----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:03:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.092976165000000 -3.514205404999999 0.000000000000000 b 6.092976165000000 3.514205404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): *1 La 0.82993316869380 0.82993316869380 0.00000000000000 138.905 2 La 0.82993316869380 0.82993316869380 0.50000000000000 138.905 3 La 0.17006683130620 0.17006683130620 0.00000000000000 138.905 4 La 0.17006683130620 0.17006683130620 0.50000000000000 138.905 *5 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 6 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 *7 Al 0.16564265845872 0.57457535047419 0.25000000000000 26.982 8 Al 0.57457535047419 0.16564265845872 0.75000000000000 26.982 9 Al 0.42542464952581 0.83435734154128 0.25000000000000 26.982 10 Al 0.83435734154128 0.42542464952581 0.75000000000000 26.982 *11 Al 0.09574114280331 0.90425885719669 0.75000000000000 26.982 12 Al 0.90425885719669 0.09574114280331 0.25000000000000 26.982 *13 O 0.83492428906679 0.92151759792169 0.75000000000000 15.999 14 O 0.92151759792169 0.83492428906679 0.25000000000000 15.999 *15 O 0.16626005939798 0.47976860367316 0.09154732041890 15.999 16 O 0.16626005939798 0.47976860367316 0.40845267958110 15.999 17 O 0.47976860367316 0.16626005939798 0.90845267958110 15.999 18 O 0.47976860367316 0.16626005939798 0.59154732041890 15.999 19 O 0.52023139632684 0.83373994060202 0.09154732041890 15.999 20 O 0.52023139632684 0.83373994060202 0.40845267958110 15.999 21 O 0.83373994060202 0.52023139632684 0.90845267958110 15.999 22 O 0.83373994060202 0.52023139632684 0.59154732041890 15.999 23 O 0.16507571093321 0.07848240207831 0.25000000000000 15.999 24 O 0.07848240207831 0.16507571093321 0.75000000000000 15.999 *25 O 0.59014243407245 0.40985756592755 0.75000000000000 15.999 *26 O 0.18730586401283 0.81269413598717 0.91087019076663 15.999 27 O 0.18730586401283 0.81269413598717 0.58912980923337 15.999 28 O 0.81269413598717 0.18730586401283 0.41087019076663 15.999 29 O 0.81269413598717 0.18730586401283 0.08912980923337 15.999 30 O 0.40985756592755 0.59014243407245 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.185952329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.028410809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): *1 La 0.32993316869380 0.50000000000000 0.00000000000000 138.905 > 1 2 La 0.32993316869380 0.50000000000000 0.50000000000000 138.905 > 2 3 La 0.17006683130620 0.00000000000000 0.00000000000000 138.905 > 3 4 La 0.17006683130620 0.00000000000000 0.50000000000000 138.905 > 4 *5 La 0.00000000000000 0.50000000000000 0.50000000000000 138.905 > 5 6 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 > 6 7 La 0.82993316869380 0.00000000000000 0.00000000000000 138.905 > 1 8 La 0.82993316869380 0.00000000000000 0.50000000000000 138.905 > 2 9 La 0.67006683130620 0.50000000000000 0.00000000000000 138.905 > 3 10 La 0.67006683130620 0.50000000000000 0.50000000000000 138.905 > 4 11 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 5 12 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 6 *13 Al 0.37010900446646 0.20446634600774 0.25000000000000 26.982 > 7 14 Al 0.37010900446646 0.79553365399226 0.75000000000000 26.982 > 8 15 Al 0.12989099553354 0.70446634600774 0.25000000000000 26.982 > 9 16 Al 0.12989099553354 0.29553365399226 0.75000000000000 26.982 > 10 *17 Al 0.00000000000000 0.90425885719669 0.75000000000000 26.982 > 11 18 Al 0.00000000000000 0.09574114280331 0.25000000000000 26.982 > 12 19 Al 0.87010900446646 0.70446634600774 0.25000000000000 26.982 > 7 20 Al 0.87010900446646 0.29553365399226 0.75000000000000 26.982 > 8 21 Al 0.62989099553354 0.20446634600774 0.25000000000000 26.982 > 9 22 Al 0.62989099553354 0.79553365399226 0.75000000000000 26.982 > 10 23 Al 0.50000000000000 0.40425885719669 0.75000000000000 26.982 > 11 24 Al 0.50000000000000 0.59574114280331 0.25000000000000 26.982 > 12 *25 O 0.37822094349424 0.54329665442745 0.75000000000000 15.999 > 13 26 O 0.37822094349424 0.45670334557255 0.25000000000000 15.999 > 14 *27 O 0.32301433153557 0.15675427213759 0.09154732041890 15.999 > 15 28 O 0.32301433153557 0.15675427213759 0.40845267958110 15.999 > 16 29 O 0.32301433153557 0.84324572786241 0.90845267958110 15.999 > 17 30 O 0.32301433153557 0.84324572786241 0.59154732041890 15.999 > 18 31 O 0.17698566846443 0.65675427213759 0.09154732041890 15.999 > 19 32 O 0.17698566846443 0.65675427213759 0.40845267958110 15.999 > 20 33 O 0.17698566846443 0.34324572786241 0.90845267958110 15.999 > 21 34 O 0.17698566846443 0.34324572786241 0.59154732041890 15.999 > 22 35 O 0.12177905650576 0.95670334557255 0.25000000000000 15.999 > 23 36 O 0.12177905650576 0.04329665442745 0.75000000000000 15.999 > 24 *37 O 0.00000000000000 0.40985756592755 0.75000000000000 15.999 > 25 *38 O 0.00000000000000 0.81269413598717 0.91087019076663 15.999 > 26 39 O 0.00000000000000 0.81269413598717 0.58912980923337 15.999 > 27 40 O 0.00000000000000 0.18730586401283 0.41087019076663 15.999 > 28 41 O 0.00000000000000 0.18730586401283 0.08912980923337 15.999 > 29 42 O 0.00000000000000 0.59014243407245 0.25000000000000 15.999 > 30 43 O 0.87822094349424 0.04329665442745 0.75000000000000 15.999 > 13 44 O 0.87822094349424 0.95670334557255 0.25000000000000 15.999 > 14 45 O 0.82301433153557 0.65675427213759 0.09154732041890 15.999 > 15 46 O 0.82301433153557 0.65675427213759 0.40845267958110 15.999 > 16 47 O 0.82301433153557 0.34324572786241 0.90845267958110 15.999 > 17 48 O 0.82301433153557 0.34324572786241 0.59154732041890 15.999 > 18 49 O 0.67698566846443 0.15675427213759 0.09154732041890 15.999 > 19 50 O 0.67698566846443 0.15675427213759 0.40845267958110 15.999 > 20 51 O 0.67698566846443 0.84324572786241 0.90845267958110 15.999 > 21 52 O 0.67698566846443 0.84324572786241 0.59154732041890 15.999 > 22 53 O 0.62177905650576 0.45670334557255 0.25000000000000 15.999 > 23 54 O 0.62177905650576 0.54329665442745 0.75000000000000 15.999 > 24 55 O 0.50000000000000 0.90985756592755 0.75000000000000 15.999 > 25 56 O 0.50000000000000 0.31269413598717 0.91087019076663 15.999 > 26 57 O 0.50000000000000 0.31269413598717 0.58912980923337 15.999 > 27 58 O 0.50000000000000 0.68730586401283 0.41087019076663 15.999 > 28 59 O 0.50000000000000 0.68730586401283 0.08912980923337 15.999 > 29 60 O 0.50000000000000 0.09014243407245 0.25000000000000 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.185952329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.056821619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): *1 La 0.32993316869380 0.25000000000000 0.00000000000000 138.905 > 1 2 La 0.32993316869380 0.75000000000000 0.00000000000000 138.905 > 1 3 La 0.32993316869380 0.25000000000000 0.50000000000000 138.905 > 2 4 La 0.32993316869380 0.75000000000000 0.50000000000000 138.905 > 2 5 La 0.17006683130620 0.00000000000000 0.00000000000000 138.905 > 3 6 La 0.17006683130620 0.50000000000000 0.00000000000000 138.905 > 3 7 La 0.17006683130620 0.00000000000000 0.50000000000000 138.905 > 4 8 La 0.17006683130620 0.50000000000000 0.50000000000000 138.905 > 4 *9 La 0.00000000000000 0.25000000000000 0.50000000000000 138.905 > 5 10 La 0.00000000000000 0.75000000000000 0.50000000000000 138.905 > 5 11 La 0.00000000000000 0.25000000000000 0.00000000000000 138.905 > 6 12 La 0.00000000000000 0.75000000000000 0.00000000000000 138.905 > 6 13 La 0.82993316869380 0.00000000000000 0.00000000000000 138.905 > 1 14 La 0.82993316869380 0.50000000000000 0.00000000000000 138.905 > 1 15 La 0.82993316869380 0.00000000000000 0.50000000000000 138.905 > 2 16 La 0.82993316869380 0.50000000000000 0.50000000000000 138.905 > 2 17 La 0.67006683130620 0.25000000000000 0.00000000000000 138.905 > 3 18 La 0.67006683130620 0.75000000000000 0.00000000000000 138.905 > 3 19 La 0.67006683130620 0.25000000000000 0.50000000000000 138.905 > 4 20 La 0.67006683130620 0.75000000000000 0.50000000000000 138.905 > 4 21 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 5 22 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 5 23 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 6 24 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 6 *25 Al 0.37010900446646 0.10223317300387 0.25000000000000 26.982 > 7 26 Al 0.37010900446646 0.60223317300387 0.25000000000000 26.982 > 7 27 Al 0.37010900446646 0.39776682699613 0.75000000000000 26.982 > 8 28 Al 0.37010900446646 0.89776682699613 0.75000000000000 26.982 > 8 29 Al 0.12989099553354 0.35223317300387 0.25000000000000 26.982 > 9 30 Al 0.12989099553354 0.85223317300387 0.25000000000000 26.982 > 9 31 Al 0.12989099553354 0.14776682699613 0.75000000000000 26.982 > 10 32 Al 0.12989099553354 0.64776682699613 0.75000000000000 26.982 > 10 *33 Al 0.00000000000000 0.45212942859835 0.75000000000000 26.982 > 11 34 Al 0.00000000000000 0.95212942859835 0.75000000000000 26.982 > 11 35 Al 0.00000000000000 0.04787057140165 0.25000000000000 26.982 > 12 36 Al 0.00000000000000 0.54787057140165 0.25000000000000 26.982 > 12 37 Al 0.87010900446646 0.35223317300387 0.25000000000000 26.982 > 7 38 Al 0.87010900446646 0.85223317300387 0.25000000000000 26.982 > 7 39 Al 0.87010900446646 0.14776682699613 0.75000000000000 26.982 > 8 40 Al 0.87010900446646 0.64776682699613 0.75000000000000 26.982 > 8 41 Al 0.62989099553354 0.10223317300387 0.25000000000000 26.982 > 9 42 Al 0.62989099553354 0.60223317300387 0.25000000000000 26.982 > 9 43 Al 0.62989099553354 0.39776682699613 0.75000000000000 26.982 > 10 44 Al 0.62989099553354 0.89776682699613 0.75000000000000 26.982 > 10 45 Al 0.50000000000000 0.20212942859835 0.75000000000000 26.982 > 11 46 Al 0.50000000000000 0.70212942859835 0.75000000000000 26.982 > 11 47 Al 0.50000000000000 0.29787057140165 0.25000000000000 26.982 > 12 48 Al 0.50000000000000 0.79787057140165 0.25000000000000 26.982 > 12 *49 O 0.37822094349424 0.27164832721372 0.75000000000000 15.999 > 13 50 O 0.37822094349424 0.77164832721372 0.75000000000000 15.999 > 13 51 O 0.37822094349424 0.22835167278628 0.25000000000000 15.999 > 14 52 O 0.37822094349424 0.72835167278628 0.25000000000000 15.999 > 14 *53 O 0.32301433153557 0.07837713606880 0.09154732041890 15.999 > 15 54 O 0.32301433153557 0.57837713606880 0.09154732041890 15.999 > 15 55 O 0.32301433153557 0.07837713606880 0.40845267958110 15.999 > 16 56 O 0.32301433153557 0.57837713606880 0.40845267958110 15.999 > 16 57 O 0.32301433153557 0.42162286393120 0.90845267958110 15.999 > 17 58 O 0.32301433153557 0.92162286393120 0.90845267958110 15.999 > 17 59 O 0.32301433153557 0.42162286393120 0.59154732041890 15.999 > 18 60 O 0.32301433153557 0.92162286393120 0.59154732041890 15.999 > 18 61 O 0.17698566846443 0.32837713606880 0.09154732041890 15.999 > 19 62 O 0.17698566846443 0.82837713606880 0.09154732041890 15.999 > 19 63 O 0.17698566846443 0.32837713606880 0.40845267958110 15.999 > 20 64 O 0.17698566846443 0.82837713606880 0.40845267958110 15.999 > 20 65 O 0.17698566846443 0.17162286393120 0.90845267958110 15.999 > 21 66 O 0.17698566846443 0.67162286393120 0.90845267958110 15.999 > 21 67 O 0.17698566846443 0.17162286393120 0.59154732041890 15.999 > 22 68 O 0.17698566846443 0.67162286393120 0.59154732041890 15.999 > 22 69 O 0.12177905650576 0.47835167278628 0.25000000000000 15.999 > 23 70 O 0.12177905650576 0.97835167278628 0.25000000000000 15.999 > 23 71 O 0.12177905650576 0.02164832721372 0.75000000000000 15.999 > 24 72 O 0.12177905650576 0.52164832721372 0.75000000000000 15.999 > 24 *73 O 0.00000000000000 0.20492878296377 0.75000000000000 15.999 > 25 74 O 0.00000000000000 0.70492878296377 0.75000000000000 15.999 > 25 *75 O 0.00000000000000 0.40634706799359 0.91087019076663 15.999 > 26 76 O 0.00000000000000 0.90634706799359 0.91087019076663 15.999 > 26 77 O 0.00000000000000 0.40634706799359 0.58912980923337 15.999 > 27 78 O 0.00000000000000 0.90634706799359 0.58912980923337 15.999 > 27 79 O 0.00000000000000 0.09365293200641 0.41087019076663 15.999 > 28 80 O 0.00000000000000 0.59365293200641 0.41087019076663 15.999 > 28 81 O 0.00000000000000 0.09365293200641 0.08912980923337 15.999 > 29 82 O 0.00000000000000 0.59365293200641 0.08912980923337 15.999 > 29 83 O 0.00000000000000 0.29507121703623 0.25000000000000 15.999 > 30 84 O 0.00000000000000 0.79507121703623 0.25000000000000 15.999 > 30 85 O 0.87822094349424 0.02164832721372 0.75000000000000 15.999 > 13 86 O 0.87822094349424 0.52164832721372 0.75000000000000 15.999 > 13 87 O 0.87822094349424 0.47835167278628 0.25000000000000 15.999 > 14 88 O 0.87822094349424 0.97835167278628 0.25000000000000 15.999 > 14 89 O 0.82301433153557 0.32837713606880 0.09154732041890 15.999 > 15 90 O 0.82301433153557 0.82837713606880 0.09154732041890 15.999 > 15 91 O 0.82301433153557 0.32837713606880 0.40845267958110 15.999 > 16 92 O 0.82301433153557 0.82837713606880 0.40845267958110 15.999 > 16 93 O 0.82301433153557 0.17162286393120 0.90845267958110 15.999 > 17 94 O 0.82301433153557 0.67162286393120 0.90845267958110 15.999 > 17 95 O 0.82301433153557 0.17162286393120 0.59154732041890 15.999 > 18 96 O 0.82301433153557 0.67162286393120 0.59154732041890 15.999 > 18 97 O 0.67698566846443 0.07837713606880 0.09154732041890 15.999 > 19 98 O 0.67698566846443 0.57837713606880 0.09154732041890 15.999 > 19 99 O 0.67698566846443 0.07837713606880 0.40845267958110 15.999 > 20 100 O 0.67698566846443 0.57837713606880 0.40845267958110 15.999 > 20 101 O 0.67698566846443 0.42162286393120 0.90845267958110 15.999 > 21 102 O 0.67698566846443 0.92162286393120 0.90845267958110 15.999 > 21 103 O 0.67698566846443 0.42162286393120 0.59154732041890 15.999 > 22 104 O 0.67698566846443 0.92162286393120 0.59154732041890 15.999 > 22 105 O 0.62177905650576 0.22835167278628 0.25000000000000 15.999 > 23 106 O 0.62177905650576 0.72835167278628 0.25000000000000 15.999 > 23 107 O 0.62177905650576 0.27164832721372 0.75000000000000 15.999 > 24 108 O 0.62177905650576 0.77164832721372 0.75000000000000 15.999 > 24 109 O 0.50000000000000 0.45492878296377 0.75000000000000 15.999 > 25 110 O 0.50000000000000 0.95492878296377 0.75000000000000 15.999 > 25 111 O 0.50000000000000 0.15634706799359 0.91087019076663 15.999 > 26 112 O 0.50000000000000 0.65634706799359 0.91087019076663 15.999 > 26 113 O 0.50000000000000 0.15634706799359 0.58912980923337 15.999 > 27 114 O 0.50000000000000 0.65634706799359 0.58912980923337 15.999 > 27 115 O 0.50000000000000 0.34365293200641 0.41087019076663 15.999 > 28 116 O 0.50000000000000 0.84365293200641 0.41087019076663 15.999 > 28 117 O 0.50000000000000 0.34365293200641 0.08912980923337 15.999 > 29 118 O 0.50000000000000 0.84365293200641 0.08912980923337 15.999 > 29 119 O 0.50000000000000 0.04507121703623 0.25000000000000 15.999 > 30 120 O 0.50000000000000 0.54507121703623 0.25000000000000 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6268931 0.0000000 0.0000000 0.0000000 3.6388268 0.0000000 0.0000000 0.0000000 3.5861957 -------------------------- Born effective charges -------------------------- 1 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 2 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 3 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 4 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 5 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 -0.0603214 0.0000000 -0.0592030 3.6246356 6 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 0.0603214 0.0000000 0.0592030 3.6246356 7 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 8 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 9 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 10 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 11 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 12 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 13 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 14 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 15 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 16 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 17 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 18 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 19 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 20 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 21 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 22 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 23 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 24 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 25 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 26 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 27 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 28 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 29 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 30 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.674 Solver_block: 200 / 480 - Time: 0.619 Solver_block: 300 / 480 - Time: 0.612 Solver_block: 400 / 480 - Time: 0.619 Solver_block: 480 / 480 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:04:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:04:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.092976165000000 -3.514205404999999 0.000000000000000 b 6.092976165000000 3.514205404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): 1 La 0.82993316869380 0.82993316869380 0.00000000000000 138.905 2 La 0.82993316869380 0.82993316869380 0.50000000000000 138.905 3 La 0.17006683130620 0.17006683130620 0.00000000000000 138.905 4 La 0.17006683130620 0.17006683130620 0.50000000000000 138.905 5 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 6 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 7 Al 0.16564265845872 0.57457535047419 0.25000000000000 26.982 8 Al 0.57457535047419 0.16564265845872 0.75000000000000 26.982 9 Al 0.42542464952581 0.83435734154128 0.25000000000000 26.982 10 Al 0.83435734154128 0.42542464952581 0.75000000000000 26.982 11 Al 0.09574114280331 0.90425885719669 0.75000000000000 26.982 12 Al 0.90425885719669 0.09574114280331 0.25000000000000 26.982 13 O 0.83492428906679 0.92151759792169 0.75000000000000 15.999 14 O 0.92151759792169 0.83492428906679 0.25000000000000 15.999 15 O 0.16626005939798 0.47976860367316 0.09154732041890 15.999 16 O 0.16626005939798 0.47976860367316 0.40845267958110 15.999 17 O 0.47976860367316 0.16626005939798 0.90845267958110 15.999 18 O 0.47976860367316 0.16626005939798 0.59154732041890 15.999 19 O 0.52023139632684 0.83373994060202 0.09154732041890 15.999 20 O 0.52023139632684 0.83373994060202 0.40845267958110 15.999 21 O 0.83373994060202 0.52023139632684 0.90845267958110 15.999 22 O 0.83373994060202 0.52023139632684 0.59154732041890 15.999 23 O 0.16507571093321 0.07848240207831 0.25000000000000 15.999 24 O 0.07848240207831 0.16507571093321 0.75000000000000 15.999 25 O 0.59014243407245 0.40985756592755 0.75000000000000 15.999 26 O 0.18730586401283 0.81269413598717 0.91087019076663 15.999 27 O 0.18730586401283 0.81269413598717 0.58912980923337 15.999 28 O 0.81269413598717 0.18730586401283 0.41087019076663 15.999 29 O 0.81269413598717 0.18730586401283 0.08912980923337 15.999 30 O 0.40985756592755 0.59014243407245 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.185952329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.056821619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): 1 La 0.32993316869380 0.25000000000000 0.00000000000000 138.905 > 1 2 La 0.32993316869380 0.75000000000000 0.00000000000000 138.905 > 1 3 La 0.32993316869380 0.25000000000000 0.50000000000000 138.905 > 3 4 La 0.32993316869380 0.75000000000000 0.50000000000000 138.905 > 3 5 La 0.17006683130620 0.00000000000000 0.00000000000000 138.905 > 5 6 La 0.17006683130620 0.50000000000000 0.00000000000000 138.905 > 5 7 La 0.17006683130620 0.00000000000000 0.50000000000000 138.905 > 7 8 La 0.17006683130620 0.50000000000000 0.50000000000000 138.905 > 7 9 La 0.00000000000000 0.25000000000000 0.50000000000000 138.905 > 9 10 La 0.00000000000000 0.75000000000000 0.50000000000000 138.905 > 9 11 La 0.00000000000000 0.25000000000000 0.00000000000000 138.905 > 11 12 La 0.00000000000000 0.75000000000000 0.00000000000000 138.905 > 11 13 La 0.82993316869380 0.00000000000000 0.00000000000000 138.905 > 1 14 La 0.82993316869380 0.50000000000000 0.00000000000000 138.905 > 1 15 La 0.82993316869380 0.00000000000000 0.50000000000000 138.905 > 3 16 La 0.82993316869380 0.50000000000000 0.50000000000000 138.905 > 3 17 La 0.67006683130620 0.25000000000000 0.00000000000000 138.905 > 5 18 La 0.67006683130620 0.75000000000000 0.00000000000000 138.905 > 5 19 La 0.67006683130620 0.25000000000000 0.50000000000000 138.905 > 7 20 La 0.67006683130620 0.75000000000000 0.50000000000000 138.905 > 7 21 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 9 22 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 9 23 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 11 24 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 11 25 Al 0.37010900446646 0.10223317300387 0.25000000000000 26.982 > 25 26 Al 0.37010900446646 0.60223317300387 0.25000000000000 26.982 > 25 27 Al 0.37010900446646 0.39776682699613 0.75000000000000 26.982 > 27 28 Al 0.37010900446646 0.89776682699613 0.75000000000000 26.982 > 27 29 Al 0.12989099553354 0.35223317300387 0.25000000000000 26.982 > 29 30 Al 0.12989099553354 0.85223317300387 0.25000000000000 26.982 > 29 31 Al 0.12989099553354 0.14776682699613 0.75000000000000 26.982 > 31 32 Al 0.12989099553354 0.64776682699613 0.75000000000000 26.982 > 31 33 Al 0.00000000000000 0.45212942859835 0.75000000000000 26.982 > 33 34 Al 0.00000000000000 0.95212942859835 0.75000000000000 26.982 > 33 35 Al 0.00000000000000 0.04787057140165 0.25000000000000 26.982 > 35 36 Al 0.00000000000000 0.54787057140165 0.25000000000000 26.982 > 35 37 Al 0.87010900446646 0.35223317300387 0.25000000000000 26.982 > 25 38 Al 0.87010900446646 0.85223317300387 0.25000000000000 26.982 > 25 39 Al 0.87010900446646 0.14776682699613 0.75000000000000 26.982 > 27 40 Al 0.87010900446646 0.64776682699613 0.75000000000000 26.982 > 27 41 Al 0.62989099553354 0.10223317300387 0.25000000000000 26.982 > 29 42 Al 0.62989099553354 0.60223317300387 0.25000000000000 26.982 > 29 43 Al 0.62989099553354 0.39776682699613 0.75000000000000 26.982 > 31 44 Al 0.62989099553354 0.89776682699613 0.75000000000000 26.982 > 31 45 Al 0.50000000000000 0.20212942859835 0.75000000000000 26.982 > 33 46 Al 0.50000000000000 0.70212942859835 0.75000000000000 26.982 > 33 47 Al 0.50000000000000 0.29787057140165 0.25000000000000 26.982 > 35 48 Al 0.50000000000000 0.79787057140165 0.25000000000000 26.982 > 35 49 O 0.37822094349424 0.27164832721372 0.75000000000000 15.999 > 49 50 O 0.37822094349424 0.77164832721372 0.75000000000000 15.999 > 49 51 O 0.37822094349424 0.22835167278628 0.25000000000000 15.999 > 51 52 O 0.37822094349424 0.72835167278628 0.25000000000000 15.999 > 51 53 O 0.32301433153557 0.07837713606880 0.09154732041890 15.999 > 53 54 O 0.32301433153557 0.57837713606880 0.09154732041890 15.999 > 53 55 O 0.32301433153557 0.07837713606880 0.40845267958110 15.999 > 55 56 O 0.32301433153557 0.57837713606880 0.40845267958110 15.999 > 55 57 O 0.32301433153557 0.42162286393120 0.90845267958110 15.999 > 57 58 O 0.32301433153557 0.92162286393120 0.90845267958110 15.999 > 57 59 O 0.32301433153557 0.42162286393120 0.59154732041890 15.999 > 59 60 O 0.32301433153557 0.92162286393120 0.59154732041890 15.999 > 59 61 O 0.17698566846443 0.32837713606880 0.09154732041890 15.999 > 61 62 O 0.17698566846443 0.82837713606880 0.09154732041890 15.999 > 61 63 O 0.17698566846443 0.32837713606880 0.40845267958110 15.999 > 63 64 O 0.17698566846443 0.82837713606880 0.40845267958110 15.999 > 63 65 O 0.17698566846443 0.17162286393120 0.90845267958110 15.999 > 65 66 O 0.17698566846443 0.67162286393120 0.90845267958110 15.999 > 65 67 O 0.17698566846443 0.17162286393120 0.59154732041890 15.999 > 67 68 O 0.17698566846443 0.67162286393120 0.59154732041890 15.999 > 67 69 O 0.12177905650576 0.47835167278628 0.25000000000000 15.999 > 69 70 O 0.12177905650576 0.97835167278628 0.25000000000000 15.999 > 69 71 O 0.12177905650576 0.02164832721372 0.75000000000000 15.999 > 71 72 O 0.12177905650576 0.52164832721372 0.75000000000000 15.999 > 71 73 O 0.00000000000000 0.20492878296377 0.75000000000000 15.999 > 73 74 O 0.00000000000000 0.70492878296377 0.75000000000000 15.999 > 73 75 O 0.00000000000000 0.40634706799359 0.91087019076663 15.999 > 75 76 O 0.00000000000000 0.90634706799359 0.91087019076663 15.999 > 75 77 O 0.00000000000000 0.40634706799359 0.58912980923337 15.999 > 77 78 O 0.00000000000000 0.90634706799359 0.58912980923337 15.999 > 77 79 O 0.00000000000000 0.09365293200641 0.41087019076663 15.999 > 79 80 O 0.00000000000000 0.59365293200641 0.41087019076663 15.999 > 79 81 O 0.00000000000000 0.09365293200641 0.08912980923337 15.999 > 81 82 O 0.00000000000000 0.59365293200641 0.08912980923337 15.999 > 81 83 O 0.00000000000000 0.29507121703623 0.25000000000000 15.999 > 83 84 O 0.00000000000000 0.79507121703623 0.25000000000000 15.999 > 83 85 O 0.87822094349424 0.02164832721372 0.75000000000000 15.999 > 49 86 O 0.87822094349424 0.52164832721372 0.75000000000000 15.999 > 49 87 O 0.87822094349424 0.47835167278628 0.25000000000000 15.999 > 51 88 O 0.87822094349424 0.97835167278628 0.25000000000000 15.999 > 51 89 O 0.82301433153557 0.32837713606880 0.09154732041890 15.999 > 53 90 O 0.82301433153557 0.82837713606880 0.09154732041890 15.999 > 53 91 O 0.82301433153557 0.32837713606880 0.40845267958110 15.999 > 55 92 O 0.82301433153557 0.82837713606880 0.40845267958110 15.999 > 55 93 O 0.82301433153557 0.17162286393120 0.90845267958110 15.999 > 57 94 O 0.82301433153557 0.67162286393120 0.90845267958110 15.999 > 57 95 O 0.82301433153557 0.17162286393120 0.59154732041890 15.999 > 59 96 O 0.82301433153557 0.67162286393120 0.59154732041890 15.999 > 59 97 O 0.67698566846443 0.07837713606880 0.09154732041890 15.999 > 61 98 O 0.67698566846443 0.57837713606880 0.09154732041890 15.999 > 61 99 O 0.67698566846443 0.07837713606880 0.40845267958110 15.999 > 63 100 O 0.67698566846443 0.57837713606880 0.40845267958110 15.999 > 63 101 O 0.67698566846443 0.42162286393120 0.90845267958110 15.999 > 65 102 O 0.67698566846443 0.92162286393120 0.90845267958110 15.999 > 65 103 O 0.67698566846443 0.42162286393120 0.59154732041890 15.999 > 67 104 O 0.67698566846443 0.92162286393120 0.59154732041890 15.999 > 67 105 O 0.62177905650576 0.22835167278628 0.25000000000000 15.999 > 69 106 O 0.62177905650576 0.72835167278628 0.25000000000000 15.999 > 69 107 O 0.62177905650576 0.27164832721372 0.75000000000000 15.999 > 71 108 O 0.62177905650576 0.77164832721372 0.75000000000000 15.999 > 71 109 O 0.50000000000000 0.45492878296377 0.75000000000000 15.999 > 73 110 O 0.50000000000000 0.95492878296377 0.75000000000000 15.999 > 73 111 O 0.50000000000000 0.15634706799359 0.91087019076663 15.999 > 75 112 O 0.50000000000000 0.65634706799359 0.91087019076663 15.999 > 75 113 O 0.50000000000000 0.15634706799359 0.58912980923337 15.999 > 77 114 O 0.50000000000000 0.65634706799359 0.58912980923337 15.999 > 77 115 O 0.50000000000000 0.34365293200641 0.41087019076663 15.999 > 79 116 O 0.50000000000000 0.84365293200641 0.41087019076663 15.999 > 79 117 O 0.50000000000000 0.34365293200641 0.08912980923337 15.999 > 81 118 O 0.50000000000000 0.84365293200641 0.08912980923337 15.999 > 81 119 O 0.50000000000000 0.04507121703623 0.25000000000000 15.999 > 83 120 O 0.50000000000000 0.54507121703623 0.25000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6268931 0.0000000 0.0000000 0.0000000 3.6388268 0.0000000 0.0000000 0.0000000 3.5861957 -------------------------- Born effective charges -------------------------- 1 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 2 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 3 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 4 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 5 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 -0.0603214 0.0000000 -0.0592030 3.6246356 6 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 0.0603214 0.0000000 0.0592030 3.6246356 7 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 8 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 9 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 10 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 11 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 12 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 13 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 14 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 15 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 16 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 17 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 18 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 19 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 20 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 21 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 22 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 23 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 24 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 25 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 26 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 27 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 28 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 29 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 30 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:04:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:04:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.092976165000000 -3.514205404999999 