.445 -4.697) 9.663 2.196 ( -0.000 -7.279 4.177) 8.393 2.288 ( -0.000 -2.795 -4.550) 5.340 2.399 ( -0.000 12.087 10.847) 16.241 2.556 ( -0.000 11.920 -5.168) 12.992 2.697 ( 0.000 0.647 7.691) 7.719 2.830 ( 0.000 -2.717 -5.589) 6.214 3.195 ( 0.000 6.810 13.652) 15.257 3.284 ( -0.000 -9.349 4.867) 10.540 3.350 ( 0.000 5.187 -1.548) 5.413 3.429 ( 0.000 -10.794 -9.339) 14.274 3.541 ( 0.000 2.962 -1.506) 3.323 3.627 ( 0.000 9.352 -8.839) 12.868 3.797 ( 0.000 -6.714 2.873) 7.303 3.833 ( 0.000 -7.229 -0.829) 7.277 3.931 ( 0.000 -2.816 0.749) 2.914 3.987 ( 0.000 -1.737 -5.845) 6.098 4.117 ( 0.000 3.757 7.619) 8.494 4.252 ( 0.000 6.566 -6.022) 8.909 4.389 ( 0.000 0.832 3.377) 3.477 4.443 ( 0.000 3.131 -1.965) 3.697 4.683 ( 0.000 -5.360 5.610) 7.759 4.747 ( -0.000 -6.816 0.258) 6.821 4.755 ( 0.000 0.759 4.044) 4.115 4.849 ( 0.000 0.210 -5.758) 5.762 4.976 ( 0.000 0.891 7.018) 7.074 5.048 ( -0.000 2.207 -1.872) 2.894 5.373 ( 0.000 3.359 10.667) 11.183 5.577 ( -0.000 3.229 -11.027) 11.490 5.664 ( 0.000 3.565 -3.748) 5.172 5.720 ( 0.000 4.292 -9.053) 10.019 6.509 ( 0.000 1.062 7.800) 7.872 6.652 ( 0.000 1.606 -7.267) 7.442 6.749 ( 0.000 0.315 8.127) 8.133 6.893 ( 0.000 -0.578 -7.183) 7.206 7.228 ( 0.000 1.830 6.748) 6.992 7.365 ( 0.000 2.079 -7.819) 8.091 7.542 ( 0.000 -0.389 0.510) 0.641 7.559 ( 0.000 -0.255 -1.197) 1.224 7.673 ( 0.000 0.650 0.898) 1.109 7.686 ( 0.000 1.381 -0.323) 1.419 7.805 ( 0.000 -3.303 2.789) 4.322 7.823 ( 0.000 -3.193 0.822) 3.297 8.472 ( 0.000 -5.858 6.724) 8.918 8.590 ( 0.000 -2.446 -5.838) 6.329 8.856 ( -0.000 4.479 6.407) 7.817 8.873 ( 0.000 -10.864 4.949) 11.938 8.957 ( 0.000 -9.671 -4.061) 10.489 8.994 ( 0.000 -0.624 -8.313) 8.337 9.261 ( 0.000 6.247 9.380) 11.269 9.437 ( 0.000 4.184 -9.237) 10.141 9.857 ( 0.000 2.981 10.623) 11.034 10.065 ( 0.000 3.713 -11.436) 12.023 10.348 ( 0.000 -0.308 7.666) 7.672 10.425 ( 0.000 -3.117 1.973) 3.688 10.476 ( 0.000 -3.069 -3.476) 4.637 10.485 ( 0.000 -0.983 -6.889) 6.959 10.967 ( 0.000 -11.876 4.617) 12.742 11.036 ( 0.000 -10.523 -2.750) 10.877 12.122 ( 0.000 1.775 4.073) 4.442 12.197 ( 0.000 0.815 -3.961) 4.044 12.933 ( 0.000 -4.568 10.464) 11.418 13.064 ( 0.000 13.672 11.649) 17.962 13.124 ( 0.000 -5.899 -9.838) 11.471 13.296 ( 0.000 13.814 -13.138) 19.064 14.203 ( 0.000 -3.979 11.372) 12.048 14.443 ( 0.000 -4.217 -14.449) 15.052 15.316 ( 0.000 2.760 5.960) 6.568 15.414 ( 0.000 5.622 -4.508) 7.206 15.735 ( 0.000 1.249 14.325) 14.379 15.980 ( 0.000 1.762 -11.234) 11.372 16.440 ( 0.000 -1.233 11.472) 11.538 16.647 ( 0.000 -1.991 -10.246) 10.437 16.737 ( 0.000 -3.563 3.682) 5.123 16.807 ( 0.000 -2.803 -3.683) 4.628 24.259 ( -0.000 0.122 3.488) 3.490 24.335 ( -0.000 0.074 -4.701) 4.701 24.437 ( 0.000 -1.428 2.855) 3.192 24.488 ( -0.000 -1.107 -2.401) 2.644 24.732 ( 0.000 4.055 10.492) 11.248 24.928 ( 0.000 4.525 -10.155) 11.118 24.991 ( 0.000 0.176 7.115) 7.117 25.114 ( -0.000 0.729 -6.127) 6.170 26.656 ( 0.000 0.462 4.324) 4.348 26.747 ( 0.000 0.561 -5.642) 5.670 26.957 ( -0.000 -3.294 3.040) 4.482 27.014 ( 0.000 -2.570 -3.028) 3.971 27.394 ( 0.000 3.521 8.031) 8.769 27.524 ( 0.000 3.536 -6.031) 6.991 28.036 ( 0.000 -2.699 18.446) 18.643 28.399 ( 0.000 -6.603 -20.202) 21.254 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 17.442 15.888) 23.594 1.550 ( 0.000 2.839 17.270) 17.502 1.680 ( 0.000 -1.721 2.310) 2.880 1.753 ( 0.000 5.644 -3.549) 6.668 1.763 ( 0.000 2.790 -4.086) 4.948 1.883 ( 0.000 19.645 -1.194) 19.681 1.923 ( 0.000 11.557 -17.905) 21.311 1.999 ( 0.000 16.093 -13.989) 21.324 2.681 ( 0.000 11.752 11.029) 16.117 2.777 ( 0.000 -3.565 -0.291) 3.577 2.821 ( 0.000 -1.396 3.681) 3.937 2.897 ( 0.000 -3.334 -4.502) 5.603 2.925 ( 0.000 1.886 -1.241) 2.258 2.994 ( 0.000 -8.054 -8.194) 11.489 3.145 ( 0.000 12.539 13.788) 18.637 3.231 ( 0.000 -6.546 4.847) 8.145 3.297 ( 0.000 -9.853 -2.384) 10.137 3.370 ( 0.000 5.563 -5.811) 8.045 3.502 ( 0.000 -3.966 10.440) 11.168 3.654 ( 0.000 -2.277 -5.157) 5.637 3.768 ( 0.000 2.308 -2.001) 3.055 3.816 ( 0.000 -2.888 -3.952) 4.895 3.860 ( 0.000 0.818 1.582) 1.781 3.929 ( 0.000 -1.919 -5.812) 6.120 4.093 ( 0.000 -0.874 8.293) 8.339 4.220 ( 0.000 -0.110 -5.113) 5.114 4.306 ( 0.000 -0.061 10.181) 10.181 4.410 ( 0.000 0.259 16.474) 16.476 4.482 ( 0.000 -1.707 -6.687) 6.901 4.607 ( 0.000 3.061 -4.206) 5.202 4.671 ( 0.000 -2.915 0.397) 2.942 4.720 ( 0.000 -5.201 -3.015) 6.012 4.727 ( 0.000 4.403 5.735) 7.230 4.946 ( 0.000 1.146 -16.654) 16.693 5.146 ( 0.000 -4.001 2.366) 4.648 5.165 ( 0.000 -2.023 0.689) 2.137 6.861 ( 0.000 3.534 6.036) 6.995 6.952 ( 0.000 6.739 14.430) 15.926 6.969 ( 0.000 3.208 -5.380) 6.263 7.196 ( 0.000 5.400 -11.024) 12.276 7.198 ( 0.000 2.791 6.915) 7.457 7.351 ( 0.000 3.690 -9.348) 10.050 7.509 ( 0.000 -5.228 3.778) 6.450 7.596 ( 0.000 -3.435 -5.634) 6.598 7.844 ( 0.000 1.306 0.761) 1.511 7.855 ( 0.000 0.550 -0.253) 0.605 7.938 ( 0.000 -3.861 6.017) 7.149 8.063 ( 0.000 -4.370 -8.309) 9.388 8.404 ( 0.000 -0.757 3.065) 3.158 8.464 ( 0.000 -0.837 -3.348) 3.451 8.706 ( 0.000 -11.969 8.214) 14.516 8.831 ( 0.000 -15.027 -5.155) 15.886 9.074 ( 0.000 11.022 1.043) 11.072 9.094 ( 0.000 10.309 -1.169) 10.375 9.311 ( 0.000 -0.149 2.253) 2.258 9.378 ( 0.000 1.891 -5.430) 5.749 9.677 ( 0.000 2.157 11.583) 11.782 9.906 ( 0.000 2.933 -12.725) 13.059 10.394 ( 0.000 -13.600 5.609) 14.711 10.488 ( 0.000 -8.842 -4.298) 9.831 10.753 ( 0.000 -0.505 2.918) 2.961 10.798 ( 0.000 -2.336 -2.129) 3.160 10.907 ( 0.000 -3.794 7.481) 8.387 11.027 ( 0.000 -5.335 -5.429) 7.611 12.499 ( 0.000 5.209 13.496) 14.467 12.754 ( 0.000 4.209 -14.366) 14.970 12.918 ( 0.000 -4.202 5.639) 7.032 13.026 ( 0.000 -2.361 -5.820) 6.281 13.886 ( 0.000 13.974 9.939) 17.149 14.069 ( 0.000 15.531 -9.870) 18.402 14.594 ( 0.000 -8.929 9.747) 13.218 14.787 ( 0.000 -8.061 -10.478) 13.220 15.144 ( 0.000 2.811 3.742) 4.680 15.231 ( 0.000 3.934 -5.213) 6.530 15.407 ( 0.000 -9.384 10.771) 14.286 15.577 ( 0.000 -8.231 -8.012) 11.487 16.117 ( 0.000 4.006 6.235) 7.411 16.229 ( 0.000 6.565 -5.729) 8.714 16.390 ( 0.000 -3.323 12.168) 12.614 16.596 ( 0.000 -3.784 -9.973) 10.666 24.271 ( 0.000 0.533 3.614) 3.653 24.341 ( 0.000 -0.325 -3.885) 3.899 24.382 ( 0.000 -2.034 1.168) 2.346 24.404 ( 0.000 -1.458 -1.227) 1.906 25.044 ( 0.000 3.783 17.739) 18.138 25.064 ( 0.000 1.614 11.531) 11.644 25.280 ( 0.000 3.743 -11.558) 12.149 25.384 ( 0.000 4.679 -19.500) 20.053 26.907 ( 0.000 -3.105 2.937) 4.274 26.928 ( 0.000 -2.527 5.061) 5.657 26.961 ( 0.000 -2.298 -2.852) 3.663 27.021 ( 0.000 -2.857 -4.904) 5.675 27.447 ( 0.000 6.256 5.502) 8.331 27.546 ( 0.000 8.442 -5.010) 9.817 27.683 ( 0.000 -5.550 16.934) 17.820 27.966 ( 0.000 -7.185 -13.843) 15.597 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -2.214 8.624 9.931) 13.338 1.621 ( -7.826 7.133 -6.626) 12.491 1.644 ( 4.034 6.022 8.557) 11.214 1.749 ( 3.379 -1.057 0.438) 3.567 1.817 ( 5.465 7.066 4.650) 10.071 1.963 ( 8.718 16.862 2.159) 19.105 2.053 ( 4.758 15.238 -10.544) 19.132 2.085 ( 8.800 9.136 -12.905) 18.095 2.617 ( -4.420 8.730 7.628) 12.407 2.704 ( -3.223 -0.116 -3.111) 4.481 2.870 ( -2.345 -2.724 3.255) 4.849 2.923 ( 4.093 -3.512 4.041) 6.738 2.964 ( 2.362 -2.477 -3.489) 4.888 3.043 ( 4.132 -9.098 -5.455) 11.385 3.265 ( 10.387 7.312 7.684) 14.846 3.328 ( 10.601 1.364 4.717) 11.684 3.359 ( 7.648 -5.137 -1.460) 9.328 3.449 ( 8.889 3.189 -1.163) 9.515 3.551 ( 2.923 -1.375 5.301) 6.208 3.653 ( 1.060 -1.690 -4.177) 4.629 3.758 ( -3.080 1.786 0.030) 3.560 3.829 ( -0.334 -1.901 -4.861) 5.230 3.957 ( 5.362 -1.565 -0.396) 5.599 3.974 ( 7.886 -4.323 0.583) 9.012 4.135 ( 4.696 1.218 6.130) 7.817 4.256 ( 4.383 2.534 -4.978) 7.100 4.371 ( 4.560 0.331 8.711) 9.838 4.439 ( 3.407 0.947 11.633) 12.159 4.506 ( 0.780 1.450 -4.660) 4.942 4.611 ( 0.764 2.797 -4.111) 5.031 4.656 ( 3.919 -4.750 3.921) 7.300 4.763 ( 4.166 -5.479 -5.607) 8.878 4.812 ( 4.873 3.015 2.478) 6.243 4.945 ( 2.293 1.274 -10.751) 11.066 5.171 ( 2.481 -3.599 0.266) 4.379 5.179 ( 1.721 -1.842 -0.250) 2.533 6.815 ( -6.518 5.235 10.279) 13.249 6.861 ( -3.611 3.516 7.161) 8.757 6.961 ( -1.559 2.647 -5.243) 6.077 7.060 ( -9.989 5.893 -10.488) 15.637 7.257 ( 3.714 3.631 7.299) 8.959 7.404 ( 3.163 3.256 -7.688) 8.929 7.533 ( 1.732 -3.412 2.516) 4.580 7.603 ( 0.626 -2.989 -4.571) 5.497 7.819 ( -2.302 0.484 0.881) 2.512 7.833 ( -1.992 -0.094 -0.512) 2.059 7.875 ( -4.781 -1.369 3.793) 6.255 7.940 ( -7.941 0.047 -3.585) 8.713 8.434 ( 2.106 -3.012 5.395) 6.528 8.536 ( 4.589 -4.428 -5.157) 8.202 8.764 ( 3.254 -13.527 5.147) 14.835 8.844 ( 0.216 -14.734 -3.115) 15.061 9.079 ( 0.252 11.373 2.553) 11.659 9.139 ( 3.135 7.935 -3.911) 9.385 9.320 ( 0.928 1.928 3.329) 3.957 9.403 ( 2.208 2.963 -6.017) 7.061 9.714 ( 3.459 0.996 11.168) 11.734 9.933 ( 2.755 1.759 -12.034) 12.470 10.395 ( -0.263 -13.143 5.387) 14.207 10.490 ( -0.253 -8.431 -4.723) 9.667 10.718 ( -3.085 -2.017 2.938) 4.714 10.757 ( -3.902 -4.156 -0.956) 5.781 10.850 ( -5.055 -3.527 5.763) 8.438 10.957 ( -6.621 -4.736 -5.241) 9.682 12.446 ( -4.630 6.488 11.141) 13.699 12.646 ( -8.551 6.397 -10.414) 14.916 12.924 ( -0.598 -5.599 5.483) 7.859 13.033 ( 0.077 -4.283 -5.929) 7.314 13.738 ( -11.270 14.550 10.110) 20.998 13.935 ( -9.769 15.379 -11.177) 21.375 14.471 ( -10.460 -8.802 10.205) 17.060 14.679 ( -9.813 -8.695 -12.161) 17.883 15.257 ( 10.719 3.399 7.318) 13.417 15.358 ( 8.908 2.965 -0.438) 9.399 15.538 ( 10.368 -5.895 4.017) 12.585 15.680 ( 5.734 -5.416 -8.727) 11.763 16.184 ( 6.934 1.965 5.278) 8.933 16.278 ( 5.641 4.434 -4.664) 8.558 16.397 ( 0.781 -3.318 11.669) 12.157 16.599 ( 0.228 -3.909 -9.861) 10.610 24.271 ( -0.002 0.576 3.612) 3.657 24.341 ( -0.032 -0.128 -3.825) 3.827 24.383 ( 0.085 -2.053 1.382) 2.477 24.411 ( 0.616 -1.546 -1.640) 2.336 25.001 ( -3.661 4.396 15.644) 16.657 25.055 ( -0.906 1.345 11.324) 11.439 25.253 ( -3.249 4.059 -11.151) 12.303 25.316 ( -5.102 4.655 -15.843) 17.283 26.823 ( -4.817 -0.329 3.588) 6.016 26.884 ( -4.140 -0.492 -2.303) 4.763 26.959 ( -0.396 -3.971 2.650) 4.790 27.030 ( -0.639 -4.077 -4.135) 5.841 27.505 ( 3.462 4.057 6.535) 8.435 27.579 ( 2.741 5.178 2.100) 6.224 27.754 ( 5.697 -4.315 6.448) 9.626 27.970 ( 1.572 -5.931 -13.212) 14.567 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.573 8.889 0.632) 9.050 1.458 ( -7.353 8.632 -3.059) 11.744 1.721 ( 3.798 1.565 4.693) 6.237 1.808 ( 2.618 -2.500 -4.462) 5.745 1.955 ( 7.082 9.818 10.377) 15.944 2.119 ( 4.302 11.477 3.744) 12.816 2.153 ( 4.789 11.005 -7.475) 14.139 2.201 ( 3.285 7.090 -7.001) 10.491 2.536 ( -2.656 6.033 8.407) 10.683 2.661 ( -0.894 -1.423 -5.968) 6.200 2.812 ( -2.397 2.202 7.165) 7.870 2.957 ( 0.965 -1.102 -5.775) 5.958 3.036 ( 2.247 -9.331 1.824) 9.770 3.113 ( 2.568 -8.288 -5.037) 10.033 3.435 ( 4.648 3.101 5.178) 7.618 3.491 ( -0.508 2.639 1.024) 2.875 3.554 ( 3.068 -3.585 5.436) 7.198 3.610 ( 7.686 0.147 3.062) 8.274 