0.000000000000000 b 6.092976165000000 3.514205404999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): 1 La 0.82993316869380 0.82993316869380 0.00000000000000 138.905 2 La 0.82993316869380 0.82993316869380 0.50000000000000 138.905 3 La 0.17006683130620 0.17006683130620 0.00000000000000 138.905 4 La 0.17006683130620 0.17006683130620 0.50000000000000 138.905 5 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 6 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 7 Al 0.16564265845872 0.57457535047419 0.25000000000000 26.982 8 Al 0.57457535047419 0.16564265845872 0.75000000000000 26.982 9 Al 0.42542464952581 0.83435734154128 0.25000000000000 26.982 10 Al 0.83435734154128 0.42542464952581 0.75000000000000 26.982 11 Al 0.09574114280331 0.90425885719669 0.75000000000000 26.982 12 Al 0.90425885719669 0.09574114280331 0.25000000000000 26.982 13 O 0.83492428906679 0.92151759792169 0.75000000000000 15.999 14 O 0.92151759792169 0.83492428906679 0.25000000000000 15.999 15 O 0.16626005939798 0.47976860367316 0.09154732041890 15.999 16 O 0.16626005939798 0.47976860367316 0.40845267958110 15.999 17 O 0.47976860367316 0.16626005939798 0.90845267958110 15.999 18 O 0.47976860367316 0.16626005939798 0.59154732041890 15.999 19 O 0.52023139632684 0.83373994060202 0.09154732041890 15.999 20 O 0.52023139632684 0.83373994060202 0.40845267958110 15.999 21 O 0.83373994060202 0.52023139632684 0.90845267958110 15.999 22 O 0.83373994060202 0.52023139632684 0.59154732041890 15.999 23 O 0.16507571093321 0.07848240207831 0.25000000000000 15.999 24 O 0.07848240207831 0.16507571093321 0.75000000000000 15.999 25 O 0.59014243407245 0.40985756592755 0.75000000000000 15.999 26 O 0.18730586401283 0.81269413598717 0.91087019076663 15.999 27 O 0.18730586401283 0.81269413598717 0.58912980923337 15.999 28 O 0.81269413598717 0.18730586401283 0.41087019076663 15.999 29 O 0.81269413598717 0.18730586401283 0.08912980923337 15.999 30 O 0.40985756592755 0.59014243407245 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.185952329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.056821619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.170536230000000 Atomic positions (fractional): 1 La 0.32993316869380 0.25000000000000 0.00000000000000 138.905 > 1 2 La 0.32993316869380 0.75000000000000 0.00000000000000 138.905 > 1 3 La 0.32993316869380 0.25000000000000 0.50000000000000 138.905 > 3 4 La 0.32993316869380 0.75000000000000 0.50000000000000 138.905 > 3 5 La 0.17006683130620 0.00000000000000 0.00000000000000 138.905 > 5 6 La 0.17006683130620 0.50000000000000 0.00000000000000 138.905 > 5 7 La 0.17006683130620 0.00000000000000 0.50000000000000 138.905 > 7 8 La 0.17006683130620 0.50000000000000 0.50000000000000 138.905 > 7 9 La 0.00000000000000 0.25000000000000 0.50000000000000 138.905 > 9 10 La 0.00000000000000 0.75000000000000 0.50000000000000 138.905 > 9 11 La 0.00000000000000 0.25000000000000 0.00000000000000 138.905 > 11 12 La 0.00000000000000 0.75000000000000 0.00000000000000 138.905 > 11 13 La 0.82993316869380 0.00000000000000 0.00000000000000 138.905 > 1 14 La 0.82993316869380 0.50000000000000 0.00000000000000 138.905 > 1 15 La 0.82993316869380 0.00000000000000 0.50000000000000 138.905 > 3 16 La 0.82993316869380 0.50000000000000 0.50000000000000 138.905 > 3 17 La 0.67006683130620 0.25000000000000 0.00000000000000 138.905 > 5 18 La 0.67006683130620 0.75000000000000 0.00000000000000 138.905 > 5 19 La 0.67006683130620 0.25000000000000 0.50000000000000 138.905 > 7 20 La 0.67006683130620 0.75000000000000 0.50000000000000 138.905 > 7 21 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 9 22 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 9 23 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 11 24 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 11 25 Al 0.37010900446646 0.10223317300387 0.25000000000000 26.982 > 25 26 Al 0.37010900446646 0.60223317300387 0.25000000000000 26.982 > 25 27 Al 0.37010900446646 0.39776682699613 0.75000000000000 26.982 > 27 28 Al 0.37010900446646 0.89776682699613 0.75000000000000 26.982 > 27 29 Al 0.12989099553354 0.35223317300387 0.25000000000000 26.982 > 29 30 Al 0.12989099553354 0.85223317300387 0.25000000000000 26.982 > 29 31 Al 0.12989099553354 0.14776682699613 0.75000000000000 26.982 > 31 32 Al 0.12989099553354 0.64776682699613 0.75000000000000 26.982 > 31 33 Al 0.00000000000000 0.45212942859835 0.75000000000000 26.982 > 33 34 Al 0.00000000000000 0.95212942859835 0.75000000000000 26.982 > 33 35 Al 0.00000000000000 0.04787057140165 0.25000000000000 26.982 > 35 36 Al 0.00000000000000 0.54787057140165 0.25000000000000 26.982 > 35 37 Al 0.87010900446646 0.35223317300387 0.25000000000000 26.982 > 25 38 Al 0.87010900446646 0.85223317300387 0.25000000000000 26.982 > 25 39 Al 0.87010900446646 0.14776682699613 0.75000000000000 26.982 > 27 40 Al 0.87010900446646 0.64776682699613 0.75000000000000 26.982 > 27 41 Al 0.62989099553354 0.10223317300387 0.25000000000000 26.982 > 29 42 Al 0.62989099553354 0.60223317300387 0.25000000000000 26.982 > 29 43 Al 0.62989099553354 0.39776682699613 0.75000000000000 26.982 > 31 44 Al 0.62989099553354 0.89776682699613 0.75000000000000 26.982 > 31 45 Al 0.50000000000000 0.20212942859835 0.75000000000000 26.982 > 33 46 Al 0.50000000000000 0.70212942859835 0.75000000000000 26.982 > 33 47 Al 0.50000000000000 0.29787057140165 0.25000000000000 26.982 > 35 48 Al 0.50000000000000 0.79787057140165 0.25000000000000 26.982 > 35 49 O 0.37822094349424 0.27164832721372 0.75000000000000 15.999 > 49 50 O 0.37822094349424 0.77164832721372 0.75000000000000 15.999 > 49 51 O 0.37822094349424 0.22835167278628 0.25000000000000 15.999 > 51 52 O 0.37822094349424 0.72835167278628 0.25000000000000 15.999 > 51 53 O 0.32301433153557 0.07837713606880 0.09154732041890 15.999 > 53 54 O 0.32301433153557 0.57837713606880 0.09154732041890 15.999 > 53 55 O 0.32301433153557 0.07837713606880 0.40845267958110 15.999 > 55 56 O 0.32301433153557 0.57837713606880 0.40845267958110 15.999 > 55 57 O 0.32301433153557 0.42162286393120 0.90845267958110 15.999 > 57 58 O 0.32301433153557 0.92162286393120 0.90845267958110 15.999 > 57 59 O 0.32301433153557 0.42162286393120 0.59154732041890 15.999 > 59 60 O 0.32301433153557 0.92162286393120 0.59154732041890 15.999 > 59 61 O 0.17698566846443 0.32837713606880 0.09154732041890 15.999 > 61 62 O 0.17698566846443 0.82837713606880 0.09154732041890 15.999 > 61 63 O 0.17698566846443 0.32837713606880 0.40845267958110 15.999 > 63 64 O 0.17698566846443 0.82837713606880 0.40845267958110 15.999 > 63 65 O 0.17698566846443 0.17162286393120 0.90845267958110 15.999 > 65 66 O 0.17698566846443 0.67162286393120 0.90845267958110 15.999 > 65 67 O 0.17698566846443 0.17162286393120 0.59154732041890 15.999 > 67 68 O 0.17698566846443 0.67162286393120 0.59154732041890 15.999 > 67 69 O 0.12177905650576 0.47835167278628 0.25000000000000 15.999 > 69 70 O 0.12177905650576 0.97835167278628 0.25000000000000 15.999 > 69 71 O 0.12177905650576 0.02164832721372 0.75000000000000 15.999 > 71 72 O 0.12177905650576 0.52164832721372 0.75000000000000 15.999 > 71 73 O 0.00000000000000 0.20492878296377 0.75000000000000 15.999 > 73 74 O 0.00000000000000 0.70492878296377 0.75000000000000 15.999 > 73 75 O 0.00000000000000 0.40634706799359 0.91087019076663 15.999 > 75 76 O 0.00000000000000 0.90634706799359 0.91087019076663 15.999 > 75 77 O 0.00000000000000 0.40634706799359 0.58912980923337 15.999 > 77 78 O 0.00000000000000 0.90634706799359 0.58912980923337 15.999 > 77 79 O 0.00000000000000 0.09365293200641 0.41087019076663 15.999 > 79 80 O 0.00000000000000 0.59365293200641 0.41087019076663 15.999 > 79 81 O 0.00000000000000 0.09365293200641 0.08912980923337 15.999 > 81 82 O 0.00000000000000 0.59365293200641 0.08912980923337 15.999 > 81 83 O 0.00000000000000 0.29507121703623 0.25000000000000 15.999 > 83 84 O 0.00000000000000 0.79507121703623 0.25000000000000 15.999 > 83 85 O 0.87822094349424 0.02164832721372 0.75000000000000 15.999 > 49 86 O 0.87822094349424 0.52164832721372 0.75000000000000 15.999 > 49 87 O 0.87822094349424 0.47835167278628 0.25000000000000 15.999 > 51 88 O 0.87822094349424 0.97835167278628 0.25000000000000 15.999 > 51 89 O 0.82301433153557 0.32837713606880 0.09154732041890 15.999 > 53 90 O 0.82301433153557 0.82837713606880 0.09154732041890 15.999 > 53 91 O 0.82301433153557 0.32837713606880 0.40845267958110 15.999 > 55 92 O 0.82301433153557 0.82837713606880 0.40845267958110 15.999 > 55 93 O 0.82301433153557 0.17162286393120 0.90845267958110 15.999 > 57 94 O 0.82301433153557 0.67162286393120 0.90845267958110 15.999 > 57 95 O 0.82301433153557 0.17162286393120 0.59154732041890 15.999 > 59 96 O 0.82301433153557 0.67162286393120 0.59154732041890 15.999 > 59 97 O 0.67698566846443 0.07837713606880 0.09154732041890 15.999 > 61 98 O 0.67698566846443 0.57837713606880 0.09154732041890 15.999 > 61 99 O 0.67698566846443 0.07837713606880 0.40845267958110 15.999 > 63 100 O 0.67698566846443 0.57837713606880 0.40845267958110 15.999 > 63 101 O 0.67698566846443 0.42162286393120 0.90845267958110 15.999 > 65 102 O 0.67698566846443 0.92162286393120 0.90845267958110 15.999 > 65 103 O 0.67698566846443 0.42162286393120 0.59154732041890 15.999 > 67 104 O 0.67698566846443 0.92162286393120 0.59154732041890 15.999 > 67 105 O 0.62177905650576 0.22835167278628 0.25000000000000 15.999 > 69 106 O 0.62177905650576 0.72835167278628 0.25000000000000 15.999 > 69 107 O 0.62177905650576 0.27164832721372 0.75000000000000 15.999 > 71 108 O 0.62177905650576 0.77164832721372 0.75000000000000 15.999 > 71 109 O 0.50000000000000 0.45492878296377 0.75000000000000 15.999 > 73 110 O 0.50000000000000 0.95492878296377 0.75000000000000 15.999 > 73 111 O 0.50000000000000 0.15634706799359 0.91087019076663 15.999 > 75 112 O 0.50000000000000 0.65634706799359 0.91087019076663 15.999 > 75 113 O 0.50000000000000 0.15634706799359 0.58912980923337 15.999 > 77 114 O 0.50000000000000 0.65634706799359 0.58912980923337 15.999 > 77 115 O 0.50000000000000 0.34365293200641 0.41087019076663 15.999 > 79 116 O 0.50000000000000 0.84365293200641 0.41087019076663 15.999 > 79 117 O 0.50000000000000 0.34365293200641 0.08912980923337 15.999 > 81 118 O 0.50000000000000 0.84365293200641 0.08912980923337 15.999 > 81 119 O 0.50000000000000 0.04507121703623 0.25000000000000 15.999 > 83 120 O 0.50000000000000 0.54507121703623 0.25000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6268931 0.0000000 0.0000000 0.0000000 3.6388268 0.0000000 0.0000000 0.0000000 3.5861957 -------------------------- Born effective charges -------------------------- 1 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 2 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 3 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 -0.0010551 0.0000000 -0.0146117 3.6149525 4 La 4.3403778 0.0000000 0.0000000 0.0000000 4.0748795 0.0010551 0.0000000 0.0146117 3.6149525 5 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 -0.0603214 0.0000000 -0.0592030 3.6246356 6 La 3.8925077 0.0000000 0.0000000 0.0000000 4.5371854 0.0603214 0.0000000 0.0592030 3.6246356 7 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 8 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 9 Al 2.1906320 0.0660015 0.0000000 0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 10 Al 2.1906320 -0.0660015 0.0000000 -0.0604295 2.2585805 0.0000000 0.0000000 0.0000000 2.8651379 11 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 12 Al 2.3211620 0.0000000 0.0000000 0.0000000 2.1800896 0.0000000 0.0000000 0.0000000 2.9023320 13 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 14 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 15 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 16 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 17 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 18 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 19 O -2.4416015 0.2061229 0.3560491 0.2733795 -2.1924026 -0.2119334 0.3737818 -0.2157408 -1.9713490 20 O -2.4416015 0.2061229 -0.3560491 0.2733795 -2.1924026 0.2119334 -0.3737818 0.2157408 -1.9713490 21 O -2.4416015 -0.2061229 -0.3560491 -0.2733795 -2.1924026 -0.2119334 -0.3737818 -0.2157408 -1.9713490 22 O -2.4416015 -0.2061229 0.3560491 -0.2733795 -2.1924026 0.2119334 0.3737818 0.2157408 -1.9713490 23 O -1.6154412 0.2973480 0.0000000 0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 24 O -1.6154412 -0.2973480 0.0000000 -0.3001431 -1.9603537 0.0000000 0.0000000 0.0000000 -2.4960962 25 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 26 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 27 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 28 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 -0.4105135 0.0000000 -0.4262195 -2.0387850 29 O -2.0752687 0.0000000 0.0000000 0.0000000 -2.6290810 0.4105135 0.0000000 0.4262195 -2.0387850 30 O -2.1278632 0.0000000 0.0000000 0.0000000 -1.4357153 0.0000000 0.0000000 0.0000000 -2.5319901 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.55, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 2.480 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.282 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.330 ( 0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 15.144 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 0.000) 0.000 18.013 ( 0.000 0.000 0.000) 0.000 18.141 ( 0.000 0.000 0.000) 0.000 18.145 ( 0.000 0.000 0.000) 0.000 19.997 ( 0.000 0.000 0.000) 0.000 20.717 ( 0.000 0.000 0.000) 0.000 20.835 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 22.128 ( 0.000 0.000 0.000) 0.000 22.361 ( 0.000 0.000 0.000) 0.000 23.054 ( 0.000 0.000 0.000) 0.000 23.730 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 23.799 ( 0.000 0.000 0.000) 0.000 24.001 ( 0.000 0.000 0.000) 0.000 24.127 ( 0.000 0.000 0.000) 0.000 24.200 ( 0.000 0.000 0.000) 0.000 24.200 ( 0.000 0.000 0.000) 0.000 24.264 ( 0.000 0.000 0.000) 0.000 24.351 ( 0.000 0.000 0.000) 0.000 24.576 ( 0.000 0.000 0.000) 0.000 26.783 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 16.222 -25.926 0.000) 30.583 0.806 ( 19.537 -33.046 0.000) 38.390 1.168 ( 25.355 -48.848 0.000) 55.037 2.495 ( 4.484 0.973 0.000) 4.588 2.593 ( -0.037 -8.912 0.000) 8.912 3.262 ( -2.394 0.287 0.000) 2.411 3.300 ( 1.064 -0.121 0.000) 1.071 3.301 ( -2.225 -0.624 0.000) 2.310 3.335 ( 1.285 1.705 0.000) 2.135 3.558 ( -2.813 11.531 0.000) 11.870 3.683 ( 2.383 16.693 0.000) 16.863 3.986 ( -9.641 -9.074 0.000) 13.240 4.146 ( -4.210 -1.184 0.000) 4.373 4.169 ( 4.821 -3.526 0.000) 5.973 4.245 ( -7.325 13.168 0.000) 15.068 4.274 ( 3.368 12.731 0.000) 13.168 4.566 ( -5.262 9.259 0.000) 10.649 4.729 ( 2.580 -12.041 0.000) 12.315 4.893 ( -2.929 6.315 0.000) 6.961 4.983 ( 8.319 -8.660 0.000) 12.008 4.995 ( -9.090 4.174 0.000) 10.002 5.072 ( 0.662 3.860 0.000) 3.917 5.478 ( 5.181 1.906 0.000) 5.520 5.648 ( -4.088 -9.228 0.000) 10.092 5.793 ( -2.843 4.442 0.000) 5.274 5.817 ( -1.790 -6.651 0.000) 6.888 5.886 ( 1.081 -5.584 0.000) 5.687 6.232 ( 6.230 17.667 0.000) 18.733 6.366 ( -1.122 1.269 0.000) 1.693 6.677 ( -2.171 -2.333 0.000) 3.187 6.836 ( -10.855 -2.884 0.000) 11.232 6.995 ( -4.063 -3.132 0.000) 5.130 7.146 ( 1.519 9.292 0.000) 9.416 7.166 ( 0.184 -3.394 0.000) 3.399 7.239 ( 0.245 5.720 0.000) 5.725 7.437 ( -2.962 12.143 0.000) 12.499 7.507 ( 1.422 -2.352 0.000) 2.749 7.542 ( 9.930 -0.767 0.000) 9.959 7.882 ( -4.289 -8.850 0.000) 9.834 8.182 ( -6.778 24.994 0.000) 25.897 8.223 ( 6.240 4.680 0.000) 7.800 8.531 ( -10.028 -16.398 0.000) 19.222 8.756 ( 6.898 -11.818 0.000) 13.683 8.819 ( 13.168 -14.027 0.000) 19.240 9.090 ( -9.603 8.424 0.000) 12.775 9.159 ( 0.839 7.619 0.000) 7.665 9.348 ( 5.609 1.193 0.000) 5.734 9.758 ( 4.268 -24.765 0.000) 25.130 10.012 ( 19.217 -5.596 0.000) 20.015 10.198 ( 0.041 -0.266 0.000) 0.269 10.292 ( 3.719 -4.308 0.000) 5.691 10.439 ( -1.928 -8.912 0.000) 9.118 10.930 ( 1.553 -2.368 0.000) 2.832 11.516 ( -6.888 1.232 0.000) 6.998 11.578 ( -2.066 3.720 0.000) 4.255 11.887 ( -13.194 1.282 0.000) 13.256 11.978 ( -9.938 -0.040 0.000) 9.938 12.418 ( 12.871 16.526 0.000) 20.947 12.548 ( 0.408 -2.842 0.000) 2.871 12.716 ( -4.525 7.244 0.000) 8.541 12.803 ( 1.594 -1.100 0.000) 1.936 12.965 ( 3.461 -2.895 0.000) 4.512 14.100 ( -1.269 16.800 0.000) 16.848 14.381 ( 1.912 -4.190 0.000) 4.606 14.473 ( 2.519 -4.243 0.000) 4.934 14.696 ( -21.338 3.209 0.000) 21.578 14.958 ( -2.642 -12.161 0.000) 12.444 15.280 ( 19.102 0.768 0.000) 19.118 18.009 ( -1.609 -0.500 0.000) 1.684 18.087 ( -4.826 -0.728 0.000) 4.881 18.186 ( 1.713 -3.603 0.000) 3.990 18.617 ( 7.255 10.185 0.000) 12.504 20.531 ( -12.950 7.326 0.000) 14.878 20.781 ( -12.536 -4.564 0.000) 13.341 20.865 ( -23.108 -18.423 0.000) 29.553 21.915 ( 22.817 16.054 0.000) 27.899 22.255 ( 18.267 9.576 0.000) 20.625 22.426 ( -0.474 -6.355 0.000) 6.372 23.074 ( 0.096 -2.126 0.000) 2.128 23.727 ( 1.401 1.249 0.000) 1.877 23.796 ( 0.070 0.055 0.000) 0.089 23.803 ( 0.139 -0.247 0.000) 0.284 24.009 ( -0.382 -1.134 0.000) 1.196 24.210 ( 0.142 -1.027 0.000) 1.037 24.250 ( -2.713 -3.623 0.000) 4.526 24.268 ( 2.697 -5.130 0.000) 5.796 24.303 ( 0.345 4.392 0.000) 4.405 24.651 ( 0.634 -7.022 0.000) 7.051 24.998 ( 0.013 1.840 0.000) 1.840 26.637 ( -6.477 12.043 0.000) 13.674 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 15.096 -25.109 0.000) 29.298 1.558 ( 18.169 -29.270 0.000) 34.451 2.208 ( 20.415 -39.618 0.000) 44.569 2.536 ( 5.825 0.527 0.000) 5.849 2.781 ( -0.416 -11.382 0.000) 11.389 3.145 ( -3.636 15.412 0.000) 15.835 3.214 ( -2.435 2.355 0.000) 3.387 3.271 ( -2.552 5.093 0.000) 5.697 3.350 ( -2.276 -2.251 0.000) 3.201 3.373 ( -2.018 4.385 0.000) 4.827 3.470 ( 0.693 5.923 0.000) 5.963 3.798 ( -11.103 17.914 0.000) 21.075 3.886 ( -7.720 6.831 0.000) 10.308 4.167 ( -0.219 13.464 0.000) 13.466 4.186 ( -0.046 1.800 0.000) 1.800 4.214 ( -3.322 6.925 0.000) 7.680 4.225 ( 1.264 1.608 0.000) 2.045 4.793 ( -11.839 1.423 0.000) 11.924 4.865 ( -3.759 -0.153 0.000) 3.762 5.030 ( 8.709 -15.068 0.000) 17.404 5.031 ( 3.117 4.229 0.000) 5.253 5.308 ( 11.998 -13.858 0.000) 18.331 5.525 ( 4.094 -0.759 0.000) 4.163 5.620 ( -6.161 3.501 0.000) 7.086 5.676 ( -3.518 3.658 0.000) 5.075 5.931 ( -2.982 3.913 0.000) 4.920 6.029 ( 6.766 0.054 0.000) 6.766 6.037 ( 1.161 -9.387 0.000) 9.458 6.311 ( -5.016 1.526 0.000) 5.242 6.607 ( -7.054 3.074 0.000) 7.694 6.843 ( -6.887 -3.402 0.000) 7.682 6.965 ( 0.936 7.759 0.000) 7.815 7.012 ( 0.620 1.506 0.000) 1.628 7.060 ( -11.457 -0.925 0.000) 11.495 7.219 ( 4.745 12.920 0.000) 13.764 7.254 ( 5.591 2.133 0.000) 5.984 7.592 ( 3.130 -2.681 0.000) 4.121 7.608 ( -1.261 2.699 0.000) 2.979 7.778 ( 4.200 10.447 0.000) 11.260 7.982 ( -8.987 -6.368 0.000) 11.015 8.219 ( 4.302 1.642 0.000) 4.605 8.825 ( 0.193 -18.512 0.000) 18.513 8.829 ( -8.597 9.218 0.000) 12.604 8.986 ( 8.207 -6.919 0.000) 10.734 8.992 ( 0.010 11.145 0.000) 11.145 9.279 ( 11.701 -17.266 0.000) 20.857 9.410 ( 2.642 -5.222 0.000) 5.852 10.077 ( 6.722 -6.636 0.000) 9.446 10.198 ( -1.685 -1.365 0.000) 2.168 10.335 ( 13.293 -6.948 0.000) 14.999 10.463 ( 6.957 -7.834 0.000) 10.477 10.625 ( -0.036 -11.726 0.000) 11.727 11.071 ( 2.418 -11.951 0.000) 12.193 11.398 ( -4.905 5.401 0.000) 7.296 11.455 ( -1.579 6.616 0.000) 6.802 11.689 ( -7.341 8.333 0.000) 11.105 11.841 ( -11.001 2.576 0.000) 11.298 12.203 ( -1.214 13.989 0.000) 14.042 12.522 ( -4.057 8.537 0.000) 9.453 12.623 ( 2.140 -3.758 0.000) 4.325 12.859 ( 2.972 -2.479 0.000) 3.870 13.032 ( 2.012 -1.398 0.000) 2.450 13.738 ( -2.791 20.160 0.000) 20.352 14.397 ( -21.110 5.058 0.000) 21.707 14.513 ( 3.446 -7.203 0.000) 7.985 14.609 ( 4.035 -6.611 0.000) 7.745 15.149 ( -3.975 -12.281 0.000) 12.908 15.446 ( 17.115 1.864 0.000) 17.216 17.974 ( -5.230 1.440 0.000) 5.424 18.058 ( 0.890 0.578 0.000) 1.061 18.291 ( 1.615 -5.374 0.000) 5.611 18.478 ( 1.429 9.394 0.000) 9.502 20.237 ( -5.488 13.677 0.000) 14.737 20.720 ( -4.466 0.955 0.000) 4.567 20.967 ( -13.575 -13.832 0.000) 19.380 21.836 ( 5.589 8.928 0.000) 10.533 22.288 ( 12.741 4.945 0.000) 13.667 22.540 ( -0.543 -6.363 0.000) 6.386 23.129 ( 0.136 -3.753 0.000) 3.756 23.710 ( 2.025 2.651 0.000) 3.336 23.797 ( 0.029 -0.111 0.000) 0.115 23.809 ( 0.172 -0.185 0.000) 0.253 24.033 ( -0.800 -2.241 0.000) 2.379 24.228 ( 0.851 4.500 0.000) 4.579 24.237 ( 0.381 -1.601 0.000) 1.645 24.293 ( -0.121 -2.832 0.000) 2.835 24.413 ( 4.005 -6.099 0.000) 7.296 24.816 ( 1.750 -10.050 0.000) 10.201 24.953 ( -1.636 2.203 0.000) 2.744 26.264 ( -9.970 19.041 0.000) 21.493 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 12.996 -22.508 0.000) 25.991 2.201 ( 14.976 -23.380 0.000) 27.766 2.587 ( 4.009 -0.250 0.000) 4.017 2.778 ( -5.730 10.598 0.000) 12.048 2.846 ( 5.384 -3.596 0.000) 6.474 2.933 ( -1.962 -4.136 0.000) 4.578 3.077 ( -5.211 9.016 0.000) 10.414 3.172 ( -1.390 -1.124 0.000) 1.788 3.272 ( -6.887 6.804 0.000) 9.681 3.325 ( -1.301 1.331 0.000) 1.861 3.421 ( -1.216 3.305 0.000) 3.522 3.590 ( 5.063 -8.997 0.000) 10.324 3.719 ( 0.654 6.137 0.000) 6.171 3.913 ( 1.561 7.199 0.000) 7.366 4.032 ( -7.839 7.350 0.000) 10.746 4.187 ( -0.875 1.502 0.000) 1.738 4.252 ( 1.433 -0.968 0.000) 1.729 4.605 ( -12.466 4.741 0.000) 13.337 4.863 ( 1.294 0.341 0.000) 1.338 4.982 ( 0.127 2.980 0.000) 2.983 5.384 ( 10.091 -11.548 0.000) 15.336 5.465 ( -3.578 5.835 0.000) 6.845 5.522 ( 0.145 0.116 0.000) 0.186 5.567 ( 1.115 -0.067 0.000) 1.117 5.731 ( 5.425 -10.441 0.000) 11.767 5.824 ( 2.224 2.971 0.000) 3.711 6.165 ( 1.839 -4.973 0.000) 5.302 6.172 ( -4.740 0.293 0.000) 4.749 6.225 ( -4.601 -3.942 0.000) 6.059 6.478 ( 3.723 8.844 0.000) 9.595 6.778 ( -6.891 -3.673 0.000) 7.808 6.931 ( -3.596 -0.021 0.000) 3.597 6.966 ( 1.707 1.062 0.000) 2.011 7.036 ( -6.297 -3.030 0.000) 6.988 7.130 ( 9.615 4.959 0.000) 10.818 7.229 ( 0.872 3.933 0.000) 4.029 7.506 ( 0.939 3.077 0.000) 3.217 7.642 ( 1.864 -0.239 0.000) 1.879 7.713 ( -5.760 2.054 0.000) 6.115 7.995 ( -0.856 -0.793 0.000) 1.167 8.246 ( 2.205 -0.430 0.000) 2.247 8.629 ( -8.301 2.066 0.000) 8.555 8.785 ( 1.261 12.030 0.000) 12.096 9.080 ( 2.938 -7.136 0.000) 7.717 9.169 ( 3.771 -5.900 0.000) 7.002 9.429 ( 1.621 -1.323 0.000) 2.092 9.747 ( 7.348 -14.529 0.000) 16.281 10.193 ( 4.883 -0.605 0.000) 4.920 10.259 ( 1.716 -7.643 0.000) 7.833 10.494 ( 6.034 -1.212 0.000) 6.155 10.648 ( 3.524 -3.110 0.000) 4.699 10.814 ( 1.074 -8.062 0.000) 8.133 11.236 ( -4.054 5.109 0.000) 6.522 11.340 ( 1.240 -12.927 0.000) 12.987 11.358 ( 0.815 4.580 0.000) 4.652 11.489 ( -4.209 4.366 0.000) 6.064 11.687 ( -6.565 4.207 0.000) 7.797 11.914 ( -7.038 12.609 0.000) 14.441 12.365 ( -1.596 5.189 0.000) 5.429 12.715 ( 3.916 -2.903 0.000) 4.875 12.936 ( 2.086 -1.905 0.000) 2.825 13.060 ( 0.704 -0.335 0.000) 0.780 13.386 ( -1.642 14.493 0.000) 14.586 14.113 ( -15.221 4.798 0.000) 15.959 14.680 ( 3.068 -6.638 0.000) 7.312 14.756 ( 3.139 -4.739 0.000) 5.684 15.294 ( -3.292 -7.805 0.000) 8.471 15.557 ( 10.469 1.761 0.000) 10.616 17.876 ( -4.074 2.933 0.000) 5.020 18.076 ( 2.120 -0.485 0.000) 2.175 18.280 ( -3.659 5.047 0.000) 6.234 18.448 ( 3.661 -2.875 0.000) 4.654 19.978 ( -2.738 9.573 0.000) 9.956 20.666 ( -2.165 1.074 0.000) 2.417 21.067 ( -6.866 -8.735 0.000) 11.110 21.732 ( 2.067 6.413 0.000) 6.737 22.329 ( 6.604 1.920 0.000) 6.877 22.626 ( -0.441 -3.604 0.000) 3.631 23.200 ( 0.095 -3.655 0.000) 3.657 23.675 ( 1.433 3.011 0.000) 3.334 23.800 ( -0.021 -0.246 0.000) 0.246 23.812 ( 0.135 0.027 0.000) 0.138 24.070 ( -1.270 -3.063 0.000) 3.316 24.165 ( 1.411 3.926 0.000) 4.172 24.268 ( 0.339 -1.250 0.000) 1.295 24.339 ( 0.587 -1.846 0.000) 1.937 24.540 ( 2.679 -3.880 0.000) 4.715 24.895 ( -1.725 1.982 0.000) 2.628 25.047 ( 3.794 -12.837 0.000) 13.386 25.808 ( -9.589 19.588 0.000) 21.809 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 0.000 0.000) 0.000 2.556 ( 0.000 -0.000 0.000) 0.000 2.603 ( -0.000 -0.000 0.000) 0.000 2.630 ( 0.000 -0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.808 ( -0.000 -0.000 0.000) 0.000 2.989 ( 0.000 -0.000 0.000) 0.000 3.161 ( 0.000 -0.000 0.000) 0.000 3.213 ( 0.000 -0.000 0.000) 0.000 3.293 ( 0.000 -0.000 0.000) 0.000 3.410 ( 0.000 -0.000 0.000) 0.000 3.688 ( -0.000 -0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 -0.000 0.000) 0.000 4.019 ( -0.000 0.000 0.000) 0.000 4.075 ( 0.000 -0.000 0.000) 0.000 4.269 ( 0.000 -0.000 0.000) 0.000 4.457 ( 0.000 -0.000 0.000) 0.000 4.867 ( 0.000 -0.000 0.000) 0.000 4.950 ( 0.000 -0.000 0.000) 0.000 5.385 ( -0.000 -0.000 0.000) 0.000 5.494 ( 0.000 -0.000 0.000) 0.000 5.575 ( 0.000 -0.000 0.000) 0.000 5.580 ( 0.000 -0.000 0.000) 0.000 5.822 ( 0.000 -0.000 0.000) 0.000 5.889 ( 0.000 -0.000 0.000) 0.000 6.067 ( 0.000 -0.000 0.000) 0.000 6.219 ( 0.000 -0.000 0.000) 0.000 6.267 ( 0.000 -0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 -0.000 0.000) 0.000 6.905 ( 0.000 -0.000 0.000) 0.000 7.000 ( 0.000 -0.000 0.000) 0.000 7.013 ( -0.000 -0.000 0.000) 0.000 7.152 ( 0.000 -0.000 0.000) 0.000 7.181 ( 0.000 -0.000 0.000) 0.000 7.547 ( 0.000 -0.000 0.000) 0.000 7.592 ( -0.000 -0.000 0.000) 0.000 7.651 ( 0.000 -0.000 0.000) 0.000 7.991 ( 0.000 -0.000 0.000) 0.000 8.264 ( 0.000 -0.000 0.000) 0.000 8.622 ( -0.000 -0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 9.155 ( 0.000 -0.000 0.000) 0.000 9.241 ( 0.000 -0.000 0.000) 0.000 9.448 ( 0.000 -0.000 0.000) 0.000 9.909 ( 0.000 -0.000 0.000) 0.000 10.220 ( 0.000 -0.000 0.000) 0.000 10.487 ( 0.000 -0.000 0.000) 0.000 10.533 ( 0.000 -0.000 0.000) 0.000 10.558 ( -0.000 0.000 0.000) 0.000 10.898 ( 0.000 -0.000 0.000) 0.000 11.180 ( 0.000 -0.000 0.000) 0.000 11.314 ( 0.000 -0.000 0.000) 0.000 11.473 ( 0.000 -0.000 0.000) 0.000 11.526 ( 0.000 -0.000 0.000) 0.000 11.541 ( 0.000 -0.000 0.000) 0.000 11.725 ( 0.000 -0.000 0.000) 0.000 12.312 ( 0.000 -0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 -0.000 0.000) 0.000 13.065 ( 0.000 -0.000 0.000) 0.000 13.258 ( 0.000 -0.000 0.000) 0.000 13.976 ( 0.000 -0.000 0.000) 0.000 14.766 ( 0.000 -0.000 0.000) 0.000 14.815 ( 0.000 -0.000 0.000) 0.000 15.348 ( -0.000 -0.000 0.000) 0.000 15.595 ( 0.000 -0.000 0.000) 0.000 17.823 ( 0.000 -0.000 0.000) 0.000 18.102 ( 0.000 -0.000 0.000) 0.000 18.198 ( 0.000 -0.000 0.000) 0.000 18.503 ( 0.000 -0.000 0.000) 0.000 19.874 ( 0.000 -0.000 0.000) 0.000 20.644 ( 0.000 -0.000 0.000) 0.000 21.114 ( 0.000 -0.000 0.000) 0.000 21.680 ( 0.000 -0.000 0.000) 0.000 22.347 ( 0.000 -0.000 0.000) 0.000 22.656 ( 0.000 -0.000 0.000) 0.000 23.238 ( 0.000 -0.000 0.000) 0.000 23.651 ( 0.000 -0.000 0.000) 0.000 23.803 ( 0.000 -0.000 0.000) 0.000 23.812 ( 0.000 -0.000 0.000) 0.000 24.110 ( 0.000 0.000 0.000) 0.000 24.119 ( 0.000 -0.000 0.000) 0.000 24.282 ( 0.000 -0.000 0.000) 0.000 24.361 ( 0.000 -0.000 0.000) 0.000 24.591 ( 0.000 -0.000 0.000) 0.000 24.864 ( 0.000 -0.000 0.000) 0.000 25.299 ( 0.000 -0.000 0.000) 0.000 25.461 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/63) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 30.305 0.000 0.000) 30.305 0.796 ( 37.041 0.000 0.000) 37.041 1.148 ( 54.686 0.000 0.000) 54.686 2.506 ( 0.220 0.000 0.000) 0.220 2.584 ( 8.880 0.000 0.000) 8.880 3.237 ( -2.804 -0.000 0.000) 2.804 3.258 ( -3.109 -0.000 0.000) 3.109 3.302 ( 0.096 0.000 0.000) 0.096 3.368 ( 1.507 0.000 0.000) 1.507 3.707 ( -7.900 -0.000 0.000) 7.900 3.708 ( -9.110 -0.000 0.000) 9.110 3.941 ( -14.539 -0.000 0.000) 14.539 3.969 ( -11.340 -0.000 0.000) 11.340 4.202 ( 8.144 0.000 0.000) 8.144 4.224 ( -4.857 -0.000 0.000) 4.857 4.476 ( -3.846 -0.000 0.000) 3.846 4.502 ( 0.100 0.000 0.000) 0.100 4.563 ( 6.285 0.000 0.000) 6.285 4.839 ( -14.794 -0.000 0.000) 14.794 4.987 ( -12.586 -0.000 0.000) 12.586 5.033 ( 15.090 0.000 0.000) 15.090 5.320 ( 9.952 0.000 0.000) 9.952 5.496 ( 7.865 0.000 0.000) 7.865 5.536 ( 3.889 0.000 0.000) 3.889 5.711 ( -4.152 -0.000 0.000) 4.152 5.822 ( -0.497 -0.000 0.000) 0.497 5.824 ( -2.757 -0.000 0.000) 2.757 6.376 ( -0.069 -0.000 0.000) 0.069 6.605 ( -12.532 -0.000 0.000) 12.532 6.627 ( -19.342 -0.000 0.000) 19.342 6.654 ( 0.250 0.000 0.000) 0.250 6.796 ( 0.556 0.000 0.000) 0.556 7.081 ( 4.286 0.000 0.000) 4.286 7.228 ( -3.408 -0.000 0.000) 3.408 7.281 ( -1.812 -0.000 0.000) 1.812 7.477 ( -11.299 -0.000 0.000) 11.299 7.581 ( 5.998 0.000 0.000) 5.998 7.692 ( -4.628 -0.000 0.000) 4.628 7.711 ( 16.321 0.000 0.000) 16.321 8.157 ( -9.051 -0.000 0.000) 9.051 8.407 ( 4.282 0.000 0.000) 4.282 8.428 ( -7.329 -0.000 0.000) 7.329 8.700 ( 20.554 0.000 0.000) 20.554 8.870 ( 14.234 0.000 0.000) 14.234 8.957 ( -18.072 -0.000 0.000) 18.072 9.256 ( 0.429 0.000 0.000) 0.429 9.562 ( 7.770 0.000 0.000) 7.770 9.581 ( 11.367 0.000 0.000) 11.367 10.225 ( -1.421 -0.000 0.000) 1.421 10.241 ( 32.641 0.000 0.000) 32.641 10.248 ( 6.287 0.000 0.000) 6.287 10.322 ( -4.289 -0.000 0.000) 4.289 10.943 ( 3.303 0.000 0.000) 3.303 11.347 ( -2.585 -0.000 0.000) 2.585 11.565 ( -4.837 -0.000 0.000) 4.837 11.778 ( -3.946 -0.000 0.000) 3.946 11.939 ( -8.366 -0.000 0.000) 8.366 12.526 ( 0.934 0.000 0.000) 0.934 12.616 ( -13.758 -0.000 0.000) 13.758 12.706 ( -7.905 -0.000 0.000) 7.905 12.813 ( 2.219 0.000 0.000) 2.219 13.031 ( 7.149 0.000 0.000) 7.149 14.270 ( -1.322 -0.000 0.000) 1.322 14.376 ( 4.374 0.000 0.000) 4.374 14.473 ( 5.017 0.000 0.000) 5.017 14.476 ( -24.433 -0.000 0.000) 24.433 14.776 ( -5.932 -0.000 0.000) 5.932 15.496 ( 19.753 0.000 0.000) 19.753 17.970 ( -3.718 -0.000 0.000) 3.718 18.021 ( 0.794 0.000 0.000) 0.794 18.178 ( 3.029 0.000 0.000) 3.029 18.843 ( -5.713 -0.000 0.000) 5.713 20.008 ( 1.094 0.000 0.000) 1.094 20.730 ( 1.202 0.000 0.000) 1.202 20.785 ( -4.612 -0.000 0.000) 4.612 22.114 ( -1.093 -0.000 0.000) 1.093 22.249 ( -8.415 -0.000 0.000) 8.415 22.762 ( 7.508 0.000 0.000) 7.508 23.056 ( 