3.685 ( 4.301 -3.441 1.890) 5.823 3.727 ( 4.526 9.447 -5.987) 12.065 3.781 ( 12.053 0.264 0.570) 12.070 3.820 ( 4.361 -3.883 -4.583) 7.423 4.051 ( 6.331 0.854 3.183) 7.138 4.114 ( 4.973 -2.449 -0.124) 5.544 4.226 ( 2.727 4.419 6.779) 8.539 4.399 ( 6.116 4.630 -9.002) 11.827 4.484 ( 3.557 1.821 1.846) 4.402 4.512 ( 3.481 3.159 -1.453) 4.920 4.580 ( 11.700 0.142 6.821) 13.544 4.678 ( 6.048 1.100 -2.982) 6.832 4.797 ( 6.811 -6.946 4.770) 10.834 4.873 ( 7.113 -5.552 -3.772) 9.780 4.966 ( 10.043 3.632 6.152) 12.324 5.081 ( 10.370 0.180 -5.935) 11.949 5.289 ( 11.519 -0.598 -2.814) 11.873 5.295 ( 12.262 -1.690 -2.758) 12.682 6.667 ( -6.311 5.773 9.589) 12.849 6.801 ( -3.548 1.661 2.797) 4.814 6.863 ( -7.031 4.804 -6.411) 10.659 6.929 ( -2.401 0.377 -6.000) 6.474 7.310 ( 1.325 4.617 6.659) 8.211 7.446 ( 0.731 3.861 -7.467) 8.439 7.557 ( 0.306 -2.069 2.332) 3.132 7.605 ( -0.898 -2.091 -2.642) 3.487 7.752 ( -4.325 0.186 0.892) 4.420 7.765 ( -4.460 0.307 -0.109) 4.472 7.807 ( -1.689 -1.474 1.099) 2.496 7.830 ( -2.501 1.072 -1.415) 3.067 8.463 ( 0.017 -4.809 7.316) 8.756 8.592 ( 0.460 -6.844 -5.977) 9.098 8.774 ( -2.611 -13.692 2.311) 14.129 8.817 ( -2.767 -13.658 -2.122) 14.096 9.078 ( -0.477 12.446 4.407) 13.212 9.166 ( -0.488 8.042 -5.049) 9.508 9.346 ( 1.383 4.653 5.254) 7.153 9.455 ( 2.675 4.463 -6.358) 8.216 9.797 ( 4.010 -1.075 10.970) 11.730 10.006 ( 3.823 -0.740 -11.155) 11.815 10.370 ( -2.159 -11.037 4.296) 12.039 10.454 ( -3.247 -7.105 -4.658) 9.095 10.622 ( -8.925 -2.605 4.598) 10.373 10.658 ( -3.400 -5.754 1.114) 6.776 10.764 ( -2.430 -8.204 -0.748) 8.589 10.791 ( -8.012 -5.016 -3.391) 10.042 12.342 ( -5.045 8.059 7.274) 11.971 12.469 ( -7.994 8.675 -6.442) 13.441 12.884 ( -2.898 -6.859 7.071) 10.268 13.014 ( -1.822 -6.967 -6.754) 9.873 13.532 ( -8.197 14.896 11.101) 20.306 13.759 ( -7.170 14.773 -13.272) 21.114 14.259 ( -9.028 -8.138 10.596) 16.125 14.480 ( -8.431 -8.138 -13.085) 17.565 15.446 ( 0.391 2.844 9.935) 10.342 15.485 ( 9.537 3.499 8.055) 12.964 15.705 ( 0.103 1.782 -4.490) 4.832 15.787 ( 10.067 -0.864 -10.652) 14.682 16.366 ( 7.131 -2.382 7.666) 10.737 16.408 ( 5.330 -2.206 6.332) 8.566 16.478 ( 9.674 -1.730 -2.541) 10.150 16.602 ( 0.030 -3.770 -9.463) 10.187 24.271 ( -0.058 0.706 3.564) 3.634 24.341 ( 0.001 0.293 -3.921) 3.932 24.387 ( 0.307 -2.170 2.006) 2.971 24.428 ( 0.993 -1.806 -2.384) 3.151 24.919 ( -3.977 5.104 12.982) 14.505 25.030 ( -1.434 0.769 9.730) 9.865 25.145 ( -5.798 5.835 -10.111) 13.034 25.234 ( -3.549 1.981 -11.108) 11.828 26.739 ( -3.363 0.780 3.971) 5.262 26.815 ( -2.595 0.605 -3.984) 4.793 26.928 ( -2.206 -4.720 3.105) 6.065 26.998 ( -2.104 -4.371 -3.939) 6.249 27.522 ( -0.638 4.377 8.840) 9.885 27.647 ( 1.848 4.466 -2.988) 5.682 27.841 ( 3.721 -3.876 8.556) 10.103 28.069 ( 6.869 -7.181 -13.932) 17.113 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -3.502 9.401 0.792) 10.063 1.405 ( -0.418 9.255 -5.498) 10.773 1.783 ( 1.930 -2.019 3.187) 4.238 1.849 ( 1.239 -4.892 -4.052) 6.472 2.074 ( 4.269 5.379 8.636) 11.034 2.151 ( -0.071 8.707 4.022) 9.592 2.219 ( 1.483 9.568 -4.754) 10.787 2.246 ( 1.453 2.969 -6.660) 7.436 2.558 ( 5.401 6.024 8.972) 12.081 2.687 ( 3.087 0.737 -5.710) 6.533 2.783 ( -0.953 6.236 10.242) 12.029 2.903 ( -6.207 -0.495 1.645) 6.440 3.080 ( 1.869 -10.210 -4.592) 11.350 3.151 ( 1.328 -5.739 -8.959) 10.722 3.364 ( -5.964 3.950 10.668) 12.844 3.481 ( -0.495 4.729 -0.906) 4.840 3.629 ( 2.133 -2.893 2.940) 4.644 3.680 ( -0.106 -2.104 0.288) 2.127 3.710 ( 1.451 -1.156 0.718) 1.990 3.749 ( 0.444 1.084 -6.147) 6.258 3.856 ( 1.122 -2.763 2.752) 4.058 3.998 ( 1.942 4.268 -10.036) 11.078 4.138 ( 0.928 -2.514 9.009) 9.399 4.280 ( 5.248 -2.190 -5.195) 7.702 4.329 ( 9.407 6.381 8.391) 14.128 4.468 ( 3.642 4.888 -4.574) 7.621 4.555 ( 2.948 1.565 2.059) 3.922 4.599 ( 4.309 1.593 -2.617) 5.288 4.769 ( 2.643 -1.619 1.465) 3.428 4.790 ( 4.524 -2.054 -0.413) 4.985 4.908 ( 3.987 -4.259 5.729) 8.176 4.989 ( 3.764 -4.718 -3.433) 6.944 5.244 ( 17.589 6.617 9.291) 20.963 5.386 ( 19.037 4.648 -6.355) 20.601 5.614 ( 15.859 0.431 -2.085) 16.002 5.634 ( 15.877 0.695 -4.386) 16.486 6.578 ( -2.502 4.364 7.367) 8.920 6.719 ( -3.062 3.020 -5.500) 6.982 6.777 ( -2.802 0.032 3.119) 4.193 6.884 ( -1.902 -1.614 -6.509) 6.970 7.313 ( -0.692 5.352 6.159) 8.188 7.439 ( -0.876 4.301 -7.211) 8.442 7.544 ( -1.311 -1.591 1.628) 2.627 7.571 ( -1.992 -1.457 -1.248) 2.766 7.676 ( -2.262 0.043 1.162) 2.543 7.693 ( -2.026 -0.228 -0.370) 2.072 7.774 ( -2.166 -2.753 1.077) 3.665 7.792 ( -2.298 -1.378 -0.837) 2.808 8.417 ( -4.292 -5.299 7.090) 9.837 8.544 ( -4.973 -7.617 -6.245) 11.033 8.686 ( -4.306 -12.497 3.565) 13.690 8.757 ( -2.320 -12.260 -3.987) 13.099 9.065 ( -0.592 14.200 4.091) 14.789 9.143 ( -1.204 11.471 -4.443) 12.360 9.371 ( 1.024 5.918 7.446) 9.566 9.505 ( 2.072 4.952 -6.703) 8.588 9.855 ( 1.631 -2.147 11.176) 11.497 10.067 ( 2.000 -1.950 -11.151) 11.495 10.329 ( -1.415 -9.518 2.439) 9.927 10.385 ( -2.926 -8.417 -3.765) 9.674 10.441 ( -7.298 0.164 5.941) 9.412 10.549 ( -6.144 -0.840 -5.311) 8.165 10.699 ( -1.070 -10.452 3.052) 10.941 10.751 ( -0.048 -14.117 -2.271) 14.298 12.258 ( -2.933 8.392 4.702) 10.056 12.343 ( -4.267 9.007 -4.302) 10.855 12.829 ( -2.142 -7.509 8.008) 11.185 12.977 ( -1.412 -8.764 -7.749) 11.783 13.409 ( -4.038 15.032 11.548) 19.381 13.643 ( -4.129 14.929 -13.494) 20.543 14.127 ( -4.079 -7.693 11.018) 14.043 14.357 ( -3.692 -7.833 -13.803) 16.294 15.422 ( -1.646 5.069 10.181) 11.491 15.584 ( 0.032 7.814 -5.114) 9.338 15.714 ( 2.339 0.506 11.210) 11.463 15.954 ( 5.534 0.409 -12.292) 13.487 16.409 ( 0.890 -1.186 10.397) 10.502 16.568 ( 6.030 -4.472 2.166) 7.814 16.604 ( 0.631 -3.377 -6.947) 7.750 16.661 ( 6.828 -3.820 -4.436) 8.994 24.269 ( -0.069 0.850 3.512) 3.614 24.341 ( 0.067 0.622 -4.249) 4.294 24.394 ( 0.323 -2.345 2.710) 3.598 24.447 ( 0.758 -2.053 -2.890) 3.625 24.854 ( -2.272 5.236 11.364) 12.717 25.003 ( -1.077 0.116 8.227) 8.299 25.056 ( -2.787 5.263 -9.447) 11.168 25.164 ( -2.971 0.992 -8.526) 9.083 26.688 ( -1.703 1.044 4.355) 4.791 26.776 ( -1.339 0.899 -5.100) 5.349 26.887 ( -1.562 -4.930 3.669) 6.341 26.959 ( -1.498 -4.321 -3.894) 6.007 27.508 ( -0.593 6.349 8.258) 10.433 27.646 ( -0.965 6.414 -6.461) 9.155 27.921 ( 3.360 -4.678 13.320) 14.512 28.186 ( 4.127 -9.240 -14.812) 17.939 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 9.593 2.214) 9.845 1.403 ( -0.000 9.337 -7.425) 11.930 1.800 ( 0.000 -3.787 2.633) 4.613 1.860 ( 0.000 -6.612 -3.894) 7.674 2.121 ( -0.000 1.497 7.753) 7.896 2.144 ( -0.000 9.902 4.442) 10.853 2.229 ( -0.000 9.304 -4.518) 10.343 2.262 ( 0.000 1.347 -6.651) 6.786 2.696 ( -0.000 -1.335 2.752) 3.059 2.740 ( 0.000 20.291 12.377) 23.768 2.754 ( 0.000 -4.580 -3.820) 5.964 2.769 ( 0.000 2.576 8.558) 8.937 3.100 ( 0.000 -11.860 -7.012) 13.778 3.166 ( 0.000 -4.477 -12.271) 13.062 3.296 ( 0.000 4.292 13.528) 14.193 3.470 ( 0.000 4.462 -3.998) 5.991 3.647 ( -0.000 5.495 7.229) 9.080 3.668 ( 0.000 -6.063 3.424) 6.963 3.738 ( -0.000 -3.425 -3.774) 5.096 3.750 ( 0.000 -0.920 -6.430) 6.496 3.863 ( 0.000 -2.148 1.969) 2.914 4.008 ( 0.000 6.444 -11.476) 13.162 4.137 ( 0.000 -1.230 10.555) 10.627 4.306 ( 0.000 -0.296 -7.634) 7.640 4.451 ( 0.000 4.327 5.848) 7.275 4.523 ( 0.000 4.301 -2.061) 4.769 4.582 ( 0.000 -4.146 5.501) 6.888 4.645 ( -0.000 -3.131 -1.096) 3.317 4.764 ( 0.000 -0.067 3.632) 3.632 4.851 ( 0.000 -0.020 -5.293) 5.293 4.949 ( 0.000 -3.513 5.576) 6.590 5.026 ( 0.000 -4.033 -3.196) 5.146 5.479 ( 0.000 7.117 10.648) 12.808 5.669 ( -0.000 5.669 -9.436) 11.008 5.761 ( 0.000 5.024 -0.744) 5.079 5.793 ( 0.000 1.966 -3.600) 4.101 6.556 ( 0.000 3.558 6.368) 7.294 6.695 ( 0.000 2.476 -7.884) 8.264 6.738 ( -0.000 -1.546 6.162) 6.353 6.862 ( 0.000 -2.532 -7.098) 7.536 7.303 ( -0.000 5.433 6.317) 8.332 7.431 ( 0.000 4.112 -7.288) 8.368 7.525 ( 0.000 -1.461 1.109) 1.834 7.546 ( 0.000 -1.184 -1.012) 1.557 7.667 ( 0.000 -1.319 1.354) 1.890 7.690 ( 0.000 -1.155 -0.909) 1.470 7.728 ( -0.000 -3.833 1.975) 4.312 7.747 ( -0.000 -3.822 -0.174) 3.826 8.353 ( 0.000 -4.281 6.073) 7.430 8.467 ( 0.000 -6.644 -6.041) 8.980 8.644 ( 0.000 -11.459 4.820) 12.431 8.735 ( 0.000 -11.597 -4.865) 12.576 9.058 ( 0.000 15.020 3.725) 15.475 9.130 ( 0.000 13.026 -4.088) 13.653 9.382 ( 0.000 6.035 8.303) 10.265 9.528 ( 0.000 4.697 -7.142) 8.548 9.869 ( 0.000 -2.410 11.320) 11.574 10.086 ( 0.000 -2.164 -11.664) 11.864 10.316 ( 0.000 -9.538 1.089) 9.600 10.355 ( 0.000 -9.860 -3.149) 10.351 10.361 ( -0.000 1.817 6.660) 6.903 10.481 ( 0.000 0.832 -6.132) 6.189 10.692 ( 0.000 -12.324 4.008) 12.959 10.752 ( 0.000 -15.291 -2.310) 15.464 12.228 ( 0.000 8.290 3.859) 9.144 12.299 ( 0.000 8.835 -3.705) 9.580 12.806 ( 0.000 -7.876 8.403) 11.517 12.963 ( 0.000 -9.791 -8.236) 12.794 13.368 ( 0.000 15.509 11.553) 19.339 13.600 ( 0.000 15.396 -13.240) 20.306 14.087 ( 0.000 -7.554 11.191) 13.502 14.322 ( -0.000 -7.818 -14.069) 16.096 15.403 ( 0.000 5.863 9.727) 11.358 15.572 ( 0.000 9.849 -8.393) 12.940 15.745 ( 0.000 -0.941 15.580) 15.608 16.009 ( 0.000 0.423 -12.366) 12.373 16.419 ( 0.000 -0.415 9.684) 9.693 16.598 ( 0.000 -2.346 -9.132) 9.428 16.643 ( 0.000 -5.519 4.795) 7.311 16.732 ( 0.000 -4.402 -4.632) 6.390 24.269 ( -0.000 0.909 3.504) 3.620 24.342 ( -0.000 0.732 -4.442) 4.502 24.398 ( -0.000 -2.417 3.016) 3.865 24.455 ( -0.000 -2.130 -3.059) 3.728 24.831 ( 0.000 5.186 10.907) 12.078 24.991 ( 0.000 -0.290 7.930) 7.935 25.030 ( 0.000 4.969 -10.289) 11.426 25.131 ( -0.000 0.730 -6.992) 7.030 26.670 ( 0.000 1.100 4.466) 4.599 26.762 ( 0.000 1.008 -5.448) 5.540 26.871 ( -0.000 -4.953 3.884) 6.294 26.943 ( 0.000 -4.245 -3.846) 5.728 27.501 ( 0.000 7.119 7.778) 10.544 27.633 ( 0.000 7.377 -6.383) 9.755 27.956 ( 0.000 -5.183 13.902) 14.837 28.228 ( 0.000 -9.914 -14.963) 17.949 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 1.448 7.649) 7.785 1.620 ( 0.000 -2.269 3.121) 3.859 1.709 ( 0.000 1.374 -5.902) 6.060 1.745 ( 0.000 -2.349 -10.046) 10.317 1.980 ( 0.000 18.110 10.787) 21.079 2.216 ( 0.000 3.644 4.824) 6.046 2.218 ( 0.000 14.691 -14.169) 20.410 2.301 ( 0.000 10.526 -4.259) 11.355 2.600 ( 0.000 -2.229 1.114) 2.492 2.695 ( 0.000 -6.922 -8.263) 10.779 2.729 ( 0.000 -8.676 1.260) 8.767 2.774 ( 0.000 -8.729 -3.867) 9.547 2.964 ( 0.000 4.892 3.378) 5.945 3.023 ( 0.000 5.516 -1.924) 5.841 3.079 ( 0.000 -7.413 3.177) 8.065 3.134 ( 0.000 -5.872 -2.282) 6.299 3.394 ( 0.000 2.331 10.249) 10.510 3.431 ( 0.000 -2.749 12.585) 12.881 3.503 ( 0.000 11.564 0.178) 11.566 3.616 ( 0.000 -1.952 -6.876) 7.148 3.775 ( 0.000 1.010 1.436) 1.755 3.836 ( 0.000 -3.013 2.549) 3.946 3.861 ( 0.000 4.213 -6.692) 7.908 3.909 ( 0.000 -0.884 -4.736) 4.818 4.146 ( 0.000 6.233 8.390) 10.452 4.282 ( 0.000 4.598 -3.509) 5.784 4.286 ( 0.000 -3.574 9.591) 10.235 4.372 ( 0.000 -6.866 3.836) 7.865 4.441 ( 0.000 3.892 11.435) 12.079 4.577 ( 0.000 -8.001 -1.744) 8.189 4.652 ( 0.000 1.181 -8.459) 8.541 4.658 ( 0.000 0.091 -8.286) 8.286 4.850 ( 0.000 7.647 6.324) 9.923 5.008 ( 0.000 4.727 -10.225) 11.265 5.015 ( 0.000 -8.091 5.786) 9.947 5.107 ( 0.000 -4.343 -3.459) 5.552 6.945 ( 0.000 4.458 8.141) 9.282 7.009 ( 0.000 -0.878 13.038) 13.068 7.078 ( 0.000 7.170 -5.464) 9.015 7.206 ( 0.000 -3.929 -6.822) 7.873 7.261 ( 0.000 3.799 6.583) 7.600 7.369 ( 0.000 -7.197 4.883) 8.697 7.420 ( 0.000 3.406 -10.367) 10.912 7.500 ( 0.000 -4.919 -9.436) 10.642 7.863 ( 0.000 1.186 2.078) 2.393 7.891 ( 0.000 -1.534 4.139) 4.414 7.903 ( 0.000 3.573 -2.497) 4.360 7.983 ( 0.000 -4.021 -6.271) 7.450 8.416 ( 0.000 2.310 3.315) 4.041 8.477 ( 0.000 2.598 -3.191) 4.114 8.509 ( 0.000 -7.292 4.552) 8.596 8.586 ( 0.000 -8.780 -3.653) 9.510 9.273 ( 0.000 6.848 0.369) 6.858 9.292 ( 0.000 8.172 -1.873) 8.384 9.324 ( 0.000 0.411 2.703) 2.734 9.389 ( 0.000 -1.528 -4.715) 4.956 9.779 ( 0.000 9.665 11.802) 15.254 10.005 ( 0.000 7.795 -12.167) 14.449 10.066 ( 0.000 -17.256 8.684) 19.318 10.231 ( 0.000 -13.999 -8.862) 16.569 10.775 ( 0.000 2.149 4.041) 4.577 10.825 ( 0.000 3.640 -1.549) 3.956 10.832 ( 0.000 -3.471 5.877) 6.826 10.917 ( 0.000 -5.345 -3.408) 6.339 12.647 ( 0.000 8.442 10.710) 13.637 12.806 ( 0.000 -6.993 7.818) 10.489 12.857 ( 0.000 5.529 -11.819) 13.049 12.959 ( 0.000 -4.367 -8.454) 9.516 14.153 ( 0.000 12.685 10.808) 16.665 14.359 ( 0.000 13.280 -11.422) 17.516 14.392 ( 0.000 -11.138 10.468) 15.285 14.599 ( 0.000 -10.706 -11.720) 15.874 15.199 ( 0.000 2.877 6.794) 7.378 15.271 ( 0.000 -4.715 9.636) 10.728 15.322 ( 0.000 5.098 -6.446) 8.218 15.434 ( 0.000 -6.216 -8.104) 10.213 16.209 ( 0.000 4.977 8.815) 10.123 16.308 ( 0.000 -4.714 10.908) 11.883 16.368 ( 0.000 7.007 -8.096) 10.707 16.499 ( 0.000 -5.875 -9.465) 11.140 24.294 ( 0.000 1.741 2.711) 3.222 24.337 ( 0.000 -2.360 1.860) 3.005 24.347 ( 0.000 0.893 -2.984) 3.115 24.373 ( 0.000 -1.557 -2.106) 2.619 25.091 ( 0.000 0.952 14.088) 14.120 25.093 ( 0.000 1.015 16.820) 16.851 25.357 ( 0.000 3.677 -14.326) 14.790 25.412 ( 0.000 -1.301 -17.510) 17.558 26.870 ( 0.000 -0.535 3.907) 3.943 26.883 ( 0.000 -1.657 4.707) 4.990 26.941 ( 0.000 0.282 -3.679) 3.690 26.968 ( 0.000 -2.217 -4.424) 4.948 27.549 ( 0.000 3.877 8.502) 9.344 27.610 ( 0.000 -2.654 12.688) 12.963 27.701 ( 0.000 7.022 -7.717) 10.434 27.832 ( 0.000 -6.326 -11.115) 12.789 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.186 3.845 5.251) 6.511 1.640 ( 1.710 -2.533 1.889) 3.593 1.702 ( -3.461 0.866 -7.426) 8.239 1.720 ( 0.761 -1.236 -5.386) 5.578 2.092 ( 7.784 16.351 9.409) 20.408 2.270 ( 4.486 9.529 -2.984) 10.947 2.305 ( 5.006 9.063 -5.466) 11.708 2.330 ( 2.012 10.559 -2.126) 10.957 2.590 ( -1.717 -4.062 1.220) 4.575 2.656 ( -4.457 -5.039 -4.324) 7.997 2.707 ( -0.589 -9.832 0.021) 9.850 2.756 ( -1.653 -12.316 -5.361) 13.533 2.991 ( 3.056 8.542 5.459) 10.588 3.062 ( 6.306 5.431 -1.978) 8.554 3.176 ( 8.206 -7.801 1.539) 11.426 3.210 ( 7.953 -7.945 -1.026) 11.288 3.477 ( 7.660 1.752 9.492) 12.323 3.515 ( 5.979 -0.859 8.770) 10.649 3.587 ( 6.749 7.272 0.119) 9.922 3.639 ( 2.326 -0.503 -5.404) 5.905 3.788 ( 0.623 3.862 2.144) 4.461 3.876 ( 0.449 4.491 -6.607) 8.001 3.894 ( 6.331 -4.357 1.474) 7.825 3.936 ( 3.277 -1.478 -3.149) 4.779 4.216 ( 6.671 7.271 7.979) 12.690 4.341 ( 5.998 4.070 -1.256) 7.356 4.366 ( 7.162 -2.623 7.758) 10.880 4.430 ( 5.327 -6.335 5.066) 9.704 4.478 ( 4.291 3.576 6.898) 8.876 4.611 ( 3.314 -6.081 -3.748) 7.874 4.633 ( -1.417 1.627 -4.501) 4.992 4.659 ( 0.859 -0.900 -8.164) 8.259 4.907 ( 5.556 5.958 3.278) 8.781 4.993 ( 0.925 2.400 -2.622) 3.673 5.063 ( 3.663 -4.932 -0.017) 6.143 5.117 ( 1.552 -4.728 -3.141) 5.884 6.892 ( -4.829 2.767 8.356) 10.040 6.914 ( -6.571 0.967 9.971) 11.981 7.033 ( -4.129 4.252 -6.070) 8.484 7.102 ( -8.207 -1.471 -8.269) 11.742 7.329 ( 4.642 3.721 6.632) 8.909 7.410 ( 3.814 -3.728 3.651) 6.464 7.479 ( 3.252 0.499 -7.089) 7.816 7.525 ( 1.950 -3.720 -7.009) 8.172 7.830 ( -2.945 1.107 1.843) 3.646 7.854 ( -3.139 -0.269 2.579) 4.072 7.873 ( -2.887 2.439 -1.937) 4.247 7.931 ( -4.208 -1.893 -4.992) 6.798 8.421 ( 0.447 1.942 3.981) 4.452 8.488 ( 0.875 -0.269 -1.848) 2.062 8.532 ( 1.403 -7.696 1.738) 8.014 8.590 ( 0.090 -8.962 -3.126) 9.492 9.300 ( 2.329 8.243 1.389) 8.677 9.334 ( 3.351 8.258 -2.290) 9.202 9.363 ( 3.354 1.381 2.569) 4.445 9.430 ( 3.581 -0.984 -4.715) 6.002 9.783 ( 0.379 8.159 11.719) 14.284 10.002 ( -0.137 5.978 -10.890) 12.423 10.063 ( -0.388 -17.005 7.641) 18.647 10.223 ( -0.827 -14.519 -8.768) 16.981 10.724 ( -4.700 1.701 4.109) 6.471 10.756 ( -5.754 0.563 3.272) 6.643 10.795 ( -4.158 -0.426 0.658) 4.231 10.859 ( -5.479 -4.711 -3.616) 8.080 12.611 ( -3.271 9.079 9.440) 13.500 12.768 ( -3.860 -0.984 1.634) 4.305 12.809 ( -3.921 0.412 -4.221) 5.776 12.929 ( -2.846 -6.084 -7.967) 10.420 14.018 ( -10.487 13.256 10.539) 19.919 14.222 ( -10.120 11.596 -9.536) 18.106 14.270 ( -9.967 -9.428 8.037) 15.900 14.477 ( -9.778 -11.390 -12.273) 19.389 15.323 ( 10.433 3.150 9.418) 14.404 15.378 ( 8.019 -1.788 10.347) 13.213 15.500 ( 13.920 2.437 -7.587) 16.040 15.579 ( 10.487 -4.679 -9.403) 14.842 16.241 ( 3.367 3.589 7.999) 9.392 16.320 ( 1.223 -4.007 10.308) 11.127 16.386 ( 2.194 5.810 -7.352) 9.624 16.503 ( 0.496 -5.561 -9.150) 10.719 24.295 ( 0.047 1.747 2.811) 3.310 24.337 ( 0.058 -2.359 2.026) 3.110 24.350 ( 0.241 0.996 -3.096) 3.261 24.378 ( 0.421 -1.649 -2.352) 2.903 25.064 ( -2.576 1.730 15.321) 15.632 25.075 ( -1.594 0.430 13.628) 13.727 25.323 ( -3.262 2.931 -13.379) 14.079 25.359 ( -4.653 -0.225 -15.735) 16.411 26.829 ( -3.091 1.046 4.137) 5.269 26.864 ( -2.071 -2.044 3.934) 4.893 26.912 ( -2.315 0.256 -3.629) 4.312 26.952 ( -1.668 -3.286 -4.284) 5.651 27.583 ( 2.512 3.536 8.932) 9.929 27.634 ( 2.832 -0.912 10.849) 11.250 27.750 ( 3.572 4.121 -7.199) 9.032 27.854 ( 2.354 -5.600 -10.794) 12.386 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.367 6.388 0.387) 6.411 1.614 ( -3.967 6.595 -3.999) 8.673 1.685 ( 1.571 -4.406 0.648) 4.723 1.729 ( -0.109 -5.031 -3.893) 6.362 2.199 ( 2.589 12.974 7.011) 14.972 2.323 ( -0.006 6.687 -3.468) 7.533 2.354 ( 0.305 8.000 -1.171) 8.091 2.376 ( 2.383 8.277 -1.329) 8.716 2.537 ( -1.870 -2.243 2.105) 3.600 2.593 ( -0.447 -3.203 -3.341) 4.650 2.717 ( 0.587 -11.113 -1.022) 11.175 2.740 ( 0.807 -15.144 -3.884) 15.655 3.062 ( 3.278 13.623 10.071) 17.256 3.218 ( 6.910 9.471 -6.380) 13.348 3.334 ( 6.131 -10.889 6.005) 13.865 3.413 ( 9.102 -8.196 -2.166) 12.438 3.563 ( -1.312 3.480 5.904) 6.978 3.613 ( 0.564 -0.813 2.027) 2.256 3.661 ( 2.745 -0.031 1.353) 3.060 3.690 ( 1.516 -3.653 -1.823) 4.355 3.894 ( 2.072 6.809 -0.120) 7.118 3.937 ( 11.820 6.581 -2.351) 13.732 4.019 ( 4.103 -3.189 -0.482) 5.219 4.059 ( 9.611 -3.457 -2.623) 10.545 4.367 ( 6.496 9.786 9.696) 15.230 4.496 ( 6.217 3.459 -0.556) 7.136 4.517 ( 6.198 0.365 3.927) 7.346 4.562 ( 5.103 -2.758 1.077) 5.900 4.611 ( 8.983 3.911 0.476) 9.809 4.649 ( 4.217 -2.143 0.299) 4.739 4.683 ( 4.061 -1.790 -2.484) 5.086 4.741 ( 7.433 -7.259 -5.716) 11.858 5.083 ( 10.754 7.214 2.118) 13.121 5.110 ( 13.813 3.443 -0.927) 14.266 5.214 ( 12.904 -5.336 0.449) 13.971 5.237 ( 12.791 -5.213 -2.091) 13.970 6.764 ( -6.175 3.697 8.360) 11.031 6.810 ( -4.413 -0.854 5.965) 7.469 6.929 ( -7.398 1.597 -8.109) 11.092 6.938 ( -5.551 0.332 -6.927) 8.883 7.404 ( 2.327 4.356 5.414) 7.328 7.478 ( 2.085 -2.379 2.456) 4.005 7.518 ( 0.619 0.459 -4.580) 4.645 7.552 ( 0.195 -2.535 -3.657) 4.454 7.758 ( -3.861 1.202 1.372) 4.271 7.783 ( -3.866 1.504 -0.089) 4.149 7.801 ( -3.528 0.488 0.138) 3.565 7.851 ( -3.478 -1.033 -3.881) 5.313 8.419 ( -1.151 0.965 4.779) 5.010 8.488 ( -1.205 -3.414 0.020) 3.620 8.537 ( -1.579 -6.947 -1.190) 7.222 8.578 ( -1.315 -8.227 -3.236) 8.937 9.349 ( 2.215 11.445 2.302) 11.883 9.397 ( 2.401 10.989 -2.913) 11.619 9.433 ( 3.197 2.682 3.608) 5.517 9.512 ( 3.960 -0.114 -4.644) 6.104 9.792 ( 0.390 3.839 11.809) 12.424 10.003 ( 0.175 0.188 -7.823) 7.827 10.045 ( -1.401 -15.353 4.510) 16.063 10.194 ( -2.125 -14.657 -8.568) 17.110 10.606 ( -6.970 0.382 4.697) 8.413 10.618 ( -6.480 -0.267 4.340) 7.804 10.686 ( -5.793 -0.522 -1.945) 6.133 10.717 ( -7.784 -2.911 -3.916) 9.187 12.530 ( -4.321 9.990 7.046) 12.966 12.659 ( -6.050 9.047 -5.899) 12.380 12.727 ( -4.016 -8.130 5.556) 10.635 12.853 ( -4.201 -8.907 -7.089) 12.135 13.819 ( -8.204 13.480 10.923) 19.192 14.038 ( -7.361 9.999 -9.201) 15.454 14.070 ( -8.616 -7.771 6.789) 13.443 14.287 ( -7.908 -11.017 -13.109) 18.861 15.505 ( 3.872 2.604 13.068) 13.876 15.530 ( 8.408 0.499 12.575) 15.135 15.743 ( 5.306 1.789 -10.592) 11.981 15.771 ( 10.438 -0.979 -11.464) 15.535 16.341 ( 5.307 0.068 7.784) 9.421 16.365 ( 3.915 -1.971 7.859) 8.999 16.469 ( 5.827 1.222 -6.049) 8.487 16.523 ( 1.522 -3.749 -8.186) 9.132 24.296 ( 0.067 1.804 3.049) 3.543 24.340 ( 0.164 -2.409 2.468) 3.453 24.356 ( 0.373 1.269 -3.421) 3.667 24.389 ( 0.681 -1.909 -2.887) 3.527 25.001 ( -3.281 2.857 12.960) 13.670 25.034 ( -2.279 -0.562 11.715) 11.947 25.231 ( -5.283 2.761 -11.502) 12.954 25.258 ( -4.799 0.085 -12.203) 13.112 26.766 ( -2.838 2.056 4.309) 5.554 26.817 ( -2.157 -2.003 3.134) 4.299 26.859 ( -2.683 -0.014 -3.452) 4.372 26.909 ( -2.218 -3.952 -4.453) 6.353 27.626 ( 1.741 5.543 9.169) 10.855 27.716 ( 4.367 -1.464 8.425) 9.602 27.803 ( 1.498 3.385 -6.206) 7.227 27.926 ( 4.108 -7.042 -10.408) 13.221 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -2.403 9.197 -0.240) 9.509 1.574 ( -0.442 7.486 -4.498) 8.744 1.703 ( 0.140 -6.085 -1.314) 6.227 1.714 ( -1.118 -7.570 -2.375) 8.012 2.225 ( 0.658 9.003 6.436) 11.086 2.309 ( -0.622 4.345 2.583) 5.093 2.354 ( -0.085 6.572 -4.681) 8.069 2.391 ( -0.313 5.267 -3.738) 6.466 2.564 ( 3.865 -0.080 3.928) 5.512 2.624 ( 2.436 -3.208 -2.511) 4.746 2.709 ( -1.547 -8.609 0.462) 8.759 2.767 ( 1.198 -14.996 -5.462) 16.004 3.118 ( 2.272 17.012 12.749) 21.380 3.321 ( 3.468 11.390 -7.692) 14.175 3.401 ( -0.084 -6.084 11.525) 13.033 3.497 ( -1.901 1.346 5.317) 5.805 3.543 ( 3.214 -5.751 -2.065) 6.904 3.585 ( -1.188 -4.447 0.045) 4.603 3.678 ( -1.556 -2.439 -7.735) 8.259 3.694 ( -0.466 -2.421 -5.245) 5.795 3.939 ( 1.618 7.179 8.726) 11.415 4.062 ( 1.992 -4.852 9.121) 10.521 4.128 ( 4.657 6.299 -10.041) 12.736 4.224 ( 5.216 -3.497 -7.665) 9.909 4.463 ( 3.408 6.656 8.025) 10.969 4.541 ( 0.160 1.322 2.633) 2.951 4.587 ( 1.143 1.214 0.015) 1.668 4.622 ( 0.838 -0.571 -1.394) 1.724 4.730 ( 3.382 -0.027 1.582) 3.734 4.786 ( 6.528 1.610 -3.654) 7.652 4.802 ( 5.218 -5.042 3.095) 7.888 4.876 ( 4.874 -5.877 -4.254) 8.740 5.404 ( 18.705 8.700 6.999) 21.784 5.502 ( 21.450 6.297 -3.512) 22.629 5.558 ( 17.828 -5.567 2.835) 18.891 5.612 ( 19.370 -3.473 -2.970) 19.902 6.666 ( -3.274 4.121 5.568) 7.662 6.732 ( -3.123 -2.096 4.391) 5.782 6.797 ( -4.845 2.371 -7.466) 9.211 6.845 ( -3.775 -2.207 -6.897) 8.167 7.422 ( -0.244 4.696 4.420) 6.454 7.491 ( -0.330 -2.074 1.590) 2.634 7.511 ( -1.017 0.963 -3.669) 3.927 7.536 ( -1.332 -1.635 -1.981) 2.893 7.684 ( -3.094 1.009 0.900) 3.377 7.696 ( -4.282 2.522 -0.447) 4.990 7.732 ( -3.803 -2.054 1.368) 4.533 7.769 ( -5.035 -2.393 -2.580) 6.142 8.370 ( -3.086 1.134 4.610) 5.662 8.447 ( -2.426 -2.093 -1.320) 3.466 8.473 ( -3.440 -6.374 0.983) 7.309 8.543 ( -1.758 -8.279 -4.248) 9.470 9.386 ( 1.354 14.729 2.010) 14.927 9.428 ( 0.885 14.204 -2.781) 14.501 9.483 ( 1.577 4.011 5.273) 6.811 9.577 ( 2.236 0.387 -4.710) 5.228 9.796 ( 0.019 -0.583 12.009) 12.023 10.002 ( -0.651 -15.055 3.212) 15.407 10.018 ( -0.568 -4.450 -7.751) 8.956 10.144 ( -2.447 -13.281 -8.098) 15.746 10.469 ( -5.226 2.215 5.482) 7.891 10.527 ( -2.657 -3.290 2.855) 5.102 10.570 ( -5.172 -0.867 -3.523) 6.318 10.596 ( -3.427 -2.810 -2.734) 5.208 12.453 ( -2.896 10.374 5.284) 11.997 12.553 ( -3.906 11.235 -5.302) 13.023 12.656 ( -2.677 -9.552 6.285) 11.743 12.777 ( -2.902 -10.839 -6.570) 13.002 13.698 ( -3.779 13.458 11.240) 17.937 13.928 ( -3.631 12.436 -12.523) 18.019 13.942 ( -3.949 -9.922 10.082) 14.687 14.170 ( -3.646 -10.804 -13.593) 17.742 15.541 ( 0.373 6.314 13.789) 15.170 15.648 ( 3.366 -3.370 14.901) 15.643 15.787 ( 0.249 7.892 -11.595) 14.028 15.920 ( 4.254 -4.363 -13.290) 14.620 16.413 ( 2.646 1.799 8.189) 8.791 16.477 ( 4.936 -4.271 6.121) 8.948 16.560 ( 1.946 -0.417 -7.335) 7.600 16.589 ( 4.909 -2.946 -5.649) 8.043 24.297 ( 0.052 1.932 3.293) 3.819 24.344 ( 0.186 -2.547 2.976) 3.922 24.364 ( 0.301 1.574 -3.822) 4.144 24.402 ( 0.550 -2.207 -3.355) 4.053 24.944 ( -2.118 3.495 10.996) 11.731 24.991 ( -1.661 -1.364 9.890) 10.121 25.140 ( -3.225 2.909 -9.889) 10.800 25.172 ( -3.328 -0.426 -9.496) 10.071 26.721 ( -1.540 2.417 4.422) 5.269 26.784 ( -1.044 -3.096 3.417) 4.728 26.812 ( -1.750 1.046 -4.063) 4.546 26.872 ( -1.366 -4.006 -4.561) 6.222 27.654 ( 0.960 7.803 8.481) 11.565 27.788 ( 2.446 1.047 2.927) 3.956 27.821 ( 0.555 1.193 -0.535) 1.420 27.995 ( 2.415 -9.669 -10.304) 14.336 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 9.821 0.651) 9.843 1.570 ( -0.000 7.381 -6.008) 9.517 1.699 ( 0.000 -8.965 -1.608) 9.108 1.702 ( 0.000 -5.850 -2.134) 6.227 2.233 ( 0.000 7.796 6.530) 10.169 2.303 ( -0.000 3.858 4.595) 6.000 2.353 ( 0.000 6.556 -6.303) 9.095 2.385 ( 0.000 4.904 -4.316) 6.532 2.647 ( 0.000 -6.797 6.676) 9.527 2.649 ( -0.000 -3.494 -0.461) 3.524 2.660 ( 0.000 -2.585 -1.720) 3.105 2.779 ( 0.000 -14.067 -7.344) 15.869 3.145 ( -0.000 18.501 13.110) 22.675 3.360 ( -0.000 13.524 -9.026) 16.259 3.374 ( 0.000 0.820 14.908) 14.931 3.488 ( 0.000 -3.459 4.837) 5.946 3.551 ( -0.000 -5.309 4.615) 7.035 3.603 ( 0.000 -7.427 -4.036) 8.453 3.656 ( 0.000 -3.428 -12.302) 12.770 3.677 ( -0.000 -2.734 -8.038) 8.490 3.954 ( 0.000 7.983 11.085) 13.661 4.082 ( -0.000 -4.419 11.394) 12.221 4.170 ( 0.000 7.323 -11.172) 13.359 4.272 ( 0.000 -3.073 -8.898) 9.414 4.512 ( -0.000 1.436 6.498) 6.655 4.529 ( 0.000 -1.187 6.426) 6.535 4.598 ( -0.000 2.532 -2.748) 3.737 4.616 ( 0.000 -0.269 -2.904) 2.917 4.771 ( 0.000 1.803 3.969) 4.359 4.852 ( -0.000 -5.444 4.127) 6.832 4.859 ( 0.000 1.443 -5.235) 5.430 4.926 ( 0.000 -4.931 -3.925) 6.303 5.639 ( 0.000 8.023 9.117) 12.145 5.768 ( 0.000 -4.181 4.417) 6.082 5.781 ( -0.000 4.701 -6.044) 7.657 5.827 ( 0.000 0.514 -2.442) 2.496 6.634 ( 0.000 3.748 3.748) 5.301 6.696 ( 0.000 -2.496 3.956) 4.677 6.745 ( 0.000 2.464 -7.445) 7.842 6.801 ( -0.000 -3.210 -7.139) 7.828 7.414 ( -0.000 4.760 4.255) 6.385 7.483 ( 0.000 -2.568 2.011) 3.262 7.496 ( 0.000 1.684 -4.424) 4.734 7.518 ( 0.000 -1.252 -1.612) 2.041 7.647 ( 0.000 0.074 0.910) 0.913 7.663 ( 0.000 -0.419 -0.649) 0.773 7.668 ( -0.000 -2.029 1.341) 2.432 7.688 ( -0.000 -2.168 -0.792) 2.308 8.332 ( 0.000 2.251 4.280) 4.836 8.412 ( 0.000 1.690 -4.236) 4.561 8.440 ( 0.000 -8.280 4.374) 9.364 8.524 ( 0.000 -8.786 -4.509) 9.875 9.401 ( 0.000 16.261 1.487) 16.329 9.437 ( 0.000 15.276 -2.497) 15.479 9.498 ( 0.000 4.512 6.164) 7.639 9.599 ( 0.000 0.467 -4.827) 4.849 9.796 ( 0.000 -2.066 12.029) 12.206 9.991 ( 0.000 -19.050 5.606) 19.858 10.017 ( -0.000 -2.510 -11.343) 11.617 10.114 ( 0.000 -12.452 -7.405) 14.487 10.415 ( 0.000 3.384 5.454) 6.418 10.508 ( 0.000 -6.678 3.543) 7.560 10.510 ( -0.000 1.885 -4.854) 5.207 10.562 ( 0.000 -3.962 -2.475) 4.672 12.422 ( 0.000 10.432 4.679) 11.433 12.512 ( 0.000 11.648 -4.843) 12.615 12.627 ( 0.000 -9.816 6.227) 11.625 12.747 ( 0.000 -11.521 -6.420) 13.190 13.660 ( 0.000 13.518 11.258) 17.592 13.890 ( 0.000 13.460 -13.384) 18.981 13.903 ( 0.000 -10.715 11.115) 15.439 14.134 ( 0.000 -10.848 -13.679) 17.458 15.542 ( 0.000 7.539 13.825) 15.747 15.680 ( 0.000 -5.574 16.097) 17.034 15.785 ( 0.000 10.611 -12.230) 16.191 15.960 ( 0.000 -5.948 -13.898) 15.117 16.442 ( 0.000 2.941 7.890) 8.420 16.530 ( 0.000 -5.439 6.249) 8.284 16.583 ( 0.000 1.266 -7.086) 7.198 16.642 ( 0.000 -4.189 -5.710) 7.082 24.298 ( -0.000 2.007 3.403) 3.951 24.346 ( 0.000 -2.638 3.212) 4.157 24.367 ( 0.000 1.719 -4.015) 4.368 24.409 ( 0.000 -2.336 -3.537) 4.239 24.921 ( 0.000 3.643 10.307) 10.932 24.974 ( 0.000 -1.631 9.118) 9.263 25.108 ( 0.000 2.633 -9.556) 9.912 25.136 ( -0.000 -0.379 -8.257) 8.265 26.705 ( 0.000 2.529 4.441) 5.111 26.774 ( 0.000 -4.341 4.310) 6.117 26.794 ( 0.000 2.318 -5.049) 5.556 26.857 ( 0.000 -3.978 -4.559) 6.050 27.664 ( 0.000 8.640 8.125) 11.860 27.810 ( 0.000 9.983 -7.489) 