0.197 0.000 0.000) 0.197 23.761 ( 2.990 0.000 0.000) 2.990 23.798 ( 0.178 0.000 0.000) 0.178 23.802 ( 0.118 0.000 0.000) 0.118 23.994 ( -0.660 -0.000 0.000) 0.660 24.139 ( 1.127 0.000 0.000) 1.127 24.208 ( 0.782 0.000 0.000) 0.782 24.263 ( 5.384 0.000 0.000) 5.384 24.357 ( 0.512 0.000 0.000) 0.512 24.588 ( 1.168 0.000 0.000) 1.168 25.039 ( -0.368 -0.000 0.000) 0.368 26.645 ( -12.966 -0.000 0.000) 12.966 ======================= Grid point 11 (7/63) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 24.725 -14.990 0.000) 28.915 1.353 ( 29.073 -19.396 0.000) 34.949 1.936 ( 42.723 -24.497 0.000) 49.248 2.583 ( 1.250 -6.743 0.000) 6.858 2.658 ( 8.030 1.299 0.000) 8.134 3.203 ( -3.509 0.205 0.000) 3.515 3.220 ( -6.613 0.264 0.000) 6.618 3.299 ( -1.116 0.545 0.000) 1.242 3.345 ( -1.479 3.850 0.000) 4.124 3.451 ( -7.215 8.717 0.000) 11.316 3.612 ( -8.061 10.826 0.000) 13.498 3.751 ( -11.679 -6.290 0.000) 13.265 3.845 ( -18.465 4.292 0.000) 18.957 4.153 ( -7.842 -1.250 0.000) 7.941 4.274 ( 3.406 1.314 0.000) 3.651 4.346 ( 3.476 10.100 0.000) 10.682 4.449 ( -3.971 8.209 0.000) 9.119 4.684 ( -13.148 4.338 0.000) 13.845 4.775 ( -6.210 -0.718 0.000) 6.252 4.853 ( 10.251 -14.917 0.000) 18.100 5.223 ( 6.602 12.466 0.000) 14.106 5.272 ( 17.790 -7.199 0.000) 19.192 5.546 ( 0.800 -1.417 0.000) 1.628 5.633 ( 2.283 1.826 0.000) 2.924 5.724 ( -2.997 4.902 0.000) 5.746 5.784 ( -0.983 -11.001 0.000) 11.045 5.898 ( -0.005 -6.653 0.000) 6.653 6.287 ( -2.822 14.617 0.000) 14.887 6.305 ( -7.302 4.623 0.000) 8.642 6.490 ( -10.211 -3.713 0.000) 10.865 6.711 ( -1.185 -5.411 0.000) 5.540 6.904 ( -5.364 -5.006 0.000) 7.337 7.040 ( -15.089 6.794 0.000) 16.547 7.104 ( 2.131 3.960 0.000) 4.497 7.293 ( -1.091 -0.691 0.000) 1.292 7.423 ( 3.374 0.150 0.000) 3.378 7.501 ( -1.332 0.315 0.000) 1.369 7.618 ( -7.695 3.120 0.000) 8.304 7.883 ( 11.245 0.514 0.000) 11.257 8.107 ( 0.201 20.066 0.000) 20.067 8.340 ( -0.709 -4.936 0.000) 4.987 8.470 ( 9.065 -14.053 0.000) 16.723 8.803 ( -16.425 1.089 0.000) 16.461 9.012 ( 14.309 -3.117 0.000) 14.644 9.118 ( 17.330 -15.011 0.000) 22.928 9.164 ( -0.834 7.963 0.000) 8.007 9.551 ( 12.529 7.530 0.000) 14.617 9.892 ( 7.216 -17.880 0.000) 19.281 10.205 ( -0.295 2.142 0.000) 2.162 10.298 ( -4.578 -3.339 0.000) 5.666 10.385 ( 6.572 -6.749 0.000) 9.421 10.639 ( 30.341 -3.765 0.000) 30.574 10.991 ( 4.270 -1.896 0.000) 4.672 11.382 ( -5.442 -3.859 0.000) 6.672 11.480 ( -6.250 2.622 0.000) 6.778 11.691 ( -6.577 3.921 0.000) 7.657 11.796 ( -11.031 4.173 0.000) 11.794 12.364 ( -12.423 9.941 0.000) 15.910 12.572 ( -9.113 4.225 0.000) 10.045 12.578 ( 2.822 -3.707 0.000) 4.659 12.850 ( 2.295 -1.550 0.000) 2.769 13.071 ( 5.285 1.784 0.000) 5.578 14.046 ( -4.443 17.421 0.000) 17.979 14.226 ( -21.728 1.685 0.000) 21.793 14.464 ( 6.041 -3.746 0.000) 7.108 14.570 ( 6.651 -3.761 0.000) 7.640 14.856 ( -6.979 -13.031 0.000) 14.782 15.670 ( 17.122 1.939 0.000) 17.231 17.930 ( -5.075 -0.524 0.000) 5.102 18.057 ( 0.102 -1.527 0.000) 1.530 18.230 ( 3.013 -2.405 0.000) 3.855 18.664 ( -2.721 9.743 0.000) 10.116 20.195 ( -9.258 -11.012 0.000) 14.387 20.645 ( -2.530 3.794 0.000) 4.560 20.777 ( -1.809 -1.649 0.000) 2.448 22.013 ( -0.738 7.129 0.000) 7.167 22.247 ( -7.216 -6.325 0.000) 9.596 22.721 ( 13.739 9.666 0.000) 16.799 23.077 ( 0.245 -2.093 0.000) 2.107 23.782 ( 3.889 1.830 0.000) 4.297 23.798 ( 0.089 0.144 0.000) 0.169 23.807 ( 0.240 -0.259 0.000) 0.353 23.995 ( -0.877 -1.062 0.000) 1.377 24.217 ( 0.445 -4.092 0.000) 4.116 24.230 ( 1.451 -2.297 0.000) 2.717 24.317 ( 0.911 4.153 0.000) 4.252 24.361 ( 5.159 -4.119 0.000) 6.602 24.677 ( 1.805 -7.280 0.000) 7.500 24.991 ( -0.705 3.751 0.000) 3.817 26.393 ( -16.295 10.236 0.000) 19.243 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 18.501 -18.406 0.000) 26.097 1.987 ( 21.554 -21.266 0.000) 30.279 2.660 ( 5.022 2.360 0.000) 5.549 2.676 ( 16.609 -14.764 0.000) 22.222 2.780 ( 0.476 -9.610 0.000) 9.622 3.028 ( -5.001 10.550 0.000) 11.675 3.158 ( -2.840 1.120 0.000) 3.053 3.185 ( -5.316 8.456 0.000) 9.988 3.234 ( -8.424 1.346 0.000) 8.531 3.307 ( -4.460 0.761 0.000) 4.525 3.475 ( -2.076 2.627 0.000) 3.349 3.573 ( -4.838 4.295 0.000) 6.469 3.729 ( -6.211 -3.036 0.000) 6.913 4.054 ( -9.480 5.287 0.000) 10.854 4.146 ( -2.745 11.454 0.000) 11.779 4.208 ( 1.738 7.422 0.000) 7.623 4.278 ( 1.923 2.493 0.000) 3.148 4.539 ( -8.580 0.807 0.000) 8.618 4.824 ( -3.475 -6.212 0.000) 7.118 5.060 ( -0.118 8.924 0.000) 8.925 5.252 ( 12.051 -14.818 0.000) 19.099 5.549 ( 5.378 -1.533 0.000) 5.592 5.564 ( 2.449 6.093 0.000) 6.567 5.587 ( 1.689 0.184 0.000) 1.699 5.662 ( 6.404 -3.421 0.000) 7.261 5.949 ( 1.484 -2.947 0.000) 3.300 6.058 ( -3.257 3.817 0.000) 5.018 6.062 ( 1.226 -8.836 0.000) 8.920 6.140 ( -8.923 1.293 0.000) 9.016 6.493 ( -3.702 -4.270 0.000) 5.651 6.750 ( -4.506 3.170 0.000) 5.510 6.841 ( -6.848 -3.329 0.000) 7.614 6.891 ( -4.855 -1.667 0.000) 5.133 7.062 ( 3.536 3.105 0.000) 4.705 7.248 ( -4.949 1.159 0.000) 5.083 7.388 ( -7.319 11.800 0.000) 13.885 7.501 ( 9.302 -0.875 0.000) 9.343 7.555 ( -4.959 -6.356 0.000) 8.062 7.740 ( -3.351 10.352 0.000) 10.880 8.064 ( 10.188 0.901 0.000) 10.228 8.357 ( 8.267 4.112 0.000) 9.233 8.577 ( -14.844 4.748 0.000) 15.584 8.896 ( 6.112 -18.777 0.000) 19.747 8.993 ( -0.303 10.060 0.000) 10.065 9.158 ( 7.508 -1.586 0.000) 7.674 9.572 ( 12.171 1.907 0.000) 12.319 9.599 ( 18.800 -11.621 0.000) 22.101 10.168 ( -1.417 -1.096 0.000) 1.791 10.178 ( 1.526 -4.942 0.000) 5.172 10.369 ( -4.702 -11.588 0.000) 12.506 10.576 ( 3.367 -7.249 0.000) 7.993 10.899 ( 19.065 2.296 0.000) 19.203 11.155 ( 6.993 -8.997 0.000) 11.395 11.303 ( -3.745 5.946 0.000) 7.028 11.417 ( -2.326 0.049 0.000) 2.326 11.519 ( -8.030 6.438 0.000) 10.293 11.608 ( -11.317 1.468 0.000) 11.412 12.038 ( -13.240 11.624 0.000) 17.619 12.409 ( -6.945 4.010 0.000) 8.019 12.700 ( 5.174 -4.548 0.000) 6.889 12.915 ( 1.931 -2.847 0.000) 3.440 13.080 ( 2.223 1.494 0.000) 2.678 13.662 ( -4.315 19.136 0.000) 19.616 13.990 ( -17.204 1.018 0.000) 17.234 14.617 ( 6.238 -5.583 0.000) 8.372 14.720 ( 6.287 -4.668 0.000) 7.831 15.019 ( -7.905 -13.036 0.000) 15.246 15.771 ( 13.538 4.517 0.000) 14.271 17.882 ( -3.515 0.845 0.000) 3.615 18.069 ( -0.632 -0.490 0.000) 0.799 18.300 ( 0.509 -1.274 0.000) 1.372 18.491 ( -0.624 5.876 0.000) 5.909 20.113 ( -5.499 7.903 0.000) 9.628 20.619 ( -4.141 -2.585 0.000) 4.882 20.831 ( -2.588 -7.733 0.000) 8.155 21.883 ( 0.377 7.157 0.000) 7.167 22.279 ( -6.647 -4.610 0.000) 8.089 22.726 ( 11.672 5.134 0.000) 12.751 23.133 ( 0.236 -3.673 0.000) 3.680 23.767 ( 3.321 4.114 0.000) 5.287 23.797 ( 0.031 -0.062 0.000) 0.069 23.813 ( 0.229 -0.110 0.000) 0.254 24.013 ( -1.062 -2.019 0.000) 2.282 24.253 ( 1.565 4.195 0.000) 4.478 24.263 ( 2.142 -1.143 0.000) 2.428 24.322 ( 2.841 -3.428 0.000) 4.453 24.485 ( 2.542 -4.739 0.000) 5.378 24.865 ( 2.819 -11.139 0.000) 11.490 24.908 ( -2.663 3.337 0.000) 4.269 25.995 ( -15.124 15.070 0.000) 21.351 ======================= Grid point 13 (9/63) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 10.522 -15.230 0.000) 18.511 2.515 ( 14.405 -16.161 0.000) 21.649 2.609 ( -10.029 9.147 0.000) 13.573 2.643 ( 1.106 2.902 0.000) 3.106 2.850 ( -5.513 5.722 0.000) 7.946 2.892 ( -2.195 4.279 0.000) 4.809 2.957 ( -5.193 3.008 0.000) 6.002 3.162 ( -0.046 -3.457 0.000) 3.457 3.180 ( -0.423 3.119 0.000) 3.147 3.263 ( -4.388 -0.857 0.000) 4.470 3.366 ( -4.737 -0.822 0.000) 4.808 3.760 ( 3.072 0.097 0.000) 3.074 3.781 ( 9.139 -4.906 0.000) 10.372 3.891 ( -5.259 7.780 0.000) 9.390 3.939 ( 3.747 -4.259 0.000) 5.673 4.137 ( -2.821 4.365 0.000) 5.197 4.263 ( -0.721 0.201 0.000) 0.749 4.462 ( -1.021 0.764 0.000) 1.276 4.877 ( -1.596 -2.330 0.000) 2.824 4.939 ( -1.729 2.835 0.000) 3.320 5.439 ( 1.164 7.244 0.000) 7.337 5.487 ( -1.219 -1.217 0.000) 1.722 5.571 ( 5.208 -2.032 0.000) 5.590 5.607 ( 2.033 1.085 0.000) 2.304 5.856 ( 4.710 -5.714 0.000) 7.405 5.888 ( 2.384 5.130 0.000) 5.657 6.014 ( -5.887 -1.788 0.000) 6.152 6.117 ( -5.576 -7.447 0.000) 9.303 6.240 ( 3.970 -1.516 0.000) 4.250 6.561 ( 2.903 5.280 0.000) 6.026 6.664 ( -3.771 -9.573 0.000) 10.289 6.890 ( -5.121 -2.993 0.000) 5.931 6.897 ( 0.815 -3.178 0.000) 3.281 7.071 ( 4.279 -0.144 0.000) 4.281 7.155 ( -7.340 4.896 0.000) 8.823 7.176 ( -3.628 1.085 0.000) 3.786 7.531 ( -3.305 4.829 0.000) 5.852 7.582 ( -6.544 -3.323 0.000) 7.340 7.641 ( 6.888 0.498 0.000) 6.906 8.091 ( 6.109 5.527 0.000) 8.238 8.362 ( 7.801 4.986 0.000) 9.258 8.434 ( -8.531 -5.117 0.000) 9.948 8.817 ( 1.133 9.578 0.000) 9.645 9.178 ( 5.504 -4.529 0.000) 7.128 9.227 ( 2.291 -1.112 0.000) 2.546 9.590 ( 12.544 7.651 0.000) 14.693 9.914 ( 9.131 -3.355 0.000) 9.728 10.179 ( -6.474 -0.938 0.000) 6.542 10.321 ( 3.855 -14.617 0.000) 15.116 10.483 ( -1.876 -2.727 0.000) 3.310 10.609 ( -7.554 3.938 0.000) 8.519 11.033 ( 14.576 2.832 0.000) 14.848 11.198 ( -0.167 2.127 0.000) 2.134 11.346 ( -1.443 4.158 0.000) 4.401 11.361 ( 0.761 -9.031 0.000) 9.063 11.393 ( -5.646 -3.121 0.000) 6.451 11.586 ( -1.982 -3.939 0.000) 4.409 11.707 ( -11.819 8.071 0.000) 14.312 12.302 ( -4.396 1.260 0.000) 4.573 12.819 ( 5.683 -1.547 0.000) 5.890 12.939 ( -1.460 1.420 0.000) 2.037 13.071 ( 0.304 0.798 0.000) 0.854 13.330 ( -4.871 11.498 0.000) 12.488 13.908 ( -3.293 -5.445 0.000) 6.363 14.756 ( 3.913 -3.049 0.000) 4.961 14.828 ( 3.516 -1.009 0.000) 3.658 15.141 ( -9.381 -10.381 0.000) 13.992 15.780 ( 9.269 7.819 0.000) 12.127 17.845 ( 0.880 1.083 0.000) 1.395 18.065 ( -3.456 -1.193 0.000) 3.656 18.253 ( 1.558 4.138 0.000) 4.422 18.477 ( -0.799 -1.711 0.000) 1.889 19.927 ( -1.975 6.596 0.000) 6.886 20.620 ( -2.060 -1.555 0.000) 2.581 20.976 ( -2.383 -10.465 0.000) 10.733 21.772 ( 1.774 6.320 0.000) 6.565 22.265 ( -7.824 -2.052 0.000) 8.089 22.755 ( 8.436 3.688 0.000) 9.207 23.202 ( 0.146 -3.502 0.000) 3.505 23.709 ( 1.681 4.888 0.000) 5.169 23.800 ( 0.051 -0.228 0.000) 0.233 23.815 ( 0.112 0.160 0.000) 0.196 24.044 ( -1.189 -2.738 0.000) 2.985 24.199 ( 1.855 3.941 0.000) 4.356 24.299 ( 2.672 0.178 0.000) 2.678 24.392 ( 4.021 -0.105 0.000) 4.023 24.568 ( 0.203 -2.475 0.000) 2.484 24.835 ( -4.237 0.158 0.000) 4.240 25.132 ( 4.136 -14.720 0.000) 15.290 25.591 ( -10.595 14.363 0.000) 17.848 ======================= Grid point 14 (10/63) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.725 17.050 0.000) 19.153 2.485 ( -7.131 20.216 0.000) 21.437 2.551 ( 0.548 -11.696 0.000) 11.709 2.591 ( -2.173 3.665 0.000) 4.261 2.887 ( 5.489 -5.708 0.000) 7.919 2.926 ( 8.025 -9.386 0.000) 12.349 2.997 ( 0.768 -3.798 0.000) 3.875 3.161 ( 0.019 -4.725 0.000) 4.726 3.213 ( -0.226 0.777 0.000) 0.809 3.268 ( -2.266 -4.571 0.000) 5.102 3.371 ( -3.916 -3.206 0.000) 5.061 3.642 ( -2.572 2.765 0.000) 3.777 3.750 ( 0.683 8.117 0.000) 8.146 3.911 ( -4.273 11.177 0.000) 11.966 3.977 ( 5.906 -7.917 0.000) 9.877 4.126 ( -1.373 -4.660 0.000) 4.858 4.252 ( -1.227 -0.049 0.000) 1.228 4.598 ( 11.605 -7.608 0.000) 13.876 4.893 ( 0.876 -1.255 0.000) 1.531 4.910 ( -0.714 -0.023 0.000) 0.714 5.407 ( 1.910 -2.783 0.000) 3.375 5.439 ( -4.385 4.232 0.000) 6.094 5.555 ( -1.639 3.413 0.000) 3.786 5.577 ( -1.908 2.437 0.000) 3.095 5.843 ( 3.046 2.757 0.000) 4.108 5.880 ( 1.195 7.326 0.000) 7.422 6.103 ( -0.438 -9.610 0.000) 9.620 6.141 ( -6.838 -2.130 0.000) 7.162 6.273 ( 1.119 -1.403 0.000) 1.794 6.431 ( 1.572 6.995 0.000) 7.169 6.873 ( 6.758 -6.444 0.000) 9.338 6.887 ( -4.225 -3.241 0.000) 5.325 6.937 ( 1.136 0.781 0.000) 1.379 7.026 ( -7.182 1.829 0.000) 7.412 7.133 ( -2.210 -3.400 0.000) 4.055 7.165 ( 7.280 1.514 0.000) 7.436 7.443 ( -2.126 0.293 0.000) 2.146 7.552 ( -8.697 -2.514 0.000) 9.053 7.662 ( -4.700 -2.010 0.000) 5.112 8.116 ( 12.665 1.912 0.000) 12.808 8.331 ( 4.965 5.914 0.000) 7.722 8.539 ( -3.567 -10.909 0.000) 11.477 8.712 ( 3.292 3.237 0.000) 4.617 9.182 ( 2.237 5.303 0.000) 5.755 9.237 ( -0.293 3.423 0.000) 3.436 9.571 ( 10.406 7.945 0.000) 13.092 9.926 ( 0.155 9.271 0.000) 9.272 10.113 ( -8.932 -0.838 0.000) 8.972 10.360 ( -6.642 7.788 0.000) 10.236 10.449 ( -3.689 2.174 0.000) 4.282 10.590 ( -0.936 -7.032 0.000) 7.094 11.041 ( 8.770 9.935 0.000) 13.252 11.216 ( 2.638 -2.328 0.000) 3.519 11.286 ( -1.704 -0.338 0.000) 1.738 11.459 ( -3.943 0.768 0.000) 4.018 11.460 ( -1.068 -0.325 0.000) 1.116 11.538 ( -0.611 -12.977 0.000) 12.991 11.777 ( 2.877 -9.792 0.000) 10.205 12.282 ( -2.214 -3.227 0.000) 3.914 12.770 ( -0.147 7.116 0.000) 7.117 12.940 ( -0.689 -0.039 0.000) 0.690 13.061 ( -0.348 0.325 0.000) 0.477 13.202 ( -3.441 -4.605 0.000) 5.748 14.107 ( 10.150 -10.940 0.000) 14.923 14.771 ( 0.397 4.307 0.000) 4.326 14.819 ( 0.268 3.833 0.000) 3.843 15.191 ( -10.796 -6.790 0.000) 12.754 15.682 ( 4.816 11.160 0.000) 12.155 17.880 ( 4.833 -1.790 0.000) 5.154 18.042 ( -3.637 -0.838 0.000) 3.732 18.256 ( 3.491 -1.239 0.000) 3.704 18.456 ( -4.029 1.739 0.000) 4.388 19.880 ( 0.497 -2.615 0.000) 2.662 20.643 ( -0.073 -2.368 0.000) 2.369 21.130 ( 1.256 -7.008 0.000) 7.119 21.704 ( 2.277 3.404 0.000) 4.096 22.193 ( -10.317 -0.567 0.000) 10.332 22.756 ( 5.770 4.663 0.000) 7.419 23.238 ( 0.032 0.122 0.000) 0.127 23.653 ( 0.126 1.764 0.000) 1.769 23.804 ( 0.095 0.006 0.000) 0.095 23.811 ( -0.041 0.157 0.000) 0.163 24.086 ( -0.994 -3.338 0.000) 3.483 24.147 ( 1.324 3.859 0.000) 4.080 24.304 ( 1.852 1.901 0.000) 2.654 24.403 ( 3.658 3.147 0.000) 4.826 24.559 ( -2.929 1.746 0.000) 3.410 24.841 ( -1.955 -4.223 0.000) 4.654 25.230 ( -4.163 11.753 0.000) 12.469 25.525 ( 3.766 -18.790 0.000) 19.164 ======================= Grid point 15 (11/63) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -7.234 25.284 0.000) 26.299 1.961 ( -6.890 28.999 0.000) 29.806 2.512 ( -2.400 2.479 0.000) 3.451 2.749 ( -2.357 27.735 0.000) 27.835 2.848 ( 1.200 -18.047 0.000) 18.087 2.967 ( 1.025 7.739 0.000) 7.807 3.131 ( 0.640 -7.311 0.000) 7.339 3.238 ( 4.221 -2.856 0.000) 5.097 3.314 ( -2.185 -3.195 0.000) 3.870 3.362 ( 1.715 -5.354 0.000) 5.622 3.407 ( -2.017 -4.403 0.000) 4.843 3.571 ( 1.117 -5.307 0.000) 5.424 3.720 ( 0.224 -11.132 0.000) 11.135 3.923 ( 3.143 -10.306 0.000) 10.774 4.158 ( -2.888 -3.016 0.000) 4.175 4.161 ( 2.856 -5.724 0.000) 6.397 4.239 ( 0.990 1.319 0.000) 1.649 4.761 ( -0.143 -3.591 0.000) 3.593 4.898 ( -3.954 -1.987 0.000) 4.426 5.012 ( 13.852 -1.800 0.000) 13.968 5.210 ( -5.373 13.482 0.000) 14.513 5.462 ( -3.206 9.142 0.000) 9.688 5.483 ( -7.622 2.019 0.000) 7.885 5.564 ( 3.855 -10.534 0.000) 11.217 5.711 ( 1.268 6.686 0.000) 6.806 5.876 ( 7.154 -0.080 0.000) 7.154 6.053 ( -7.791 2.812 0.000) 8.282 6.172 ( -1.099 4.764 0.000) 4.889 6.324 ( 0.795 -2.492 0.000) 2.616 6.477 ( 3.827 -11.654 0.000) 12.266 6.862 ( -5.485 2.476 0.000) 6.018 6.947 ( 0.392 -5.598 0.000) 5.612 6.948 ( 3.065 1.816 0.000) 3.563 7.059 ( 4.525 -6.081 0.000) 7.580 7.149 ( -4.436 -1.787 0.000) 4.782 7.219 ( 10.067 2.601 0.000) 10.398 7.501 ( -10.203 -2.639 0.000) 10.539 7.518 ( 1.002 -8.431 0.000) 8.490 7.620 ( -7.815 -0.228 0.000) 7.819 8.197 ( 10.217 4.285 0.000) 11.079 8.257 ( 1.561 5.839 0.000) 6.044 8.693 ( -0.672 -10.035 0.000) 10.058 8.808 ( 2.038 -9.083 0.000) 9.309 9.067 ( 0.923 9.239 0.000) 9.285 9.094 ( -2.430 10.472 0.000) 10.750 9.494 ( 4.920 11.963 0.000) 12.935 9.611 ( -5.361 16.872 0.000) 17.703 10.033 ( -7.244 0.178 0.000) 7.246 10.268 ( 2.398 2.839 0.000) 3.716 10.354 ( -3.774 4.445 0.000) 5.831 10.519 ( -6.710 6.770 0.000) 9.532 10.887 ( 3.385 13.517 0.000) 13.935 11.318 ( -0.687 14.153 0.000) 14.170 11.330 ( -1.051 -6.030 0.000) 6.121 11.345 ( 4.918 -6.255 0.000) 7.957 11.553 ( 1.207 -10.377 0.000) 10.447 11.788 ( 2.479 -13.017 0.000) 13.251 11.984 ( 0.621 -10.116 0.000) 10.135 12.381 ( 0.322 -8.785 0.000) 8.791 12.669 ( -0.720 3.780 0.000) 3.848 12.878 ( -2.391 2.831 0.000) 3.706 13.047 ( -0.431 1.022 0.000) 1.109 13.415 ( 0.916 -17.484 0.000) 17.508 14.437 ( 12.973 -11.380 0.000) 17.257 14.639 ( -0.933 8.812 0.000) 8.861 14.711 ( -1.173 7.291 0.000) 7.385 15.165 ( -10.443 -2.958 0.000) 10.854 15.491 ( 1.110 13.425 0.000) 13.470 17.985 ( 4.692 -3.059 0.000) 5.601 18.033 ( -1.134 -1.254 0.000) 1.691 18.345 ( 1.122 -5.048 0.000) 5.171 18.349 ( -3.795 4.311 0.000) 5.744 20.024 ( 1.357 -11.880 0.000) 11.958 20.699 ( 0.874 -3.188 0.000) 3.305 21.244 ( 8.301 -0.674 0.000) 8.328 21.686 ( -2.420 0.163 0.000) 2.425 22.093 ( -10.070 -1.173 0.000) 10.138 22.702 ( 3.166 6.669 0.000) 7.382 23.199 ( -0.023 3.762 0.000) 3.762 23.654 ( -0.531 -1.784 0.000) 1.861 23.801 ( 0.004 0.318 0.000) 0.318 23.810 ( -0.034 0.047 0.000) 0.058 24.091 ( 0.582 3.376 0.000) 3.426 24.144 ( -0.524 -4.026 0.000) 4.060 24.275 ( 0.563 2.455 0.000) 2.519 24.363 ( 2.236 4.347 0.000) 4.888 24.470 ( -3.431 4.098 0.000) 5.344 24.912 ( 0.198 -4.004 0.000) 4.009 24.989 ( -1.575 11.198 0.000) 11.308 25.952 ( 3.829 -22.893 0.000) 23.211 ======================= Grid point 16 (12/63) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 28.902 0.000) 28.902 1.348 ( -0.000 34.704 0.000) 34.704 1.988 ( -0.000 49.882 0.000) 49.882 2.468 ( -0.000 0.658 0.000) 0.658 2.787 ( -0.000 11.618 0.000) 11.618 3.174 ( 0.000 -14.999 0.000) 14.999 3.244 ( 0.000 -4.207 0.000) 4.207 3.292 ( 0.000 -0.252 0.000) 0.252 3.367 ( -0.000 3.155 0.000) 3.155 3.393 ( 0.000 -7.735 0.000) 7.735 3.450 ( 0.000 -7.130 0.000) 7.130 3.920 ( 0.000 -22.282 0.000) 22.282 3.973 ( 0.000 -15.641 0.000) 15.641 4.179 ( 0.000 -0.855 0.000) 0.855 4.201 ( -0.000 1.621 0.000) 1.621 4.202 ( -0.000 5.348 0.000) 5.348 4.259 ( 0.000 -21.893 0.000) 21.893 4.821 ( 0.000 -4.377 0.000) 4.377 4.928 ( 0.000 -4.403 0.000) 4.403 4.931 ( -0.000 13.356 0.000) 13.356 5.107 ( -0.000 1.284 0.000) 1.284 5.173 ( -0.000 16.369 0.000) 16.369 5.412 ( 0.000 -0.564 0.000) 0.564 5.722 ( 0.000 -4.094 0.000) 4.094 5.801 ( 0.000 -8.819 0.000) 8.819 5.838 ( -0.000 7.502 0.000) 7.502 6.019 ( -0.000 9.323 0.000) 9.323 6.020 ( 0.000 -4.957 0.000) 4.957 6.356 ( 0.000 -0.768 0.000) 0.768 6.758 ( -0.000 3.909 0.000) 3.909 6.798 ( 0.000 -15.676 0.000) 15.676 6.986 ( 0.000 -3.053 0.000) 3.053 7.058 ( 0.000 -4.391 0.000) 4.391 7.097 ( -0.000 2.655 0.000) 2.655 7.235 ( 0.000 -11.024 0.000) 11.024 7.273 ( -0.000 0.133 0.000) 0.133 7.463 ( 0.000 -1.573 0.000) 1.573 7.527 ( -0.000 3.229 0.000) 3.229 7.750 ( 0.000 -16.005 0.000) 16.005 8.143 ( -0.000 7.249 0.000) 7.249 8.178 ( -0.000 2.638 0.000) 2.638 8.864 ( -0.000 13.212 0.000) 13.212 8.882 ( -0.000 11.123 0.000) 11.123 8.908 ( 0.000 -13.386 0.000) 13.386 8.999 ( 0.000 -10.274 0.000) 10.274 9.129 ( -0.000 23.945 0.000) 23.945 9.421 ( -0.000 7.271 0.000) 7.271 9.971 ( -0.000 2.378 0.000) 2.378 10.167 ( -0.000 16.178 0.000) 16.178 10.240 ( -0.000 2.607 0.000) 2.607 10.348 ( -0.000 6.308 0.000) 6.308 10.657 ( -0.000 13.491 0.000) 13.491 11.046 ( -0.000 12.459 0.000) 12.459 11.448 ( 0.000 -7.143 0.000) 7.143 11.489 ( 0.000 -6.270 0.000) 6.270 11.772 ( 0.000 -11.766 0.000) 11.766 12.042 ( 0.000 -11.967 0.000) 11.967 12.111 ( 0.000 -5.170 0.000) 5.170 12.568 ( 0.000 -10.706 0.000) 10.706 12.604 ( -0.000 3.425 0.000) 3.425 12.822 ( -0.000 2.005 0.000) 2.005 13.011 ( -0.000 2.747 0.000) 2.747 13.768 ( 0.000 -20.326 0.000) 20.326 14.479 ( -0.000 7.757 0.000) 7.757 14.566 ( -0.000 7.353 0.000) 7.353 14.714 ( 0.000 -9.262 0.000) 9.262 15.114 ( -0.000 1.228 0.000) 1.228 15.250 ( -0.000 12.749 0.000) 12.749 18.018 ( 0.000 -0.019 0.000) 0.019 18.092 ( 0.000 -2.975 0.000) 2.975 18.238 ( -0.000 4.585 0.000) 4.585 18.460 ( 0.000 -6.500 0.000) 6.500 20.297 ( 0.000 -16.693 0.000) 16.693 20.764 ( 0.000 -3.253 0.000) 3.253 21.330 ( -0.000 0.599 0.000) 0.599 21.592 ( -0.000 4.174 0.000) 4.174 22.085 ( 0.000 -4.191 0.000) 4.191 22.584 ( -0.000 8.289 0.000) 8.289 23.127 ( -0.000 3.794 0.000) 3.794 23.689 ( 0.000 -2.135 0.000) 2.135 23.796 ( -0.000 0.140 0.000) 0.140 23.807 ( -0.000 0.249 0.000) 0.249 24.042 ( -0.000 2.344 0.000) 2.344 24.219 ( 0.000 -4.607 0.000) 4.607 24.237 ( -0.000 1.942 0.000) 1.942 24.308 ( -0.000 2.854 0.000) 2.854 24.356 ( -0.000 6.234 0.000) 6.234 24.798 ( -0.000 9.544 0.000) 9.544 24.971 ( 0.000 -2.265 0.000) 2.265 26.370 ( 0.000 -20.611 0.000) 20.611 ======================= Grid point 19 (13/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 30.091 0.000 0.000) 30.091 1.491 ( 30.108 0.000 0.000) 30.108 2.201 ( 45.859 0.000 0.000) 45.859 2.530 ( 2.485 0.000 0.000) 2.485 2.773 ( 7.868 0.000 0.000) 7.868 3.135 ( -9.810 -0.000 0.000) 9.810 3.154 ( -5.479 -0.000 0.000) 5.479 3.294 ( -0.620 -0.000 0.000) 0.620 3.366 ( -3.978 -0.000 0.000) 3.978 3.502 ( -9.630 -0.000 0.000) 9.630 3.515 ( -10.233 -0.000 0.000) 10.233 3.564 ( -18.006 -0.000 0.000) 18.006 3.688 ( -14.052 -0.000 0.000) 14.052 4.035 ( -10.663 -0.000 0.000) 10.663 4.331 ( 3.720 0.000 0.000) 3.720 4.445 ( -0.714 -0.000 0.000) 0.714 4.474 ( -2.830 -0.000 0.000) 2.830 4.596 ( -8.029 -0.000 0.000) 8.029 4.806 ( -5.176 -0.000 0.000) 5.176 4.826 ( 18.497 0.000 0.000) 18.497 5.398 ( 17.748 0.000 0.000) 17.748 5.408 ( -7.645 -0.000 0.000) 7.645 5.511 ( 7.694 0.000 0.000) 7.694 5.607 ( -5.176 -0.000 0.000) 5.176 5.749 ( 8.911 0.000 0.000) 8.911 5.766 ( -2.382 -0.000 0.000) 2.382 5.814 ( 0.747 0.000 0.000) 0.747 6.230 ( -17.898 -0.000 0.000) 17.898 6.296 ( -15.968 -0.000 0.000) 15.968 6.400 ( 2.337 0.000 0.000) 2.337 6.655 ( 0.335 0.000 0.000) 0.335 6.821 ( 1.940 0.000 0.000) 1.940 6.886 ( -22.450 -0.000 0.000) 22.450 7.150 ( 1.510 0.000 0.000) 1.510 7.265 ( -0.399 -0.000 0.000) 0.399 7.442 ( 3.605 0.000 0.000) 3.605 7.555 ( -8.447 -0.000 0.000) 8.447 7.702 ( 5.182 0.000 0.000) 5.182 7.995 ( -5.739 -0.000 0.000) 5.739 8.059 ( 16.387 0.000 0.000) 16.387 8.378 ( 1.085 0.000 0.000) 1.085 8.564 ( -19.812 -0.000 0.000) 19.812 8.577 ( 11.065 0.000 0.000) 11.065 9.123 ( 9.755 0.000 0.000) 9.755 9.193 ( 25.162 0.000 0.000) 25.162 9.224 ( -3.205 -0.000 0.000) 3.205 9.742 ( 8.652 0.000 0.000) 8.652 9.773 ( 7.406 0.000 0.000) 7.406 10.206 ( 0.386 0.000 0.000) 0.386 10.208 ( -6.304 -0.000 0.000) 6.304 10.448 ( 12.560 0.000 0.000) 12.560 10.964 ( 34.507 0.000 0.000) 34.507 11.034 ( 5.374 0.000 0.000) 5.374 11.269 ( -4.751 -0.000 0.000) 4.751 11.455 ( -5.152 -0.000 0.000) 5.152 11.677 ( -5.605 -0.000 0.000) 5.605 11.707 ( -13.375 -0.000 0.000) 13.375 12.288 ( -17.948 -0.000 0.000) 17.948 12.496 ( -11.686 -0.000 0.000) 11.686 12.572 ( 3.654 0.000 0.000) 3.654 12.852 ( 1.097 0.000 0.000) 1.097 13.152 ( 4.650 0.000 0.000) 4.650 13.996 ( -21.389 -0.000 0.000) 21.389 14.234 ( -1.993 -0.000 0.000) 1.993 14.501 ( 7.432 0.000 0.000) 7.432 14.608 ( -9.946 -0.000 0.000) 9.946 14.613 ( 7.993 0.000 0.000) 7.993 15.849 ( 14.213 0.000 0.000) 14.213 17.856 ( -7.117 -0.000 0.000) 7.117 18.048 ( 1.785 0.000 0.000) 1.785 18.258 ( 4.423 0.000 0.000) 4.423 18.688 ( -8.674 -0.000 0.000) 8.674 20.040 ( 1.970 0.000 0.000) 1.970 20.664 ( -6.546 -0.000 0.000) 6.546 20.762 ( 1.801 0.000 0.000) 1.801 22.073 ( -8.173 -0.000 0.000) 8.173 22.096 ( -0.437 -0.000 0.000) 0.437 22.912 ( 6.563 0.000 0.000) 6.563 23.061 ( 0.282 0.000 0.000) 0.282 23.802 ( 0.180 0.000 0.000) 0.180 23.805 ( 0.155 0.000 0.000) 0.155 23.848 ( 5.190 0.000 0.000) 5.190 23.977 ( -0.886 -0.000 0.000) 0.886 24.171 ( 1.839 0.000 0.000) 1.839 24.230 ( 1.319 0.000 0.000) 1.319 24.370 ( 0.676 0.000 0.000) 0.676 24.384 ( 5.608 0.000 0.000) 5.608 24.624 ( 2.461 0.000 0.000) 2.461 25.029 ( -0.628 -0.000 0.000) 0.628 26.295 ( -19.712 -0.000 0.000) 19.712 ======================= Grid point 20 (14/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 26.509 -6.797 0.000) 27.366 1.905 ( 23.646 -13.448 0.000) 27.203 2.622 ( 2.799 -6.225 0.000) 6.825 2.680 ( 19.862 -6.314 0.000) 20.842 2.794 ( 4.041 3.948 0.000) 5.650 3.011 ( -13.537 0.516 0.000) 13.547 3.110 ( -5.599 -1.546 0.000) 5.808 3.226 ( -6.111 3.442 0.000) 7.014 3.264 ( -2.703 4.497 0.000) 5.247 3.291 ( -6.877 4.474 0.000) 8.204 3.445 ( -7.306 -0.088 0.000) 7.307 3.545 ( -7.866 -7.745 0.000) 11.038 3.568 ( -3.117 0.541 0.000) 3.164 3.962 ( -6.352 -1.718 0.000) 6.580 4.303 ( 0.206 6.516 0.000) 6.520 4.373 ( -1.067 6.067 0.000) 6.160 4.395 ( -3.734 3.585 0.000) 5.177 4.528 ( -2.612 9.331 0.000) 9.690 4.662 ( -5.176 -2.330 0.000) 5.676 5.153 ( 17.451 -11.831 0.000) 21.083 5.237 ( -4.029 9.297 0.000) 10.132 5.573 ( 6.730 -2.282 0.000) 7.106 5.590 ( 3.297 -1.630 0.000) 3.678 5.685 ( 0.193 -5.815 0.000) 5.818 5.711 ( 2.247 2.109 0.000) 3.082 5.770 ( 1.325 0.138 0.000) 1.333 5.932 ( 5.207 -8.097 0.000) 9.627 6.052 ( -11.714 0.371 0.000) 11.720 6.138 ( -9.536 2.655 0.000) 9.898 6.425 ( -0.571 -0.339 0.000) 0.664 6.677 ( -16.270 -0.650 0.000) 16.283 6.713 ( 2.125 -4.457 0.000) 4.938 6.860 ( 0.958 -0.386 0.000) 1.033 7.138 ( -1.415 1.692 0.000) 2.206 7.258 ( -0.532 3.039 0.000) 3.086 7.367 ( -9.216 5.191 0.000) 10.578 7.460 ( -2.180 7.739 0.000) 8.040 7.578 ( 3.735 -5.053 0.000) 6.284 8.071 ( 0.957 21.123 0.000) 21.145 8.198 ( 11.057 1.551 0.000) 11.165 8.328 ( 0.377 -19.043 0.000) 19.047 8.473 ( -13.857 0.614 0.000) 13.871 8.726 ( 13.647 -5.766 0.000) 14.815 9.121 ( -3.249 6.135 0.000) 6.942 9.209 ( 5.375 -0.613 0.000) 5.410 9.546 ( 20.685 -10.991 0.000) 23.424 9.803 ( 11.199 2.298 0.000) 11.432 10.020 ( 4.963 -16.306 0.000) 17.044 10.156 ( -7.244 -1.906 0.000) 7.491 10.204 ( 1.747 3.073 0.000) 3.534 10.557 ( 8.729 0.624 0.000) 8.751 11.071 ( 5.279 1.529 0.000) 5.496 11.278 ( 26.528 1.891 0.000) 26.596 11.281 ( -4.164 -5.579 0.000) 6.961 11.366 ( -4.604 3.742 0.000) 5.933 11.537 ( -12.805 3.805 0.000) 13.358 11.573 ( -5.387 4.426 0.000) 6.972 12.041 ( -17.313 6.361 0.000) 18.445 12.364 ( -10.230 1.319 0.000) 10.315 12.665 ( 5.344 -4.834 0.000) 7.206 12.878 ( 0.181 -2.314 0.000) 2.321 13.158 ( 3.108 3.346 0.000) 4.567 13.794 ( -15.824 0.094 0.000) 15.825 13.982 ( -5.209 18.273 0.000) 19.000 14.609 ( 7.397 -3.198 0.000) 8.058 14.694 ( -8.048 -14.208 0.000) 16.329 14.723 ( 7.460 -2.888 0.000) 7.999 15.958 ( 10.751 2.240 0.000) 10.982 17.807 ( -6.570 -2.622 0.000) 7.074 18.068 ( 0.881 0.199 0.000) 0.903 18.304 ( 3.789 -0.358 0.000) 3.806 18.559 ( -6.323 4.264 0.000) 7.627 20.101 ( -1.625 -2.448 0.000) 2.938 20.575 ( -3.919 1.796 0.000) 4.311 20.766 ( 0.465 0.349 0.000) 0.581 21.960 ( -4.161 3.402 0.000) 5.374 22.140 ( -2.604 -4.171 0.000) 4.917 22.923 ( 6.811 4.821 0.000) 8.344 23.083 ( 0.262 -2.073 0.000) 2.090 23.799 ( 0.077 0.232 0.000) 0.245 23.812 ( 0.196 -0.307 0.000) 0.365 23.875 ( 4.772 2.976 0.000) 5.624 23.977 ( -0.827 -0.971 0.000) 1.276 24.238 ( 1.238 -4.012 0.000) 4.198 24.277 ( 2.781 -3.721 0.000) 4.645 24.339 ( 1.199 3.495 0.000) 3.695 24.450 ( 3.037 -1.788 0.000) 3.524 24.725 ( 2.820 -7.312 0.000) 7.837 24.973 ( -0.938 4.930 0.000) 5.018 26.023 ( -18.209 7.468 0.000) 19.681 ======================= Grid point 21 (15/63) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 18.556 -8.946 0.000) 20.600 2.387 ( 16.389 -16.068 0.000) 22.952 2.644 ( -9.442 6.253 0.000) 11.325 2.719 ( 1.051 2.826 0.000) 3.015 2.792 ( 0.161 -5.918 0.000) 5.920 2.821 ( -15.496 3.402 0.000) 15.865 3.072 ( -4.632 9.006 0.000) 10.127 3.097 ( -3.807 -2.569 0.000) 4.593 3.213 ( -3.694 1.559 0.000) 4.009 3.216 ( -4.909 -3.228 0.000) 5.875 3.344 ( -1.541 6.952 0.000) 7.121 3.650 ( -1.881 -9.869 0.000) 10.047 3.761 ( 16.288 -9.480 0.000) 18.846 3.944 ( -0.286 0.173 0.000) 0.334 4.094 ( -2.017 14.755 0.000) 14.893 4.238 ( 1.254 9.806 0.000) 9.886 4.280 ( -1.182 3.057 0.000) 3.277 4.417 ( -2.444 -3.694 0.000) 4.429 4.735 ( -5.085 -8.042 0.000) 9.515 5.033 ( -2.529 8.848 0.000) 9.202 5.449 ( 5.102 -3.833 0.000) 6.381 5.619 ( 4.155 0.676 0.000) 4.209 5.625 ( 1.869 2.694 0.000) 3.279 5.659 ( 5.330 7.299 0.000) 9.038 5.790 ( 4.895 -7.357 0.000) 8.837 5.882 ( -6.736 -10.010 0.000) 12.066 5.915 ( -7.204 -1.062 0.000) 7.281 5.995 ( -2.455 4.249 0.000) 4.908 6.259 ( 10.748 -8.925 0.000) 13.971 6.420 ( -3.691 -6.013 0.000) 7.056 6.583 ( -8.224 -1.757 0.000) 8.410 6.830 ( 3.370 -4.819 0.000) 5.881 6.845 ( 0.040 1.882 0.000) 1.883 7.073 ( -5.161 0.507 0.000) 5.185 7.156 ( -10.257 5.674 0.000) 11.722 7.190 ( 3.182 2.579 0.000) 4.096 7.438 ( -5.909 -4.485 0.000) 7.418 7.673 ( -1.103 4.372 0.000) 4.509 7.791 ( 11.143 10.446 0.000) 15.274 8.236 ( -4.134 5.137 0.000) 6.594 8.294 ( -1.513 0.243 0.000) 1.533 8.509 ( 5.594 -0.004 0.000) 5.594 8.969 ( -1.995 7.659 0.000) 7.915 9.052 ( 8.323 -13.369 0.000) 15.748 9.256 ( 1.712 -0.740 0.000) 1.866 9.863 ( 14.464 2.362 0.000) 14.656 9.978 ( 15.192 -9.367 0.000) 17.848 10.088 ( -6.952 -0.285 0.000) 6.958 10.154 ( 1.112 0.587 0.000) 1.258 10.359 ( 1.947 -13.158 0.000) 13.302 10.572 ( -3.396 2.186 0.000) 4.039 11.117 ( 4.130 -2.754 0.000) 4.964 11.234 ( -3.912 3.578 0.000) 5.301 11.326 ( -8.329 2.988 0.000) 8.848 11.387 ( -1.951 -2.395 0.000) 3.090 11.411 ( 13.659 6.320 0.000) 15.050 11.465 ( -1.769 -0.497 0.000) 1.837 11.735 ( -14.174 9.117 0.000) 16.853 12.260 ( -6.550 0.432 0.000) 6.564 12.809 ( 4.512 -4.586 0.000) 6.433 12.931 ( 0.019 -2.346 0.000) 2.346 13.115 ( 1.130 3.440 0.000) 3.621 13.566 ( -5.057 19.703 0.000) 20.341 13.739 ( -6.453 -6.869 0.000) 9.425 14.743 ( 5.227 -3.694 0.000) 6.400 14.841 ( 4.867 -2.465 0.000) 5.456 14.856 ( -7.022 -12.063 0.000) 13.957 15.984 ( 7.029 5.262 0.000) 8.781 17.816 ( -3.017 -3.946 0.000) 4.967 18.046 ( -0.748 2.145 0.000) 2.271 18.329 ( 1.823 1.946 0.000) 2.666 18.455 ( -2.391 1.108 0.000) 2.635 20.032 ( -2.391 6.490 0.000) 6.917 20.557 ( -2.017 -2.344 0.000) 3.092 20.804 ( -0.514 -5.588 0.000) 5.611 21.869 ( -1.415 3.667 0.000) 3.931 22.168 ( -3.466 -1.916 0.000) 3.960 22.905 ( 5.634 4.368 0.000) 7.129 23.137 ( 0.195 -3.613 0.000) 3.619 23.798 ( 0.045 -0.049 0.000) 0.067 23.817 ( 0.135 -0.060 0.000) 0.147 23.834 ( 2.734 5.934 0.000) 6.533 23.993 ( -0.751 -1.803 0.000) 1.953 24.288 ( 1.684 3.841 0.000) 4.193 24.317 ( 2.728 -2.754 0.000) 3.877 24.396 ( 3.829 -3.582 0.000) 5.244 24.508 ( -0.261 -4.096 0.000) 4.104 24.849 ( -2.756 6.437 0.000) 7.002 24.925 ( 2.847 -11.913 0.000) 12.248 25.697 ( -12.374 10.605 0.000) 16.297 ======================= Grid point 22 (16/63) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.344 1.766 0.000) 2.219 2.460 ( -2.017 3.757 0.000) 4.264 2.645 ( -0.267 4.662 0.000) 4.670 2.724 ( 3.382 1.974 0.000) 3.916 2.744 ( -3.121 -9.757 0.000) 10.244 2.868 ( 2.125 1.265 0.000) 2.473 2.906 ( -0.195 -6.377 0.000) 6.380 3.138 ( -3.569 -5.406 0.000) 6.478 3.183 ( -1.289 -1.770 0.000) 2.189 3.196 ( 0.813 7.033 0.000) 7.080 3.241 ( -5.207 -5.233 0.000) 7.383 3.788 ( -0.903 12.900 0.000) 12.931 3.852 ( 1.172 -9.265 0.000) 9.338 3.872 ( 3.232 4.182 0.000) 5.285 4.012 ( -0.863 -4.001 0.000) 4.093 4.099 ( -1.350 8.575 0.000) 8.681 4.237 ( -1.107 0.494 0.000) 1.212 4.608 ( 13.237 -7.544 0.000) 15.236 4.822 ( -3.531 -7.504 0.000) 8.293 4.897 ( -3.108 2.603 0.000) 4.054 5.467 ( -0.736 1.634 0.000) 1.792 5.489 ( 2.533 9.861 0.000) 10.181 5.597 ( -0.454 3.220 0.000) 3.251 5.609 ( -1.984 3.457 0.000) 3.986 5.902 ( 0.240 -0.853 0.000) 0.886 5.930 ( -1.346 -6.454 0.000) 6.593 5.979 ( 4.870 -1.805 0.000) 5.194 6.007 ( -3.797 -3.941 0.000) 5.473 6.299 ( 0.485 2.559 0.000) 2.605 6.506 ( -4.772 0.659 0.000) 4.817 6.725 ( 6.032 -15.206 0.000) 16.359 6.810 ( -2.217 -0.212 0.000) 2.228 6.935 ( 2.143 -2.885 0.000) 3.594 7.006 ( -5.218 1.684 0.000) 5.483 7.057 ( -2.276 -2.761 0.000) 3.578 7.235 ( 6.364 -1.520 0.000) 6.543 7.427 ( -7.383 -1.560 0.000) 7.546 7.523 ( 2.510 7.004 0.000) 7.440 7.665 ( -4.753 11.399 0.000) 12.350 8.227 ( 5.313 -5.616 0.000) 7.731 8.337 ( -1.015 -3.953 0.000) 4.081 8.497 ( 4.036 6.130 0.000) 7.339 8.821 ( -0.492 6.921 0.000) 6.939 9.251 ( 1.143 -2.389 0.000) 2.648 9.273 ( 1.988 0.793 0.000) 2.140 9.890 ( 15.254 10.790 0.000) 18.684 10.022 ( -5.604 -0.035 0.000) 5.604 10.073 ( 2.339 5.583 0.000) 6.053 10.381 ( 0.720 -13.080 0.000) 13.100 10.401 ( -8.476 4.022 0.000) 9.382 10.476 ( 0.281 0.589 0.000) 0.652 11.172 ( -2.480 -1.206 0.000) 2.758 11.266 ( 6.828 -3.169 0.000) 7.528 11.311 ( -1.015 -7.373 0.000) 7.442 11.342 ( 1.661 2.918 0.000) 3.357 11.366 ( -0.428 2.740 0.000) 2.773 11.459 ( -8.801 6.810 0.000) 11.128 11.606 ( 0.575 -10.608 0.000) 10.624 12.217 ( -2.841 -1.138 0.000) 3.060 12.909 ( -0.586 -0.894 0.000) 1.069 12.927 ( 3.842 2.187 0.000) 4.421 13.073 ( 0.032 1.647 0.000) 1.647 13.200 ( -5.732 12.354 0.000) 13.619 13.935 ( 2.924 -15.026 0.000) 15.308 14.820 ( 1.828 -0.224 0.000) 1.842 14.884 ( 1.570 1.708 0.000) 2.320 14.971 ( -5.502 -8.164 0.000) 9.845 15.910 ( 3.256 8.998 0.000) 9.569 17.881 ( 1.483 -3.927 0.000) 4.197 17.997 ( -1.938 1.157 0.000) 2.257 18.297 ( 1.707 2.040 0.000) 2.660 18.437 ( -2.024 0.254 0.000) 2.039 19.901 ( -0.593 4.717 0.000) 4.754 20.590 ( -0.802 -2.885 0.000) 2.995 20.951 ( -0.414 -10.732 0.000) 10.739 21.801 ( 0.876 3.683 0.000) 3.786 22.131 ( -3.947 1.581 0.000) 4.252 22.878 ( 3.120 3.883 0.000) 4.981 23.205 ( 0.075 -3.393 0.000) 3.394 23.736 ( 0.783 6.342 0.000) 6.390 23.802 ( 0.043 -0.258 0.000) 0.262 23.816 ( 0.033 0.262 0.000) 0.264 24.026 ( -0.488 -2.573 0.000) 2.619 24.232 ( 1.002 4.183 0.000) 4.302 24.368 ( 3.491 1.787 0.000) 3.922 24.447 ( -0.349 -2.030 0.000) 2.060 24.598 ( 4.411 1.057 0.000) 4.536 24.724 ( -6.267 -1.362 0.000) 6.413 25.206 ( 2.709 -16.237 0.000) 16.462 25.413 ( -5.677 10.599 0.000) 12.023 ======================= Grid point 24 (17/63) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.000 19.635 0.000) 19.635 2.404 ( -0.000 23.683 0.000) 23.683 2.563 ( -0.000 4.192 0.000) 4.192 2.563 ( 0.000 -12.871 0.000) 12.871 2.961 ( 0.000 -6.097 0.000) 6.097 3.005 ( 0.000 -7.087 0.000) 7.087 3.033 ( 0.000 -2.985 0.000) 2.985 3.161 ( 0.000 -7.165 0.000) 7.165 3.206 ( 0.000 -5.141 0.000) 5.141 3.230 ( 0.000 -2.536 0.000) 2.536 3.304 ( 0.000 -4.382 0.000) 4.382 3.614 ( -0.000 1.842 0.000) 1.842 3.760 ( -0.000 14.733 0.000) 14.733 3.894 ( -0.000 5.922 0.000) 5.922 4.048 ( 0.000 -9.075 0.000) 9.075 4.071 ( 0.000 -4.023 0.000) 4.023 4.238 ( 0.000 -0.943 0.000) 0.943 4.731 ( 0.000 -0.609 0.000) 0.609 4.853 ( 0.000 -0.606 0.000) 0.606 5.007 ( 0.000 -8.875 0.000) 8.875 5.381 ( -0.000 7.832 0.000) 7.832 5.431 ( 0.000 -3.152 0.000) 3.152 5.503 ( -0.000 5.323 0.000) 5.323 5.537 ( -0.000 2.876 0.000) 2.876 5.906 ( -0.000 10.777 0.000) 10.777 5.960 ( 0.000 -2.008 0.000) 2.008 5.988 ( -0.000 1.006 0.000) 1.006 6.082 ( 0.000 -10.345 0.000) 10.345 6.281 ( 0.000 -0.409 0.000) 0.409 6.452 ( -0.000 2.381 0.000) 2.381 6.843 ( 0.000 -4.783 0.000) 4.783 6.903 ( -0.000 4.350 0.000) 4.350 6.976 ( 0.000 -6.952 0.000) 6.952 7.001 ( 0.000 -0.611 0.000) 0.611 7.097 ( 0.000 -2.509 0.000) 2.509 7.344 ( -0.000 2.880 0.000) 2.880 7.354 ( 0.000 -4.496 0.000) 4.496 7.437 ( -0.000 2.225 0.000) 2.225 7.551 ( 0.000 -2.687 0.000) 2.687 8.306 ( -0.000 1.741 0.000) 1.741 8.393 ( -0.000 7.403 0.000) 7.403 8.484 ( 0.000 -12.274 0.000) 12.274 8.743 ( -0.000 0.751 0.000) 0.751 9.216 ( -0.000 5.445 0.000) 5.445 9.230 ( -0.000 5.964 0.000) 5.964 9.782 ( -0.000 13.052 0.000) 13.052 9.839 ( -0.000 14.834 0.000) 14.834 9.992 ( 0.000 -0.198 0.000) 0.198 10.314 ( -0.000 1.143 0.000) 1.143 10.416 ( -0.000 4.503 0.000) 4.503 10.547 ( 0.000 -1.895 0.000) 1.895 11.143 ( -0.000 12.834 0.000) 12.834 11.224 ( 0.000 -5.036 0.000) 5.036 11.308 ( -0.000 0.217 0.000) 0.217 11.401 ( 0.000 -5.307 0.000) 5.307 11.444 ( 0.000 -1.219 0.000) 1.219 11.527 ( 0.000 -14.981 0.000) 14.981 11.807 ( 0.000 -10.962 0.000) 10.962 12.254 ( 0.000 -4.901 0.000) 4.901 12.779 ( -0.000 9.389 0.000) 9.389 12.914 ( -0.000 2.671 0.000) 2.671 13.056 ( -0.000 0.506 0.000) 0.506 13.168 ( 0.000 -9.614 0.000) 9.614 14.248 ( 0.000 -16.154 0.000) 16.154 14.776 ( -0.000 6.007 0.000) 6.007 14.822 ( -0.000 5.425 0.000) 5.425 15.048 ( 0.000 -4.421 0.000) 4.421 15.735 ( -0.000 12.323 0.000) 12.323 17.968 ( 0.000 -3.350 0.000) 3.350 17.981 ( 0.000 -1.493 0.000) 1.493 18.303 ( 0.000 -1.285 0.000) 1.285 18.391 ( -0.000 3.047 0.000) 3.047 19.887 ( 0.000 -3.698 0.000) 3.698 20.643 ( 0.000 -3.351 0.000) 3.351 21.147 ( 0.000 -10.536 0.000) 10.536 21.744 ( -0.000 3.890 0.000) 3.890 22.059 ( -0.000 2.653 0.000) 2.653 22.820 ( -0.000 4.785 0.000) 4.785 23.239 ( -0.000 0.172 0.000) 0.172 23.654 ( -0.000 2.506 0.000) 2.506 23.805 ( -0.000 0.013 0.000) 0.013 23.811 ( -0.000 0.210 0.000) 0.210 24.076 ( 0.000 -3.342 0.000) 3.342 24.162 ( -0.000 4.129 0.000) 4.129 24.331 ( -0.000 3.263 0.000) 3.263 24.478 ( 0.000 -0.341 0.000) 0.341 24.493 ( -0.000 7.603 0.000) 7.603 24.813 ( 0.000 -6.938 0.000) 6.938 25.182 ( -0.000 11.462 0.000) 11.462 25.568 ( 0.000 -21.477 0.000) 21.477 ======================= Grid point 29 (18/63) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 28.895 0.000 0.000) 28.895 2.006 ( 19.300 0.000 0.000) 19.300 2.608 ( 4.618 0.000 0.000) 4.618 2.780 ( 3.652 0.000 0.000) 3.652 2.850 ( -17.304 -0.000 0.000) 17.304 2.868 ( 1.548 0.000 0.000) 1.548 3.022 ( -6.628 -0.000 0.000) 6.628 3.103 ( -17.709 -0.000 0.000) 17.709 3.280 ( -1.525 -0.000 0.000) 1.525 3.311 ( -8.052 -0.000 0.000) 8.052 3.347 ( -5.153 -0.000 0.000) 5.153 3.514 ( 20.908 0.000 0.000) 20.908 3.538 ( -1.785 -0.000 0.000) 1.785 3.893 ( -3.217 -0.000 0.000) 3.217 4.375 ( 1.026 0.000 0.000) 1.026 4.376 ( -7.776 -0.000 0.000) 7.776 4.408 ( -2.843 -0.000 0.000) 2.843 4.480 ( -3.756 -0.000 0.000) 3.756 4.749 ( -1.082 -0.000 0.000) 1.082 5.232 ( 18.763 0.000 0.000) 18.763 5.259 ( -5.817 -0.000 0.000) 5.817 5.500 ( -3.912 -0.000 0.000) 3.912 5.598 ( 1.011 0.000 0.000) 1.011 5.632 ( 2.653 0.000 0.000) 2.653 5.738 ( -0.401 -0.000 0.000) 0.401 5.876 ( 3.650 0.000 0.000) 3.650 5.930 ( -10.712 -0.000 0.000) 10.712 5.934 ( 9.486 0.000 0.000) 9.486 6.014 ( -9.901 -0.000 0.000) 9.901 6.425 ( -1.244 -0.000 0.000) 1.244 6.500 ( -13.593 -0.000 0.000) 13.593 6.733 ( 8.956 0.000 0.000) 8.956 6.875 ( 3.138 0.000 0.000) 3.138 7.134 ( -2.541 -0.000 0.000) 2.541 7.247 ( -1.254 -0.000 0.000) 1.254 7.362 ( -9.822 -0.000 0.000) 9.822 7.512 ( 2.708 0.000 0.000) 2.708 7.780 ( 2.433 0.000 0.000) 2.433 7.925 ( -1.471 -0.000 0.000) 1.471 8.173 ( -16.917 -0.000 0.000) 16.917 8.309 ( 5.470 0.000 0.000) 5.470 8.469 ( 8.769 0.000 0.000) 8.769 8.819 ( 11.212 0.000 0.000) 11.212 9.134 ( -5.184 -0.000 0.000) 5.184 9.252 ( 2.649 0.000 0.000) 2.649 9.625 ( 14.275 0.000 0.000) 14.275 9.887 ( 3.736 0.000 0.000) 3.736 9.900 ( 6.578 0.000 0.000) 6.578 10.089 ( -4.752 -0.000 0.000) 4.752 10.288 ( 8.340 0.000 0.000) 8.340 10.697 ( 9.692 0.000 0.000) 9.692 11.135 ( 4.164 0.000 0.000) 4.164 11.183 ( -2.711 -0.000 0.000) 2.711 11.358 ( -5.061 -0.000 0.000) 5.061 11.443 ( -10.619 -0.000 0.000) 10.619 11.561 ( -5.044 -0.000 0.000) 5.044 11.574 ( 22.709 0.000 0.000) 22.709 11.923 ( -15.606 -0.000 0.000) 15.606 12.269 ( -9.267 -0.000 0.000) 9.267 12.668 ( 5.397 0.000 0.000) 5.397 12.846 ( -1.869 -0.000 0.000) 1.869 13.222 ( 2.267 0.000 0.000) 2.267 13.635 ( -12.852 -0.000 0.000) 12.852 14.196 ( -1.500 -0.000 0.000) 1.500 14.402 ( -8.964 -0.000 0.000) 8.964 14.653 ( 6.443 0.000 0.000) 6.443 14.769 ( 6.311 0.000 0.000) 6.311 16.070 ( 7.252 0.000 0.000) 7.252 17.707 ( -6.425 -0.000 0.000) 6.425 18.086 ( 1.564 0.000 0.000) 1.564 18.343 ( 3.453 0.000 0.000) 3.453 18.520 ( -6.895 -0.000 0.000) 6.895 20.082 ( 1.874 0.000 0.000) 1.874 20.542 ( -4.824 -0.000 0.000) 4.824 20.797 ( 1.362 0.000 0.000) 1.362 21.933 ( -5.010 -0.000 0.000) 5.010 22.095 ( 0.173 0.000 0.000) 0.173 23.018 ( 3.623 0.000 0.000) 3.623 23.067 ( 0.202 0.000 0.000) 0.202 23.805 ( 0.097 0.000 0.000) 0.097 23.808 ( 0.102 0.000 0.000) 0.102 23.955 ( 4.559 0.000 0.000) 4.559 23.961 ( -0.601 -0.000 0.000) 0.601 24.207 ( 1.481 0.000 0.000) 1.481 24.257 ( 1.089 0.000 0.000) 1.089 24.382 ( 0.452 0.000 0.000) 0.452 24.472 ( 2.830 0.000 0.000) 2.830 24.688 ( 3.451 0.000 0.000) 3.451 25.016 ( -0.528 -0.000 0.000) 0.528 25.905 ( -16.283 -0.000 0.000) 16.283 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 24.378 -0.325 0.000) 24.380 2.277 ( 10.918 -11.696 0.000) 16.000 2.618 ( -16.526 3.198 0.000) 16.833 2.684 ( 2.378 -3.449 0.000) 4.189 2.725 ( -8.678 3.135 0.000) 9.227 2.825 ( -0.103 4.290 0.000) 4.291 2.996 ( -4.150 -2.874 0.000) 5.048 3.024 ( -9.412 -6.633 0.000) 11.515 3.148 ( -4.266 5.259 0.000) 6.772 3.247 ( -0.654 3.408 0.000) 3.471 3.434 ( -2.855 -10.164 0.000) 10.558 3.475 ( 1.069 5.196 0.000) 5.305 3.828 ( 21.225 -4.117 0.000) 21.621 3.908 ( -0.333 -3.299 0.000) 3.316 4.280 ( -7.128 -3.900 0.000) 8.125 4.301 ( -0.049 8.777 0.000) 8.777 4.339 ( -1.309 4.412 0.000) 4.603 4.513 ( -0.526 5.324 0.000) 5.349 4.551 ( -4.457 5.072 0.000) 6.752 5.147 ( -3.161 6.731 0.000) 7.436 5.469 ( 10.293 -3.449 0.000) 10.856 5.612 ( 0.194 -5.149 0.000) 5.152 5.614 ( -0.689 -9.999 0.000) 10.022 5.658 ( -1.031 -2.813 0.000) 2.996 5.732 ( 0.052 -0.263 0.000) 0.268 5.842 ( -4.956 -0.011 0.000) 4.956 5.845 ( 4.582 4.850 0.000) 6.672 5.968 ( -6.267 -0.836 0.000) 6.322 6.118 ( 5.065 -10.954 0.000) 12.068 6.381 ( -2.701 0.775 0.000) 2.810 6.444 ( -5.714 -3.496 0.000) 6.699 6.849 ( 9.688 -0.966 0.000) 9.737 6.918 ( 3.864 0.009 0.000) 3.864 7.053 ( -5.002 5.145 0.000) 7.176 7.170 ( -9.030 7.378 0.000) 11.661 7.267 ( 0.404 -2.401 0.000) 2.434 7.427 ( -0.822 15.406 0.000) 15.428 7.635 ( 1.325 -7.213 0.000) 7.333 7.983 ( -5.762 4.180 0.000) 7.119 8.286 ( -2.104 8.143 0.000) 8.411 8.340 ( 0.468 -21.805 0.000) 21.810 8.438 ( 6.775 8.668 0.000) 11.002 8.977 ( 8.959 -6.383 0.000) 11.000 9.046 ( -3.098 4.042 0.000) 5.093 9.246 ( -1.173 0.860 0.000) 1.455 9.822 ( 5.297 -9.774 0.000) 11.118 9.981 ( 5.208 -2.690 0.000) 5.862 10.042 ( -3.190 0.645 0.000) 3.255 10.089 ( 1.700 -16.294 0.000) 16.383 10.322 ( 7.396 6.254 0.000) 9.685 10.693 ( 4.115 7.797 0.000) 8.816 11.149 ( 2.145 1.795 0.000) 2.797 11.219 ( -1.958 -2.741 0.000) 3.369 11.285 ( -5.070 0.438 0.000) 5.089 11.314 ( -5.297 2.908 0.000) 6.042 11.499 ( -1.467 2.444 0.000) 2.851 11.682 ( 10.865 7.435 0.000) 13.165 11.745 ( -8.895 5.422 0.000) 10.418 12.197 ( -4.900 -0.419 0.000) 4.918 12.773 ( 4.459 -4.100 0.000) 6.058 12.856 ( -2.051 -4.223 0.000) 4.695 13.200 ( 1.006 3.991 0.000) 4.116 13.567 ( -5.657 -4.138 0.000) 7.009 13.894 ( -2.805 20.564 0.000) 20.755 14.564 ( -3.724 -14.743 0.000) 15.206 14.731 ( 3.560 -2.602 0.000) 4.409 14.842 ( 3.348 -2.139 0.000) 3.973 16.106 ( 3.623 2.333 0.000) 4.309 17.695 ( -3.378 -4.327 0.000) 5.489 18.086 ( 0.594 1.539 0.000) 1.650 18.374 ( 2.944 0.257 0.000) 2.956 18.444 ( -4.356 1.525 0.000) 4.615 20.089 ( -0.018 1.692 0.000) 1.692 20.511 ( -1.832 -1.008 0.000) 2.091 20.778 ( 0.437 1.857 0.000) 1.908 21.885 ( -2.268 1.046 0.000) 2.497 22.118 ( -0.231 -1.875 0.000) 1.889 23.014 ( 2.183 3.238 0.000) 3.905 23.087 ( 0.113 -2.076 0.000) 2.079 23.800 ( 0.031 0.268 0.000) 0.270 23.815 ( 0.073 -0.334 0.000) 0.342 23.954 ( 2.228 3.880 0.000) 4.474 23.964 ( -0.290 -0.656 0.000) 0.717 24.258 ( 0.590 -4.013 0.000) 4.056 24.328 ( 1.637 -6.452 0.000) 6.657 24.361 ( 0.697 2.554 0.000) 2.647 24.484 ( 0.552 0.960 0.000) 1.107 24.782 ( 2.159 -6.747 0.000) 7.084 24.958 ( -0.451 5.785 0.000) 5.802 25.723 ( -8.952 5.128 0.000) 10.316 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 2.831 0.000) 2.831 2.544 ( 0.000 -7.045 0.000) 7.045 2.575 ( -0.000 7.350 0.000) 7.350 2.588 ( 0.000 -15.063 0.000) 15.063 2.725 ( -0.000 3.515 0.000) 3.515 2.783 ( 0.000 -3.743 0.000) 3.743 3.024 ( -0.000 7.951 0.000) 7.951 3.033 ( 0.000 -3.900 0.000) 3.900 3.101 ( 0.000 -6.753 0.000) 6.753 3.176 ( -0.000 2.529 0.000) 2.529 3.357 ( -0.000 8.755 0.000) 8.755 3.632 ( 0.000 -12.846 0.000) 12.846 3.947 ( -0.000 0.181 0.000) 0.181 3.955 ( 0.000 -1.198 0.000) 1.198 4.072 ( -0.000 15.750 0.000) 15.750 4.249 ( -0.000 11.245 0.000) 11.245 4.263 ( -0.000 3.077 0.000) 3.077 4.486 ( 0.000 -16.557 0.000) 16.557 4.622 ( 0.000 -6.238 0.000) 6.238 4.991 ( -0.000 8.021 0.000) 8.021 5.488 ( -0.000 1.419 0.000) 1.419 5.645 ( -0.000 1.553 0.000) 1.553 5.656 ( -0.000 2.888 0.000) 2.888 5.729 ( -0.000 11.895 0.000) 11.895 5.798 ( 0.000 -7.823 0.000) 7.823 5.838 ( 0.000 -2.532 0.000) 2.532 5.889 ( 0.000 -11.939 0.000) 11.939 5.954 ( 0.000 -2.058 0.000) 2.058 6.340 ( -0.000 0.381 0.000) 0.381 6.378 ( 0.000 -10.459 0.000) 10.459 6.516 ( 0.000 -8.994 0.000) 8.994 6.862 ( -0.000 7.017 0.000) 7.017 6.934 ( 0.000 -1.419 0.000) 1.419 6.992 ( -0.000 4.319 0.000) 4.319 6.992 ( 0.000 -2.797 0.000) 2.797 7.265 ( -0.000 2.541 0.000) 2.541 7.344 ( 0.000 -3.643 0.000) 3.643 7.652 ( -0.000 5.591 0.000) 5.591 7.973 ( -0.000 20.413 0.000) 20.413 8.035 ( 0.000 -10.433 0.000) 10.433 8.379 ( -0.000 3.274 0.000) 3.274 8.567 ( 0.000 -2.922 0.000) 2.922 8.938 ( -0.000 6.339 0.000) 6.339 9.172 ( 0.000 -7.629 0.000) 7.629 9.250 ( 0.000 -2.910 0.000) 2.910 10.005 ( -0.000 1.056 0.000) 1.056 10.038 ( 0.000 -7.114 0.000) 7.114 10.113 ( 0.000 -11.570 0.000) 11.570 10.219 ( -0.000 9.197 0.000) 9.197 10.383 ( 0.000 -12.537 0.000) 12.537 10.518 ( -0.000 12.346 0.000) 12.346 11.156 ( 0.000 -3.280 0.000) 3.280 11.165 ( -0.000 2.562 0.000) 2.562 11.223 ( 0.000 -0.756 0.000) 0.756 11.384 ( 0.000 -3.508 0.000) 3.508 11.463 ( 0.000 -2.039 0.000) 2.039 11.563 ( -0.000 9.230 0.000) 9.230 11.564 ( -0.000 10.888 0.000) 10.888 12.184 ( 0.000 -0.781 0.000) 0.781 12.853 ( 0.000 -3.475 0.000) 3.475 12.935 ( 0.000 -3.238 0.000) 3.238 13.126 ( -0.000 4.093 0.000) 4.093 13.499 ( -0.000 21.263 0.000) 21.263 13.689 ( 0.000 -12.204 0.000) 12.204 14.775 ( 0.000 -11.168 0.000) 11.168 14.801 ( 0.000 -2.765 0.000) 2.765 14.895 ( 0.000 -1.462 0.000) 1.462 16.057 ( -0.000 5.454 0.000) 5.454 17.779 ( 0.000 -6.425 0.000) 6.425 18.042 ( -0.000 3.350 0.000) 3.350 18.352 ( -0.000 3.262 0.000) 3.262 18.423 ( 0.000 -0.987 0.000) 0.987 20.009 ( -0.000 6.539 0.000) 6.539 20.536 ( 0.000 -2.441 0.000) 2.441 20.800 ( 0.000 -5.054 0.000) 5.054 21.849 ( -0.000 1.870 0.000) 1.870 22.135 ( -0.000 0.091 0.000) 0.091 22.962 ( -0.000 3.801 0.000) 3.801 23.139 ( 0.000 -3.595 0.000) 3.595 23.799 ( 0.000 -0.055 0.000) 0.055 23.819 ( 0.000 -0.037 0.000) 0.037 23.864 ( -0.000 6.812 0.000) 6.812 23.985 ( 0.000 -1.725 0.000) 1.725 24.309 ( -0.000 3.710 0.000) 3.710 24.351 ( 0.000 -5.501 0.000) 5.501 24.447 ( -0.000 2.777 0.000) 2.777 24.494 ( 0.000 -9.904 0.000) 9.904 24.816 ( -0.000 9.235 0.000) 9.235 24.961 ( 0.000 -12.085 0.000) 12.085 25.555 ( -0.000 8.511 0.000) 8.511 ======================= Grid point 41 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 0.000 0.000) 0.000 2.380 ( -0.000 -0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.993 ( -0.000 -0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.552 ( -0.000 -0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 11.179 ( -0.000 -0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.784 ( -0.000 -0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.726 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.387 ( 0.000 0.000 0.000) 0.000 18.437 ( -0.000 -0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 20.488 ( 0.000 0.000 0.000) 0.000 20.811 ( 0.000 0.000 0.000) 0.000 21.880 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 23.056 ( 0.000 0.000 0.000) 0.000 23.069 ( 0.000 0.000 0.000) 0.000 23.806 ( 0.000 0.000 0.000) 0.000 23.809 ( 0.000 0.000 0.000) 0.000 23.954 ( 0.000 0.000 0.000) 0.000 24.006 ( 0.000 0.000 0.000) 0.000 24.223 ( 0.000 0.000 0.000) 0.000 24.269 ( 0.000 0.000 0.000) 0.000 24.387 ( 0.000 0.000 0.000) 0.000 24.501 ( 0.000 0.000 0.000) 0.000 24.734 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.718 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 73 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 0.000 37.327) 37.327 0.772 ( 0.000 0.000 38.183) 38.183 1.349 ( 0.000 0.000 67.650) 67.650 2.360 ( 0.000 0.000 -12.254) 12.254 2.395 ( 0.000 0.000 -11.664) 11.664 3.293 ( 0.000 0.000 0.401) 0.401 3.300 ( 0.000 0.000 1.373) 1.373 3.320 ( 0.000 0.000 2.798) 2.798 3.360 ( 0.000 0.000 1.267) 1.267 3.778 ( 0.000 0.000 -1.895) 1.895 3.789 ( 0.000 0.000 -2.218) 2.218 3.841 ( 0.000 0.000 2.014) 2.014 4.064 ( 0.000 0.000 -3.711) 3.711 4.175 ( 0.000 0.000 7.414) 7.414 4.252 ( 0.000 0.000 0.364) 0.364 4.453 ( 0.000 0.000 -5.075) 5.075 4.490 ( 0.000 0.000 -0.515) 0.515 4.661 ( 0.000 0.000 6.792) 6.792 4.763 ( 0.000 0.000 -39.009) 39.009 4.779 ( 0.000 0.000 -5.479) 5.479 4.961 ( 0.000 0.000 -9.777) 9.777 5.038 ( 0.000 0.000 8.556) 8.556 5.238 ( 0.000 0.000 -4.144) 4.144 5.470 ( 0.000 0.000 -1.435) 1.435 5.557 ( 0.000 0.000 -0.586) 0.586 5.767 ( 0.000 0.000 3.185) 3.185 5.869 ( 0.000 0.000 -4.130) 4.130 5.997 ( 0.000 0.000 11.096) 11.096 6.602 ( 0.000 0.000 -17.058) 17.058 6.796 ( 0.000 0.000 12.912) 12.912 6.799 ( 0.000 0.000 -10.234) 10.234 6.960 ( 0.000 0.000 0.454) 0.454 7.318 ( 0.000 0.000 3.777) 3.777 7.409 ( 0.000 0.000 13.102) 13.102 7.479 ( 0.000 0.000 -1.369) 1.369 7.565 ( 0.000 0.000 -2.403) 2.403 7.582 ( 0.000 0.000 4.354) 4.354 7.744 ( 0.000 0.000 0.865) 0.865 8.253 ( 0.000 0.000 0.001) 0.001 8.458 ( 0.000 0.000 -0.225) 0.225 8.653 ( 0.000 0.000 2.874) 2.874 8.666 ( 0.000 0.000 17.870) 17.870 8.748 ( 0.000 0.000 14.291) 14.291 9.016 ( 0.000 0.000 -13.473) 13.473 9.308 ( 0.000 0.000 7.510) 7.510 9.322 ( 0.000 0.000 -2.449) 2.449 9.458 ( 0.000 0.000 6.537) 6.537 9.483 ( 0.000 0.000 -8.496) 8.496 9.527 ( 0.000 0.000 6.381) 6.381 9.688 ( 0.000 0.000 -8.265) 8.265 10.266 ( 0.000 0.000 1.845) 1.845 10.277 ( 0.000 0.000 -9.471) 9.471 10.390 ( 0.000 0.000 14.814) 14.814 10.856 ( 0.000 0.000 -5.031) 5.031 11.205 ( 0.000 0.000 -30.442) 30.442 11.406 ( 0.000 0.000 -18.412) 18.412 12.016 ( 0.000 0.000 -1.086) 1.086 12.039 ( 0.000 0.000 -5.805) 5.805 12.785 ( 0.000 0.000 4.856) 4.856 12.794 ( 0.000 0.000 0.283) 0.283 13.011 ( 0.000 0.000 27.895) 27.895 13.176 ( 0.000 0.000 29.803) 29.803 14.339 ( 0.000 0.000 0.826) 0.826 14.412 ( 0.000 0.000 -0.857) 0.857 14.680 ( 0.000 0.000 -15.503) 15.503 14.736 ( 0.000 0.000 -14.320) 14.320 15.057 ( 0.000 0.000 1.115) 1.115 15.136 ( 0.000 0.000 -0.756) 0.756 18.024 ( 0.000 0.000 1.516) 1.516 18.032 ( 0.000 0.000 1.750) 1.750 18.133 ( 0.000 0.000 -0.782) 0.782 18.134 ( 0.000 0.000 -1.110) 1.110 20.080 ( 0.000 0.000 8.065) 8.065 20.665 ( 0.000 0.000 -5.320) 5.320 20.896 ( 0.000 0.000 6.067) 6.067 21.436 ( 0.000 0.000 -6.528) 6.528 22.125 ( 0.000 0.000 -0.109) 0.109 22.300 ( 0.000 0.000 -5.330) 5.330 23.485 ( 0.000 0.000 4.875) 4.875 23.716 ( 0.000 0.000 -1.424) 1.424 23.796 ( 0.000 0.000 -0.060) 0.060 23.798 ( 0.000 0.000 -0.134) 0.134 24.138 ( 0.000 0.000 0.983) 0.983 24.195 ( 0.000 0.000 -0.445) 0.445 24.203 ( 0.000 0.000 0.278) 0.278 24.247 ( 0.000 0.000 -1.191) 1.191 24.390 ( 0.000 0.000 3.272) 3.272 24.563 ( 0.000 0.000 -1.291) 1.291 26.627 ( 0.000 0.000 1.537) 1.537 26.766 ( 0.000 0.000 -1.683) 1.683 ======================= Grid point 74 (23/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 9.382 -18.652 22.962) 31.035 0.968 ( 8.570 -16.014 27.326) 32.811 1.849 ( 18.004 -31.984 49.140) 61.334 2.386 ( 3.737 -0.677 -11.254) 11.877 2.472 ( 0.780 -7.468 -12.627) 14.691 3.284 ( -1.766 1.222 1.438) 2.585 3.296 ( -1.894 -0.318 -0.060) 1.921 3.312 ( -0.375 0.634 1.044) 1.278 3.349 ( 1.196 2.296 1.378) 2.932 3.550 ( -3.490 11.604 -0.668) 12.136 3.658 ( 0.512 14.731 -2.186) 14.901 3.965 ( -8.943 -6.287 -1.922) 11.099 4.088 ( -4.677 -0.424 -3.181) 5.672 4.181 ( 2.195 8.755 -1.267) 9.115 4.214 ( 3.280 3.942 -1.273) 5.284 4.319 ( -2.228 4.921 -2.631) 6.009 4.428 ( -3.807 9.558 -5.488) 11.660 4.736 ( -6.037 -8.836 -3.429) 11.237 4.817 ( -1.556 -7.398 -16.792) 18.415 4.842 ( -0.347 -1.345 -2.792) 3.118 4.914 ( 2.638 -3.840 -6.033) 7.623 5.128 ( 8.171 -4.203 8.314) 12.391 5.432 ( 4.552 -5.787 -12.446) 14.460 5.473 ( 4.313 -3.249 -2.949) 6.153 5.665 ( 5.547 -2.077 -3.176) 6.721 5.796 ( -3.065 -0.881 0.039) 3.189 5.878 ( 2.930 -3.036 -1.660) 4.534 6.005 ( 1.687 -1.178 5.921) 6.269 6.617 ( -1.893 0.907 -9.619) 9.846 6.721 ( -8.904 0.696 -6.025) 10.774 6.805 ( 0.438 -0.869 8.327) 8.384 7.006 ( 3.125 -0.647 -2.280) 3.922 7.242 ( -11.020 4.944 3.582) 12.599 7.325 ( -0.126 10.392 13.729) 17.218 7.393 ( -1.752 11.686 5.375) 12.982 7.428 ( 3.138 6.126 0.687) 6.917 7.599 ( 1.359 1.442 4.164) 4.611 7.733 ( -14.557 16.004 16.914) 27.461 7.807 ( -2.489 4.925 2.191) 5.937 8.115 ( -9.898 19.865 -3.858) 22.527 8.470 ( 5.075 0.300 13.999) 14.894 8.600 ( -5.410 -6.273 3.999) 9.198 8.746 ( 6.034 -4.354 -1.075) 7.518 8.843 ( 2.733 -11.948 4.409) 13.025 8.999 ( 1.933 6.525 -3.169) 7.507 9.278 ( -0.639 1.759 9.409) 9.593 9.398 ( -4.369 -3.097 3.987) 6.677 9.740 ( 4.648 -13.277 -2.889) 14.360 9.943 ( 23.578 -11.892 -0.759) 26.418 10.246 ( -0.953 1.100 -5.198) 5.398 10.298 ( 2.230 -3.587 0.963) 4.332 10.495 ( 0.097 -9.358 9.241) 13.153 10.844 ( 3.148 -3.562 -9.064) 10.235 11.247 ( -2.218 -5.344 -22.279) 23.018 11.288 ( 4.529 -29.221 -30.919) 42.783 11.479 ( 12.902 -11.348 -25.954) 31.127 11.924 ( -2.724 6.884 -1.807) 7.621 12.023 ( 1.638 2.326 -11.635) 11.978 12.675 ( -2.934 7.145 1.566) 7.881 12.716 ( -4.401 7.305 -0.379) 8.536 13.014 ( -1.504 -1.888 25.411) 25.526 13.165 ( -0.750 0.853 26.960) 26.984 14.308 ( -1.852 25.378 -0.156) 25.446 14.390 ( 1.633 -3.141 0.554) 3.583 14.462 ( 2.449 -4.003 -1.063) 4.812 14.584 ( -18.243 3.258 -11.467) 21.792 15.075 ( -6.055 -8.288 6.515) 12.157 15.247 ( 15.896 -0.050 -2.792) 16.139 18.032 ( -1.399 -0.753 2.171) 2.690 18.090 ( -3.359 -1.297 0.394) 3.622 18.177 ( 1.666 -3.694 -0.883) 4.147 18.387 ( 9.806 -6.888 -14.547) 18.847 20.338 ( -6.600 -19.727 -13.302) 24.691 20.554 ( 0.032 8.074 -6.041) 10.084 20.866 ( -2.172 1.736 5.986) 6.601 21.504 ( 7.998 -0.787 -14.585) 16.653 22.143 ( 2.083 -0.286 -1.359) 2.504 22.343 ( 4.511 -1.983 -6.406) 8.082 23.429 ( -0.989 3.465 10.111) 10.734 23.727 ( 1.149 -0.077 -0.973) 1.508 23.796 ( 0.083 0.014 -0.010) 0.085 23.801 ( 0.133 -0.226 -0.167) 0.311 24.178 ( -0.026 -3.450 2.960) 4.546 24.221 ( 0.840 -1.807 0.522) 2.060 24.245 ( 0.633 -1.870 -0.031) 1.975 24.288 ( 2.774 -3.674 0.725) 4.661 24.364 ( 0.405 1.577 4.846) 5.112 24.629 ( 0.536 -6.163 -2.235) 6.578 25.798 ( -21.505 38.573 42.964) 61.613 26.608 ( -7.017 12.922 -2.994) 15.006 ======================= Grid point 75 (24/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 11.162 -20.862 14.717) 27.864 1.502 ( 14.404 -27.856 2.355) 31.448 2.455 ( 5.093 -1.909 -8.525) 10.112 2.578 ( 9.684 -20.574 13.770) 26.584 2.676 ( 8.492 -18.605 3.034) 20.675 3.151 ( -4.411 14.394 0.929) 15.083 3.206 ( -2.816 5.537 -0.828) 6.267 3.232 ( -3.211 7.387 -1.677) 8.227 3.344 ( -4.497 3.310 -0.796) 5.640 3.353 ( -0.932 -0.261 -1.385) 1.690 3.455 ( 0.242 5.190 -1.514) 5.412 3.793 ( -8.407 10.343 -0.856) 13.357 3.847 ( -9.077 13.134 -2.427) 16.149 4.084 ( -2.212 3.331 -2.965) 4.978 4.180 ( -1.052 0.777 -3.385) 3.629 4.224 ( 1.011 7.313 0.507) 7.400 4.343 ( 2.450 0.576 8.026) 8.411 4.740 ( -10.209 -2.457 -5.954) 12.071 4.810 ( 0.419 -0.784 -3.839) 3.941 4.941 ( 1.837 -0.586 -5.878) 6.186 5.130 ( 6.267 -11.718 4.330) 13.977 5.351 ( 6.503 -10.150 3.473) 12.545 5.485 ( 2.197 -1.080 -0.722) 2.552 5.604 ( 4.021 -1.986 -14.235) 14.925 5.667 ( -0.323 2.428 5.485) 6.007 5.766 ( 0.509 0.905 4.128) 4.257 5.953 ( 4.676 -0.060 -6.000) 7.607 6.121 ( 1.068 -8.959 2.634) 9.399 6.475 ( -8.746 4.174 6.580) 11.713 6.639 ( -5.556 3.116 -1.955) 6.664 6.803 ( -3.324 0.046 0.212) 3.331 6.995 ( -3.652 0.057 -2.627) 4.499 7.049 ( 0.274 14.528 7.774) 16.480 7.075 ( -3.015 2.006 1.201) 3.816 7.265 ( 2.725 4.600 4.109) 6.743 7.343 ( 1.284 6.668 8.097) 10.568 7.527 ( 0.403 0.240 -2.863) 2.901 7.608 ( -4.422 4.081 -1.290) 6.154 7.768 ( -0.819 5.542 -6.846) 8.846 7.813 ( 0.480 2.119 -1.910) 2.892 8.481 ( -2.193 0.862 13.019) 13.230 8.671 ( -2.493 -1.437 -7.824) 8.337 8.819 ( -0.934 5.998 0.806) 6.124 8.954 ( 6.277 -12.233 1.350) 13.815 9.208 ( 3.757 -6.789 7.479) 10.776 9.318 ( 5.509 -10.490 8.158) 14.385 9.436 ( -0.370 -5.129 2.287) 5.628 9.943 ( 6.531 -3.996 -8.475) 11.421 10.216 ( 0.659 -1.246 -4.842) 5.044 10.240 ( 6.676 -0.972 -8.664) 10.981 10.493 ( 10.249 -8.204 2.008) 13.281 10.668 ( -1.778 -10.015 5.432) 11.531 11.019 ( 2.682 -12.714 -4.028) 13.604 11.317 ( -0.123 -4.036 -5.952) 7.193 11.407 ( 1.324 0.277 -6.471) 6.611 11.637 ( -4.916 4.102 -3.579) 7.334 11.777 ( -5.604 3.812 -4.218) 7.983 12.013 ( 3.317 5.971 -16.813) 18.147 12.478 ( -4.894 9.120 -1.614) 10.475 12.588 ( 0.667 2.851 -8.689) 9.169 13.035 ( -3.496 -2.674 14.852) 15.491 13.126 ( -1.894 1.904 20.150) 20.328 13.876 ( 0.143 21.183 5.423) 21.866 14.309 ( -19.152 4.461 -8.850) 21.564 14.523 ( 3.433 -7.003 0.835) 7.843 14.597 ( 4.075 -6.690 -1.107) 7.911 15.188 ( -4.535 -9.403 3.080) 10.884 15.404 ( 15.151 0.968 -3.823) 15.656 18.005 ( -4.680 0.927 3.054) 5.665 18.086 ( 1.266 -0.230 2.495) 2.807 18.282 ( 1.713 -5.350 -0.878) 5.686 18.424 ( 1.259 4.993 -5.265) 7.365 20.240 ( -4.467 11.827 0.325) 12.647 20.669 ( -4.910 -12.777 -18.325) 22.873 20.808 ( -2.203 1.689 3.684) 4.613 21.574 ( 4.383 0.375 -17.615) 18.156 22.170 ( 5.467 1.671 -4.042) 7.001 22.437 ( 2.296 -3.893 -8.604) 9.719 23.384 ( -0.460 0.687 13.494) 13.520 23.736 ( 1.669 0.740 0.484) 1.889 23.797 ( 0.066 -0.124 0.063) 0.154 23.807 ( 0.176 -0.184 -0.188) 0.316 24.227 ( -0.104 -2.283 3.268) 3.987 24.259 ( 1.482 0.074 2.633) 3.023 24.274 ( 0.670 -0.445 7.280) 7.324 24.324 ( -0.698 -1.150 4.816) 5.000 24.441 ( 3.668 -5.658 2.869) 7.328 24.775 ( 1.378 -8.975 -3.856) 9.865 25.199 ( -8.468 15.291 24.389) 30.006 26.213 ( -10.471 19.800 -5.306) 23.019 ======================= Grid point 76 (25/63) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 11.009 -19.868 6.811) 23.713 2.108 ( 13.008 -22.997 -4.971) 26.884 2.539 ( 3.346 -1.819 -5.692) 6.848 2.772 ( -0.669 4.085 -11.858) 12.560 2.812 ( -3.665 4.132 -1.480) 5.718 2.996 ( -5.314 7.928 1.348) 9.639 3.039 ( -4.456 4.166 7.345) 9.547 3.083 ( -1.521 5.345 -3.545) 6.591 3.304 ( 0.329 -2.726 4.325) 5.123 3.363 ( -0.904 0.251 -2.822) 2.974 3.406 ( -5.116 1.812 -0.236) 5.433 3.601 ( 0.863 6.973 -1.949) 7.291 3.702 ( 6.081 -10.078 4.487) 12.597 3.999 ( -2.186 2.758 5.508) 6.536 4.062 ( -2.033 6.326 3.232) 7.389 4.212 ( 0.114 0.596 0.374) 0.713 4.331 ( 0.953 1.670 7.577) 7.817 4.652 ( -10.039 1.589 2.987) 10.594 4.828 ( 1.564 0.023 -3.164) 3.530 4.906 ( -0.628 3.274 -4.972) 5.986 5.355 ( 3.131 -4.046 -3.798) 6.372 5.473 ( -1.097 -0.412 -2.945) 3.169 5.531 ( 4.264 -2.844 5.519) 7.532 5.631 ( -0.355 0.195 7.157) 7.169 5.695 ( 4.054 -2.735 -8.329) 9.659 5.844 ( 5.334 -6.661 7.586) 11.418 6.017 ( 2.468 -1.977 -7.298) 7.954 6.211 ( -4.211 -0.178 2.423) 4.861 6.394 ( -3.095 -1.592 6.907) 7.734 6.493 ( 1.618 8.775 -0.088) 8.924 6.772 ( -4.409 -3.868 1.316) 6.011 6.899 ( -4.996 -2.797 0.150) 5.728 6.994 ( 2.596 3.095 -1.072) 4.179 7.060 ( -2.300 -1.302 3.054) 4.039 7.217 ( 3.711 5.553 6.229) 9.133 7.252 ( 2.177 4.550 3.104) 5.923 7.481 ( -1.247 1.793 -3.504) 4.129 7.544 ( 1.001 0.351 -10.125) 10.180 7.743 ( 0.035 4.350 1.454) 4.587 7.768 ( -3.302 -1.632 -8.590) 9.346 8.419 ( -1.166 3.217 6.473) 7.322 8.604 ( -4.179 2.634 -7.209) 8.739 8.757 ( 1.573 2.281 6.963) 7.494 9.194 ( 4.724 -6.021 2.339) 8.002 9.272 ( 0.049 -2.449 15.106) 15.303 9.453 ( -0.209 -2.823 2.010) 3.472 9.707 ( 6.372 -13.033 -3.624) 14.953 10.025 ( 2.641 -0.301 -11.290) 11.599 10.245 ( -0.868 -4.035 -5.650) 6.997 10.328 ( 7.653 -0.971 -13.767) 15.781 10.712 ( 5.974 -4.669 2.278) 7.916 10.781 ( -2.870 -5.895 -1.205) 6.667 11.243 ( 0.582 -8.778 -2.799) 9.232 11.321 ( -2.739 4.419 6.556) 8.367 11.419 ( 3.410 -1.603 -0.064) 3.769 11.519 ( -0.710 1.816 3.805) 4.276 11.679 ( -4.572 1.306 -1.502) 4.986 11.827 ( -4.396 12.076 -7.124) 14.694 12.323 ( -2.331 3.497 -2.772) 5.034 12.596 ( 5.154 0.840 -13.073) 14.077 12.968 ( -6.281 4.919 5.972) 9.966 13.134 ( -0.403 -5.895 11.621) 13.037 13.564 ( 1.464 14.941 9.645) 17.844 14.062 ( -13.163 3.402 -4.996) 14.484 14.687 ( 3.168 -6.406 0.675) 7.178 14.749 ( 3.224 -5.008 -0.764) 6.005 15.292 ( -3.080 -6.189 0.150) 6.914 