12.480 27.829 ( 0.000 -7.507 10.055) 12.548 28.020 ( 0.000 -10.682 -10.227) 14.788 =================== 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 3/26880 10.0 393.167 521.304 760.894 0.000 0.000 -0.000 3/26880 20.0 63.242 106.093 107.503 0.000 0.000 -0.000 3/26880 30.0 28.181 47.300 42.168 0.000 0.000 -0.000 3/26880 40.0 17.054 28.279 23.932 0.000 0.000 -0.000 3/26880 50.0 12.237 19.779 16.351 0.000 0.000 -0.000 3/26880 60.0 9.655 15.137 12.381 0.000 0.000 -0.000 3/26880 70.0 8.041 12.253 9.974 0.000 0.000 -0.000 3/26880 80.0 6.922 10.301 8.367 0.000 0.000 -0.000 3/26880 90.0 6.092 8.898 7.220 0.000 0.000 -0.000 3/26880 100.0 5.447 7.845 6.362 0.000 0.000 -0.000 3/26880 110.0 4.931 7.025 5.697 0.000 0.000 -0.000 3/26880 120.0 4.508 6.371 5.166 0.000 0.000 -0.000 3/26880 130.0 4.155 5.835 4.733 0.000 0.000 -0.000 3/26880 140.0 3.856 5.389 4.373 0.000 0.000 -0.000 3/26880 150.0 3.599 5.011 4.069 0.000 0.000 -0.000 3/26880 160.0 3.375 4.686 3.809 0.000 0.000 -0.000 3/26880 170.0 3.179 4.403 3.582 0.000 0.000 -0.000 3/26880 180.0 3.006 4.155 3.384 0.000 0.000 -0.000 3/26880 190.0 2.851 3.934 3.209 0.000 0.000 -0.000 3/26880 200.0 2.712 3.738 3.053 0.000 0.000 -0.000 3/26880 210.0 2.587 3.561 2.913 0.000 0.000 -0.000 3/26880 220.0 2.473 3.401 2.786 0.000 0.000 -0.000 3/26880 230.0 2.369 3.255 2.671 0.000 0.000 -0.000 3/26880 240.0 2.273 3.122 2.565 0.000 0.000 -0.000 3/26880 250.0 2.186 3.000 2.469 0.000 0.000 -0.000 3/26880 260.0 2.105 2.887 2.380 0.000 0.000 -0.000 3/26880 270.0 2.030 2.783 2.297 0.000 0.000 -0.000 3/26880 280.0 1.960 2.686 2.221 0.000 0.000 -0.000 3/26880 290.0 1.895 2.596 2.150 0.000 0.000 -0.000 3/26880 300.0 1.834 2.512 2.083 0.000 0.000 -0.000 3/26880 310.0 1.777 2.433 2.021 0.000 0.000 -0.000 3/26880 320.0 1.724 2.360 1.963 0.000 0.000 -0.000 3/26880 330.0 1.673 2.290 1.908 0.000 0.000 -0.000 3/26880 340.0 1.626 2.225 1.856 0.000 0.000 -0.000 3/26880 350.0 1.581 2.163 1.807 0.000 0.000 -0.000 3/26880 360.0 1.539 2.105 1.761 0.000 0.000 -0.000 3/26880 370.0 1.499 2.050 1.717 0.000 0.000 -0.000 3/26880 380.0 1.461 1.998 1.675 0.000 0.000 -0.000 3/26880 390.0 1.424 1.948 1.635 0.000 0.000 -0.000 3/26880 400.0 1.390 1.901 1.597 0.000 0.000 -0.000 3/26880 410.0 1.357 1.856 1.561 0.000 0.000 -0.000 3/26880 420.0 1.326 1.813 1.527 0.000 0.000 -0.000 3/26880 430.0 1.296 1.772 1.494 0.000 0.000 -0.000 3/26880 440.0 1.268 1.733 1.462 0.000 0.000 -0.000 3/26880 450.0 1.240 1.696 1.432 0.000 0.000 -0.000 3/26880 460.0 1.214 1.660 1.403 0.000 0.000 -0.000 3/26880 470.0 1.189 1.626 1.376 0.000 0.000 -0.000 3/26880 480.0 1.165 1.593 1.349 0.000 0.000 -0.000 3/26880 490.0 1.142 1.561 1.323 0.000 0.000 -0.000 3/26880 500.0 1.120 1.531 1.298 0.000 0.000 -0.000 3/26880 510.0 1.099 1.502 1.275 0.000 0.000 -0.000 3/26880 520.0 1.078 1.474 1.252 0.000 0.000 -0.000 3/26880 530.0 1.058 1.447 1.230 0.000 0.000 -0.000 3/26880 540.0 1.039 1.421 1.208 0.000 0.000 -0.000 3/26880 550.0 1.021 1.396 1.188 0.000 0.000 -0.000 3/26880 560.0 1.003 1.371 1.168 0.000 0.000 -0.000 3/26880 570.0 0.986 1.348 1.148 0.000 0.000 -0.000 3/26880 580.0 0.969 1.325 1.130 0.000 0.000 -0.000 3/26880 590.0 0.953 1.303 1.112 0.000 0.000 -0.000 3/26880 600.0 0.938 1.282 1.094 0.000 0.000 -0.000 3/26880 610.0 0.923 1.262 1.077 0.000 0.000 -0.000 3/26880 620.0 0.908 1.242 1.061 0.000 0.000 -0.000 3/26880 630.0 0.894 1.222 1.045 0.000 0.000 -0.000 3/26880 640.0 0.881 1.204 1.029 0.000 0.000 -0.000 3/26880 650.0 0.867 1.186 1.014 0.000 0.000 -0.000 3/26880 660.0 0.854 1.168 1.000 0.000 0.000 -0.000 3/26880 670.0 0.842 1.151 0.986 0.000 0.000 -0.000 3/26880 680.0 0.830 1.134 0.972 0.000 0.000 -0.000 3/26880 690.0 0.818 1.118 0.958 0.000 0.000 -0.000 3/26880 700.0 0.807 1.103 0.945 0.000 0.000 -0.000 3/26880 710.0 0.795 1.088 0.933 0.000 0.000 -0.000 3/26880 720.0 0.785 1.073 0.920 0.000 0.000 -0.000 3/26880 730.0 0.774 1.058 0.908 0.000 0.000 -0.000 3/26880 740.0 0.764 1.044 0.897 0.000 0.000 -0.000 3/26880 750.0 0.754 1.031 0.885 0.000 0.000 -0.000 3/26880 760.0 0.744 1.017 0.874 0.000 0.000 -0.000 3/26880 770.0 0.735 1.004 0.863 0.000 0.000 -0.000 3/26880 780.0 0.725 0.992 0.852 0.000 0.000 -0.000 3/26880 790.0 0.716 0.979 0.842 0.000 0.000 -0.000 3/26880 800.0 0.708 0.967 0.832 0.000 0.000 -0.000 3/26880 810.0 0.699 0.956 0.822 0.000 0.000 -0.000 3/26880 820.0 0.691 0.944 0.812 0.000 0.000 -0.000 3/26880 830.0 0.682 0.933 0.803 0.000 0.000 -0.000 3/26880 840.0 0.674 0.922 0.794 0.000 0.000 -0.000 3/26880 850.0 0.667 0.911 0.785 0.000 0.000 -0.000 3/26880 860.0 0.659 0.901 0.776 0.000 0.000 -0.000 3/26880 870.0 0.652 0.891 0.767 0.000 0.000 -0.000 3/26880 880.0 0.644 0.881 0.759 0.000 0.000 -0.000 3/26880 890.0 0.637 0.871 0.751 0.000 0.000 -0.000 3/26880 900.0 0.630 0.862 0.743 0.000 0.000 -0.000 3/26880 910.0 0.623 0.852 0.735 0.000 0.000 -0.000 3/26880 920.0 0.617 0.843 0.727 0.000 0.000 -0.000 3/26880 930.0 0.610 0.834 0.720 0.000 0.000 -0.000 3/26880 940.0 0.604 0.825 0.712 0.000 0.000 -0.000 3/26880 950.0 0.597 0.817 0.705 0.000 0.000 -0.000 3/26880 960.0 0.591 0.808 0.698 0.000 0.000 -0.000 3/26880 970.0 0.585 0.800 0.691 0.000 0.000 -0.000 3/26880 980.0 0.579 0.792 0.684 0.000 0.000 -0.000 3/26880 990.0 0.574 0.784 0.677 0.000 0.000 -0.000 3/26880 1000.0 0.568 0.777 0.671 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:42:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|