15.512 ( 9.200 1.190 -4.279) 10.216 17.924 ( -3.817 2.223 4.601) 6.378 18.117 ( 2.587 -0.766 3.272) 4.241 18.276 ( -4.071 4.289 -0.358) 5.924 18.427 ( 3.329 -3.079 -2.108) 5.001 20.016 ( -2.055 8.383 3.919) 9.480 20.733 ( -2.324 0.235 6.196) 6.621 20.827 ( -2.613 -5.895 -20.052) 21.063 21.588 ( 1.533 0.949 -13.450) 13.571 22.194 ( 4.137 1.221 -7.078) 8.289 22.510 ( 0.505 -2.508 -10.033) 10.354 23.384 ( -0.103 -0.629 13.108) 13.123 23.735 ( 1.186 0.992 2.674) 3.089 23.801 ( 0.016 -0.234 0.093) 0.252 23.810 ( 0.137 0.009 -0.156) 0.208 24.254 ( 2.150 1.327 6.199) 6.694 24.257 ( -1.304 -0.957 12.130) 12.238 24.278 ( -0.079 -0.451 3.312) 3.343 24.352 ( -0.021 -1.759 3.209) 3.660 24.566 ( 2.711 -4.077 2.775) 5.628 24.920 ( -2.083 0.642 1.291) 2.533 25.028 ( 2.040 -6.556 0.754) 6.908 25.746 ( -9.755 19.651 -6.380) 22.848 ======================= Grid point 77 (26/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 0.000 2.394) 2.394 2.515 ( 0.000 0.000 -7.980) 7.980 2.517 ( 0.000 -0.000 -3.130) 3.130 2.607 ( 0.000 -0.000 -6.223) 6.223 2.693 ( 0.000 -0.000 -1.605) 1.605 2.909 ( 0.000 -0.000 3.996) 3.996 2.979 ( 0.000 0.000 -0.222) 0.222 3.003 ( 0.000 -0.000 -2.220) 2.220 3.278 ( 0.000 -0.000 -5.320) 5.320 3.324 ( 0.000 -0.000 2.659) 2.659 3.426 ( 0.000 -0.000 3.006) 3.006 3.519 ( 0.000 -0.000 -8.289) 8.289 3.943 ( -0.000 -0.000 6.276) 6.276 3.980 ( 0.000 0.000 8.838) 8.838 4.050 ( -0.000 0.000 2.059) 2.059 4.130 ( 0.000 -0.000 7.186) 7.186 4.318 ( 0.000 -0.000 4.946) 4.946 4.539 ( 0.000 -0.000 7.384) 7.384 4.840 ( 0.000 -0.000 -2.270) 2.270 4.869 ( 0.000 -0.000 -6.491) 6.491 5.366 ( -0.000 -0.000 -0.070) 0.070 5.486 ( 0.000 -0.000 -6.975) 6.975 5.581 ( 0.000 -0.000 7.391) 7.391 5.637 ( 0.000 -0.000 2.544) 2.544 5.764 ( 0.000 -0.000 -2.276) 2.276 5.986 ( 0.000 -0.000 7.307) 7.307 6.015 ( 0.000 -0.000 -10.683) 10.683 6.159 ( 0.000 -0.000 5.484) 5.484 6.402 ( -0.000 -0.000 3.586) 3.586 6.406 ( 0.000 0.000 -0.152) 0.152 6.837 ( 0.000 -0.000 4.443) 4.443 6.906 ( 0.000 -0.000 0.455) 0.455 6.984 ( 0.000 -0.000 -2.787) 2.787 7.038 ( 0.000 -0.000 3.574) 3.574 7.163 ( 0.000 -0.000 2.591) 2.591 7.232 ( 0.000 -0.000 3.316) 3.316 7.511 ( 0.000 -0.000 -4.665) 4.665 7.543 ( 0.000 -0.000 -12.411) 12.411 7.654 ( 0.000 -0.000 5.442) 5.442 7.771 ( 0.000 -0.000 -9.531) 9.531 8.379 ( 0.000 -0.000 5.257) 5.257 8.553 ( 0.000 -0.000 -6.050) 6.050 8.747 ( 0.000 -0.000 9.621) 9.621 9.262 ( -0.000 -0.000 1.445) 1.445 9.298 ( 0.000 -0.000 14.217) 14.217 9.478 ( 0.000 -0.000 2.545) 2.545 9.862 ( 0.000 -0.000 -4.746) 4.746 10.034 ( 0.000 -0.000 -13.854) 13.854 10.290 ( 0.000 -0.000 -11.088) 11.088 10.422 ( 0.000 -0.000 -13.886) 13.886 10.719 ( -0.000 -0.000 7.047) 7.047 10.851 ( 0.000 -0.000 -2.694) 2.694 11.251 ( 0.000 -0.000 6.394) 6.394 11.327 ( 0.000 -0.000 1.759) 1.759 11.496 ( 0.000 -0.000 -0.304) 0.304 11.554 ( 0.000 0.000 3.969) 3.969 11.560 ( 0.000 -0.000 0.748) 0.748 11.667 ( 0.000 -0.000 -4.352) 4.352 12.286 ( 0.000 -0.000 -1.610) 1.610 12.629 ( -0.000 -0.000 -16.720) 16.720 12.856 ( 0.000 -0.000 6.963) 6.963 13.253 ( 0.000 -0.000 5.157) 5.157 13.385 ( 0.000 -0.000 11.706) 11.706 13.958 ( 0.000 -0.000 -1.917) 1.917 14.771 ( 0.000 -0.000 0.476) 0.476 14.812 ( 0.000 -0.000 -0.402) 0.402 15.332 ( -0.000 -0.000 -0.940) 0.940 15.548 ( 0.000 -0.000 -4.500) 4.500 17.880 ( 0.000 -0.000 5.298) 5.298 18.161 ( 0.000 -0.000 5.558) 5.558 18.184 ( 0.000 -0.000 -1.629) 1.629 18.479 ( 0.000 -0.000 -2.395) 2.395 19.927 ( 0.000 -0.000 5.543) 5.543 20.715 ( 0.000 -0.000 7.220) 7.220 20.870 ( 0.000 -0.000 -21.107) 21.107 21.585 ( 0.000 -0.000 -10.815) 10.815 22.206 ( 0.000 -0.000 -8.454) 8.454 22.535 ( 0.000 -0.000 -10.470) 10.470 23.391 ( 0.000 -0.000 12.300) 12.300 23.730 ( 0.000 -0.000 3.988) 3.988 23.804 ( 0.000 -0.000 0.099) 0.099 23.810 ( 0.000 -0.000 -0.133) 0.133 24.251 ( 0.000 -0.000 13.146) 13.146 24.255 ( -0.000 -0.000 9.994) 9.994 24.287 ( 0.000 -0.000 0.517) 0.517 24.370 ( 0.000 -0.000 2.350) 2.350 24.622 ( 0.000 -0.000 3.513) 3.513 24.867 ( 0.000 -0.000 0.773) 0.773 25.245 ( 0.000 -0.000 -5.414) 5.414 25.402 ( 0.000 -0.000 -5.959) 5.959 ======================= Grid point 83 (27/63) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 22.017 0.000 21.218) 30.577 0.986 ( 18.546 0.000 29.324) 34.697 1.818 ( 33.949 0.000 49.300) 59.858 2.411 ( 1.789 0.000 -9.995) 10.154 2.441 ( 6.560 0.000 -14.429) 15.850 3.261 ( -3.032 -0.000 0.259) 3.043 3.278 ( -1.522 -0.000 2.393) 2.836 3.313 ( -1.180 -0.000 1.810) 2.160 3.378 ( 0.932 0.000 0.987) 1.357 3.669 ( -10.282 -0.000 -3.316) 10.803 3.712 ( -7.334 -0.000 0.231) 7.337 3.880 ( -7.347 -0.000 -3.613) 8.187 3.954 ( -9.643 -0.000 -1.706) 9.793 4.216 ( -3.921 -0.000 -0.899) 4.023 4.258 ( 6.964 0.000 3.873) 7.968 4.425 ( -2.850 -0.000 -3.341) 4.392 4.492 ( -1.221 -0.000 -1.843) 2.211 4.565 ( 1.541 0.000 1.663) 2.267 4.697 ( -4.018 -0.000 -25.604) 25.918 4.768 ( -11.275 -0.000 -7.882) 13.757 4.957 ( 13.587 0.000 -6.873) 15.226 5.273 ( 15.889 0.000 2.053) 16.021 5.400 ( 4.396 0.000 -7.616) 8.794 5.511 ( 6.035 0.000 -0.870) 6.097 5.732 ( -0.146 -0.000 4.227) 4.229 5.777 ( 8.107 0.000 -8.038) 11.416 5.840 ( -1.558 -0.000 -3.091) 3.461 6.023 ( 3.192 0.000 6.799) 7.511 6.596 ( -11.261 -0.000 -4.543) 12.143 6.636 ( -0.795 -0.000 -10.679) 10.709 6.796 ( -0.012 -0.000 13.178) 13.178 7.050 ( 4.123 0.000 -3.815) 5.617 7.164 ( -16.548 -0.000 9.289) 18.977 7.385 ( -5.713 -0.000 8.742) 10.443 7.485 ( -5.362 -0.000 -0.136) 5.364 7.499 ( -6.441 -0.000 3.371) 7.270 7.594 ( -16.434 -0.000 9.548) 19.006 7.603 ( 1.505 0.000 -2.530) 2.944 7.817 ( -17.006 -0.000 14.146) 22.121 8.058 ( -14.493 -0.000 -3.021) 14.805 8.531 ( -2.955 -0.000 9.819) 10.254 8.687 ( 19.613 0.000 -1.073) 19.643 8.773 ( 5.580 0.000 20.628) 21.369 8.821 ( 11.822 0.000 -2.761) 12.140 8.904 ( -17.631 -0.000 -4.997) 18.326 9.282 ( -2.437 -0.000 6.062) 6.534 9.546 ( 11.594 0.000 -3.719) 12.176 9.624 ( 8.925 0.000 5.745) 10.614 10.170 ( 31.408 0.000 1.837) 31.462 10.221 ( -3.636 -0.000 -10.191) 10.820 10.250 ( -0.783 -0.000 1.912) 2.066 10.465 ( 9.982 0.000 12.723) 16.171 10.894 ( 3.593 0.000 -4.624) 5.856 11.063 ( 24.555 0.000 -24.835) 34.924 11.196 ( 3.122 0.000 -28.485) 28.655 11.537 ( 11.588 0.000 -24.793) 27.367 11.929 ( -8.209 -0.000 -0.934) 8.262 12.060 ( 2.834 0.000 -20.486) 20.681 12.699 ( -6.659 -0.000 0.893) 6.719 12.706 ( -8.171 -0.000 -0.016) 8.171 12.981 ( -2.510 -0.000 29.109) 29.217 13.164 ( -1.028 -0.000 22.631) 22.654 14.369 ( -10.515 -0.000 -5.254) 11.754 14.399 ( -8.379 -0.000 -3.373) 9.032 14.462 ( 4.758 0.000 -0.826) 4.829 14.622 ( -5.634 -0.000 -15.284) 16.289 14.807 ( -11.899 -0.000 22.816) 25.732 15.433 ( 18.272 0.000 -5.936) 19.212 17.999 ( -2.746 -0.000 2.747) 3.884 18.041 ( 1.022 0.000 1.866) 2.127 18.165 ( 2.955 0.000 -1.257) 3.211 18.466 ( 13.057 0.000 -20.762) 24.526 20.087 ( 0.705 0.000 7.660) 7.692 20.642 ( -0.400 -0.000 -6.577) 6.589 20.841 ( -5.047 -0.000 5.545) 7.498 21.586 ( 6.608 0.000 -26.697) 27.503 22.123 ( -0.052 -0.000 1.131) 1.132 22.440 ( 11.136 0.000 -8.282) 13.878 23.449 ( -2.752 -0.000 8.972) 9.384 23.744 ( 2.735 0.000 -1.709) 3.225 23.798 ( 0.196 0.000 -0.039) 0.200 23.800 ( 0.198 0.000 -0.115) 0.229 24.150 ( 1.103 0.000 0.972) 1.470 24.186 ( -0.022 -0.000 0.607) 0.607 24.268 ( 5.618 0.000 0.516) 5.641 24.291 ( 2.367 0.000 3.680) 4.375 24.389 ( 0.095 0.000 3.614) 3.616 24.574 ( 1.083 0.000 -1.372) 1.748 25.816 ( -42.927 -0.000 42.042) 60.085 26.615 ( -14.031 -0.000 -3.032) 14.355 ======================= Grid point 84 (28/63) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 19.888 -9.649 18.566) 28.868 1.326 ( 28.010 -15.096 5.420) 32.277 2.378 ( 28.352 -19.966 34.605) 48.990 2.481 ( 3.837 -3.067 -11.566) 12.566 2.527 ( 5.001 -4.501 -12.045) 13.796 3.208 ( -6.362 2.274 -0.256) 6.761 3.251 ( -2.014 0.961 2.247) 3.167 3.283 ( -2.800 2.171 0.038) 3.544 3.340 ( -4.672 3.968 0.251) 6.135 3.440 ( -4.477 7.530 -1.228) 8.846 3.583 ( -7.678 10.950 -2.956) 13.696 3.731 ( -11.732 -3.200 -0.574) 12.174 3.861 ( -15.087 2.514 0.769) 15.314 4.153 ( -4.012 0.510 -0.985) 4.163 4.210 ( -1.904 10.666 -7.116) 12.962 4.367 ( 0.408 6.019 1.834) 6.306 4.420 ( 5.234 1.573 -1.348) 5.629 4.598 ( -6.195 -1.560 -6.025) 8.782 4.712 ( -4.679 -5.206 -4.481) 8.310 4.869 ( 5.907 -12.340 -4.490) 14.399 5.100 ( 10.285 0.688 -4.367) 11.194 5.330 ( 6.536 -1.038 0.283) 6.624 5.502 ( 5.372 -1.502 -0.470) 5.598 5.630 ( 7.620 -4.012 -5.524) 10.232 5.728 ( 2.225 0.928 6.661) 7.083 5.790 ( 0.586 3.209 0.524) 3.304 5.895 ( -1.536 -7.338 -4.750) 8.876 6.072 ( 3.906 0.217 -0.713) 3.976 6.424 ( -13.628 2.686 5.779) 15.045 6.629 ( -1.733 2.370 -4.339) 5.239 6.801 ( -2.298 2.264 7.410) 8.082 6.892 ( -14.435 -0.824 7.249) 16.174 7.071 ( -4.273 2.060 -0.985) 4.845 7.214 ( -7.619 6.777 6.683) 12.192 7.361 ( -5.610 2.767 6.788) 9.231 7.407 ( -5.256 1.466 -1.495) 5.658 7.501 ( -0.257 -1.824 1.028) 2.110 7.647 ( -7.971 8.017 1.869) 11.459 7.690 ( 2.970 -2.054 -8.533) 9.266 7.978 ( 0.560 4.013 -8.843) 9.727 8.544 ( -3.325 -5.060 6.142) 8.625 8.608 ( 4.186 7.703 10.469) 13.655 8.831 ( 1.313 -2.414 5.529) 6.174 8.938 ( 7.586 1.289 -5.745) 9.603 9.116 ( 15.935 -14.392 1.276) 21.510 9.254 ( -1.175 -0.370 9.614) 9.692 9.527 ( 12.191 6.550 -1.947) 13.975 9.892 ( 8.348 -9.924 0.138) 12.969 10.200 ( -3.739 -1.936 -9.191) 10.110 10.239 ( 0.425 -0.245 0.737) 0.886 10.467 ( 8.689 -6.925 7.618) 13.472 10.665 ( 23.329 0.772 2.114) 23.437 10.929 ( 5.182 -1.869 -5.437) 7.740 11.227 ( 1.659 -6.593 -14.122) 15.673 11.349 ( 0.679 -6.658 -8.311) 10.670 11.626 ( -0.361 0.211 -7.046) 7.058 11.783 ( -10.387 4.580 -1.058) 11.401 12.082 ( -1.023 0.940 -25.449) 25.487 12.548 ( -9.623 6.232 -0.554) 11.478 12.620 ( -1.804 1.305 -8.826) 9.102 12.965 ( -2.901 -1.286 24.167) 24.375 13.137 ( -1.858 1.525 16.238) 16.415 14.131 ( -21.463 1.680 -7.345) 22.748 14.254 ( -4.370 20.746 2.004) 21.296 14.475 ( 6.069 -3.704 1.021) 7.184 14.558 ( 6.569 -3.753 -1.164) 7.655 14.927 ( -6.801 -12.736 9.355) 17.204 15.599 ( 15.958 1.449 -6.895) 17.445 17.969 ( -3.954 -0.403 3.806) 5.503 18.080 ( 0.641 -1.814 2.121) 2.864 18.219 ( 2.883 -2.576 -1.131) 4.029 18.517 ( 1.160 3.210 -12.649) 13.101 20.205 ( -4.659 -8.253 1.856) 9.657 20.571 ( 1.272 4.922 -7.463) 9.030 20.790 ( -4.701 -0.113 4.139) 6.265 21.623 ( 2.190 0.589 -26.644) 26.740 22.158 ( -0.472 -3.148 -0.581) 3.236 22.522 ( 10.304 2.867 -9.959) 14.614 23.399 ( -1.518 1.786 13.201) 13.407 23.775 ( 3.506 0.572 -1.310) 3.786 23.798 ( 0.134 0.093 0.046) 0.170 23.805 ( 0.267 -0.220 -0.154) 0.379 24.188 ( 0.843 -2.183 3.419) 4.143 24.228 ( 1.062 -3.788 0.076) 3.935 24.291 ( 1.257 0.935 8.104) 8.254 24.345 ( 2.388 1.223 2.229) 3.488 24.392 ( 3.007 -2.819 3.754) 5.575 24.651 ( 1.664 -6.302 -2.417) 6.952 25.328 ( -18.346 12.544 30.334) 37.604 26.347 ( -17.269 10.752 -4.825) 20.908 ======================= Grid point 85 (29/63) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 16.200 -15.558 9.572) 24.415 1.914 ( 23.593 -18.952 -2.983) 30.409 2.551 ( 3.201 -0.904 -11.114) 11.601 2.670 ( 2.947 -7.796 -10.011) 13.026 2.900 ( 0.062 -3.125 12.108) 12.505 3.042 ( -4.005 2.826 2.055) 5.315 3.104 ( -6.947 9.613 -2.802) 12.187 3.166 ( -1.074 5.733 1.402) 5.999 3.241 ( -3.478 -0.140 0.522) 3.520 3.318 ( -2.393 0.877 0.993) 2.735 3.421 ( -6.297 3.809 -4.371) 8.559 3.641 ( 0.214 -1.438 6.606) 6.765 3.699 ( -3.730 2.572 -2.404) 5.129 4.027 ( -2.758 6.008 -1.911) 6.881 4.127 ( -4.610 -1.187 1.631) 5.032 4.260 ( 1.942 6.555 -0.397) 6.848 4.393 ( 1.415 4.712 8.590) 9.899 4.553 ( -6.644 -1.216 1.821) 6.996 4.791 ( -2.524 -5.771 -2.493) 6.774 4.984 ( 2.352 5.259 -5.387) 7.888 5.261 ( 6.114 -10.968 -2.608) 12.825 5.503 ( 8.358 -6.665 -0.824) 10.722 5.530 ( 3.970 4.586 -1.057) 6.158 5.663 ( -0.545 3.717 6.757) 7.732 5.744 ( 5.597 0.503 -2.131) 6.010 5.850 ( 6.229 -3.777 3.274) 7.987 5.956 ( -4.050 -1.135 -7.633) 8.715 6.117 ( -1.993 -4.453 2.697) 5.574 6.299 ( -5.345 -3.461 11.340) 13.006 6.526 ( -5.386 1.475 1.110) 5.693 6.746 ( -2.631 -2.252 -4.794) 5.914 6.816 ( -9.369 4.679 4.279) 11.313 6.974 ( -5.897 -3.255 4.807) 8.275 7.094 ( 1.596 4.927 0.786) 5.238 7.282 ( -5.371 0.564 3.632) 6.508 7.375 ( -4.326 8.214 -0.164) 9.285 7.425 ( -4.322 -3.621 -6.728) 8.779 7.546 ( 3.257 -0.168 -2.350) 4.019 7.708 ( -0.633 2.395 -5.446) 5.983 7.898 ( 5.555 6.840 -2.754) 9.232 8.468 ( -8.743 2.784 -3.737) 9.907 8.630 ( 5.794 2.590 6.333) 8.966 8.863 ( 5.356 3.766 3.462) 7.407 9.071 ( 4.005 -9.896 6.343) 12.418 9.274 ( 3.168 -1.302 11.023) 11.543 9.549 ( 16.484 -5.370 -4.845) 18.001 9.567 ( 10.901 -4.342 -1.105) 11.786 10.042 ( 2.926 -1.193 -6.554) 7.275 10.173 ( -2.410 0.276 -5.277) 5.808 10.321 ( 0.395 -6.660 -6.775) 9.509 10.644 ( 1.931 -6.560 5.286) 8.643 10.810 ( 15.026 2.487 -6.184) 16.438 11.073 ( 2.110 -8.152 -4.400) 9.501 11.355 ( 2.022 -0.524 4.275) 4.758 11.413 ( -0.259 -2.268 -1.365) 2.660 11.548 ( -3.731 3.460 2.210) 5.548 11.613 ( -8.623 1.002 0.187) 8.683 11.938 ( -10.185 7.831 -9.931) 16.238 12.350 ( -6.907 4.673 -3.078) 8.889 12.647 ( 4.109 -1.225 -17.666) 18.179 12.955 ( -3.511 -0.473 11.604) 12.133 13.080 ( -2.308 1.131 12.696) 12.953 13.863 ( -2.110 18.602 7.587) 20.200 13.924 ( -16.308 -0.873 -5.596) 17.263 14.627 ( 6.254 -5.483 0.983) 8.375 14.709 ( 6.379 -4.838 -1.033) 8.073 15.069 ( -6.167 -10.507 5.912) 13.542 15.699 ( 12.469 3.868 -7.107) 14.864 17.928 ( -2.696 0.944 4.563) 5.383 18.109 ( 0.026 -1.346 3.642) 3.882 18.286 ( 0.146 -0.877 -1.504) 1.747 18.436 ( -0.598 2.906 -5.299) 6.073 20.142 ( -4.191 7.345 2.979) 8.966 20.612 ( -1.108 -7.158 -6.434) 9.688 20.752 ( -2.810 -0.572 -0.147) 2.871 21.622 ( 0.429 0.895 -21.218) 21.241 22.193 ( -1.842 -1.715 -3.383) 4.216 22.565 ( 7.995 2.544 -11.234) 14.021 23.374 ( -0.381 -0.027 14.633) 14.638 23.786 ( 3.048 2.029 0.345) 3.678 23.799 ( 0.145 -0.031 0.155) 0.215 23.811 ( 0.283 -0.083 -0.176) 0.343 24.226 ( -0.404 -1.241 10.357) 10.439 24.284 ( 0.855 0.275 5.254) 5.330 24.313 ( 3.630 0.294 2.921) 4.668 24.327 ( 0.937 -1.285 3.667) 3.997 24.505 ( 2.180 -4.989 2.174) 5.862 24.815 ( 2.366 -9.122 -4.048) 10.256 25.029 ( -7.214 6.805 12.839) 16.223 25.933 ( -15.591 15.344 -6.379) 22.786 ======================= Grid point 86 (30/63) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 9.837 -13.725 4.252) 17.413 2.410 ( 11.969 -11.387 -6.447) 17.734 2.561 ( 0.040 0.250 -6.288) 6.293 2.704 ( -3.034 6.110 4.386) 8.110 2.750 ( -3.304 8.043 -11.259) 14.226 2.897 ( -3.402 -2.170 -0.923) 4.140 2.924 ( -4.753 5.308 2.007) 7.402 3.075 ( 0.048 3.203 -1.282) 3.450 3.265 ( -3.972 0.840 -2.204) 4.619 3.276 ( -5.685 -1.386 -0.949) 5.928 3.344 ( -1.397 -4.290 3.150) 5.503 3.622 ( 0.822 6.339 -6.871) 9.384 3.905 ( 7.600 -8.453 6.243) 12.968 3.934 ( 0.306 -2.429 5.446) 5.971 4.071 ( 0.617 3.231 7.881) 8.540 4.200 ( -0.559 2.576 2.153) 3.403 4.326 ( -1.334 3.904 8.588) 9.527 4.513 ( -1.795 -1.863 5.494) 6.073 4.837 ( -0.846 -1.666 -3.033) 3.563 4.911 ( 1.649 3.663 -2.511) 4.738 5.394 ( 0.778 3.744 -1.659) 4.168 5.493 ( 3.046 -1.409 -7.376) 8.104 5.598 ( -1.092 2.434 7.978) 8.412 5.655 ( 5.540 -0.862 4.794) 7.377 5.793 ( 3.061 0.466 -5.128) 5.990 5.911 ( 0.644 -2.662 1.010) 2.919 6.013 ( -2.521 -4.382 -4.419) 6.714 6.097 ( -5.182 -2.857 6.023) 8.443 6.349 ( -1.158 0.375 5.836) 5.961 6.525 ( 1.188 3.791 -4.022) 5.653 6.696 ( -3.385 -8.386 3.919) 9.856 6.814 ( -2.472 -6.758 -2.474) 7.610 6.986 ( -3.201 -0.886 2.709) 4.286 7.036 ( 0.754 1.791 -1.058) 2.213 7.198 ( -6.893 2.676 2.422) 7.781 7.225 ( -2.086 1.676 4.775) 5.474 7.484 ( -4.343 -3.919 -9.243) 10.938 7.574 ( 3.802 5.380 -0.628) 6.618 7.623 ( -0.884 0.088 -0.025) 0.888 7.863 ( 6.325 4.834 -10.565) 13.229 8.343 ( -7.708 -0.636 -0.398) 7.744 8.621 ( 6.397 4.732 2.320) 8.288 8.827 ( 4.246 5.038 7.806) 10.215 9.241 ( 1.724 -3.606 5.171) 6.536 9.332 ( 3.479 -0.733 11.028) 11.587 9.595 ( 12.418 5.583 -0.377) 13.620 9.854 ( 6.907 -4.367 -5.945) 10.106 10.059 ( 1.425 1.679 -9.782) 10.027 10.193 ( -1.938 -4.551 -8.146) 9.530 10.428 ( 1.058 -4.774 -8.544) 9.845 10.689 ( -4.011 0.621 4.781) 6.271 10.915 ( 10.155 0.788 -8.399) 13.202 11.253 ( 0.402 -9.050 -0.333) 9.065 11.289 ( -0.698 3.586 5.674) 6.748 11.397 ( -4.934 -2.380 0.662) 5.518 11.510 ( -2.098 0.224 6.299) 6.643 11.609 ( -0.455 -4.730 1.076) 4.872 11.657 ( -10.826 9.470 -3.683) 14.848 12.264 ( -3.318 -0.380 -2.678) 4.281 12.655 ( -1.687 3.566 -18.937) 19.343 12.904 ( 2.162 2.384 6.925) 7.636 13.134 ( 0.182 -7.950 9.001) 12.011 13.532 ( -4.657 14.435 7.925) 17.113 13.881 ( -3.709 -5.937 -2.243) 7.351 14.763 ( 3.827 -2.820 0.691) 4.804 14.822 ( 3.543 -1.203 -0.629) 3.794 15.169 ( -6.865 -8.169 3.645) 11.276 15.711 ( 8.382 6.988 -6.834) 12.876 17.898 ( 1.092 0.832 5.111) 5.293 18.125 ( -3.189 -1.538 5.541) 6.576 18.234 ( 1.676 3.769 -2.150) 4.652 18.448 ( -1.171 -2.244 -2.853) 3.814 19.978 ( -1.380 6.091 5.285) 8.181 20.684 ( -2.200 -2.522 5.889) 6.774 20.796 ( -0.623 -5.949 -15.620) 16.726 21.604 ( -0.081 1.233 -15.823) 15.871 22.178 ( -3.764 0.120 -4.593) 5.940 22.595 ( 5.736 2.226 -12.524) 13.953 23.383 ( -0.017 -0.788 13.400) 13.423 23.767 ( 1.826 2.777 2.854) 4.381 23.802 ( 0.062 -0.178 0.157) 0.246 23.813 ( 0.132 0.159 -0.148) 0.254 24.222 ( -1.628 -0.258 13.876) 13.974 24.291 ( 1.013 0.955 6.445) 6.593 24.311 ( 3.154 1.115 3.249) 4.663 24.394 ( 3.808 -0.584 0.877) 3.951 24.595 ( 0.284 -3.078 3.105) 4.381 24.849 ( -4.564 1.594 2.154) 5.292 25.089 ( 3.437 -13.389 -4.022) 14.396 25.526 ( -10.701 14.126 -6.605) 18.913 ======================= Grid point 87 (31/63) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -6.429 14.834 4.624) 16.816 2.410 ( -4.526 19.313 -5.034) 20.465 2.539 ( 0.712 -3.218 -2.401) 4.078 2.598 ( -0.398 -3.809 0.476) 3.859 2.810 ( 2.978 -7.503 -11.633) 14.159 2.963 ( 5.066 -8.789 1.514) 10.257 2.990 ( 1.965 -5.950 0.173) 6.268 3.010 ( 1.753 4.230 2.181) 5.072 3.276 ( -1.253 -3.853 -1.324) 4.262 3.287 ( -2.976 -4.913 -1.990) 6.079 3.416 ( -0.828 -5.242 2.488) 5.861 3.513 ( -0.355 3.214 -4.539) 5.573 3.887 ( -2.735 7.271 3.866) 8.677 3.983 ( -0.752 8.753 13.002) 15.691 4.082 ( 5.101 -0.005 4.456) 6.773 4.142 ( -1.494 -5.153 1.708) 5.630 4.276 ( -3.497 -2.079 4.135) 5.801 4.666 ( 9.719 -6.594 5.032) 12.778 4.862 ( 1.402 -1.487 -2.112) 2.939 4.873 ( 1.316 2.869 -3.849) 4.978 5.352 ( -0.498 -0.683 -2.822) 2.946 5.510 ( -0.095 2.032 -3.851) 4.355 5.547 ( -0.859 2.577 8.261) 8.696 5.653 ( -1.407 2.676 7.635) 8.211 5.759 ( 1.072 4.523 -6.388) 7.901 5.944 ( -1.021 4.896 4.730) 6.884 5.980 ( -3.467 -0.367 -9.432) 10.055 6.164 ( -1.489 -7.157 2.320) 7.669 6.338 ( -2.412 -2.659 3.208) 4.814 6.434 ( -0.066 2.526 -0.909) 2.685 6.860 ( 1.901 -4.844 1.476) 5.409 6.920 ( -2.896 -2.447 -0.948) 3.908 6.955 ( 1.783 -1.478 2.042) 3.088 7.042 ( -1.867 -1.285 2.984) 3.747 7.125 ( -2.866 -0.879 -1.655) 3.424 7.196 ( 2.390 0.946 3.402) 4.263 7.456 ( -2.350 2.268 0.813) 3.366 7.491 ( -5.578 -2.428 -6.452) 8.868 7.653 ( -2.363 -2.012 -1.661) 3.520 7.861 ( 5.564 2.826 -12.743) 14.189 8.372 ( 0.236 -6.164 -2.079) 6.509 8.619 ( 5.507 1.588 -0.856) 5.795 8.787 ( 3.046 3.580 13.955) 14.725 9.240 ( -0.507 3.636 1.940) 4.152 9.351 ( 3.164 2.459 13.377) 13.964 9.606 ( 10.194 6.976 3.127) 12.742 9.857 ( -1.733 6.838 -6.404) 9.527 10.023 ( -1.602 3.068 -7.024) 7.830 10.206 ( -2.373 -0.854 -11.730) 11.999 10.388 ( -4.225 7.038 -5.924) 10.123 10.681 ( -4.621 -2.405 4.487) 6.875 10.961 ( 9.555 5.254 -7.216) 13.076 11.280 ( 2.247 -2.521 4.967) 6.006 11.315 ( -1.172 1.684 1.443) 2.508 11.392 ( -6.334 -0.309 -3.285) 7.142 11.491 ( -3.759 -1.299 2.584) 4.743 11.568 ( -1.682 -9.707 1.442) 9.957 11.710 ( 2.000 -5.335 -5.579) 7.974 12.274 ( -0.928 -2.942 -0.377) 3.107 12.547 ( -4.613 2.044 -14.882) 15.714 12.962 ( 7.195 -2.603 7.282) 10.563 13.265 ( -0.529 8.456 8.464) 11.976 13.308 ( -4.718 -10.036 9.411) 14.545 14.046 ( 6.633 -10.050 -6.206) 13.547 14.772 ( 0.047 4.319 0.211) 4.324 14.815 ( 0.236 3.892 -0.444) 3.924 15.215 ( -7.678 -5.216 2.846) 9.709 15.624 ( 4.272 9.888 -5.678) 12.176 17.936 ( 4.817 -1.638 5.215) 7.286 18.095 ( -3.169 0.023 4.710) 5.677 18.252 ( 3.373 -1.866 -0.434) 3.879 18.432 ( -4.137 1.317 -2.395) 4.958 19.932 ( 0.393 -1.842 5.424) 5.742 20.711 ( -0.292 -2.513 6.927) 7.374 20.883 ( 1.088 -2.682 -21.442) 21.637 21.580 ( -0.465 1.056 -12.971) 13.022 22.121 ( -5.643 0.431 -3.296) 6.549 22.596 ( 3.803 3.444 -13.093) 14.062 23.391 ( 0.004 -0.030 12.274) 12.274 23.736 ( 0.421 1.711 4.110) 4.471 23.805 ( 0.064 0.021 0.064) 0.093 23.810 ( -0.021 0.177 -0.112) 0.210 24.215 ( -1.314 -0.769 10.390) 10.501 24.285 ( 0.887 0.700 11.081) 11.139 24.311 ( 1.924 2.028 1.698) 3.271 24.414 ( 3.905 2.666 1.942) 5.111 24.588 ( -3.107 2.097 3.364) 5.037 24.855 ( -0.925 -5.603 2.271) 6.116 25.173 ( -4.419 11.079 -5.679) 13.211 25.466 ( 3.729 -18.501 -6.048) 19.818 ======================= Grid point 88 (32/63) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -4.482 21.775 11.847) 25.191 1.924 ( -4.830 28.357 -0.724) 28.775 2.468 ( -2.379 3.891 -4.897) 6.692 2.769 ( -0.218 7.715 -17.472) 19.100 2.869 ( 1.369 -16.714 2.169) 16.909 2.991 ( -2.273 12.895 12.619) 18.185 3.110 ( 0.431 -7.563 -2.679) 8.035 3.149 ( 4.098 -3.356 5.569) 7.686 3.285 ( -0.942 -3.232 -0.162) 3.371 3.366 ( -0.494 -4.188 -1.798) 4.584 3.455 ( 0.674 4.854 -0.637) 4.942 3.618 ( 1.606 -13.488 1.032) 13.623 3.670 ( 0.549 -5.109 0.421) 5.155 4.032 ( 2.039 -6.285 7.561) 10.042 4.114 ( 0.276 -0.026 -2.184) 2.201 4.210 ( 0.868 -1.619 -1.234) 2.213 4.299 ( -1.425 -3.323 8.910) 9.616 4.782 ( 0.351 -1.204 0.737) 1.455 4.841 ( -0.273 0.853 -5.056) 5.135 4.941 ( 6.409 -0.660 -7.412) 9.821 5.288 ( -2.179 10.051 3.943) 11.015 5.466 ( -4.224 2.947 0.750) 5.205 5.506 ( 2.798 2.546 4.528) 5.901 5.592 ( -2.894 -1.688 5.095) 6.098 5.703 ( 4.192 4.397 -10.483) 12.116 5.767 ( -2.138 6.488 1.745) 7.050 5.930 ( -4.672 2.438 -5.513) 7.627 6.238 ( -0.401 2.950 0.883) 3.105 6.457 ( 1.653 -4.467 5.638) 7.380 6.465 ( -0.217 -15.149 0.765) 15.170 6.865 ( -5.288 0.704 -0.101) 5.336 6.890 ( 5.687 3.112 -1.011) 6.561 7.013 ( 3.106 -2.823 0.176) 4.201 7.081 ( 1.724 -1.988 2.339) 3.521 7.124 ( -5.989 -4.474 0.334) 7.482 7.281 ( 5.579 -2.562 5.241) 8.072 7.466 ( -6.717 -2.692 -2.150) 7.549 7.509 ( 0.894 -8.497 -1.040) 8.607 7.648 ( -4.192 -1.099 0.404) 4.353 7.848 ( 1.414 2.386 -15.540) 15.785 8.522 ( 5.310 -6.390 -3.674) 9.084 8.675 ( 4.416 -0.275 2.875) 5.276 8.758 ( -0.967 0.370 10.224) 10.277 9.108 ( -2.080 9.560 1.623) 9.917 9.317 ( 2.770 4.537 16.602) 17.432 9.514 ( 0.889 13.974 1.612) 14.095 9.618 ( -0.476 12.020 1.693) 12.148 9.930 ( -5.200 2.621 -8.274) 10.118 10.204 ( -0.657 1.323 -11.074) 11.172 10.254 ( -0.962 2.864 -4.701) 5.588 10.550 ( -7.026 7.445 1.868) 10.406 10.905 ( 5.546 11.011 1.637) 12.437 11.227 ( -0.863 8.540 -9.852) 13.067 11.340 ( -2.592 -1.717 -1.216) 3.338 11.389 ( 2.557 0.941 4.483) 5.246 11.534 ( 0.849 -9.182 -0.820) 9.258 11.729 ( -0.381 -8.143 -4.192) 9.166 11.841 ( -0.944 -7.550 -10.934) 13.321 12.358 ( 1.012 -6.950 -1.631) 7.210 12.522 ( -1.661 -2.529 -10.423) 10.853 13.084 ( 4.178 -2.490 13.545) 14.392 13.137 ( -0.659 3.240 14.180) 14.560 13.522 ( -1.614 -16.811 5.637) 17.804 14.330 ( 9.895 -10.893 -10.799) 18.253 14.641 ( -1.330 8.423 0.234) 8.531 14.701 ( -1.224 7.586 -0.896) 7.736 15.199 ( -7.365 -1.928 3.200) 8.258 15.458 ( 1.217 11.424 -3.162) 11.916 18.029 ( 4.380 -1.964 4.114) 6.322 18.077 ( -0.352 -0.439 4.096) 4.134 18.328 ( -4.294 2.085 -1.950) 5.156 18.342 ( 1.243 -2.382 -0.748) 2.789 20.051 ( 1.064 -10.264 2.872) 10.712 20.766 ( 0.796 -3.169 6.789) 7.534 20.895 ( 2.873 4.250 -27.685) 28.157 21.550 ( -1.684 1.496 -12.439) 12.641 22.067 ( -4.998 -1.172 -0.178) 5.136 22.543 ( 1.703 5.722 -12.510) 13.862 23.386 ( 0.051 0.419 12.793) 12.800 23.720 ( -0.316 0.213 2.694) 2.720 23.801 ( -0.011 0.312 0.044) 0.316 23.808 ( -0.033 0.080 -0.155) 0.177 24.224 ( -0.723 -1.269 5.887) 6.065 24.275 ( 0.847 2.017 4.658) 5.146 24.288 ( -0.008 1.125 9.560) 9.626 24.387 ( 2.747 3.913 3.496) 5.923 24.493 ( -3.705 3.977 2.443) 5.959 24.932 ( -0.261 8.966 -4.436) 10.007 25.017 ( 0.332 -9.214 11.096) 14.426 25.893 ( 3.926 -23.260 -6.108) 24.367 ======================= Grid point 89 (33/63) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 22.745 20.206) 30.424 1.349 ( -0.000 31.565 6.400) 32.207 2.395 ( -0.000 2.509 -7.778) 8.172 2.412 ( -0.000 36.484 34.269) 50.055 2.627 ( -0.000 9.938 -16.151) 18.964 3.189 ( 0.000 -15.126 1.446) 15.195 3.242 ( 0.000 -5.766 -0.117) 5.767 3.261 ( 0.000 -4.072 -1.089) 4.215 3.365 ( -0.000 3.970 -0.644) 4.022 3.386 ( 0.000 -7.917 -0.520) 7.934 3.449 ( 0.000 -6.725 -0.380) 6.736 3.888 ( 0.000 -15.250 -0.107) 15.250 3.961 ( 0.000 -18.855 -3.097) 19.108 4.099 ( -0.000 1.291 -4.902) 5.070 4.193 ( -0.000 3.799 -2.767) 4.700 4.214 ( 0.000 -11.150 -3.798) 11.779 4.327 ( 0.000 -0.398 9.583) 9.591 4.795 ( 0.000 -0.869 -2.125) 2.296 4.858 ( 0.000 -2.782 -5.398) 6.073 4.937 ( -0.000 4.571 -16.176) 16.809 5.051 ( -0.000 13.435 9.277) 16.327 5.265 ( -0.000 13.560 8.245) 15.869 5.446 ( -0.000 0.797 3.373) 3.465 5.583 ( -0.000 6.987 -20.902) 22.039 5.707 ( -0.000 1.823 -2.189) 2.849 5.786 ( 0.000 -7.629 1.432) 7.762 5.844 ( -0.000 1.942 -0.957) 2.165 6.098 ( -0.000 9.263 2.699) 9.648 6.573 ( 0.000 -5.984 2.099) 6.342 6.734 ( 0.000 -6.640 -9.832) 11.864 6.814 ( -0.000 1.060 4.557) 4.679 7.014 ( 0.000 -16.470 9.829) 19.180 7.029 ( -0.000 2.637 -2.623) 3.719 7.165 ( 0.000 -9.625 2.828) 10.032 7.234 ( 0.000 -8.389 6.893) 10.857 7.314 ( -0.000 0.155 4.520) 4.523 7.519 ( 0.000 -7.427 4.695) 8.786 7.610 ( -0.000 1.338 3.400) 3.654 7.747 ( 0.000 -14.891 -1.297) 14.947 7.833 ( 0.000 -2.095 -13.195) 13.360 8.584 ( -0.000 8.993 21.244) 23.069 8.671 ( 0.000 -3.407 -8.751) 9.391 8.834 ( 0.000 -7.675 -6.760) 10.227 8.893 ( -0.000 12.657 2.647) 12.931 9.145 ( -0.000 20.884 3.025) 21.102 9.274 ( -0.000 1.767 16.207) 16.303 9.497 ( -0.000 5.099 6.776) 8.480 9.837 ( -0.000 4.223 -9.856) 10.723 10.112 ( -0.000 9.482 -6.841) 11.692 10.241 ( -0.000 0.115 -3.856) 3.858 10.368 ( -0.000 7.287 2.391) 7.669 10.708 ( -0.000 12.905 6.030) 14.244 10.987 ( -0.000 13.980 -5.734) 15.111 11.345 ( -0.000 4.332 -12.655) 13.376 11.371 ( 0.000 -2.186 -8.376) 8.657 11.758 ( 0.000 -11.761 -1.015) 11.805 11.772 ( -0.000 7.543 -22.507) 23.738 11.937 ( 0.000 -5.444 -10.401) 11.740 12.529 ( 0.000 -10.362 -1.140) 10.425 12.594 ( 0.000 -6.365 -4.672) 7.896 13.075 ( -0.000 3.262 15.897) 16.228 13.147 ( 0.000 -1.687 25.933) 25.988 13.872 ( 0.000 -22.814 2.761) 22.981 14.484 ( -0.000 7.541 0.510) 7.558 14.554 ( -0.000 7.365 -1.118) 7.449 14.577 ( 0.000 -8.828 -13.522) 16.148 15.160 ( -0.000 0.468 2.984) 3.020 15.265 ( -0.000 10.387 0.890) 10.425 18.048 ( -0.000 0.524 2.800) 2.848 18.115 ( 0.000 -1.215 2.249) 2.556 18.224 ( -0.000 4.240 -1.484) 4.492 18.409 ( 0.000 -1.459 -4.958) 5.168 20.289 ( 0.000 -14.662 -0.696) 14.679 20.757 ( -0.000 14.215 -33.444) 36.340 20.830 ( 0.000 -3.128 6.595) 7.299 21.495 ( -0.000 2.602 -9.250) 9.609 22.080 ( 0.000 -3.275 0.221) 3.282 22.432 ( -0.000 7.279 -10.206) 12.536 23.389 ( 0.000 -1.097 12.857) 12.903 23.719 ( 0.000 -0.262 0.561) 0.619 23.796 ( -0.000 0.157 0.031) 0.160 23.805 ( -0.000 0.245 -0.193) 0.312 24.233 ( -0.000 0.840 0.546) 1.002 24.251 ( -0.000 0.085 0.831) 0.835 24.252 ( -0.000 3.212 9.512) 10.039 24.350 ( -0.000 1.264 5.185) 5.337 24.382 ( -0.000 6.001 2.189) 6.388 24.761 ( -0.000 8.708 -3.757) 9.484 25.305 ( 0.000 -22.725 30.432) 37.981 26.325 ( 0.000 -21.631 -4.706) 22.137 ======================= Grid point 92 (34/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 24.674 0.000 18.409) 30.785 1.516 ( 32.389 0.000 3.910) 32.624 2.454 ( 10.084 0.000 4.026) 10.858 2.516 ( 22.578 0.000 16.913) 28.211 2.559 ( 3.766 0.000 -19.505) 19.866 3.155 ( -8.015 -0.000 0.917) 8.067 3.236 ( -3.411 -0.000 6.120) 7.006 3.274 ( -2.057 -0.000 -1.158) 2.360 3.321 ( -8.614 -0.000 -1.267) 8.706 3.498 ( -3.039 -0.000 -1.258) 3.289 3.513 ( -10.653 -0.000 1.114) 10.711 3.604 ( -13.160 -0.000 3.129) 13.527 3.713 ( -12.640 -0.000 0.875) 12.670 4.103 ( -6.528 -0.000 4.482) 7.918 4.314 ( -0.015 -0.000 -2.796) 2.796 4.401 ( -6.501 -0.000 -4.926) 8.156 4.438 ( 2.415 0.000 -0.104) 2.417 4.619 ( -2.088 -0.000 -0.064) 2.089 4.654 ( -1.574 -0.000 -14.351) 14.437 4.772 ( 14.704 0.000 -4.442) 15.360 5.272 ( 16.187 0.000 -8.511) 18.288 5.320 ( -7.113 -0.000 -5.373) 8.914 5.511 ( 2.060 0.000 -0.533) 2.128 5.696 ( 7.693 0.000 -4.590) 8.959 5.723 ( 5.313 0.000 11.369) 12.549 5.824 ( -0.215 -0.000 1.266) 1.284 5.857 ( 1.097 0.000 0.175) 1.110 6.099 ( 1.641 0.000 -0.917) 1.880 6.296 ( -14.821 -0.000 7.658) 16.682 6.648 ( -2.222 -0.000 -12.296) 12.495 6.699 ( -17.714 -0.000 15.817) 23.748 6.807 ( -1.169 -0.000 10.994) 11.056 6.991 ( -12.354 -0.000 4.032) 12.996 7.203 ( -3.449 -0.000 3.399) 4.842 7.286 ( -5.730 -0.000 2.349) 6.192 7.382 ( -2.823 -0.000 -7.294) 7.822 7.532 ( -4.266 -0.000 -2.145) 4.775 7.673 ( 1.399 0.000 -11.494) 11.579 7.733 ( 1.166 0.000 2.122) 2.421 7.951 ( 5.863 0.000 -15.008) 16.113 8.533 ( -17.775 -0.000 -2.206) 17.911 8.560 ( 3.226 0.000 15.885) 16.209 8.927 ( 9.067 0.000 22.554) 24.309 9.048 ( 5.931 0.000 -10.805) 12.326 9.160 ( 23.861 0.000 -3.470) 24.112 9.246 ( 2.045 0.000 9.612) 9.827 9.741 ( 7.444 0.000 -3.320) 8.151 9.842 ( 10.677 0.000 8.001) 13.342 10.119 ( -5.656 -0.000 -7.407) 9.319 10.252 ( 1.844 0.000 2.409) 3.034 10.515 ( 9.846 0.000 7.091) 12.134 10.983 ( 12.707 0.000 -3.562) 13.197 11.015 ( 25.428 0.000 3.674) 25.692 11.156 ( 1.133 0.000 -19.925) 19.957 11.287 ( 0.551 0.000 -3.339) 3.384 11.623 ( -2.453 -0.000 -5.883) 6.374 11.702 ( -12.979 -0.000 -0.401) 12.985 12.044 ( -8.262 -0.000 -24.282) 25.649 12.490 ( -11.938 -0.000 -0.558) 11.951 12.611 ( -0.675 -0.000 -14.144) 14.160 12.924 ( -2.880 -0.000 25.172) 25.336 13.137 ( -1.532 -0.000 11.462) 11.564 13.916 ( -21.010 -0.000 -8.000) 22.481 14.459 ( -8.269 -0.000 -13.216) 15.590 14.517 ( 6.552 0.000 0.044) 6.552 14.591 ( 6.796 0.000 1.989) 7.081 14.684 ( -1.090 -0.000 26.363) 26.386 15.764 ( 13.437 0.000 -8.352) 15.822 17.906 ( -6.081 -0.000 4.952) 7.842 18.076 ( 2.276 0.000 2.601) 3.456 18.242 ( 4.146 0.000 -1.588) 4.440 18.537 ( -3.000 -0.000 -13.155) 13.493 20.109 ( 1.393 0.000 6.689) 6.832 20.659 ( 1.621 0.000 -8.830) 8.977 20.713 ( -6.687 -0.000 5.019) 8.360 21.632 ( -0.751 -0.000 -29.208) 29.218 22.129 ( 0.613 0.000 3.408) 3.463 22.648 ( 8.049 0.000 -12.024) 14.469 23.399 ( -1.822 -0.000 13.972) 14.091 23.802 ( 0.198 0.000 -0.005) 0.198 23.804 ( 0.186 0.000 -0.060) 0.195 23.825 ( 4.897 0.000 -2.322) 5.420 24.180 ( 1.725 0.000 0.806) 1.904 24.197 ( 0.822 0.000 3.436) 3.533 24.302 ( -1.285 -0.000 12.323) 12.390 24.395 ( 5.892 0.000 1.050) 5.985 24.403 ( 1.114 0.000 3.075) 3.270 24.608 ( 2.247 0.000 -1.666) 2.797 25.253 ( -15.238 -0.000 22.578) 27.239 26.242 ( -20.716 -0.000 -5.462) 21.424 ======================= Grid point 93 (35/63) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 23.176 -3.922 11.893) 26.343 1.927 ( 27.898 -9.616 1.466) 29.546 2.555 ( 3.079 -2.621 -10.528) 11.278 2.599 ( 2.721 -2.881 -12.380) 12.998 2.815 ( 6.626 -7.481 12.636) 16.110 3.016 ( -11.885 3.336 0.558) 12.357 3.156 ( -8.017 3.568 2.428) 9.105 3.188 ( -6.266 2.669 1.193) 6.914 3.236 ( -2.978 2.002 -3.743) 5.185 3.360 ( -7.382 3.724 1.154) 8.348 3.432 ( -0.964 6.020 2.493) 6.587 3.579 ( -1.745 -5.539 1.662) 6.040 3.644 ( -1.971 -3.680 6.372) 7.618 4.038 ( -5.901 -0.269 5.349) 7.969 4.185 ( -0.658 10.508 -6.789) 12.528 4.320 ( -3.930 1.878 -1.762) 4.698 4.470 ( -0.146 0.743 1.506) 1.685 4.563 ( 0.878 5.313 2.398) 5.895 4.647 ( -2.235 -4.574 -1.626) 5.344 5.056 ( 10.153 -8.247 -10.313) 16.657 5.180 ( -1.444 2.566 -2.840) 4.091 5.494 ( 12.110 -4.931 -5.189) 14.068 5.581 ( -3.810 -7.600 -2.483) 8.857 5.717 ( 3.461 2.036 -3.923) 5.614 5.771 ( -0.147 3.184 9.019) 9.565 5.804 ( 1.865 1.334 6.124) 6.539 5.931 ( 6.066 -4.721 -0.428) 7.698 6.099 ( -2.369 0.604 0.481) 2.492 6.169 ( -9.616 -2.489 10.556) 14.494 6.518 ( -7.053 3.432 6.016) 9.885 6.615 ( -10.338 -3.180 -5.423) 12.099 6.818 ( 0.139 -0.807 8.208) 8.249 6.878 ( -5.573 1.867 0.530) 5.901 7.160 ( -2.770 1.732 1.407) 3.557 7.219 ( -6.524 1.466 -1.162) 6.787 7.335 ( -1.559 -0.510 -7.522) 7.698 7.430 ( -6.289 10.279 0.137) 12.051 7.546 ( 0.063 -3.804 -3.632) 5.260 7.881 ( 10.354 3.480 -13.391) 17.281 8.031 ( 3.332 2.005 -6.377) 7.469 8.338 ( -12.840 -1.354 -3.309) 13.328 8.664 ( 3.124 -6.021 13.867) 15.437 8.992 ( 8.825 2.476 18.947) 21.048 9.037 ( 0.604 1.185 -4.669) 4.855 9.288 ( 5.369 0.671 8.128) 9.764 9.500 ( 18.444 -10.613 -4.949) 21.848 9.758 ( 9.041 2.980 -3.688) 10.209 10.037 ( 1.613 -2.753 -1.688) 3.610 10.128 ( 1.007 -9.398 0.420) 9.461 10.258 ( 3.851 2.794 2.415) 5.336 10.604 ( 6.133 -0.185 4.997) 7.914 11.019 ( 6.397 2.856 -4.738) 8.458 11.095 ( 8.416 4.846 -13.698) 16.791 11.325 ( -0.230 -4.862 2.061) 5.285 11.378 ( 10.657 -2.305 1.190) 10.969 11.540 ( -9.694 2.298 0.447) 9.973 11.573 ( -3.849 1.601 0.027) 4.168 11.902 ( -14.096 2.813 -14.183) 20.194 12.335 ( -10.108 3.233 -1.515) 10.720 12.639 ( 2.344 -2.426 -21.808) 22.067 12.911 ( -1.978 -1.527 17.629) 17.805 13.093 ( -2.233 2.655 9.790) 10.386 13.728 ( -16.395 -1.481 -7.055) 17.909 14.154 ( -5.625 17.335 0.992) 18.251 14.622 ( 7.509 -3.061 1.168) 8.193 14.708 ( 7.187 -3.464 -0.800) 8.018 14.820 ( -3.376 -10.986 16.171) 19.839 15.869 ( 10.128 1.945 -8.853) 13.591 17.867 ( -5.730 -2.520 5.889) 8.594 18.101 ( 1.343 -0.000 3.080) 3.361 18.289 ( 3.428 -0.721 -1.572) 3.839 18.469 ( -4.346 2.671 -8.608) 10.006 20.149 ( -1.175 -1.343 4.797) 5.119 20.588 ( -0.237 3.218 -1.885) 3.737 20.704 ( -2.757 -1.252 -1.714) 3.480 21.620 ( -1.522 -0.137 -26.207) 26.251 22.151 ( -0.051 -1.376 2.517) 2.869 22.693 ( 6.019 2.546 -12.867) 14.432 23.376 ( -0.690 0.655 15.562) 15.591 23.800 ( 0.101 0.177 0.110) 0.231 23.810 ( 0.209 -0.250 -0.135) 0.352 23.863 ( 4.633 1.626 -1.733) 5.207 24.205 ( 0.519 -1.089 8.621) 8.705 24.259 ( 1.153 -4.372 2.511) 5.172 24.291 ( -0.074 -1.019 7.059) 7.132 24.386 ( 1.890 2.434 4.244) 5.245 24.465 ( 2.949 -1.851 1.535) 3.805 24.697 ( 2.724 -6.425 -2.736) 7.495 25.075 ( -7.415 6.004 11.730) 15.120 25.960 ( -18.780 7.634 -6.505) 21.291 ======================= Grid point 94 (36/63) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 16.984 -7.627 6.016) 19.566 2.363 ( 17.094 -10.497 -1.459) 20.112 2.564 ( -1.212 1.072 -8.884) 9.030 2.710 ( 0.314 -2.918 -3.399) 4.491 2.785 ( -5.242 0.733 2.272) 5.760 2.855 ( -9.186 3.804 2.384) 10.225 3.033 ( -2.981 8.273 -2.170) 9.058 3.083 ( -5.038 -0.291 -0.998) 5.144 3.162 ( -5.366 -0.420 -3.633) 6.494 3.236 ( -8.254 0.495 -1.624) 8.427 3.332 ( 1.094 4.249 2.233) 4.923 3.664 ( -0.535 -3.849 -2.812) 4.797 3.852 ( 12.866 -7.189 8.525) 17.025 3.971 ( -3.133 3.693 2.683) 5.536 4.039 ( -1.913 2.184 1.464) 3.251 4.291 ( 2.282 1.284 1.986) 3.286 4.419 ( 2.123 5.713 9.787) 11.530 4.456 ( -3.308 0.775 3.992) 5.242 4.734 ( -3.083 -6.874 0.555) 7.554 5.012 ( -0.046 6.267 -1.565) 6.460 5.381 ( 5.388 -8.646 -9.443) 13.891 5.585 ( 0.883 4.783 -1.743) 5.166 5.662 ( 1.327 3.957 5.401) 6.826 5.706 ( 7.481 -1.316 0.389) 7.605 5.777 ( -4.292 -2.507 -0.284) 4.979 5.808 ( -1.711 -5.920 -4.143) 7.425 5.973 ( 2.634 1.344 1.823) 3.474 6.008 ( -6.151 0.297 6.241) 8.767 6.339 ( 5.659 -9.285 6.428) 12.632 6.440 ( -2.359 -3.035 1.096) 3.997 6.575 ( -10.264 -2.794 -0.422) 10.646 6.744 ( -0.179 3.249 -6.597) 7.356 6.908 ( -0.172 -4.319 4.562) 6.285 7.079 ( -3.969 3.693 -1.589) 5.649 7.125 ( -8.198 0.165 1.071) 8.270 7.250 ( -1.130 3.428 3.089) 4.751 7.364 ( -3.708 -3.276 -7.302) 8.820 7.622 ( 1.396 -1.983 -6.038) 6.507 7.810 ( 8.713 11.996 -0.303) 14.830 8.010 ( 4.876 3.572 -9.929) 11.624 8.226 ( -12.001 0.121 -1.435) 12.087 8.769 ( 5.444 1.922 0.973) 5.855 8.962 ( 1.857 3.952 13.422) 14.114 9.164 ( 6.705 -7.081 8.376) 12.856 9.328 ( 1.365 -1.640 7.418) 7.718 9.795 ( 9.132 -1.367 -7.596) 11.957 9.863 ( 9.563 -3.127 -7.649) 12.639 10.055 ( -0.015 -6.268 -2.409) 6.715 10.204 ( 7.111 5.875 2.312) 9.509 10.355 ( 4.253 -4.211 -2.484) 6.480 10.632 ( -3.719 -1.132 4.763) 6.148 11.069 ( 7.651 3.911 -11.876) 14.658 11.096 ( 0.917 -5.519 -2.562) 6.153 11.306 ( -7.745 3.280 1.530) 8.549 11.367 ( -1.319 0.760 0.721) 1.684 11.497 ( -2.493 -1.873 2.441) 3.960 11.553 ( 2.941 2.097 5.846) 6.872 11.679 ( -12.256 6.226 -5.433) 14.782 12.216 ( -5.556 0.431 -2.930) 6.296 12.690 ( -0.578 0.813 -25.623) 25.643 12.938 ( 2.244 -1.266 9.696) 10.032 13.040 ( -1.612 -1.237 11.534) 11.711 13.662 ( -7.362 -3.860 -6.737) 10.700 13.806 ( -4.301 13.751 7.171) 16.094 14.753 ( 5.208 -3.475 0.985) 6.338 14.833 ( 4.975 -2.608 -0.853) 5.682 14.960 ( -3.975 -8.963 11.755) 15.307 15.897 ( 6.555 4.786 -8.771) 11.950 17.879 ( -2.382 -3.501 6.093) 7.420 18.092 ( -0.728 1.247 4.273) 4.510 18.313 ( 1.867 2.313 -1.762) 3.456 18.401 ( -2.306 -0.541 -5.273) 5.781 20.081 ( -1.776 6.141 4.944) 8.081 20.600 ( -0.455 -3.526 2.266) 4.215 20.707 ( -1.352 -2.706 -6.616) 7.275 21.607 ( -1.305 0.016 -22.133) 22.171 22.156 ( -1.282 0.314 0.550) 1.430 22.696 ( 4.301 2.808 -14.063) 14.971 23.370 ( -0.036 -0.415 15.285) 15.291 23.800 ( 0.063 -0.040 0.180) 0.194 23.815 ( 0.159 -0.036 -0.181) 0.243 23.854 ( 2.874 3.698 0.544) 4.715 24.208 ( -0.961 0.098 16.116) 16.145 24.310 ( 1.379 -0.910 1.895) 2.515 24.352 ( 1.581 -1.061 3.028) 3.577 24.403 ( 4.422 -1.671 1.658) 5.009 24.524 ( -0.261 -4.239 1.952) 4.674 24.857 ( 0.616 -2.059 -1.247) 2.485 24.919 ( -2.532 -1.811 2.528) 4.011 25.629 ( -12.554 10.589 -6.977) 17.844 ======================= Grid point 95 (37/63) ======================= q-point: ( 0.62 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 1.852 1.780 3.989) 4.744 2.465 ( 2.209 -0.218 0.536) 2.283 2.625 ( 0.596 0.201 -3.967) 4.017 2.672 ( -4.113 -3.122 -1.532) 5.386 2.712 ( -0.171 13.247 -3.639) 13.739 2.853 ( 1.727 -6.499 -2.296) 7.106 2.925 ( 4.422 -4.249 2.358) 6.570 3.080 ( 0.400 -0.319 -2.124) 2.185 3.150 ( -6.631 -4.080 0.071) 7.785 3.191 ( -2.533 -3.030 -4.211) 5.774 3.316 ( -0.838 -2.249 3.756) 4.457 3.628 ( -0.071 7.836 -7.761) 11.029 3.923 ( 1.516 0.469 5.934) 6.142 4.015 ( 0.930 -6.214 6.802) 9.260 4.049 ( -2.337 -4.462 4.807) 6.963 4.211 ( 0.889 10.654 8.144) 13.440 4.276 ( -2.279 5.769 3.632) 7.188 4.644 ( 11.576 -8.865 3.583) 15.014 4.811 ( -2.794 -5.987 -0.354) 6.616 4.923 ( -0.854 3.357 2.031) 4.015 5.412 ( 0.948 8.044 -3.977) 9.023 5.523 ( -0.891 -0.172 -6.856) 6.916 5.602 ( 1.016 3.035 10.680) 11.149 5.691 ( -1.129 3.699 8.830) 9.640 5.808 ( -0.366 -1.430 -8.793) 8.916 5.898 ( -0.065 -3.823 -7.548) 8.461 5.998 ( -2.984 -6.007 3.980) 7.799 6.033 ( 2.575 0.797 3.652) 4.539 6.326 ( -1.076 2.576 1.717) 3.278 6.478 ( -4.320 3.347 -3.704) 6.602 6.695 ( 1.846 -13.029 -1.209) 13.214 6.787 ( 0.206 -8.441 -1.318) 8.546 6.931 ( -2.525 1.815 -2.306) 3.871 7.017 ( -0.962 -2.240 2.577) 3.547 7.088 ( -2.642 -1.639 2.250) 3.838 7.248 ( 4.019 -0.167 0.260) 4.031 7.358 ( -6.291 -2.400 -5.565) 8.735 7.598 ( 2.106 6.980 4.709) 8.679 7.660 ( -0.922 9.142 -1.184) 9.265 7.981 ( 3.753 4.478 -15.833) 16.877 8.212 ( -3.576 -8.591 -2.037) 9.526 8.738 ( 3.299 4.950 -4.508) 7.464 8.904 ( 2.580 5.194 21.230) 22.008 9.286 ( 1.998 -0.099 2.174) 2.954 9.378 ( 0.861 -2.191 10.498) 10.759 9.864 ( 11.090 6.465 -3.754) 13.375 9.873 ( -2.520 -0.213 -8.417) 8.789 10.136 ( 1.169 9.013 1.949) 9.295 10.249 ( 8.031 -1.205 -7.344) 10.949 10.377 ( -4.627 -1.871 -2.880) 5.762 10.583 ( -5.145 -0.868 5.139) 7.324 11.096 ( 5.985 -1.202 -12.875) 14.249 11.209 ( -5.408 -4.801 -1.714) 7.432 11.301 ( 2.402 -2.246 2.230) 3.974 11.329 ( 0.463 -3.327 0.791) 3.451 11.442 ( -3.991 3.235 2.510) 5.718 11.466 ( -5.759 4.728 1.419) 7.585 11.614 ( 0.085 -6.018 0.414) 6.033 12.203 ( -1.942 -2.875 -0.975) 3.604 12.589 ( -2.464 6.144 -19.786) 20.864 13.000 ( 5.330 -1.647 7.342) 9.221 13.107 ( -3.469 -6.945 8.760) 11.705 13.457 ( -1.281 14.253 8.318) 16.552 13.856 ( -0.145 -13.928 -7.751) 15.940 14.823 ( 1.615 0.218 0.499) 1.704 14.877 ( 1.505 1.581 -0.485) 2.236 15.058 ( -3.136 -6.152 8.868) 11.240 15.830 ( 2.988 8.242 -8.048) 11.901 17.940 ( 1.858 -3.502 5.703) 6.945 18.057 ( -2.108 0.548 5.484) 5.901 18.286 ( 2.171 1.649 -1.369) 3.051 18.400 ( -2.525 -0.445 -3.710) 4.510 19.961 ( -0.385 4.710 6.130) 7.740 20.651 ( -0.870 -3.211 6.280) 7.107 20.793 ( 0.053 -6.596 -14.637) 16.054 21.593 ( -0.589 0.548 -18.628) 18.645 22.113 ( -1.821 2.456 0.107) 3.060 22.683 ( 2.302 2.670 -14.938) 15.348 23.383 ( 0.035 -0.781 13.497) 13.519 23.799 ( 0.964 3.848 2.993) 4.969 23.803 ( 0.053 0.131 0.393) 0.417 23.815 ( 0.031 0.265 -0.124) 0.294 24.198 ( -0.635 -0.086 13.849) 13.864 24.309 ( 0.563 1.209 6.804) 6.934 24.381 ( 3.120 2.360 1.471) 4.180 24.455 ( 0.507 -2.304 0.770) 2.481 24.621 ( 3.861 -0.290 3.262) 5.063 24.738 ( -6.139 -0.233 2.149) 6.508 25.155 ( 2.560 -15.498 -5.186) 16.542 25.346 ( -5.781 10.256 -6.770) 13.581 ======================= Grid point 97 (38/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.000 16.750 7.800) 18.477 2.362 ( -0.000 22.807 -2.939) 22.995 2.532 ( -0.000 3.388 -3.081) 4.579 2.607 ( 0.000 -10.369 4.190) 11.184 2.823 ( 0.000 -6.333 -17.875) 18.964 2.978 ( 0.000 -6.989 -2.910) 7.570 3.023 ( -0.000 1.819 5.372) 5.672 3.131 ( 0.000 -6.833 7.015) 9.793 3.186 ( 0.000 -5.571 -1.550) 5.782 3.271 ( 0.000 -5.566 -3.048) 6.346 3.404 ( 0.000 -7.867 0.285) 7.872 3.510 ( -0.000 2.867 -0.814) 2.980 3.861 ( -0.000 15.494 3.943) 15.988 3.990 ( -0.000 3.179 11.504) 11.935 4.097 ( 0.000 -3.036 2.370) 3.852 4.177 ( 0.000 -8.001 9.796) 12.648 4.208 ( -0.000 1.320 -2.058) 2.445 4.773 ( 0.000 -0.951 1.986) 2.202 4.862 ( -0.000 2.403 1.507) 2.836 4.946 ( 0.000 -5.432 -6.974) 8.840 5.347 ( 0.000 -1.193 -3.472) 3.671 5.484 ( -0.000 2.838 -0.489) 2.880 5.537 ( -0.000 4.818 12.346) 13.253 5.619 ( -0.000 3.101 7.513) 8.127 5.807 ( -0.000 2.293 -11.777) 11.998 5.908 ( -0.000 4.864 -4.749) 6.798 5.950 ( -0.000 5.672 0.776) 5.725 6.133 ( 0.000 -10.400 2.091) 10.608 6.314 ( 0.000 -1.821 2.360) 2.981 6.426 ( 0.000 -0.161 -2.289) 2.295 6.868 ( -0.000 2.353 -2.590) 3.499 6.876 ( 0.000 -8.818 1.468) 8.939 6.985 ( 0.000 -8.146 0.429) 8.157 7.036 ( -0.000 2.130 4.799) 5.250 7.086 ( -0.000 0.459 -2.650) 2.690 7.320 ( 0.000 -2.268 -3.087) 3.831 7.326 ( 0.000 -1.068 0.036) 1.069 7.450 ( -0.000 2.788 0.807) 2.903 7.608 ( 0.000 -0.849 3.717) 3.812 7.921 ( -0.000 4.280 -18.913) 19.391 8.378 ( 0.000 -10.116 -6.756) 12.165 8.698 ( -0.000 1.034 -4.252) 4.376 8.829 ( -0.000 5.060 23.869) 24.399 9.240 ( -0.000 5.613 1.168) 5.734 9.390 ( -0.000 1.726 13.895) 14.002 9.786 ( -0.000 8.321 -0.266) 8.325 9.789 ( -0.000 11.934 -4.178) 12.644 9.961 ( -0.000 5.094 -1.661) 5.358 10.270 ( -0.000 2.044 -4.495) 4.938 10.295 ( -0.000 5.647 -8.842) 10.492 10.594 ( -0.000 0.390 2.484) 2.514 11.123 ( -0.000 7.409 -0.532) 7.428 11.246 ( 0.000 -3.080 -14.547) 14.869 11.303 ( -0.000 0.381 6.103) 6.115 11.370 ( 0.000 -5.733 -3.050) 6.493 11.424 ( 0.000 -2.333 3.954) 4.591 11.532 ( 0.000 -9.903 1.305) 9.989 11.729 ( 0.000 -6.325 -6.663) 9.187 12.262 ( 0.000 -4.486 0.753) 4.549 12.497 ( -0.000 1.701 -14.715) 14.813 13.075 ( 0.000 -1.884 14.985) 15.103 13.180 ( 0.000 -0.457 3.824) 3.851 13.299 ( 0.000 -2.686 9.421) 9.797 14.134 ( 0.000 -15.295 -11.189) 18.951 14.771 ( -0.000 6.073 -0.088) 6.074 14.818 ( -0.000 5.500 -0.475) 5.520 15.120 ( 0.000 -3.182 6.917) 7.614 15.671 ( -0.000 10.965 -6.252) 12.622 18.020 ( 0.000 -2.740 4.945) 5.654 18.045 ( 0.000 -1.397 5.926) 6.088 18.301 ( 0.000 -1.496 -0.424) 1.555 18.360 ( -0.000 2.504 -3.082) 3.972 19.937 ( 0.000 -2.619 5.305) 5.916 20.707 ( 0.000 -3.533 6.637) 7.518 20.898 ( 0.000 -4.164 -21.819) 22.212 21.573 ( -0.000 1.403 -15.529) 15.593 22.054 ( -0.000 2.191 1.181) 2.489 22.639 ( -0.000 3.841 -14.585) 15.082 23.392 ( 0.000 -0.023 12.250) 12.250 23.741 ( -0.000 2.436 4.234) 4.885 23.806 ( -0.000 0.022 0.029) 0.036 23.809 ( -0.000 0.242 -0.091) 0.258 24.202 ( 0.000 -0.710 10.094) 10.119 24.295 ( -0.000 0.607 11.459) 11.475 24.337 ( -0.000 3.414 0.492) 3.449 24.495 ( 0.000 -0.513 1.649) 1.727 24.517 ( -0.000 7.516 3.415) 8.255 24.843 ( 0.000 -9.083 4.318) 10.058 25.121 ( -0.000 10.988 -6.195) 12.614 25.508 ( 0.000 -21.234 -6.127) 22.101 ======================= Grid point 102 (39/63) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 25.035 0.000 10.316) 27.077 2.120 ( 24.917 0.000 6.574) 25.769 2.564 ( 4.607 0.000 -2.706) 5.343 2.596 ( 0.707 0.000 -16.375) 16.390 2.781 ( -1.842 -0.000 3.872) 4.288 2.908 ( -15.983 -0.000 1.963) 16.103 3.075 ( -10.084 -0.000 4.084) 10.880 3.145 ( -5.997 -0.000 0.873) 6.060 3.230 ( -3.102 -0.000 -4.784) 5.701 3.349 ( -6.329 -0.000 4.103) 7.543 3.404 ( -9.930 -0.000 2.666) 10.282 3.536 ( -1.894 -0.000 -0.467) 1.950 3.659 ( 20.863 0.000 12.171) 24.154 3.979 ( -4.703 -0.000 7.281) 8.668 4.293 ( -3.407 -0.000 -2.956) 4.511 4.309 ( -0.959 -0.000 -4.169) 4.278 4.426 ( -4.608 -0.000 2.167) 5.092 4.615 ( 0.799 0.000 4.273) 4.347 4.634 ( -0.521 -0.000 -9.979) 9.993 5.053 ( 11.015 0.000 -13.014) 17.049 5.194 ( -4.286 -0.000 -4.081) 5.918 5.405 ( -7.190 -0.000 -4.701) 8.590 5.588 ( 12.755 0.000 -7.185) 14.640 5.789 ( 2.174 0.000 0.973) 2.381 5.829 ( 2.803 0.000 16.513) 16.749 5.835 ( 1.054 0.000 -1.942) 2.210 5.945 ( 3.053 0.000 1.302) 3.319 6.027 ( -10.685 -0.000 9.961) 14.608 6.047 ( -2.239 -0.000 6.948) 7.300 6.462 ( -11.530 -0.000 -3.898) 12.171 6.491 ( -3.587 -0.000 4.784) 5.980 6.821 ( 2.259 0.000 6.783) 7.149 6.894 ( 2.764 0.000 -0.721) 2.856 7.126 ( -5.553 -0.000 0.690) 5.596 7.163 ( -6.310 -0.000 -4.515) 7.759 7.386 ( 2.005 0.000 -12.473) 12.634 7.422 ( -5.204 -0.000 2.190) 5.646 7.664 ( -0.790 -0.000 -15.088) 15.108 7.779 ( 2.506 0.000 -0.055) 2.507 8.166 ( 11.226 0.000 -18.903) 21.985 8.201 ( -13.573 -0.000 4.000) 14.150 8.629 ( 3.793 0.000 18.648) 19.030 8.977 ( -7.520 -0.000 -2.044) 7.793 9.116 ( 6.992 0.000 12.049) 13.931 9.413 ( 9.515 0.000 11.717) 15.094 9.573 ( 14.516 0.000 -5.425) 15.497 9.859 ( 4.156 0.000 -3.762) 5.606 10.002 ( -5.574 -0.000 -5.689) 7.965 10.013 ( 5.521 0.000 11.395) 12.662 10.368 ( 9.855 0.000 4.971) 11.037 10.708 ( 7.710 0.000 1.363) 7.829 11.101 ( 4.497 0.000 -3.211) 5.525 11.171 ( -0.347 -0.000 -10.181) 10.187 11.274 ( -0.928 -0.000 1.877) 2.094 11.443 ( -9.313 -0.000 0.062) 9.313 11.544 ( -3.879 -0.000 -1.289) 4.088 11.572 ( 19.421 0.000 -0.305) 19.424 11.772 ( -14.684 -0.000 -14.670) 20.756 12.260 ( -9.322 -0.000 -0.785) 9.355 12.637 ( 2.197 0.000 -23.586) 23.688 12.866 ( -2.654 -0.000 13.702) 13.956 13.105 ( -1.446 -0.000 9.834) 9.940 13.560 ( -12.777 -0.000 -7.440) 14.785 14.274 ( -8.002 -0.000 -12.498) 14.840 14.652 ( 0.664 0.000 29.671) 29.678 14.669 ( 6.538 0.000 1.329) 6.671 14.768 ( 5.978 0.000 2.087) 6.332 15.974 ( 6.880 0.000 -9.634) 11.839 17.775 ( -5.788 -0.000 6.688) 8.845 18.122 ( 1.941 0.000 3.515) 4.015 18.313 ( 2.033 0.000 -3.340) 3.910 18.446 ( -3.978 -0.000 -6.840) 7.912 20.139 ( 1.347 0.000 5.604) 5.764 20.592 ( -4.598 -0.000 5.313) 7.026 20.693 ( 1.422 0.000 -9.313) 9.421 21.600 ( -1.714 -0.000 -26.369) 26.424 22.144 ( 0.709 0.000 4.981) 5.031 22.764 ( 3.435 0.000 -12.971) 13.418 23.376 ( -0.512 -0.000 16.181) 16.189 23.806 ( 0.109 0.000 0.021) 0.111 23.807 ( 0.105 0.000 -0.027) 0.108 23.928 ( 4.449 0.000 -2.799) 5.256 24.208 ( 0.081 0.000 12.397) 12.398 24.213 ( 1.363 0.000 0.560) 1.474 24.269 ( -1.166 -0.000 6.736) 6.836 24.423 ( 0.731 0.000 3.841) 3.910 24.488 ( 2.993 0.000 1.465) 3.333 24.666 ( 3.142 0.000 -2.225) 3.850 25.070 ( -4.463 -0.000 6.679) 8.033 25.838 ( -16.649 -0.000 -6.839) 17.999 ======================= Grid point 103 (40/63) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 20.791 0.865 5.731) 21.583 2.389 ( 14.029 -4.731 6.991) 16.372 2.578 ( -0.514 1.129 -9.627) 9.707 2.659 ( 1.833 -4.197 -2.510) 5.223 2.696 ( -12.116 0.584 7.426) 14.222 2.785 ( -7.155 -2.198 -1.636) 7.662 2.993 ( -6.564 -0.675 1.272) 6.720 3.085 ( -0.999 1.854 0.540) 2.174 3.158 ( -6.063 1.817 -1.561) 6.519 3.213 ( -3.278 5.476 -1.336) 6.520 3.403 ( -2.728 -0.642 -0.899) 2.944 3.530 ( -1.060 -4.235 2.227) 4.901 3.924 ( 16.656 -1.613 7.987) 18.543 3.953 ( -1.478 -0.570 4.831) 5.084 4.177 ( -0.324 7.401 -5.275) 9.094 4.268 ( -0.264 0.084 -0.098) 0.294 4.407 ( -6.252 -3.107 3.589) 7.850 4.575 ( 0.253 6.164 2.127) 6.525 4.608 ( -1.450 -0.883 4.286) 4.610 5.110 ( -1.495 5.154 -2.385) 5.872 5.258 ( 5.524 -10.327 -15.765) 19.639 5.451 ( -5.524 -10.416 -5.796) 13.138 5.717 ( 7.514 -1.750 -8.458) 11.448 5.753 ( 1.007 4.482 7.781) 9.036 5.807 ( 1.013 3.345 5.211) 6.274 5.812 ( -0.562 2.479 1.674) 3.044 5.951 ( -0.664 -3.080 8.418) 8.988 5.973 ( -6.193 0.206 6.522) 8.996 6.166 ( 3.504 -10.671 4.656) 12.158 6.410 ( -6.293 -4.329 -1.821) 7.852 6.448 ( -1.326 1.940 3.919) 4.569 6.846 ( 1.926 2.511 -2.412) 3.979 6.898 ( 4.941 2.488 -2.622) 6.122 7.048 ( -6.467 0.868 2.252) 6.903 7.097 ( -4.807 2.292 -4.928) 7.256 7.289 ( -2.050 2.197 -1.181) 3.229 7.397 ( 1.032 11.395 -3.404) 11.937 7.546 ( -0.126 -7.103 -7.647) 10.438 8.014 ( 2.302 -6.073 -11.351) 13.078 8.050 ( -3.430 2.661 5.274) 6.831 8.192 ( 0.884 6.880 -12.168) 14.006 8.755 ( 5.983 -7.931 14.250) 17.371 8.915 ( -7.343 -2.192 -0.531) 7.682 9.188 ( 5.359 -1.824 12.565) 13.782 9.396 ( 3.357 7.681 11.829) 14.497 9.775 ( 8.199 -8.450 -5.355) 12.934 9.885 ( 3.189 -0.713 -6.853) 7.592 9.951 ( -5.446 -0.665 -5.493) 7.763 10.225 ( 3.436 -14.202 9.977) 17.693 10.423 ( 9.112 5.500 6.557) 12.500 10.700 ( 2.715 7.019 0.464) 7.540 11.104 ( 1.223 2.899 -4.835) 5.768 11.151 ( 0.290 1.157 -8.149) 8.235 11.282 ( -5.323 1.049 2.395) 5.930 11.333 ( -1.961 -0.108 2.224) 2.967 11.493 ( -1.485 1.973 -0.065) 2.470 11.631 ( -7.613 1.841 -10.137) 12.810 11.687 ( 6.598 4.496 -1.080) 8.057 12.173 ( -4.685 0.813 -1.467) 4.976 12.677 ( 0.872 -1.585 -26.663) 26.724 12.892 ( -0.027 -4.809 7.521) 8.927 13.056 ( -1.113 3.459 12.952) 13.452 13.493 ( -5.961 -4.197 -7.278) 10.301 14.048 ( -3.575 14.726 -1.326) 15.212 14.746 ( 3.525 -2.436 1.471) 4.530 14.765 ( -0.519 -9.087 20.427) 22.363 14.839 ( 3.086 -2.142 1.521) 4.053 16.009 ( 3.430 2.104 -9.743) 10.541 17.766 ( -3.072 -4.175 7.037) 8.740 18.126 ( 0.795 1.460 3.793) 4.142 18.336 ( 0.699 -1.278 -4.532) 4.760 18.395 ( -1.692 2.275 -4.055) 4.948 20.140 ( -0.068 1.784 5.021) 5.328 20.563 ( -1.229 -0.907 5.202) 5.422 20.685 ( 0.058 1.267 -8.351) 8.447 21.589 ( -1.019 -0.359 -24.578) 24.602 22.153 ( 0.158 -0.173 3.950) 3.957 22.771 ( 1.781 1.927 -13.643) 13.893 23.369 ( -0.086 0.263 16.405) 16.408 23.802 ( 0.038 0.206 0.141) 0.252 23.813 ( 0.073 -0.283 -0.129) 0.319 23.941 ( 2.331 2.583 -1.813) 3.923 24.204 ( -0.306 0.147 17.768) 17.772 24.264 ( 0.045 -3.658 1.304) 3.884 24.309 ( 0.887 -4.612 -0.895) 4.781 24.421 ( 1.186 0.119 5.071) 5.210 24.500 ( 0.612 1.059 1.473) 1.915 24.753 ( 2.081 -6.227 -2.992) 7.216 24.984 ( -1.985 5.700 3.660) 7.058 25.653 ( -9.065 5.159 -7.083) 12.608 ======================= Grid point 104 (41/63) ======================= q-point: ( 0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -0.000 2.083 3.816) 4.347 2.482 ( 0.000 -5.652 0.817) 5.711 2.530 ( -0.000 2.954 -3.309) 4.436 2.717 ( -0.000 1.394 -1.469) 2.025 2.761 ( 0.000 -7.288 9.698) 12.131 2.766 ( 0.000 -3.137 -1.595) 3.520 2.992 ( 0.000 -3.884 -2.913) 4.855 3.022 ( -0.000 9.240 -1.445) 9.352 3.105 ( -0.000 1.428 -6.407) 6.565 3.115 ( 0.000 -2.309 -0.093) 2.311 3.344 ( -0.000 4.071 0.174) 4.075 3.655 ( 0.000 -6.797 -2.156) 7.130 3.931 ( -0.000 2.315 2.834) 3.660 3.979 ( 0.000 -0.189 4.560) 4.564 4.031 ( -0.000 5.291 0.287) 5.299 4.345 ( -0.000 4.106 4.522) 6.109 4.407 ( -0.000 7.526 7.663) 10.741 4.511 ( 0.000 -12.821 4.563) 13.609 4.656 ( 0.000 -5.289 3.597) 6.396 5.001 ( -0.000 5.568 1.693) 5.820 5.454 ( 0.000 -6.936 -13.126) 14.846 5.553 ( -0.000 0.240 0.410) 0.475 5.693 ( -0.000 7.642 -0.343) 7.649 5.721 ( 0.000 -3.341 -2.478) 4.160 5.757 ( -0.000 3.570 8.514) 9.232 5.829 ( 0.000 -4.537 -9.353) 10.396 5.922 ( 0.000 -0.248 5.927) 5.932 6.031 ( 0.000 -3.613 7.142) 8.004 6.373 ( 0.000 -0.808 1.811) 1.983 6.415 ( 0.000 -5.747 3.633) 6.799 6.484 ( 0.000 -8.900 -2.584) 9.267 6.749 ( -0.000 4.617 -7.778) 9.045 6.953 ( 0.000 -2.824 0.166) 2.829 6.981 ( -0.000 3.865 -0.296) 3.876 7.027 ( 0.000 -1.503 2.655) 3.051 7.288 ( 0.000 -1.040 -5.329) 5.430 7.290 ( -0.000 1.773 0.669) 1.894 7.633 ( 0.000 -1.121 -4.520) 4.657 7.953 ( -0.000 16.504 -3.421) 16.855 8.045 ( 0.000 -5.242 4.766) 7.085 8.068 ( -0.000 2.341 -14.232) 14.424 8.833 ( -0.000 3.268 -9.416) 9.967 8.960 ( 0.000 -2.825 24.551) 24.713 9.298 ( 0.000 -5.749 10.356) 11.844 9.301 ( -0.000 1.960 5.248) 5.602 9.869 ( -0.000 1.269 -8.956) 9.045 9.948 ( 0.000 -1.609 -8.846) 8.991 10.064 ( 0.000 -15.610 -2.516) 15.811 10.340 ( -0.000 9.455 7.208) 11.889 10.479 ( 0.000 -9.147 6.107) 10.998 10.520 ( -0.000 12.390 -0.054) 12.390 11.061 ( 0.000 -0.387 -11.351) 11.357 11.180 ( -0.000 2.557 1.386) 2.909 11.189 ( 0.000 -4.843 -0.188) 4.847 11.355 ( -0.000 1.313 -2.384) 2.721 11.477 ( 0.000 -1.750 1.980) 2.643 11.534 ( -0.000 4.996 -3.220) 5.944 11.598 ( -0.000 6.542 2.173) 6.893 12.152 ( 0.000 -1.179 -2.132) 2.436 12.672 ( -0.000 3.150 -27.019) 27.202 12.990 ( 0.000 -4.278 5.706) 7.132 13.006 ( 0.000 -0.288 13.959) 13.962 13.607 ( 0.000 -11.554 -8.023) 14.066 13.739 ( -0.000 17.066 6.090) 18.120 14.811 ( 0.000 -2.439 1.044) 2.653 14.888 ( 0.000 -1.424 -0.616) 1.552 14.918 ( 0.000 -7.985 14.925) 16.926 15.964 ( -0.000 5.028 -9.274) 10.549 17.848 ( 0.000 -6.097 6.715) 9.070 18.088 ( -0.000 2.808 4.327) 5.158 18.336 ( -0.000 2.863 -1.674) 3.316 18.371 ( 0.000 -1.601 -5.243) 5.482 20.064 ( -0.000 6.069 5.576) 8.242 20.593 ( 0.000 -2.622 5.982) 6.532 20.695 ( 0.000 -3.371 -9.850) 10.411 21.590 ( 0.000 -0.251 -22.198) 22.199 22.144 ( -0.000 1.417 1.832) 2.316 22.740 ( -0.000 2.499 -14.795) 15.005 23.371 ( 0.000 -0.497 15.429) 15.437 23.801 ( 0.000 -0.045 0.192) 0.198 23.817 ( 0.000 -0.035 -0.182) 0.186 23.887 ( -0.000 4.510 0.775) 4.576 24.197 ( -0.000 0.271 16.870) 16.873 24.327 ( 0.000 -0.809 1.394) 1.612 24.373 ( 0.000 -3.830 1.779) 4.223 24.460 ( -0.000 2.997 1.176) 3.219 24.513 ( 0.000 -8.569 2.917) 9.052 24.837 ( -0.000 9.116 3.038) 9.609 24.921 ( 0.000 -11.436 -4.059) 12.135 25.485 ( -0.000 8.456 -7.112) 11.049 ======================= Grid point 114 (42/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.000 -0.000 -0.599) 0.599 2.450 ( -0.000 -0.000 20.632) 20.632 2.541 ( 0.000 0.000 9.068) 9.068 2.588 ( 0.000 0.000 -7.846) 7.846 2.650 ( 0.000 0.000 -8.444) 8.444 2.713 ( 0.000 0.000 -2.638) 2.638 2.947 ( 0.000 0.000 2.191) 2.191 3.098 ( 0.000 0.000 7.035) 7.035 3.169 ( 0.000 0.000 -4.865) 4.865 3.254 ( 0.000 0.000 -3.292) 3.292 3.295 ( 0.000 0.000 3.524) 3.524 3.527 ( 0.000 0.000 -0.671) 0.671 3.930 ( 0.000 0.000 5.847) 5.847 4.124 ( -0.000 -0.000 0.335) 0.335 4.127 ( 0.000 0.000 11.834) 11.834 4.260 ( 0.000 0.000 -1.131) 1.131 4.350 ( 0.000 0.000 -3.884) 3.884 4.627 ( 0.000 0.000 7.803) 7.803 4.630 ( 0.000 0.000 -10.601) 10.601 5.152 ( 0.000 0.000 -2.626) 2.626 5.184 ( 0.000 0.000 -20.343) 20.343 5.302 ( 0.000 0.000 -1.962) 1.962 5.739 ( 0.000 0.000 -11.567) 11.567 5.824 ( 0.000 0.000 8.138) 8.138 5.846 ( 0.000 0.000 -5.655) 5.655 5.867 ( 0.000 0.000 18.229) 18.229 5.896 ( 0.000 0.000 6.771) 6.771 5.904 ( 0.000 0.000 10.819) 10.819 6.085 ( 0.000 0.000 3.726) 3.726 6.332 ( 0.000 0.000 -2.554) 2.554 6.456 ( 0.000 0.000 6.011) 6.011 6.868 ( 0.000 0.000 -2.698) 2.698 6.991 ( 0.000 0.000 -10.300) 10.300 7.005 ( -0.000 -0.000 7.967) 7.967 7.083 ( 0.000 0.000 -7.296) 7.296 7.355 ( 0.000 0.000 5.248) 5.248 7.412 ( 0.000 0.000 -11.945) 11.945 7.656 ( 0.000 0.000 -16.917) 16.917 7.816 ( 0.000 0.000 1.199) 1.199 8.041 ( 0.000 0.000 7.748) 7.748 8.299 ( 0.000 0.000 -19.235) 19.235 8.710 ( 0.000 0.000 24.832) 24.832 8.841 ( 0.000 0.000 -9.613) 9.613 9.195 ( 0.000 0.000 10.597) 10.597 9.525 ( 0.000 0.000 16.151) 16.151 9.731 ( 0.000 0.000 -2.558) 2.558 9.912 ( -0.000 -0.000 -10.157) 10.157 9.914 ( 0.000 0.000 -2.514) 2.514 10.069 ( 0.000 0.000 11.459) 11.459 10.531 ( 0.000 0.000 7.438) 7.438 10.786 ( 0.000 0.000 -0.965) 0.965 11.151 ( 0.000 0.000 -2.807) 2.807 11.152 ( 0.000 0.000 -8.882) 8.882 11.254 ( 0.000 0.000 6.811) 6.811 11.339 ( 0.000 0.000 0.807) 0.807 11.500 ( 0.000 0.000 -0.426) 0.426 11.594 ( 0.000 0.000 -14.611) 14.611 11.786 ( 0.000 0.000 -3.522) 3.522 12.155 ( 0.000 0.000 -0.729) 0.729 12.668 ( 0.000 0.000 -25.620) 25.620 12.831 ( 0.000 0.000 6.269) 6.269 13.088 ( 0.000 0.000 12.419) 12.419 13.424 ( 0.000 0.000 -7.351) 7.351 14.182 ( 0.000 0.000 -11.332) 11.332 14.659 ( 0.000 0.000 32.488) 32.488 14.743 ( 0.000 0.000 1.442) 1.442 14.836 ( 0.000 0.000 0.691) 0.691 16.045 ( 0.000 0.000 -10.040) 10.040 17.708 ( 0.000 0.000 7.351) 7.351 18.144 ( 0.000 0.000 3.910) 3.910 18.321 ( 0.000 0.000 -6.545) 6.545 18.413 ( 0.000 0.000 -2.479) 2.479 20.155 ( 0.000 0.000 5.040) 5.040 20.542 ( 0.000 0.000 5.686) 5.686 20.709 ( 0.000 0.000 -9.341) 9.341 21.580 ( 0.000 0.000 -25.066) 25.066 22.152 ( 0.000 0.000 5.486) 5.486 22.798 ( 0.000 0.000 -13.089) 13.089 23.372 ( 0.000 0.000 16.667) 16.667 23.807 ( 0.000 0.000 0.032) 0.032 23.808 ( 0.000 0.000 -0.018) 0.018 23.978 ( 0.000 0.000 -2.908) 2.908 24.205 ( 0.000 0.000 19.599) 19.599 24.229 ( 0.000 0.000 0.433) 0.433 24.260 ( 0.000 0.000 -0.705) 0.705 24.431 ( 0.000 0.000 4.080) 4.080 24.518 ( 0.000 0.000 1.602) 1.602 24.708 ( 0.000 0.000 -2.630) 2.630 25.028 ( 0.000 0.000 2.665) 2.665 25.648 ( 0.000 0.000 -7.088) 7.088 ======================= Grid point 146 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 0.000 32.356) 32.356 1.479 ( 0.000 0.000 33.055) 33.055 2.003 ( 0.000 0.000 -23.723) 23.723 2.044 ( 0.000 0.000 -23.787) 23.787 2.642 ( 0.000 0.000 63.248) 63.248 3.304 ( 0.000 0.000 0.578) 0.578 3.312 ( 0.000 0.000 -0.086) 0.086 3.373 ( 0.000 0.000 1.923) 1.923 3.384 ( 0.000 0.000 0.716) 0.716 3.742 ( 0.000 0.000 -1.208) 1.208 3.746 ( 0.000 0.000 -1.616) 1.616 3.814 ( 0.000 0.000 -55.208) 55.208 3.896 ( 0.000 0.000 3.551) 3.551 3.977 ( 0.000 0.000 -4.605) 4.605 4.272 ( 0.000 0.000 1.810) 1.810 4.307 ( 0.000 0.000 1.113) 1.113 4.393 ( 0.000 0.000 2.224) 2.224 4.464 ( 0.000 0.000 -2.501) 2.501 4.713 ( 0.000 0.000 -0.205) 0.205 4.783 ( 0.000 0.000 -7.027) 7.027 4.849 ( 0.000 0.000 12.427) 12.427 5.095 ( 0.000 0.000 -10.675) 10.675 5.258 ( 0.000 0.000 13.034) 13.034 5.443 ( 0.000 0.000 -3.064) 3.064 5.552 ( 0.000 0.000 0.624) 0.624 5.665 ( 0.000 0.000 -12.425) 12.425 5.907 ( 0.000 0.000 11.320) 11.320 6.215 ( 0.000 0.000 -19.479) 19.479 6.254 ( 0.000 0.000 14.429) 14.429 6.544 ( 0.000 0.000 -14.503) 14.503 7.044 ( 0.000 0.000 9.183) 9.183 7.068 ( 0.000 0.000 6.013) 6.013 7.416 ( 0.000 0.000 5.833) 5.833 7.474 ( 0.000 0.000 1.062) 1.062 7.506 ( 0.000 0.000 -1.207) 1.207 7.545 ( 0.000 0.000 -6.406) 6.406 7.635 ( 0.000 0.000 5.957) 5.957 7.725 ( 0.000 0.000 -3.014) 3.014 8.353 ( 0.000 0.000 7.916) 7.916 8.449 ( 0.000 0.000 -1.590) 1.590 8.715 ( 0.000 0.000 2.008) 2.008 8.793 ( 0.000 0.000 -7.865) 7.865 8.912 ( 0.000 0.000 11.582) 11.582 9.105 ( 0.000 0.000 15.186) 15.186 9.170 ( 0.000 0.000 -13.120) 13.120 9.314 ( 0.000 0.000 -7.804) 7.804 9.456 ( 0.000 0.000 6.328) 6.328 9.522 ( 0.000 0.000 -0.107) 0.107 9.692 ( 0.000 0.000 10.139) 10.139 9.789 ( 0.000 0.000 20.860) 20.860 10.002 ( 0.000 0.000 -17.470) 17.470 10.209 ( 0.000 0.000 -13.821) 13.821 10.691 ( 0.000 0.000 15.691) 15.691 10.718 ( 0.000 0.000 -11.476) 11.476 10.733 ( 0.000 0.000 -6.429) 6.429 11.022 ( 0.000 0.000 -18.493) 18.493 11.985 ( 0.000 0.000 -0.653) 0.653 11.992 ( 0.000 0.000 -1.046) 1.046 12.801 ( 0.000 0.000 0.388) 0.388 12.807 ( 0.000 0.000 -0.057) 0.057 13.653 ( 0.000 0.000 33.060) 33.060 13.786 ( 0.000 0.000 30.714) 30.714 14.252 ( 0.000 0.000 -26.778) 26.778 14.342 ( 0.000 0.000 -24.983) 24.983 14.362 ( 0.000 0.000 1.136) 1.136 14.389 ( 0.000 0.000 -1.369) 1.369 15.085 ( 0.000 0.000 1.603) 1.603 15.115 ( 0.000 0.000 -1.365) 1.365 18.062 ( 0.000 0.000 2.164) 2.164 18.072 ( 0.000 0.000 2.150) 2.150 18.103 ( 0.000 0.000 -1.931) 1.931 18.110 ( 0.000 0.000 -1.583) 1.583 20.285 ( 0.000 0.000 11.855) 11.855 20.510 ( 0.000 0.000 -10.201) 10.201 21.059 ( 0.000 0.000 9.979) 9.979 21.265 ( 0.000 0.000 -10.254) 10.254 22.135 ( 0.000 0.000 1.494) 1.494 22.195 ( 0.000 0.000 -4.555) 4.555 23.589 ( 0.000 0.000 5.061) 5.061 23.671 ( 0.000 0.000 -3.201) 3.201 23.795 ( 0.000 0.000 -0.027) 0.027 23.795 ( 0.000 0.000 -0.085) 0.085 24.161 ( 0.000 0.000 1.223) 1.223 24.182 ( 0.000 0.000 -0.895) 0.895 24.211 ( 0.000 0.000 0.587) 0.587 24.226 ( 0.000 0.000 -0.922) 0.922 24.461 ( 0.000 0.000 3.643) 3.643 24.524 ( 0.000 0.000 -2.665) 2.665 26.669 ( 0.000 0.000 2.576) 2.576 26.722 ( 0.000 0.000 -2.665) 2.665 ======================= Grid point 147 (44/63) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.000 -4.843 31.995) 32.421 1.545 ( 3.722 -7.499 29.260) 30.434 2.053 ( 1.657 -4.410 -22.449) 22.938 2.092 ( 2.646 -3.503 -25.180) 25.560 2.855 ( 8.481 -15.851 50.030) 53.162 3.289 ( -1.941 1.535 -0.603) 2.547 3.301 ( -2.630 -0.376 0.806) 2.776 3.349 ( 0.474 2.731 1.970) 3.400 3.372 ( 1.144 2.506 0.297) 2.770 3.542 ( -6.096 10.942 -1.157) 12.579 3.606 ( -1.945 12.596 -2.764) 13.041 3.800 ( 0.002 1.959 -31.121) 31.183 3.987 ( 0.123 -4.149 -3.911) 5.703 4.016 ( -2.621 -3.020 -3.752) 5.484 4.184 ( -2.300 8.638 0.559) 8.956 4.228 ( -0.765 6.733 -3.289) 7.532 4.422 ( 1.491 -2.759 3.035) 4.364 4.517 ( 0.012 -4.201 -6.715) 7.921 4.717 ( -3.544 -3.814 -0.257) 5.212 4.760 ( -4.054 -2.337 -4.503) 6.494 4.979 ( 4.385 -10.610 10.343) 15.453 5.195 ( 3.083 -5.724 -9.506) 11.516 5.352 ( 7.676 -5.183 11.203) 14.536 5.496 ( 5.370 -2.689 0.778) 6.056 5.611 ( 4.364 -2.801 -2.563) 5.785 5.679 ( -0.174 -2.307 -10.925) 11.167 5.950 ( 1.088 -3.137 10.541) 11.051 6.131 ( 1.522 4.715 0.817) 5.022 6.369 ( 0.461 -6.875 -6.510) 9.479 6.510 ( -0.435 2.389 -12.881) 13.108 6.997 ( -1.149 3.802 8.546) 9.424 7.052 ( -1.482 1.661 3.235) 3.927 7.332 ( -8.970 6.700 5.265) 12.372 7.411 ( -6.025 5.760 -1.491) 8.467 7.466 ( 1.909 2.348 3.070) 4.310 7.525 ( -2.615 0.512 -0.165) 2.670 7.621 ( 3.369 2.655 3.573) 5.582 7.708 ( 0.401 1.553 -4.073) 4.378 8.058 ( -16.238 31.938 6.552) 36.423 8.100 ( -14.517 31.310 1.273) 34.535 8.601 ( 1.100 -4.455 2.182) 5.081 8.641 ( -0.579 -4.615 -0.303) 4.661 8.748 ( 5.209 -4.129 0.485) 6.664 8.780 ( 0.877 2.982 -4.430) 5.412 9.245 ( -6.655 -2.907 17.090) 18.569 9.389 ( -8.191 -5.786 0.781) 10.059 9.587 ( -1.171 -4.626 14.763) 15.516 9.707 ( 12.382 0.354 1.765) 12.512 9.922 ( 19.662 -0.648 -5.713) 20.485 10.001 ( -2.863 -2.587 -15.967) 16.426 10.330 ( 8.076 -11.541 3.478) 14.509 10.529 ( 13.702 -20.380 -15.737) 29.167 10.766 ( 4.116 -7.848 12.807) 15.574 10.844 ( 6.190 -19.626 -4.812) 21.135 10.941 ( 3.531 -21.544 -10.444) 24.201 11.084 ( 5.007 -5.300 -17.672) 19.117 11.902 ( -3.397 6.758 -0.121) 7.565 11.922 ( -3.596 5.599 -2.130) 6.988 12.691 ( -4.263 8.501 0.765) 9.541 12.706 ( -4.581 8.265 -0.649) 9.472 13.585 ( -2.235 6.092 28.674) 29.399 13.722 ( -7.516 3.227 27.346) 28.543 14.093 ( 0.093 13.994 -18.767) 23.410 14.244 ( -11.478 2.764 -21.874) 24.857 14.412 ( 2.389 -3.985 1.117) 4.779 14.438 ( 2.415 -3.984 -1.361) 4.853 15.147 ( 0.384 -5.421 2.107) 5.829 15.191 ( 8.254 -2.311 -2.605) 8.959 18.084 ( -0.475 -1.391 2.804) 3.166 18.104 ( -0.825 -1.895 0.779) 2.209 18.156 ( 1.691 -4.159 -0.873) 4.574 18.195 ( 4.495 -6.370 -5.633) 9.618 20.301 ( -0.351 -1.762 5.321) 5.616 20.436 ( -0.865 6.834 -6.968) 9.798 21.032 ( -2.729 1.006 10.457) 10.854 21.258 ( -1.570 -0.402 -11.980) 12.089 22.144 ( 2.045 0.503 1.593) 2.641 22.215 ( 3.451 -0.207 -5.597) 6.578 23.585 ( 0.305 0.243 6.477) 6.489 23.684 ( 0.879 -0.664 -3.538) 3.706 23.796 ( 0.118 -0.073 0.047) 0.146 23.798 ( 0.135 -0.163 -0.140) 0.254 24.207 ( -0.669 -3.011 0.883) 3.208 24.220 ( -0.818 -2.680 -0.453) 2.839 24.257 ( 4.084 -3.643 1.168) 5.596 24.281 ( 3.981 -4.951 -1.080) 6.445 24.467 ( 0.532 -0.903 5.390) 5.491 24.564 ( 0.514 -3.906 -4.264) 5.806 26.317 ( -14.042 25.124 14.945) 32.430 26.515 ( -9.026 16.338 -6.730) 19.842 ======================= Grid point 148 (45/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.065 -14.822 20.144) 25.988 1.783 ( 5.246 -13.324 20.716) 25.183 2.185 ( 2.800 -7.718 -18.763) 20.481 2.224 ( 5.017 -7.010 -23.500) 25.032 3.137 ( -2.767 5.669 6.525) 9.076 3.175 ( -4.900 8.299 -0.074) 9.638 3.232 ( -3.258 7.139 2.899) 8.366 3.264 ( 0.575 -5.113 5.926) 7.848 3.330 ( -2.517 4.865 4.423) 7.040 3.368 ( 0.455 -0.581 3.984) 4.052 3.426 ( 0.186 2.790 3.861) 4.767 3.699 ( -5.642 6.925 -8.760) 12.511 3.882 ( -5.444 6.732 5.658) 10.342 4.060 ( -0.270 -3.682 -5.316) 6.472 4.088 ( 1.079 1.212 -1.961) 2.546 4.158 ( 1.799 1.208 -6.170) 6.539 4.474 ( 1.242 -1.063 4.661) 4.940 4.577 ( -0.812 -2.923 -7.857) 8.422 4.767 ( 0.058 -2.727 -0.136) 2.731 4.816 ( 1.733 -3.607 -5.177) 6.544 5.193 ( 0.849 -7.457 4.421) 8.710 5.316 ( 1.996 -5.197 -7.591) 9.414 5.536 ( 6.935 -4.619 8.089) 11.613 5.597 ( 1.732 -3.926 9.215) 10.165 5.689 ( 4.424 -1.614 -5.389) 7.156 5.785 ( 2.924 -6.194 -8.290) 10.753 5.965 ( 3.905 3.461 12.647) 13.681 6.149 ( 2.449 -3.585 -1.838) 4.715 6.456 ( -1.275 -2.896 -4.729) 5.690 6.503 ( -0.443 -1.572 -8.248) 8.408 6.882 ( -6.393 5.323 6.325) 10.450 6.972 ( -3.879 4.191 -1.464) 5.895 7.090 ( -2.999 6.256 2.384) 7.336 7.141 ( -5.635 13.053 -0.617) 14.231 7.402 ( -2.270 7.464 7.501) 10.823 7.454 ( -1.348 3.048 3.422) 4.777 7.564 ( -6.197 6.583 -1.480) 9.161 7.580 ( -2.378 11.168 4.804) 12.388 7.661 ( 0.918 2.869 -3.277) 4.451 7.743 ( 5.714 3.064 -6.006) 8.838 8.551 ( -1.780 4.441 0.012) 4.784 8.591 ( -7.725 2.640 -3.027) 8.707 8.949 ( 2.716 -5.555 7.017) 9.352 8.992 ( 8.608 -12.239 1.543) 15.042 9.299 ( 0.210 -9.158 7.421) 11.789 9.438 ( -2.900 -6.834 -2.367) 7.792 9.623 ( -2.738 -2.828 16.743) 17.199 9.822 ( 9.003 -0.507 -2.785) 9.438 9.977 ( 4.980 2.890 -13.469) 14.649 10.021 ( -1.720 -2.234 -13.710) 13.997 10.572 ( 7.345 -5.764 6.193) 11.204 10.707 ( -0.506 -4.348 -5.170) 6.775 11.014 ( 7.478 -10.894 6.769) 14.846 11.204 ( 6.429 -6.584 -10.319) 13.826 11.313 ( 7.649 -18.925 5.263) 21.080 11.516 ( 7.966 -16.241 -11.761) 21.577 11.715 ( -3.789 7.778 -1.094) 8.721 11.751 ( -4.478 7.318 -5.354) 10.113 12.463 ( -5.472 10.129 0.004) 11.513 12.482 ( -4.815 8.737 -2.272) 10.231 13.404 ( -5.961 9.145 18.148) 21.178 13.515 ( -10.772 8.184 13.508) 19.117 13.871 ( 2.351 11.427 -1.699) 11.789 14.062 ( -11.937 3.085 -15.291) 19.642 14.544 ( 3.911 -6.796 1.258) 7.941 14.571 ( 4.070 -6.709 -1.422) 7.975 15.248 ( -0.063 -5.192 3.110) 6.052 15.320 ( 8.632 -1.578 -4.246) 9.748 18.085 ( -2.871 -0.079 4.520) 5.355 18.130 ( 0.831 -0.955 0.948) 1.582 18.262 ( 1.708 -4.960 -0.709) 5.294 18.303 ( 1.250 -1.871 -5.504) 5.946 20.261 ( -1.643 6.765 2.424) 7.371 20.367 ( 0.855 -1.700 -9.484) 9.673 20.983 ( -2.874 1.018 12.019) 12.400 21.255 ( -1.062 -0.884 -15.176) 15.239 22.155 ( 2.885 1.156 2.442) 3.953 22.262 ( 2.711 -1.111 -8.025) 8.543 23.593 ( 0.677 -0.469 8.166) 8.208 23.708 ( 1.421 -0.599 -3.521) 3.844 23.799 ( 0.122 -0.157 0.135) 0.241 23.803 ( 0.160 -0.183 -0.198) 0.313 24.247 ( 0.673 -1.848 0.747) 2.104 24.260 ( 1.007 -1.777 -0.573) 2.121 24.382 ( 2.359 -4.781 3.114) 6.174 24.410 ( 1.492 -4.849 1.034) 5.178 24.526 ( 2.531 -4.471 6.616) 8.377 24.669 ( 1.449 -6.691 -6.789) 9.641 25.706 ( -13.287 24.243 22.583) 35.696 26.044 ( -11.925 22.092 -12.294) 27.953 ======================= Grid point 149 (46/63) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 6.722 -13.575 10.448) 18.402 2.122 ( 7.338 -16.142 6.808) 18.993 2.360 ( 2.635 -7.218 -11.366) 13.719 2.416 ( 4.126 -6.902 -16.527) 18.380 2.871 ( -4.268 10.537 4.351) 12.173 2.970 ( -4.552 7.362 -5.484) 10.247 3.107 ( -5.416 5.183 7.577) 10.658 3.182 ( -3.339 4.644 5.236) 7.754 3.261 ( -4.727 8.052 -5.567) 10.871 3.321 ( -3.503 -3.029 -6.288) 7.809 3.433 ( -0.032 2.459 5.221) 5.771 3.520 ( -0.833 7.646 -4.003) 8.671 3.925 ( 5.190 -8.338 12.958) 16.259 4.076 ( -0.743 0.666 0.296) 1.041 4.110 ( -0.471 -1.516 1.974) 2.533 4.183 ( 0.262 -2.232 -3.008) 3.755 4.488 ( 2.098 1.006 7.448) 7.803 4.620 ( -0.264 -2.553 -5.770) 6.315 4.795 ( 1.117 0.230 0.888) 1.446 4.848 ( -0.091 1.796 -2.784) 3.314 5.284 ( 0.549 -4.088 0.056) 4.125 5.383 ( -0.960 -1.263 -7.447) 7.614 5.594 ( 1.035 -0.648 5.337) 5.475 5.695 ( 3.377 -1.040 2.783) 4.498 5.796 ( 2.672 -5.165 3.586) 6.832 5.838 ( -0.166 -0.010 -3.308) 3.312 6.032 ( 5.326 -3.591 8.789) 10.886 6.209 ( 1.000 -0.223 -4.865) 4.972 6.449 ( -0.538 2.993 -1.069) 3.224 6.451 ( -1.958 4.205 -1.289) 4.814 6.823 ( -2.644 -5.759 3.551) 7.264 6.901 ( -3.569 -2.952 -3.258) 5.663 6.996 ( 0.332 1.925 4.267) 4.693 7.106 ( 3.535 -4.211 -4.286) 6.971 7.236 ( -0.556 8.927 2.352) 9.249 7.320 ( -3.239 8.991 -1.853) 9.734 7.396 ( -4.116 3.662 2.895) 6.223 7.456 ( -0.245 3.309 -1.665) 3.713 7.689 ( 3.448 -0.145 0.749) 3.532 7.752 ( 2.742 2.017 -2.730) 4.364 8.463 ( 0.054 3.852 -0.033) 3.852 8.486 ( -5.226 1.244 -3.049) 6.177 8.979 ( -1.274 0.094 13.154) 13.216 9.191 ( 3.686 -2.194 -5.619) 7.069 9.478 ( 0.030 -7.643 4.632) 8.938 9.584 ( -0.498 -8.039 1.357) 8.168 9.664 ( 0.652 -4.155 10.522) 11.331 9.889 ( 2.870 0.453 0.686) 2.985 9.995 ( 4.255 0.115 -17.602) 18.109 10.054 ( -1.145 -3.515 -12.756) 13.280 10.735 ( 4.676 -5.506 1.297) 7.339 10.765 ( -0.610 -3.305 -1.374) 3.631 11.264 ( 5.009 -8.789 4.227) 10.964 11.359 ( 4.847 -3.274 -4.324) 7.274 11.463 ( -2.494 4.527 6.563) 8.354 11.592 ( -2.515 2.017 -5.271) 6.179 11.614 ( 1.394 -0.868 3.746) 4.090 11.708 ( 0.543 3.959 -4.812) 6.255 12.297 ( -2.608 2.351 0.698) 3.580 12.372 ( 0.136 0.846 -7.601) 7.649 13.161 ( -7.495 8.555 10.925) 15.770 13.294 ( -5.742 5.488 0.424) 7.954 13.722 ( 0.332 7.014 9.043) 11.449 13.921 ( -6.303 1.757 -9.337) 11.402 14.705 ( 3.384 -5.958 1.107) 6.941 14.728 ( 3.375 -5.525 -1.213) 6.587 15.320 ( -0.310 -2.981 3.083) 4.299 15.409 ( 5.093 -0.402 -5.492) 7.501 18.038 ( -2.836 1.385 6.273) 7.022 18.138 ( 0.008 0.789 -2.678) 2.791 18.295 ( -1.180 -0.129 3.135) 3.352 18.369 ( 2.133 -2.893 -3.628) 5.107 20.144 ( -0.397 4.401 9.600) 10.568 20.413 ( 0.441 -1.975 -18.074) 18.187 20.944 ( -1.663 0.612 13.824) 13.937 21.264 ( -0.312 -0.684 -17.786) 17.802 22.161 ( 1.758 0.845 3.414) 3.933 22.300 ( 1.170 -0.854 -9.952) 10.057 23.609 ( 0.565 -0.472 9.078) 9.108 23.730 ( 1.129 -0.361 -3.171) 3.386 23.803 ( 0.064 -0.169 0.130) 0.222 23.806 ( 0.107 -0.076 -0.181) 0.224 24.284 ( 0.809 -1.268 0.875) 1.740 24.300 ( 1.249 -1.091 -0.519) 1.738 24.456 ( 0.306 -2.509 6.090) 6.593 24.483 ( 0.410 -2.303 3.565) 4.264 24.657 ( 3.239 -6.086 7.111) 9.905 24.830 ( 2.559 -8.660 -8.531) 12.422 25.239 ( -7.902 15.123 17.022) 24.102 25.552 ( -9.868 19.273 -13.328) 25.426 ======================= Grid point 150 (47/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 0.000 0.000 3.957) 3.957 2.402 ( -0.000 0.000 -9.352) 9.352 2.410 ( 0.000 -0.000 -1.299) 1.299 2.447 ( 0.000 -0.000 -3.607) 3.607 2.772 ( 0.000 -0.000 5.463) 5.463 2.861 ( 0.000 -0.000 -3.671) 3.671 3.002 ( 0.000 -0.000 3.134) 3.134 3.119 ( 0.000 -0.000 -7.574) 7.574 3.149 ( 0.000 -0.000 9.295) 9.295 3.333 ( 0.000 -0.000 -7.063) 7.063 3.399 ( 0.000 -0.000 0.726) 0.726 3.438 ( 0.000 -0.000 -1.552) 1.552 4.055 ( -0.000 0.000 1.343) 1.343 4.056 ( 0.000 -0.000 1.724) 1.724 4.118 ( 0.000 0.000 6.467) 6.467 4.211 ( 0.000 -0.000 -1.537) 1.537 4.498 ( 0.000 -0.000 10.876) 10.876 4.637 ( 0.000 -0.000 -1.766) 1.766 4.794 ( 0.000 -0.000 1.253) 1.253 4.812 ( 0.000 -0.000 -0.142) 0.142 5.351 ( -0.000 0.000 -4.296) 4.296 5.365 ( 0.000 -0.000 -2.643) 2.643 5.608 ( 0.000 -0.000 2.218) 2.218 5.720 ( 0.000 -0.000 -0.567) 0.567 5.838 ( 0.000 -0.000 -1.347) 1.347 5.854 ( -0.000 -0.000 4.824) 4.824 6.102 ( 0.000 -0.000 4.890) 4.890 6.207 ( 0.000 -0.000 -2.843) 2.843 6.404 ( -0.000 -0.000 -0.687) 0.687 6.405 ( 0.000 0.000 -0.140) 0.140 6.921 ( -0.000 0.000 1.212) 1.212 6.925 ( 0.000 -0.000 2.190) 2.190 6.985 ( 0.000 -0.000 4.481) 4.481 7.121 ( 0.000 -0.000 1.640) 1.640 7.190 ( 0.000 -0.000 -0.392) 0.392 7.209 ( 0.000 -0.000 -12.870) 12.870 7.324 ( 0.000 -0.000 5.731) 5.731 7.432 ( 0.000 -0.000 -5.042) 5.042 7.711 ( 0.000 -0.000 1.233) 1.233 7.737 ( 0.000 -0.000 1.126) 1.126 8.428 ( 0.000 -0.000 0.298) 0.298 8.446 ( 0.000 -0.000 -3.173) 3.173 8.968 ( 0.000 -0.000 13.090) 13.090 9.214 ( 0.000 -0.000 -8.978) 8.978 9.546 ( 0.000 -0.000 5.981) 5.981 9.638 ( 0.000 -0.000 15.145) 15.145 9.735 ( 0.000 -0.000 -4.912) 4.912 9.888 ( 0.000 -0.000 1.384) 1.384 10.025 ( 0.000 -0.000 -15.419) 15.419 10.094 ( 0.000 -0.000 -15.964) 15.964 10.799 ( -0.000 -0.000 1.948) 1.948 10.821 ( 0.000 -0.000 -0.795) 0.795 11.379 ( 0.000 -0.000 5.460) 5.460 11.385 ( -0.000 -0.000 3.979) 3.979 11.465 ( 0.000 -0.000 -2.545) 2.545 11.494 ( 0.000 0.000 -5.817) 5.817 11.628 ( 0.000 -0.000 2.562) 2.562 11.645 ( -0.000 -0.000 0.590) 0.590 12.282 ( 0.000 0.000 1.784) 1.784 12.378 ( 0.000 -0.000 -8.493) 8.493 13.031 ( 0.000 -0.000 10.182) 10.182 13.218 ( 0.000 -0.000 -7.343) 7.343 13.653 ( 0.000 -0.000 13.877) 13.877 13.874 ( 0.000 -0.000 -7.645) 7.645 14.784 ( 0.000 -0.000 0.803) 0.803 14.800 ( 0.000 -0.000 -0.769) 0.769 15.345 ( 0.000 -0.000 2.805) 2.805 15.438 ( 0.000 -0.000 -5.972) 5.972 18.006 ( 0.000 -0.000 6.809) 6.809 18.123 ( 0.000 -0.000 -4.684) 4.684 18.291 ( 0.000 -0.000 6.833) 6.833 18.408 ( 0.000 -0.000 -4.842) 4.842 20.103 ( 0.000 -0.000 12.736) 12.736 20.434 ( 0.000 -0.000 -20.685) 20.685 20.930 ( 0.000 -0.000 14.533) 14.533 21.269 ( 0.000 -0.000 -18.821) 18.821 22.162 ( 0.000 -0.000 3.818) 3.818 22.314 ( 0.000 -0.000 -10.625) 10.625 23.617 ( 0.000 -0.000 9.373) 9.373 23.740 ( 0.000 -0.000 -2.984) 2.984 23.805 ( 0.000 -0.000 0.064) 0.064 23.807 ( 0.000 -0.000 -0.120) 0.120 24.301 ( 0.000 -0.000 0.905) 0.905 24.317 ( 0.000 -0.000 -0.486) 0.486 24.482 ( 0.000 -0.000 6.742) 6.742 24.503 ( 0.000 -0.000 4.787) 4.787 24.768 ( 0.000 -0.000 11.496) 11.496 24.917 ( 0.000 0.000 1.969) 1.969 25.116 ( 0.000 -0.000 -4.148) 4.148 25.235 ( 0.000 -0.000 -10.357) 10.357 ======================= Grid point 156 (48/63) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 4.072 0.000 30.902) 31.170 1.588 ( 10.193 0.000 29.733) 31.432 2.034 ( 2.431 0.000 -26.047) 26.160 2.101 ( 5.421 0.000 -21.466) 22.140 2.836 ( 15.854 0.000 51.216) 53.614 3.269 ( -3.148 -0.000 0.591) 3.203 3.283 ( -2.490 -0.000 -0.732) 2.595 3.377 ( 0.255 0.000 2.922) 2.933 3.397 ( 0.677 0.000 0.246) 0.721 3.571 ( -9.673 -0.000 -11.111) 14.731 3.704 ( -4.437 -0.000 -0.165) 4.440 3.865 ( -6.094 -0.000 2.066) 6.435 3.874 ( -2.112 -0.000 -13.055) 13.225 3.986 ( 0.508 0.000 -23.764) 23.770 4.241 ( -0.379 -0.000 -0.997) 1.067 4.273 ( -0.766 -0.000 -2.431) 2.549 4.415 ( 0.756 0.000 2.836) 2.935 4.475 ( -0.051 -0.000 -2.656) 2.657 4.597 ( -4.427 -0.000 0.462) 4.451 4.642 ( -7.739 -0.000 -4.721) 9.066 4.974 ( 10.501 0.000 10.077) 14.554 5.217 ( 7.260 0.000 -11.634) 13.713 5.415 ( 11.917 0.000 10.568) 15.928 5.532 ( 4.864 0.000 2.812) 5.619 5.637 ( 5.039 0.000 -5.717) 7.621 5.665 ( 2.341 0.000 -12.000) 12.226 5.926 ( 2.362 0.000 14.185) 14.380 6.258 ( 0.452 0.000 14.205) 14.212 6.263 ( 4.045 0.000 -19.128) 19.550 6.529 ( -1.650 -0.000 -11.328) 11.448 7.028 ( -1.738 -0.000 7.459) 7.659 7.038 ( -3.110 -0.000 3.995) 5.063 7.306 ( -9.343 -0.000 6.686) 11.489 7.413 ( -8.953 -0.000 -3.760) 9.710 7.476 ( -0.950 -0.000 -1.279) 1.594 7.480 ( -3.242 -0.000 -0.924) 3.371 7.639 ( -1.851 -0.000 2.982) 3.509 7.676 ( -7.486 -0.000 -0.090) 7.487 8.058 ( -37.062 -0.000 7.337) 37.781 8.105 ( -30.534 -0.000 3.266) 30.708 8.628 ( 5.821 0.000 1.914) 6.128 8.665 ( 15.928 0.000 -1.301) 15.981 8.726 ( 0.167 0.000 -1.876) 1.883 8.783 ( -14.424 -0.000 -6.361) 15.764 9.192 ( 8.463 0.000 16.935) 18.931 9.427 ( 11.819 0.000 -8.394) 14.496 9.551 ( 0.117 0.000 18.843) 18.843 9.832 ( 5.549 0.000 17.188) 18.062 9.935 ( -1.022 -0.000 -18.311) 18.339 10.198 ( 0.238 0.000 -12.518) 12.521 10.305 ( 39.701 0.000 11.083) 41.219 10.599 ( 43.456 0.000 -19.333) 47.562 10.689 ( 2.094 0.000 4.922) 5.349 10.734 ( 4.655 0.000 -11.313) 12.233 10.823 ( 6.961 0.000 3.664) 7.866 11.091 ( 5.531 0.000 -18.601) 19.406 11.910 ( -7.760 -0.000 -0.724) 7.793 11.914 ( -6.686 -0.000 -1.706) 6.900 12.703 ( -9.217 -0.000 0.140) 9.218 12.705 ( -8.805 -0.000 -0.060) 8.806 13.613 ( -4.696 -0.000 32.104) 32.446 13.657 ( -10.136 -0.000 25.405) 27.353 14.098 ( -18.906 -0.000 -19.037) 26.830 14.203 ( -4.707 -0.000 -26.449) 26.865 14.410 ( 4.482 0.000 1.355) 4.683 14.439 ( 4.709 0.000 -1.406) 4.915 15.106 ( 2.383 0.000 10.652) 10.915 15.287 ( 12.664 0.000 -8.374) 15.183 18.070 ( 0.792 0.000 4.081) 4.157 18.089 ( 1.048 0.000 3.214) 3.380 18.130 ( 2.750 0.000 -2.301) 3.586 18.200 ( 5.753 0.000 -8.320) 10.115 20.281 ( -0.276 -0.000 11.128) 11.132 20.489 ( -1.451 -0.000 -9.335) 9.447 20.994 ( -5.578 -0.000 9.848) 11.318 21.225 ( -3.156 -0.000 -13.846) 14.202 22.170 ( 2.928 0.000 3.909) 4.884 22.282 ( 6.954 0.000 -7.325) 10.100 23.594 ( 0.561 0.000 6.169) 6.195 23.691 ( 1.990 0.000 -3.767) 4.261 23.797 ( 0.230 0.000 -0.008) 0.230 23.798 ( 0.236 0.000 -0.075) 0.247 24.170 ( 0.924 0.000 0.975) 1.344 24.184 ( 0.621 0.000 -0.439) 0.760 24.283 ( 6.134 0.000 0.980) 6.212 24.302 ( 6.069 0.000 -0.784) 6.120 24.467 ( 0.565 0.000 3.829) 3.870 24.533 ( 0.862 0.000 -2.794) 2.924 26.324 ( -28.094 -0.000 14.750) 31.730 26.521 ( -18.058 -0.000 -6.727) 19.270 ======================= Grid point 157 (49/63) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 11.707 -8.338 22.327) 26.554 1.730 ( 13.215 -3.238 25.167) 28.610 2.102 ( 3.220 -4.457 -24.424) 25.036 2.197 ( 7.451 -3.200 -20.755) 22.283 3.088 ( 9.213 -8.170 29.644) 32.099 3.212 ( -6.218 2.015 1.645) 6.740 3.233 ( -3.420 2.361 -1.873) 4.559 3.344 ( -2.224 5.834 1.960) 6.544 3.372 ( -6.458 4.220 2.248) 8.035 3.402 ( -0.630 3.014 -1.867) 3.601 3.536 ( -3.651 10.343 1.613) 11.087 3.714 ( -8.088 2.734 -4.289) 9.554 3.865 ( -9.473 -0.269 0.740) 9.506 4.008 ( 2.745 -1.326 -13.133) 13.482 4.153 ( -0.884 5.652 0.256) 5.726 4.226 ( 0.402 3.439 -8.839) 9.493 4.476 ( 2.005 -2.701 2.503) 4.192 4.513 ( -0.353 -4.029 -2.129) 4.571 4.649 ( -2.556 -6.560 -1.096) 7.125 4.701 ( 3.704 -8.521 -7.203) 11.756 5.139 ( 8.823 -4.620 7.288) 12.341 5.293 ( 4.068 -2.794 -5.635) 7.490 5.568 ( 9.216 -3.691 5.468) 11.334 5.575 ( 1.708 -0.677 3.451) 3.909 5.703 ( 2.495 -2.555 -7.586) 8.384 5.728 ( 6.465 -1.480 -6.926) 9.589 6.000 ( 4.159 -3.500 14.369) 15.363 6.173 ( 1.994 4.706 4.786) 7.002 6.388 ( 1.219 -4.145 -7.787) 8.905 6.487 ( -2.089 0.955 -8.204) 8.520 6.910 ( -8.675 6.437 5.370) 12.063 6.993 ( -5.037 2.751 -1.146) 5.853 7.127 ( -10.573 4.689 8.943) 14.620 7.246 ( -8.354 6.974 -2.671) 11.205 7.415 ( -7.417 0.829 2.436) 7.850 7.474 ( -5.960 -1.104 -3.531) 7.015 7.523 ( -14.022 3.711 6.934) 16.076 7.622 ( -9.719 -0.429 -2.916) 10.156 7.713 ( -6.398 7.806 5.849) 11.666 7.830 ( -1.123 0.872 -6.060) 6.225 8.571 ( -8.130 4.741 0.624) 9.432 8.641 ( -0.041 5.150 -5.443) 7.493 8.879 ( 11.888 -10.029 3.717) 15.991 8.949 ( 16.585 -7.765 -1.224) 18.353 9.266 ( 5.994 0.890 13.187) 14.512 9.459 ( 10.278 5.215 -4.387) 12.332 9.563 ( -1.261 -1.706 18.727) 18.847 9.906 ( 5.370 0.203 -4.083) 6.749 9.963 ( 2.046 -2.966 -7.578) 8.391 10.128 ( 3.806 6.402 -12.321) 14.397 10.600 ( 10.254 -0.158 5.019) 11.417 10.698 ( 6.007 1.464 -2.439) 6.647 10.904 ( 7.289 -8.770 9.463) 14.819 11.084 ( 17.070 -17.680 1.830) 24.644 11.170 ( 8.436 -6.027 -10.277) 14.598 11.297 ( 17.538 -19.484 -21.213) 33.722 11.766 ( -9.489 5.075 -0.241) 10.763 11.792 ( -8.418 4.311 -3.979) 10.261 12.537 ( -9.935 6.357 -0.304) 11.798 12.544 ( -9.924 5.863 -1.021) 11.571 13.470 ( -11.510 5.070 21.994) 25.336 13.526 ( -6.762 5.849 20.884) 22.718 13.913 ( -17.911 -1.441 -12.295) 21.773 14.055 ( -4.192 8.954 -18.397) 20.886 14.501 ( 6.224 -3.729 1.507) 7.410 14.531 ( 6.442 -3.711 -1.496) 7.583 15.175 ( 2.512 -3.686 13.326) 14.052 15.417 ( 11.490 0.010 -11.107) 15.981 18.073 ( -0.538 0.042 6.463) 6.485 18.129 ( 1.872 -1.704 2.267) 3.398 18.188 ( 2.071 -3.212 -1.652) 4.163 18.272 ( 1.542 -2.379 -10.520) 10.895 20.288 ( -0.785 -0.513 6.205) 6.275 20.423 ( 0.131 4.996 -7.182) 8.750 20.940 ( -5.620 -0.658 10.702) 12.106 21.207 ( -2.977 -1.631 -16.691) 17.033 22.197 ( 2.807 0.592 4.453) 5.297 22.331 ( 6.541 2.208 -8.860) 11.232 23.600 ( 1.195 0.110 8.036) 8.125 23.721 ( 2.779 -0.337 -4.347) 5.170 23.799 ( 0.205 -0.009 0.106) 0.231 23.802 ( 0.260 -0.121 -0.159) 0.329 24.215 ( 1.112 -2.814 0.771) 3.122 24.226 ( 1.175 -3.173 -0.343) 3.401 24.364 ( 5.636 -1.517 1.630) 6.059 24.381 ( 5.069 -1.659 0.322) 5.343 24.488 ( 1.410 -1.993 5.217) 5.760 24.584 ( 1.402 -4.227 -4.329) 6.211 25.877 ( -24.657 15.105 21.998) 36.332 26.194 ( -20.368 12.472 -11.217) 26.386 ======================= Grid point 158 (50/63) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 13.173 -10.894 12.915) 21.425 1.993 ( 15.459 -10.652 13.259) 22.984 2.256 ( 4.592 -7.691 -16.535) 18.805 2.360 ( 8.058 -5.666 -18.699) 21.135 3.012 ( -8.440 10.982 2.098) 14.009 3.048 ( -7.141 8.192 -1.580) 10.982 3.135 ( -5.148 4.784 4.558) 8.377 3.226 ( -4.334 -2.373 -3.287) 5.935 3.243 ( -6.469 6.068 3.548) 9.553 3.321 ( -7.054 5.386 -4.611) 10.001 3.444 ( -0.046 0.537 9.870) 9.885 3.597 ( -3.362 3.238 -5.817) 7.458 3.876 ( 6.555 -5.040 14.469) 16.665 4.048 ( -0.800 -1.512 2.098) 2.707 4.102 ( 0.166 -0.331 -2.986) 3.009 4.191 ( 2.726 2.827 -7.346) 8.330 4.521 ( 1.634 -0.509 4.612) 4.919 4.574 ( 1.085 -2.824 -0.729) 3.112 4.766 ( 0.337 -5.646 1.052) 5.753 4.865 ( 3.676 -2.964 -7.655) 8.995 5.234 ( 2.031 -2.144 4.829) 5.661 5.408 ( 5.498 -0.775 -9.970) 11.412 5.581 ( -0.748 -0.702 6.535) 6.615 5.709 ( 3.840 -3.838 -0.078) 5.430 5.777 ( 2.399 -2.644 -3.585) 5.059 5.802 ( 3.400 -1.057 0.228) 3.567 6.053 ( 3.046 2.003 12.200) 12.733 6.180 ( -0.099 -2.652 2.087) 3.376 6.427 ( -1.122 -2.954 -0.164) 3.164 6.477 ( -2.388 1.177 -5.579) 6.182 6.724 ( -6.924 -0.276 4.470) 8.246 6.837 ( -9.536 3.907 -3.616) 10.922 7.041 ( -3.540 -0.400 1.778) 3.981 7.073 ( -1.286 2.763 -2.122) 3.713 7.296 ( -8.003 3.005 -0.159) 8.550 7.354 ( -11.138 2.257 -1.780) 11.503 7.400 ( -4.160 2.450 4.267) 6.444 7.494 ( -2.877 0.741 -3.400) 4.515 7.700 ( 2.958 0.321 5.861) 6.573 7.846 ( 4.106 3.099 -5.981) 7.889 8.432 ( -7.047 1.475 2.785) 7.720 8.558 ( 1.451 4.701 -8.079) 9.459 9.091 ( 11.738 4.925 13.374) 18.464 9.214 ( 10.188 -7.565 5.406) 13.793 9.415 ( 11.280 -5.403 -5.020) 13.477 9.485 ( 4.796 -2.047 -6.007) 7.954 9.597 ( 0.070 -3.517 18.123) 18.461 9.945 ( 2.701 -0.572 -6.843) 7.379 10.023 ( 5.027 1.223 -8.112) 9.621 10.080 ( 4.782 3.220 -11.528) 12.889 10.695 ( 3.652 -3.246 1.079) 5.004 10.734 ( 3.870 0.090 -2.669) 4.702 11.129 ( 4.084 -10.348 9.771) 14.807 11.327 ( 4.019 -5.057 -7.756) 10.094 11.467 ( 1.843 -4.149 7.137) 8.459 11.584 ( -1.604 -0.477 0.334) 1.707 11.604 ( -5.127 2.614 -0.710) 5.799 11.694 ( -1.381 -4.748 -11.921) 12.906 12.321 ( -7.399 5.551 0.245) 9.253 12.381 ( -4.089 2.397 -7.118) 8.552 13.244 ( -7.880 7.782 13.959) 17.819 13.340 ( -5.647 6.136 8.318) 11.779 13.777 ( -12.724 0.265 -3.987) 13.337 13.864 ( -4.773 5.546 -7.437) 10.433 14.652 ( 6.312 -5.280 1.503) 8.365 14.683 ( 6.414 -5.059 -1.524) 8.310 15.259 ( 1.249 -3.187 12.385) 12.849 15.507 ( 8.617 1.730 -11.907) 14.799 18.051 ( -0.582 1.539 7.448) 7.627 18.169 ( 2.542 0.263 -0.862) 2.697 18.246 ( -2.304 -1.965 -0.405) 3.055 18.315 ( -0.687 -3.619 -5.645) 6.741 20.231 ( -1.001 5.109 6.199) 8.095 20.396 ( 1.895 -0.551 -10.741) 10.921 20.905 ( -4.349 -1.237 12.656) 13.440 21.217 ( -2.580 -2.433 -18.694) 19.027 22.201 ( 1.658 1.549 4.137) 4.718 22.346 ( 4.683 2.347 -10.095) 11.373 23.614 ( 1.329 -0.075 9.664) 9.755 23.752 ( 2.757 0.333 -4.280) 5.102 23.802 ( 0.146 -0.081 0.206) 0.266 23.807 ( 0.219 -0.090 -0.250) 0.345 24.277 ( 2.177 -2.064 1.211) 3.236 24.299 ( 2.635 -2.253 -0.993) 3.606 24.428 ( 2.195 -1.228 4.130) 4.836 24.446 ( 1.516 -1.826 2.834) 3.697 24.577 ( 2.070 -5.507 5.521) 8.067 24.708 ( 2.315 -7.501 -6.633) 10.277 25.392 ( -15.570 14.684 20.505) 29.640 25.737 ( -16.563 15.870 -13.787) 26.763 ======================= Grid point 159 (51/63) ======================= q-point: ( 0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 7.995 -8.359 7.572) 13.824 2.341 ( 12.567 -8.113 -0.475) 14.966 2.410 ( 2.763 -3.310 -6.293) 7.628 2.507 ( 4.775 0.079 -11.354) 12.317 2.787 ( -3.080 4.551 4.078) 6.843 2.861 ( -5.656 3.495 -3.056) 7.317 3.004 ( -4.458 2.796 5.343) 7.499 3.100 ( -6.679 1.543 0.036) 6.855 3.159 ( -1.724 2.459 -1.727) 3.464 3.243 ( -4.081 -4.439 -4.739) 7.669 3.418 ( -1.477 1.857 4.306) 4.917 3.509 ( -0.486 4.791 -4.881) 6.856 4.043 ( 4.057 -4.391 5.435) 8.080 4.058 ( 0.455 -0.082 7.261) 7.275 4.128 ( 1.146 -0.418 -1.282) 1.770 4.179 ( 0.802 -0.433 -3.544) 3.659 4.538 ( 1.473 2.624 9.374) 9.845 4.621 ( 0.448 -2.298 1.864) 2.993 4.821 ( 1.813 0.067 2.036) 2.727 4.861 ( 1.637 3.961 -1.679) 4.603 5.338 ( 4.319 -4.606 -3.313) 7.130 5.385 ( 0.531 3.657 -4.455) 5.788 5.614 ( 1.042 -1.244 1.355) 2.114 5.744 ( -0.632 0.818 -4.593) 4.708 5.815 ( -0.099 -1.377 3.472) 3.736 5.878 ( 4.831 -0.166 4.222) 6.418 6.059 ( -2.381 -2.063 6.232) 6.983 6.177 ( -3.915 -0.316 -0.731) 3.995 6.399 ( -3.035 2.011 0.077) 3.642 6.428 ( -1.841 2.648 -3.893) 5.055 6.784 ( -1.537 -9.929 2.855) 10.445 6.807 ( -5.075 -7.960 0.911) 9.484 6.979 ( -2.530 1.851 2.914) 4.280 7.115 ( -1.738 -2.132 4.449) 5.230 7.160 ( -7.767 2.408 -9.879) 12.795 7.229 ( -2.345 0.954 -6.795) 7.251 7.352 ( -1.115 0.239 6.560) 6.658 7.489 ( 2.722 1.013 -6.447) 7.071 7.687 ( -1.140 2.972 5.643) 6.479 7.784 ( 0.673 5.159 -2.613) 5.822 8.369 ( -4.498 -0.951 4.453) 6.401 8.512 ( 2.639 2.759 -8.450) 9.273 9.085 ( 9.861 6.244 14.036) 18.255 9.302 ( 4.925 4.628 -4.074) 7.891 9.531 ( 4.096 -3.554 3.865) 6.659 9.673 ( 5.846 -2.045 17.611) 18.668 9.696 ( 5.588 -5.519 -9.720) 12.496 9.961 ( 4.400 3.420 1.023) 5.665 10.026 ( 2.830 2.991 -10.200) 11.000 10.130 ( 5.803 -1.595 -17.543) 18.547 10.754 ( -1.666 -2.397 2.248) 3.684 10.800 ( 1.812 -2.930 -3.217) 4.714 11.324 ( 0.939 -7.025 6.246) 9.447 11.379 ( -4.108 1.936 3.405) 5.676 11.399 ( -2.562 -2.507 -0.791) 3.671 11.487 ( -6.076 1.740 -7.362) 9.703 11.632 ( -2.249 1.139 3.166) 4.047 11.659 ( -3.447 2.179 0.498) 4.108 12.245 ( -2.330 -1.979 1.708) 3.502 12.358 ( -2.217 -0.848 -10.286) 10.556 13.089 ( 1.460 4.504 10.686) 11.688 13.246 ( 1.658 1.523 -1.956) 2.982 13.629 ( -8.383 2.530 6.887) 11.141 13.798 ( -6.158 -3.701 -7.352) 10.280 14.781 ( 3.735 -2.317 1.144) 4.542 14.805 ( 3.681 -1.731 -1.110) 4.216 15.307 ( -0.333 -1.734 10.100) 10.253 15.528 ( 5.381 4.056 -11.153) 13.031 18.026 ( 1.614 1.115 7.314) 7.573 18.159 ( 1.905 2.522 -5.561) 6.397 18.253 ( -2.676 -2.426 6.662) 7.579 18.369 ( -1.966 -2.920 -5.058) 6.162 20.141 ( 0.136 3.885 11.447) 12.089 20.430 ( 1.144 -0.902 -17.625) 17.686 20.896 ( -2.742 -1.906 14.084) 14.474 21.234 ( -2.356 -2.192 -19.490) 19.754 22.180 ( 0.316 1.791 4.842) 5.172 22.347 ( 2.802 1.873 -11.473) 11.958 23.624 ( 0.778 0.308 10.088) 10.122 23.761 ( 1.728 1.235 -3.685) 4.254 23.805 ( 0.090 -0.082 0.168) 0.207 23.809 ( 0.123 0.051 -0.220) 0.258 24.322 ( 2.799 0.208 1.221) 3.061 24.342 ( 2.594 0.810 -0.347) 2.740 24.463 ( 0.177 -1.408 5.552) 5.730 24.482 ( -0.507 -1.957 3.814) 4.317 24.712 ( 2.374 -6.661 8.836) 11.317 24.881 ( 1.986 -6.459 -4.992) 8.402 25.077 ( -6.939 4.294 9.296) 12.369 25.333 ( -10.607 12.828 -12.731) 20.956 ======================= Grid point 160 (52/63) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.378 9.775 8.132) 12.790 2.361 ( -1.167 14.118 0.253) 14.169 2.444 ( -0.581 4.124 -6.786) 7.962 2.483 ( 2.425 1.090 -8.992) 9.377 2.752 ( -1.745 -3.705 5.413) 6.788 2.880 ( 0.523 -5.615 -6.165) 8.355 3.047 ( 5.999 -7.640 3.892) 10.465 3.144 ( 2.387 -8.468 -3.947) 9.643 3.170 ( 1.695 -0.944 6.967) 7.232 3.317 ( -1.963 -7.002 -3.093) 7.903 3.376 ( -2.037 -2.029 -0.065) 2.876 3.439 ( 0.147 2.502 -4.235) 4.921 4.038 ( 0.185 4.355 7.373) 8.565 4.103 ( 2.273 1.775 -0.096) 2.886 4.140 ( 2.098 0.206 3.087) 3.737 4.191 ( -1.727 0.464 0.425) 1.838 4.448 ( -4.046 0.780 12.540) 13.200 4.669 ( 2.497 0.908 -7.413) 7.874 4.807 ( 0.428 2.579 0.209) 2.622 4.842 ( 2.161 0.426 -1.199) 2.508 5.337 ( 0.750 1.680 2.351) 2.986 5.439 ( 5.084 -0.121 -4.670) 6.904 5.614 ( -0.231 1.937 -0.023) 1.951 5.702 ( -0.575 2.024 -1.836) 2.792 5.835 ( 0.127 0.050 3.457) 3.459 5.870 ( 0.051 3.569 5.473) 6.534 6.023 ( -5.893 2.349 4.173) 7.593 6.158 ( -3.863 -2.666 -4.670) 6.621 6.372 ( -2.302 -2.613 0.433) 3.509 6.388 ( -1.538 -2.129 -2.258) 3.464 6.899 ( -2.828 -0.070 2.532) 3.797 6.916 ( -0.514 -3.404 1.494) 3.753 6.980 ( -0.259 -7.077 -0.117) 7.083 7.040 ( -6.268 -1.924 -5.804) 8.757 7.143 ( -0.066 -1.111 4.841) 4.968 7.227 ( 0.681 -0.176 -3.167) 3.245 7.383 ( 2.966 -2.361 1.723) 4.164 7.460 ( 2.313 4.024 -2.441) 5.244 7.616 ( -5.383 -0.641 1.179) 5.548 7.710 ( -4.072 1.755 -5.986) 7.450 8.382 ( -1.232 -4.030 4.713) 6.322 8.520 ( 3.628 -0.319 -7.457) 8.299 9.088 ( 8.947 4.424 13.318) 16.643 9.255 ( 2.109 4.464 -2.753) 5.653 9.592 ( 3.790 1.474 7.309) 8.364 9.718 ( 0.682 1.756 5.300) 5.625 9.771 ( 8.999 5.409 3.205) 10.978 9.916 ( 0.289 5.455 -0.805) 5.522 9.982 ( 1.583 2.818 -9.371) 9.913 10.157 ( 2.389 4.658 -16.798) 17.594 10.747 ( -5.171 0.671 2.998) 6.015 10.823 ( 1.316 1.204 -5.374) 5.663 11.298 ( -7.891 1.923 0.505) 8.138 11.336 ( -6.646 0.315 -2.638) 7.157 11.419 ( 1.833 -1.147 6.193) 6.560 11.527 ( 0.824 -8.172 -3.658) 8.991 11.577 ( -3.320 -1.010 2.701) 4.398 11.627 ( -2.146 -1.155 -2.197) 3.282 12.280 ( -0.115 -2.122 1.280) 2.481 12.343 ( -2.130 -0.904 -5.937) 6.372 13.133 ( 8.403 -3.324 9.301) 12.968 13.289 ( 5.645 -1.145 -5.029) 7.646 13.569 ( -7.218 -5.376 15.640) 18.045 13.859 ( -1.549 -7.694 -12.728) 14.953 14.783 ( -0.085 4.374 0.855) 4.458 14.801 ( 0.127 4.179 -0.887) 4.274 15.315 ( -1.669 -0.239 7.234) 7.428 15.478 ( 2.408 5.855 -8.577) 10.660 18.058 ( 4.612 -0.918 6.388) 7.932 18.152 ( 2.425 0.833 -1.689) 3.070 18.270 ( -1.742 -2.172 3.999) 4.873 18.364 ( -4.014 0.101 -4.401) 5.957 20.106 ( 0.247 0.030 12.712) 12.715 20.440 ( 0.468 0.842 -21.000) 21.022 20.917 ( -0.955 -2.543 13.967) 14.229 21.246 ( -1.765 -1.551 -18.573) 18.721 22.149 ( -0.828 1.231 5.965) 6.147 22.334 ( 1.388 2.142 -12.215) 12.479 23.618 ( 0.092 0.768 9.521) 9.553 23.745 ( 0.352 1.671 -3.144) 3.578 23.806 ( 0.040 0.080 0.060) 0.107 23.808 ( 0.014 0.145 -0.095) 0.174 24.320 ( 1.562 2.384 0.941) 3.001 24.328 ( 0.872 2.280 0.644) 2.525 24.478 ( -0.602 -0.217 5.326) 5.364 24.503 ( 0.472 -0.122 3.226) 3.263 24.728 ( -3.082 5.885 11.377) 13.175 24.933 ( 0.956 0.742 -2.574) 2.844 25.068 ( -2.665 -3.620 3.664) 5.799 25.288 ( 3.167 -16.896 -11.749) 20.822 ======================= Grid point 161 (53/63) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.666 16.989 13.999) 22.023 2.023 ( -2.786 18.174 12.392) 22.172 2.304 ( -2.038 8.145 -11.847) 14.520 2.344 ( -2.354 10.536 -20.602) 23.259 2.937 ( 1.810 -14.405 4.599) 15.229 3.035 ( 1.641 -10.405 -4.819) 11.584 3.197 ( 2.416 -1.481 8.518) 8.977 3.261 ( 3.199 -6.122 1.729) 7.121 3.313 ( 1.071 -6.166 -2.738) 6.831 3.371 ( 0.942 4.000 -6.970) 8.091 3.424 ( -0.589 -3.591 10.445) 11.061 3.549 ( 1.528 -13.568 -3.893) 14.198 3.866 ( -0.875 7.245 15.227) 16.886 4.089 ( 0.974 1.980 -2.901) 3.645 4.117 ( -0.897 3.079 1.070) 3.381 4.163 ( -0.900 1.265 -2.978) 3.358 4.464 ( -0.306 -2.402 7.083) 7.485 4.649 ( 2.539 2.995 -13.009) 13.588 4.779 ( -0.550 0.914 0.056) 1.068 4.813 ( -3.397 1.796 -3.568) 5.244 5.329 ( 3.948 3.473 2.935) 6.022 5.437 ( 3.582 5.770 -7.704) 10.270 5.558 ( -2.403 2.307 5.841) 6.724 5.677 ( 1.009 2.133 1.765) 2.947 5.725 ( -3.663 9.449 1.888) 10.309 5.825 ( -0.230 0.783 1.673) 1.861 5.890 ( -6.644 2.850 9.849) 12.217 6.164 ( -2.018 -0.058 -9.923) 10.126 6.456 ( 0.178 -5.847 -0.234) 5.855 6.477 ( 0.604 -6.231 -2.351) 6.687 6.869 ( 0.697 -0.492 3.320) 3.428 6.943 ( 1.368 -1.842 0.302) 2.314 6.986 ( -1.375 -0.308 -0.858) 1.650 7.033 ( -1.018 -2.004 -2.503) 3.364 7.251 ( 0.929 -9.563 7.922) 12.452 7.360 ( 2.392 -10.430 -0.558) 10.716 7.453 ( -0.381 -3.010 2.129) 3.706 7.491 ( 1.593 -4.934 0.059) 5.185 7.579 ( -3.344 -0.731 -4.364) 5.547 7.643 ( -6.422 -0.786 -7.365) 9.803 8.479 ( 1.378 -6.205 3.189) 7.112 8.597 ( 3.695 -3.632 -6.525) 8.332 9.081 ( 4.644 6.363 11.233) 13.719 9.146 ( -1.170 9.485 1.465) 9.668 9.534 ( 5.650 11.405 7.833) 14.945 9.612 ( -0.242 7.371 4.344) 8.559 9.739 ( 1.479 4.529 10.826) 11.828 9.788 ( -0.053 5.830 -4.001) 7.072 9.943 ( -1.752 3.636 -12.035) 12.694 10.079 ( 0.231 2.811 -13.161) 13.460 10.618 ( -5.164 5.916 6.251) 10.038 10.818 ( 4.470 3.868 -12.592) 13.910 11.107 ( -8.749 8.484 3.909) 12.799 11.247 ( -3.706 4.023 -7.667) 9.419 11.507 ( 1.495 2.138 6.857) 7.337 11.563 ( -1.070 -3.703 3.485) 5.196 11.650 ( 1.331 -5.857 -6.335) 8.730 11.652 ( -3.086 -0.329 -5.598) 6.401 12.340 ( 1.223 -5.990 0.138) 6.115 12.377 ( 0.444 -4.933 -4.127) 6.447 13.312 ( 4.920 -6.655 11.026) 13.787 13.445 ( 8.237 -9.970 2.884) 13.250 13.636 ( -6.864 -8.984 15.339) 19.056 14.027 ( 3.147 -9.315 -19.250) 21.616 14.653 ( -1.453 8.148 1.053) 8.343 14.678 ( -1.319 7.993 -1.366) 8.216 15.280 ( -2.459 1.818 4.747) 5.647 15.376 ( 0.455 6.903 -4.849) 8.449 18.125 ( 3.778 -0.146 4.882) 6.175 18.160 ( 3.006 1.098 2.813) 4.261 18.281 ( -4.956 1.025 -1.840) 5.385 18.306 ( -0.795 -0.217 -2.799) 2.918 20.153 ( 0.339 -5.055 8.216) 9.652 20.411 ( 0.063 2.619 -18.938) 19.118 20.963 ( 0.319 -2.776 12.907) 13.206 21.255 ( -0.604 -0.923 -16.048) 16.086 22.122 ( -1.320 0.451 5.911) 6.073 22.296 ( 0.227 3.046 -11.439) 11.840 23.602 ( -0.182 0.923 8.600) 8.651 23.716 ( -0.317 1.381 -2.998) 3.317 23.802 ( -0.022 0.266 0.109) 0.288 23.805 ( -0.029 0.175 -0.150) 0.233 24.282 ( 0.205 2.542 0.844) 2.686 24.289 ( 0.042 2.386 0.172) 2.393 24.448 ( -0.549 3.219 4.236) 5.348 24.485 ( 0.979 3.276 1.382) 3.688 24.586 ( -2.955 5.491 9.305) 11.202 24.789 ( -1.151 8.318 -9.500) 12.679 25.365 ( 3.604 -21.940 20.167) 30.018 25.703 ( 4.088 -23.912 -13.416) 27.722 ======================= Grid point 162 (54/63) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.000 15.700 23.051) 27.890 1.743 ( -0.000 14.109 23.433) 27.352 2.151 ( -0.000 7.378 -17.051) 18.578 2.167 ( -0.000 6.907 -26.802) 27.677 3.139 ( -0.000 15.694 29.916) 33.782 3.222 ( 0.000 -13.974 1.506) 14.055 3.239 ( 0.000 -9.577 -0.320) 9.582 3.280 ( -0.000 0.812 2.206) 2.350 3.358 ( -0.000 3.696 5.063) 6.268 3.387 ( 0.000 -7.586 0.946) 7.645 3.423 ( 0.000 -7.167 -2.169) 7.488 3.769 ( 0.000 -5.548 -15.504) 16.467 3.970 ( 0.000 -13.727 3.539) 14.176 4.048 ( -0.000 2.965 0.507) 3.008 4.091 ( 0.000 -4.510 -8.860) 9.941 4.109 ( -0.000 4.069 -4.786) 6.282 4.469 ( -0.000 2.039 4.695) 5.119 4.603 ( -0.000 4.430 -12.345) 13.116 4.760 ( -0.000 0.948 -0.968) 1.355 4.773 ( 0.000 -0.402 -2.564) 2.596 5.210 ( -0.000 13.253 6.307) 14.678 5.324 ( -0.000 7.528 -6.900) 10.211 5.458 ( -0.000 8.897 10.059) 13.429 5.532 ( -0.000 5.755 4.383) 7.234 5.644 ( -0.000 2.605 -3.015) 3.984 5.739 ( -0.000 4.782 -8.957) 10.153 5.923 ( 0.000 -5.447 11.561) 12.780 6.115 ( -0.000 3.247 -3.635) 4.874 6.470 ( -0.000 3.331 -6.538) 7.337 6.506 ( -0.000 2.204 -8.724) 8.998 6.929 ( 0.000 -4.041 6.781) 7.894 7.017 ( 0.000 -2.898 -1.229) 3.148 7.170 ( 0.000 -17.662 4.956) 18.344 7.234 ( 0.000 -19.014 0.982) 19.040 7.430 ( 0.000 -9.811 11.466) 15.090 7.432 ( -0.000 0.733 7.002) 7.041 7.573 ( -0.000 1.088 -6.244) 6.338 7.610 ( 0.000 -16.419 2.998) 16.691 7.631 ( 0.000 -5.991 -7.359) 9.489 7.691 ( 0.000 -14.911 -3.862) 15.403 8.604 ( 0.000 -5.905 1.784) 6.169 8.700 ( 0.000 -4.637 -6.569) 8.041 8.861 ( -0.000 16.413 6.443) 17.633 8.928 ( -0.000 15.418 -0.757) 15.436 9.389 ( -0.000 6.851 22.564) 23.581 9.511 ( -0.000 4.750 7.405) 8.798 9.631 ( -0.000 4.172 -3.680) 5.563 9.750 ( -0.000 3.427 12.125) 12.600 9.849 ( -0.000 2.659 -20.165) 20.340 10.051 ( -0.000 1.684 -14.250) 14.349 10.465 ( -0.000 8.161 8.441) 11.741 10.733 ( -0.000 9.043 -18.070) 20.207 10.888 ( -0.000 9.268 11.539) 14.800 11.139 ( -0.000 5.352 -13.455) 14.481 11.226 ( -0.000 22.808 4.136) 23.180 11.412 ( -0.000 23.603 -13.432) 27.157 11.755 ( 0.000 -10.932 1.075) 10.985 11.803 ( 0.000 -8.881 -3.983) 9.733 12.521 ( 0.000 -11.727 0.270) 11.730 12.537 ( 0.000 -11.367 -1.422) 11.455 13.467 ( 0.000 -7.977 20.144) 21.666 13.693 ( 0.000 -5.221 28.044) 28.526 13.786 ( 0.000 -17.384 -11.115) 20.634 14.207 ( 0.000 -7.513 -23.326) 24.506 14.501 ( -0.000 7.290 1.201) 7.388 14.528 ( -0.000 7.286 -1.437) 7.427 15.210 ( -0.000 3.736 2.417) 4.450 15.256 ( -0.000 6.590 -1.835) 6.841 18.115 ( -0.000 1.837 3.649) 4.085 18.180 ( -0.000 2.252 4.468) 5.003 18.181 ( -0.000 3.250 -2.868) 4.335 18.289 ( -0.000 3.715 -6.390) 7.391 20.281 ( 0.000 -8.060 0.597) 8.082 20.359 ( -0.000 2.496 -9.154) 9.488 21.013 ( 0.000 -2.363 11.635) 11.873 21.265 ( 0.000 -0.327 -13.180) 13.184 22.114 ( 0.000 -0.691 3.765) 3.828 22.238 ( -0.000 3.165 -8.636) 9.198 23.586 ( -0.000 0.566 7.660) 7.681 23.693 ( -0.000 0.914 -3.270) 3.396 23.798 ( -0.000 0.206 0.115) 0.236 23.801 ( -0.000 0.243 -0.187) 0.307 24.243 ( -0.000 1.806 0.545) 1.887 24.253 ( -0.000 1.573 -0.384) 1.620 24.350 ( -0.000 6.905 2.958) 7.512 24.394 ( -0.000 7.294 -1.214) 7.394 24.496 ( -0.000 2.893 8.476) 8.956 24.653 ( -0.000 6.303 -7.024) 9.437 25.857 ( 0.000 -29.817 22.109) 37.120 26.174 ( 0.000 -24.978 -11.124) 27.343 ======================= Grid point 165 (55/63) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 19.373 0.000 15.604) 24.875 1.863 ( 15.460 0.000 21.370) 26.376 2.114 ( 6.794 0.000 -22.732) 23.725 2.257 ( 9.478 0.000 -15.675) 18.318 3.094 ( 3.723 0.000 26.158) 26.422 3.169 ( -7.004 -0.000 1.107) 7.091 3.220 ( -3.287 -0.000 -1.170) 3.489 3.333 ( -9.652 -0.000 1.107) 9.716 3.349 ( -5.809 -0.000 2.277) 6.239 3.434 ( -1.589 -0.000 -6.166) 6.368 3.611 ( -4.681 -0.000 8.502) 9.706 3.689 ( -2.087 -0.000 8.241) 8.501 3.701 ( -11.150 -0.000 -2.109) 11.348 4.064 ( 4.806 0.000 -17.459) 18.109 4.239 ( 0.015 0.000 -7.458) 7.458 4.242 ( -2.009 -0.000 -3.233) 3.806 4.405 ( -3.360 -0.000 -1.584) 3.715 4.421 ( 1.885 0.000 -1.629) 2.491 4.634 ( 3.643 0.000 0.715) 3.713 4.681 ( 7.772 0.000 -4.242) 8.854 5.202 ( 10.675 0.000 2.197) 10.898 5.260 ( -3.022 -0.000 -1.953) 3.598 5.548 ( -2.559 -0.000 2.728) 3.740 5.602 ( 3.614 0.000 -3.916) 5.329 5.764 ( 9.843 0.000 -2.746) 10.219 5.780 ( 6.300 0.000 -3.553) 7.233 6.020 ( 6.328 0.000 15.728) 16.953 6.273 ( 0.667 0.000 13.358) 13.375 6.348 ( 3.252 0.000 -15.841) 16.172 6.449 ( -7.069 -0.000 -0.113) 7.070 6.892 ( -17.292 -0.000 2.828) 17.522 6.931 ( -7.723 -0.000 -5.602) 9.541 7.042 ( -8.833 -0.000 12.227) 15.084 7.208 ( -11.678 -0.000 -3.958) 12.331 7.322 ( -8.619 -0.000 2.148) 8.883 7.342 ( -9.326 -0.000 1.877) 9.513 7.485 ( -4.951 -0.000 -1.090) 5.070 7.542 ( -6.731 -0.000 -5.189) 8.499 7.752 ( -2.168 -0.000 -0.342) 2.195 7.757 ( 0.402 0.000 -3.326) 3.350 8.536 ( -9.847 -0.000 3.889) 10.587 8.679 ( -0.672 -0.000 -7.083) 7.114 8.916 ( 13.040 0.000 4.460) 13.781 9.055 ( 19.641 0.000 -7.030) 20.861 9.377 ( 8.946 0.000 19.504) 21.458 9.539 ( -0.629 -0.000 18.721) 18.732 9.635 ( 7.883 0.000 -8.071) 11.282 9.903 ( -1.819 -0.000 -15.284) 15.392 10.019 ( 12.215 0.000 10.223) 15.929 10.225 ( 4.052 0.000 -7.698) 8.699 10.720 ( 5.109 0.000 10.939) 12.074 10.816 ( 6.939 0.000 -8.480) 10.957 10.908 ( 9.382 0.000 0.826) 9.418 11.125 ( 25.224 0.000 6.379) 26.018 11.196 ( 5.060 0.000 -12.236) 13.241 11.291 ( 18.742 0.000 -19.165) 26.806 11.698 ( -11.998 -0.000 0.202) 12.000 11.730 ( -10.705 -0.000 -4.418) 11.581 12.478 ( -12.236 -0.000 -0.487) 12.245 12.484 ( -10.696 -0.000 -1.715) 10.833 13.367 ( -14.008 -0.000 18.229) 22.989 13.549 ( -3.779 -0.000 27.684) 27.941 13.691 ( -19.112 -0.000 -14.446) 23.957 14.075 ( -7.183 -0.000 -24.270) 25.310 14.540 ( 7.762 0.000 1.574) 7.920 14.572 ( 7.866 0.000 -1.560) 8.019 15.179 ( 4.295 0.000 21.422) 21.848 15.533 ( 10.421 0.000 -14.881) 18.168 18.043 ( -3.419 -0.000 8.818) 9.457 18.140 ( 3.509 0.000 3.674) 5.080 18.195 ( 2.505 0.000 -3.545) 4.340 18.269 ( 1.179 0.000 -12.279) 12.335 20.280 ( 0.216 0.000 9.862) 9.864 20.473 ( 0.089 0.000 -9.633) 9.633 20.867 ( -6.094 -0.000 10.907) 12.494 21.158 ( -3.139 -0.000 -19.052) 19.309 22.236 ( 3.160 0.000 7.567) 8.201 22.421 ( 5.872 0.000 -10.907) 12.388 23.617 ( 1.683 0.000 8.820) 8.979 23.753 ( 3.884 0.000 -5.141) 6.443 23.802 ( 0.232 0.000 0.016) 0.232 23.803 ( 0.226 0.000 -0.049) 0.232 24.196 ( 1.460 0.000 0.708) 1.623 24.206 ( 1.334 0.000 -0.289) 1.365 24.420 ( 6.339 0.000 1.312) 6.473 24.429 ( 5.342 0.000 1.253) 5.487 24.483 ( 0.957 0.000 4.431) 4.533 24.559 ( 1.681 0.000 -3.269) 3.676 25.736 ( -26.108 -0.000 22.028) 34.159 26.071 ( -23.626 -0.000 -12.379) 26.673 ======================= Grid point 166 (56/63) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 20.425 -5.164 8.289) 22.640 2.052 ( 17.765 -3.660 15.859) 24.094 2.225 ( 9.730 -2.686 -15.584) 18.567 2.384 ( 10.405 -2.522 -14.026) 17.645 3.044 ( -9.832 4.114 3.885) 11.344 3.084 ( -8.454 1.878 9.377) 12.764 3.132 ( -6.788 2.486 -5.117) 8.856 3.184 ( -8.715 5.118 -1.144) 10.171 3.252 ( -7.840 2.488 4.568) 9.409 3.338 ( -5.748 5.569 -2.800) 8.479 3.494 ( -3.717 6.155 3.461) 7.980 3.566 ( -4.979 -1.945 -2.911) 6.087 3.856 ( 10.287 -6.381 14.528) 18.910 4.051 ( 0.487 2.629 -3.500) 4.404 4.145 ( 0.113 4.108 1.971) 4.558 4.271 ( 4.427 0.973 -7.590) 8.841 4.464 ( -1.392 -3.577 0.294) 3.850 4.515 ( -0.208 -7.397 -4.305) 8.561 4.678 ( 3.006 -3.221 4.694) 6.438 4.825 ( 5.720 -6.084 -10.662) 13.543 5.224 ( -0.831 -0.984 7.121) 7.236 5.378 ( 5.087 -6.300 -6.915) 10.649 5.552 ( -5.836 -5.468 0.352) 8.005 5.622 ( 2.184 1.697 -5.789) 6.416 5.829 ( 5.938 0.756 2.291) 6.410 5.878 ( 8.078 -0.097 -1.027) 8.143 6.101 ( 4.133 -0.926 12.673) 13.362 6.187 ( -1.532 4.870 6.426) 8.208 6.362 ( -5.028 -1.382 4.699) 7.019 6.442 ( -1.906 -3.582 -7.835) 8.823 6.657 ( -11.598 3.542 6.254) 13.644 6.802 ( -11.315 4.063 -6.852) 13.838 6.974 ( -4.745 -0.334 5.397) 7.194 7.096 ( -3.664 2.059 -8.064) 9.094 7.239 ( -7.331 0.904 2.718) 7.871 7.263 ( -7.003 -0.161 2.785) 7.538 7.407 ( -6.969 4.742 -2.219) 8.717 7.448 ( -3.980 -1.221 -5.443) 6.853 7.761 ( 5.885 0.426 1.106) 6.003 7.869 ( 3.785 -4.851 -8.386) 10.401 8.406 ( -6.816 3.198 9.228) 11.910 8.638 ( -0.906 2.981 -11.997) 12.395 9.122 ( 10.150 -8.548 11.265) 17.407 9.321 ( 16.769 -4.935 -3.896) 17.909 9.425 ( 8.314 2.083 11.760) 14.552 9.534 ( -1.037 -0.255 16.519) 16.553 9.654 ( 7.596 4.442 -6.691) 11.055 9.902 ( -2.859 -2.612 -13.772) 14.306 10.155 ( 13.086 0.897 2.635) 13.379 10.235 ( 9.059 5.630 -4.438) 11.553 10.727 ( 3.818 2.526 5.545) 7.190 10.850 ( 7.275 4.402 -8.396) 11.950 11.024 ( 4.777 -5.537 8.289) 11.053 11.280 ( 3.272 -4.297 -9.973) 11.341 11.422 ( 8.716 -4.635 3.089) 10.344 11.527 ( 2.038 -6.690 -7.503) 10.257 11.564 ( -5.619 -0.819 0.144) 5.680 11.595 ( -9.285 1.871 -5.678) 11.043 12.318 ( -10.059 3.789 0.035) 10.748 12.364 ( -6.740 1.798 -6.069) 9.246 13.221 ( -10.677 1.074 14.141) 17.752 13.407 ( -5.722 6.545 8.020) 11.828 13.587 ( -12.435 -3.829 2.861) 13.322 13.938 ( -6.451 6.631 -18.783) 20.937 14.650 ( 7.625 -3.000 1.633) 8.355 14.683 ( 7.614 -3.009 -1.590) 8.340 15.239 ( 3.293 -1.699 22.017) 22.326 15.620 ( 7.850 1.063 -16.261) 18.088 18.027 ( -3.822 -2.246 10.108) 11.037 18.174 ( 2.575 -0.096 3.843) 4.627 18.233 ( -0.877 -3.093 -6.141) 6.932 18.266 ( 1.250 1.916 -8.666) 8.963 20.277 ( -0.155 1.133 7.763) 7.846 20.444 ( 1.624 2.853 -9.044) 9.622 20.827 ( -4.945 -1.693 11.827) 12.931 21.146 ( -2.798 -1.906 -20.567) 20.843 22.251 ( 2.252 1.593 7.712) 8.190 22.447 ( 4.366 2.774 -11.793) 12.878 23.633 ( 1.887 0.264 10.642) 10.811 23.793 ( 3.900 0.323 -5.669) 6.889 23.803 ( 0.167 0.045 0.176) 0.247 23.807 ( 0.206 -0.118 -0.190) 0.304 24.244 ( 1.548 -3.200 0.823) 3.648 24.258 ( 1.737 -3.870 -0.617) 4.287 24.461 ( 3.279 0.953 3.344) 4.779 24.468 ( 3.290 0.839 2.597) 4.274 24.520 ( 1.651 -2.728 4.635) 5.626 24.621 ( 2.183 -4.554 -4.825) 6.984 25.420 ( -18.419 7.965 20.004) 28.335 25.761 ( -19.940 8.029 -13.863) 25.579 ======================= Grid point 167 (57/63) ======================= q-point: ( 0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 12.734 -4.340 10.473) 17.049 2.368 ( 16.427 -6.843 3.135) 18.070 2.388 ( 9.100 -3.984 -7.521) 12.460 2.544 ( 9.477 -3.221 -11.468) 15.221 2.839 ( -7.774 5.375 2.862) 9.875 2.893 ( -7.226 7.691 -0.808) 10.584 3.004 ( -7.019 4.167 0.713) 8.194 3.050 ( -7.534 0.837 -2.383) 7.946 3.134 ( -6.425 -0.395 0.960) 6.508 3.180 ( -5.971 3.589 -3.184) 7.659 3.422 ( -1.523 0.810 6.184) 6.421 3.554 ( -1.346 0.746 -6.754) 6.927 4.025 ( 4.250 -1.323 4.433) 6.283 4.047 ( 0.382 -3.142 3.482) 4.705 4.104 ( 1.790 1.679 7.310) 7.711 4.278 ( 4.606 4.250 -5.941) 8.635 4.538 ( 0.446 -7.066 6.510) 9.618 4.586 ( -0.374 -0.003 3.133) 3.155 4.788 ( 0.682 -4.901 5.444) 7.356 4.933 ( 2.813 0.177 -7.644) 8.147 5.288 ( 3.671 -5.632 3.896) 7.770 5.481 ( 0.813 1.639 -12.261) 12.397 5.564 ( -0.682 -1.558 -0.629) 1.813 5.641 ( -4.514 -5.978 -6.962) 10.227 5.852 ( 3.768 1.859 8.030) 9.063 5.941 ( 5.909 0.886 2.145) 6.348 6.050 ( -2.847 3.342 8.799) 9.833 6.134 ( -3.516 0.376 3.671) 5.097 6.407 ( -3.122 1.250 -1.073) 3.530 6.428 ( -0.086 -3.033 -2.508) 3.936 6.604 ( -9.328 -4.416 3.271) 10.826 6.643 ( -2.482 -1.508 -1.598) 3.315 6.963 ( -2.370 -1.329 1.523) 3.115 7.057 ( -1.526 0.258 -3.121) 3.483 7.144 ( -5.312 2.544 -1.556) 6.091 7.195 ( -3.598 0.032 -4.636) 5.869 7.300 ( -5.011 -0.697 4.911) 7.050 7.463 ( -1.142 -3.494 -9.373) 10.068 7.795 ( 5.539 3.707 3.254) 7.417 7.909 ( 2.080 4.774 -5.938) 7.898 8.317 ( -4.146 0.396 11.290) 12.034 8.582 ( 0.587 2.729 -13.597) 13.881 9.340 ( 9.927 8.976 14.864) 20.001 9.354 ( 4.548 -4.497 11.361) 13.037 9.528 ( -0.241 -0.531 7.712) 7.734 9.620 ( 5.285 -5.516 -7.940) 11.018 9.720 ( 9.642 -3.704 -1.778) 10.481 9.959 ( -0.666 -7.371 -11.210) 13.433 10.216 ( 13.060 7.660 -0.393) 15.146 10.248 ( 12.795 5.459 -5.201) 14.851 10.709 ( -2.631 0.445 3.402) 4.323 10.819 ( 1.376 3.397 -9.187) 9.891 11.196 ( 2.721 -8.093 10.066) 13.200 11.339 ( -6.774 1.879 0.897) 7.086 11.368 ( -2.680 0.159 -0.695) 2.773 11.443 ( -5.832 0.259 -9.483) 11.136 11.613 ( -4.844 -0.872 1.443) 5.129 11.626 ( -0.343 -1.179 0.919) 1.533 12.193 ( -4.598 0.509 1.458) 4.850 12.312 ( -2.998 -0.899 -11.853) 12.259 13.151 ( -0.928 -0.403 11.612) 11.656 13.290 ( 0.790 2.834 5.695) 6.410 13.533 ( -10.160 -3.463 0.126) 10.735 13.739 ( -6.804 7.046 -11.497) 15.103 14.779 ( 5.213 -3.168 1.526) 6.288 14.809 ( 5.148 -2.908 -1.479) 6.094 15.291 ( 1.497 -1.071 19.413) 19.500 15.649 ( 4.900 3.148 -16.015) 17.041 18.039 ( -1.007 -1.962 9.667) 9.916 18.191 ( -0.689 -0.452 5.186) 5.251 18.228 ( 0.893 2.036 -8.191) 8.487 18.286 ( -1.271 -2.974 -4.738) 5.737 20.222 ( -0.011 4.374 9.258) 10.239 20.437 ( 1.874 0.247 -12.120) 12.267 20.821 ( -3.424 -2.534 13.172) 13.843 21.161 ( -2.463 -2.679 -21.008) 21.321 22.228 ( 0.969 2.667 7.016) 7.568 22.426 ( 2.741 3.340 -12.614) 13.333 23.643 ( 1.278 0.576 11.648) 11.732 23.805 ( 0.111 -0.026 0.275) 0.298 23.810 ( 0.368 0.116 -0.654) 0.759 23.811 ( 2.421 1.401 -4.932) 5.670 24.327 ( 2.382 -3.366 1.616) 4.429 24.355 ( 2.384 -3.763 -1.005) 4.567 24.457 ( -0.212 1.042 4.824) 4.940 24.471 ( 1.460 1.632 2.475) 3.305 24.611 ( 1.548 -6.133 7.209) 9.590 24.763 ( 2.900 -8.356 -7.059) 11.316 25.116 ( -10.586 8.885 15.587) 20.832 25.423 ( -12.625 10.343 -13.786) 21.364 ======================= Grid point 168 (58/63) ======================= q-point: ( 0.62 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 2.599 1.480 6.783) 7.413 2.472 ( 2.867 -0.572 -2.205) 3.662 2.531 ( 5.213 0.968 -1.836) 5.611 2.598 ( 3.100 9.174 -5.790) 11.283 2.708 ( -6.208 3.069 3.547) 7.780 2.792 ( -0.960 -3.708 -4.069) 5.588 2.980 ( 4.821 -5.505 3.191) 7.983 3.044 ( 2.136 -4.777 -2.669) 5.874 3.124 ( -3.470 -3.541 -0.976) 5.053 3.143 ( -5.460 -6.220 -1.495) 8.410 3.382 ( -1.449 2.832 4.771) 5.734 3.499 ( -0.364 3.704 -6.304) 7.321 4.052 ( 0.032 -0.745 6.225) 6.269 4.121 ( 1.979 -0.734 6.059) 6.417 4.131 ( 0.317 -5.472 -0.546) 5.508 4.229 ( 2.231 4.293 -3.704) 6.094 4.482 ( -4.176 7.219 13.903) 16.213 4.683 ( 3.776 -3.551 -3.467) 6.236 4.831 ( -1.455 -0.306 3.204) 3.532 4.920 ( 2.988 3.468 -3.366) 5.682 5.388 ( 0.383 4.448 2.358) 5.049 5.453 ( 5.526 -5.008 0.969) 7.520 5.608 ( -3.242 -1.643 -7.674) 8.491 5.692 ( -1.128 -3.615 -10.021) 10.713 5.859 ( 2.718 1.336 11.165) 11.569 5.914 ( -2.141 3.299 11.866) 12.500 6.031 ( 1.432 0.069 -2.499) 2.881 6.084 ( -3.923 0.554 -1.018) 4.090 6.340 ( -2.037 1.734 -0.137) 2.679 6.372 ( -2.636 2.790 -4.918) 6.239 6.713 ( -2.373 -11.786 2.736) 12.329 6.766 ( -0.686 -11.510 -1.662) 11.649 6.910 ( -3.004 3.129 2.362) 4.939 7.036 ( -2.886 3.829 -7.835) 9.186 7.085 ( -0.842 -4.552 4.418) 6.399 7.214 ( 0.170 -2.035 -8.035) 8.291 7.326 ( -1.181 -5.117 8.855) 10.295 7.533 ( 1.334 -3.139 -9.959) 10.527 7.691 ( 0.696 12.158 4.055) 12.835 7.783 ( -0.386 8.388 -5.652) 10.122 8.305 ( -1.679 -2.568 11.056) 11.474 8.555 ( 1.238 1.392 -12.382) 12.521 9.266 ( 5.471 6.905 11.109) 14.178 9.357 ( 1.014 4.603 2.673) 5.419 9.589 ( 1.069 -3.835 8.997) 9.838 9.724 ( 2.292 -2.569 -4.538) 5.696 9.846 ( 2.168 -1.768 5.725) 6.372 10.101 ( 7.368 -0.070 -10.831) 13.100 10.163 ( 8.065 11.507 1.730) 14.157 10.251 ( 5.841 5.601 -8.370) 11.643 10.666 ( -6.264 -1.775 4.243) 7.771 10.807 ( -0.824 -3.041 -11.858) 12.269 11.219 ( -6.387 0.175 1.998) 6.694 11.276 ( -4.837 0.898 -3.130) 5.831 11.395 ( 2.731 -6.834 3.893) 8.326 11.449 ( 0.916 -0.873 -1.279) 1.799 11.533 ( -5.093 2.542 4.211) 7.081 11.600 ( -2.575 0.413 -2.144) 3.376 12.206 ( -1.246 -4.329 2.004) 4.930 12.307 ( -1.650 -1.140 -8.979) 9.201 13.196 ( 7.576 -0.168 11.558) 13.821 13.322 ( 1.015 -3.953 8.342) 9.287 13.464 ( -3.698 5.164 -2.347) 6.771 13.650 ( -7.351 -8.959 -12.631) 17.142 14.841 ( 1.648 0.780 1.163) 2.163 14.863 ( 1.656 1.236 -0.999) 2.296 15.307 ( 0.145 0.019 15.342) 15.343 15.607 ( 2.088 5.483 -14.046) 15.222 18.083 ( 2.947 -1.854 8.037) 8.759 18.178 ( -1.590 -0.110 5.178) 5.418 18.230 ( 2.308 -0.109 -3.908) 4.540 18.303 ( -3.945 -1.733 -5.592) 7.060 20.146 ( 0.207 3.766 12.736) 13.282 20.452 ( 0.720 -0.053 -17.716) 17.731 20.849 ( -1.444 -3.351 13.713) 14.190 21.188 ( -1.527 -2.623 -20.230) 20.456 22.183 ( 0.083 2.746 7.282) 7.783 22.392 ( 1.215 2.717 -13.471) 13.796 23.637 ( 0.399 0.992 11.067) 11.119 23.791 ( 0.938 2.566 -4.279) 5.077 23.806 ( 0.038 -0.047 0.198) 0.207 23.811 ( 0.048 0.116 -0.223) 0.256 24.387 ( 1.360 2.668 3.178) 4.367 24.389 ( 3.304 1.255 1.477) 3.830 24.447 ( -1.906 -0.602 3.284) 3.844 24.473 ( -0.251 -3.493 0.563) 3.547 24.771 ( 3.561 -6.811 11.213) 13.595 24.867 ( -3.775 4.036 10.810) 12.141 25.009 ( 0.705 -11.892 -8.549) 14.663 25.151 ( -6.173 8.870 -12.653) 16.639 ======================= Grid point 170 (59/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.000 10.890 10.604) 15.200 2.352 ( -0.000 17.368 3.131) 17.648 2.426 ( -0.000 6.247 -7.842) 10.026 2.508 ( -0.000 7.116 -12.666) 14.528 2.727 ( 0.000 -8.783 7.640) 11.641 2.880 ( 0.000 -7.175 -6.996) 10.021 3.170 ( 0.000 -6.701 0.412) 6.714 3.176 ( 0.000 -5.656 8.175) 9.941 3.206 ( 0.000 -6.683 -2.997) 7.325 3.257 ( 0.000 -10.101 3.897) 10.827 3.342 ( 0.000 -4.334 -1.762) 4.679 3.442 ( -0.000 2.663 -6.942) 7.435 4.045 ( -0.000 5.420 10.547) 11.859 4.146 ( 0.000 -0.110 2.169) 2.172 4.147 ( -0.000 4.487 1.863) 4.858 4.177 ( -0.000 2.612 -1.213) 2.879 4.389 ( 0.000 -3.186 13.618) 13.986 4.709 ( -0.000 1.803 -16.305) 16.404 4.803 ( -0.000 1.743 2.287) 2.875 4.862 ( -0.000 4.650 -2.487) 5.273 5.363 ( 0.000 -0.474 6.058) 6.077 5.549 ( 0.000 -0.958 7.375) 7.437 5.555 ( -0.000 3.518 -12.151) 12.650 5.716 ( -0.000 1.188 -6.182) 6.295 5.832 ( -0.000 3.436 5.903) 6.830 5.854 ( -0.000 1.936 16.960) 17.071 5.950 ( -0.000 7.237 -3.014) 7.839 6.107 ( 0.000 -4.026 -6.509) 7.653 6.342 ( 0.000 -3.703 0.504) 3.737 6.367 ( 0.000 -4.087 -2.919) 5.022 6.854 ( -0.000 0.560 2.489) 2.551 6.909 ( 0.000 -9.563 3.028) 10.031 6.969 ( -0.000 1.503 -7.831) 7.974 6.975 ( 0.000 -9.252 -2.205) 9.511 7.151 ( 0.000 -1.670 5.361) 5.615 7.241 ( 0.000 -2.346 -4.482) 5.059 7.408 ( 0.000 -3.477 8.033) 8.753 7.485 ( -0.000 6.163 3.920) 7.304 7.582 ( 0.000 -1.013 -7.191) 7.263 7.628 ( -0.000 6.551 -10.781) 12.616 8.374 ( 0.000 -5.648 7.092) 9.066 8.562 ( 0.000 -1.535 -9.493) 9.617 9.201 ( -0.000 4.349 10.563) 11.424 9.274 ( -0.000 5.502 1.249) 5.642 9.643 ( 0.000 -0.910 9.744) 9.786 9.754 ( -0.000 1.348 -2.888) 3.187 9.791 ( -0.000 8.278 8.934) 12.179 9.987 ( -0.000 10.926 4.998) 12.014 10.079 ( -0.000 8.593 -14.390) 16.760 10.138 ( -0.000 5.764 -8.538) 10.301 10.656 ( -0.000 0.793 5.250) 5.310 10.871 ( 0.000 -1.775 -17.660) 17.749 11.154 ( -0.000 2.993 3.974) 4.975 11.264 ( 0.000 -0.432 -6.238) 6.253 11.448 ( 0.000 -0.872 7.280) 7.332 11.519 ( 0.000 -4.560 3.804) 5.938 11.554 ( 0.000 -7.476 0.126) 7.477 11.589 ( 0.000 -1.297 -7.110) 7.228 12.279 ( 0.000 -3.337 0.989) 3.480 12.320 ( 0.000 -1.709 -4.229) 4.562 13.277 ( 0.000 -2.160 5.789) 6.179 13.367 ( 0.000 -0.997 -1.913) 2.157 13.438 ( 0.000 -8.370 20.454) 22.101 13.833 ( 0.000 -12.764 -18.649) 22.599 14.781 ( -0.000 6.227 1.024) 6.311 14.803 ( -0.000 5.948 -1.008) 6.033 15.297 ( -0.000 1.088 10.448) 10.504 15.505 ( -0.000 6.869 -10.085) 12.202 18.143 ( 0.000 -1.075 6.933) 7.016 18.176 ( 0.000 -1.376 6.386) 6.533 18.271 ( 0.000 -1.623 -3.042) 3.448 18.272 ( -0.000 0.971 -5.792) 5.873 20.110 ( -0.000 0.034 12.692) 12.692 20.446 ( -0.000 1.196 -21.352) 21.386 20.905 ( 0.000 -3.544 13.400) 13.861 21.223 ( 0.000 -2.089 -18.231) 18.351 22.140 ( -0.000 1.973 7.677) 7.927 22.351 ( -0.000 2.702 -13.430) 13.699 23.619 ( -0.000 1.098 9.668) 9.730 23.749 ( -0.000 2.389 -3.305) 4.078 23.807 ( -0.000 0.101 0.055) 0.115 23.808 ( -0.000 0.205 -0.071) 0.217 24.335 ( -0.000 3.168 2.462) 4.013 24.347 ( -0.000 3.683 0.373) 3.702 24.465 ( 0.000 -0.803 4.873) 4.939 24.517 ( 0.000 -0.753 -0.524) 0.918 24.684 ( -0.000 7.608 13.036) 15.094 24.942 ( -0.000 9.539 -11.742) 15.129 25.040 ( 0.000 -16.035 14.798) 21.820 25.324 ( 0.000 -20.022 -12.474) 23.590 ======================= Grid point 175 (60/63) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 21.899 0.000 0.647) 21.909 2.172 ( 13.898 0.000 6.183) 15.211 2.353 ( 15.261 0.000 -3.434) 15.642 2.474 ( 11.251 0.000 -7.589) 13.572 2.974 ( -11.942 -0.000 4.839) 12.885 2.987 ( -8.790 -0.000 10.977) 14.062 3.113 ( -7.704 -0.000 -5.915) 9.713 3.129 ( -7.163 -0.000 -2.409) 7.557 3.186 ( -8.504 -0.000 8.550) 12.059 3.368 ( -8.038 -0.000 -6.585) 10.390 3.445 ( -5.917 -0.000 4.695) 7.553 3.513 ( -4.777 -0.000 -2.137) 5.233 3.924 ( 15.513 0.000 14.053) 20.932 4.081 ( -1.963 -0.000 1.548) 2.500 4.223 ( 0.240 0.000 -3.339) 3.347 4.313 ( 5.592 0.000 -10.379) 11.789 4.378 ( 0.056 0.000 1.911) 1.912 4.452 ( -0.634 -0.000 -0.224) 0.672 4.675 ( -0.427 -0.000 1.262) 1.332 4.788 ( 1.661 0.000 -11.660) 11.777 5.193 ( -1.424 -0.000 5.065) 5.262 5.374 ( 5.317 0.000 -11.863) 13.000 5.455 ( -3.344 -0.000 8.655) 9.279 5.660 ( 1.426 0.000 -10.168) 10.268 5.894 ( 5.411 0.000 4.326) 6.928 5.951 ( 7.761 0.000 -0.141) 7.762 6.148 ( 4.725 0.000 10.794) 11.783 6.236 ( -5.123 -0.000 10.589) 11.763 6.243 ( -11.336 -0.000 7.886) 13.810 6.348 ( -3.887 -0.000 -7.183) 8.167 6.593 ( -6.653 -0.000 6.350) 9.197 6.764 ( -5.009 -0.000 -10.219) 11.381 6.934 ( -3.134 -0.000 4.350) 5.362 7.101 ( 1.170 0.000 -13.500) 13.550 7.156 ( -9.586 -0.000 5.681) 11.142 7.219 ( -2.797 -0.000 6.135) 6.743 7.393 ( -3.572 -0.000 -4.863) 6.034 7.402 ( -6.673 -0.000 -11.615) 13.395 7.791 ( 4.561 0.000 1.781) 4.897 7.883 ( 8.231 0.000 -8.841) 12.080 8.367 ( -6.829 -0.000 12.541) 14.280 8.639 ( -2.980 -0.000 -12.997) 13.334 9.136 ( 7.923 0.000 15.895) 17.760 9.408 ( 14.190 0.000 -11.297) 18.137 9.460 ( -1.290 -0.000 20.279) 20.320 9.617 ( 7.810 0.000 8.394) 11.466 9.750 ( 3.158 0.000 -6.603) 7.319 9.833 ( -5.117 -0.000 -13.843) 14.758 10.293 ( 13.316 0.000 13.262) 18.793 10.420 ( 14.542 0.000 -0.606) 14.555 10.790 ( 0.400 0.000 8.645) 8.654 10.956 ( 4.673 0.000 -7.524) 8.857 11.041 ( 4.795 0.000 -0.808) 4.863 11.243 ( -0.522 -0.000 -16.249) 16.257 11.446 ( -6.169 -0.000 0.110) 6.170 11.453 ( -4.615 -0.000 -4.081) 6.161 11.538 ( -2.518 -0.000 -0.356) 2.543 11.557 ( 10.425 0.000 -1.294) 10.505 12.251 ( -8.811 -0.000 0.387) 8.820 12.314 ( -5.320 -0.000 -7.747) 9.398 13.112 ( -9.836 -0.000 12.507) 15.911 13.361 ( -12.080 -0.000 -12.115) 17.109 13.488 ( -1.970 -0.000 23.646) 23.728 13.938 ( -5.464 -0.000 -20.892) 21.595 14.699 ( 6.672 0.000 1.646) 6.872 14.730 ( 6.527 0.000 -1.433) 6.682 15.259 ( 3.075 0.000 26.501) 26.678 15.699 ( 5.537 0.000 -18.192) 19.016 17.954 ( -4.318 -0.000 11.063) 11.876 18.179 ( -2.927 -0.000 -10.498) 10.899 18.209 ( 2.811 0.000 4.970) 5.710 18.311 ( 2.632 0.000 -5.646) 6.230 20.288 ( 0.516 0.000 9.137) 9.152 20.486 ( 0.853 0.000 -10.750) 10.784 20.764 ( -3.641 -0.000 12.644) 13.158 21.104 ( -1.971 -0.000 -21.960) 22.048 22.289 ( 1.872 0.000 9.639) 9.819 22.511 ( 2.876 0.000 -12.500) 12.827 23.656 ( 1.873 0.000 11.902) 12.049 23.806 ( 0.138 0.000 0.007) 0.139 23.807 ( 0.123 0.000 -0.028) 0.126 23.838 ( 3.798 0.000 -6.606) 7.620 24.224 ( 1.145 0.000 0.488) 1.244 24.233 ( 1.167 0.000 -0.426) 1.242 24.492 ( 1.035 0.000 5.778) 5.870 24.514 ( 1.749 0.000 4.519) 4.845 24.519 ( 3.080 0.000 1.207) 3.308 24.602 ( 2.348 0.000 -4.140) 4.760 25.316 ( -14.127 -0.000 16.926) 22.047 25.634 ( -17.065 -0.000 -13.850) 21.978 ======================= Grid point 176 (61/63) ======================= q-point: ( 0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 11.147 -1.291 4.604) 12.129 2.396 ( 10.133 -3.596 -5.255) 11.968 2.501 ( 15.583 -0.644 3.523) 15.989 2.597 ( 8.551 -1.255 -4.501) 9.745 2.806 ( -13.191 3.645 7.416) 15.566 2.914 ( -3.587 0.574 9.610) 10.273 3.000 ( -5.281 3.180 -9.572) 11.385 3.051 ( -1.607 3.629 -3.463) 5.267 3.075 ( -7.900 2.479 4.287) 9.324 3.185 ( -9.092 5.533 -3.896) 11.334 3.421 ( -2.256 0.579 3.137) 3.907 3.508 ( -1.113 -3.103 -4.242) 5.372 4.030 ( 0.186 1.091 4.259) 4.400 4.082 ( 4.657 1.650 0.009) 4.940 4.187 ( 5.403 3.187 11.129) 12.775 4.347 ( 0.381 -3.924 5.443) 6.721 4.433 ( -0.966 1.568 -3.973) 4.379 4.511 ( 0.333 -8.221 -6.174) 10.287 4.685 ( -2.184 -4.971 5.653) 7.839 4.897 ( 1.537 -7.108 -15.010) 16.679 5.212 ( 0.166 -3.398 8.962) 9.587 5.436 ( 1.010 -2.822 -3.302) 4.459 5.483 ( -0.680 -4.830 -4.866) 6.890 5.641 ( -0.219 3.187 -9.905) 10.408 5.934 ( 5.401 2.100 8.019) 9.894 6.019 ( 4.222 1.782 2.313) 5.134 6.069 ( -5.577 3.597 8.060) 10.440 6.123 ( -3.461 1.704 3.723) 5.361 6.298 ( -0.368 -7.550 6.114) 9.722 6.349 ( -4.949 -3.657 -2.584) 6.674 6.531 ( -2.397 2.225 4.528) 5.586 6.686 ( -0.294 4.801 -10.099) 11.186 6.930 ( 1.595 -1.056 5.312) 5.646 7.055 ( -6.467 0.640 3.646) 7.451 7.125 ( 0.277 0.552 -8.117) 8.140 7.186 ( -0.222 0.841 3.503) 3.610 7.276 ( -5.181 4.150 -7.739) 10.196 7.382 ( -2.239 -2.245 -8.928) 9.474 7.878 ( 4.036 -1.340 -0.288) 4.262 7.965 ( 3.942 -0.564 -7.978) 8.916 8.295 ( -3.616 1.117 15.215) 15.679 8.605 ( -1.552 0.577 -14.964) 15.055 9.275 ( 4.495 -7.424 21.182) 22.891 9.464 ( -1.605 -2.234 15.421) 15.664 9.585 ( 7.483 1.486 -4.644) 8.931 9.620 ( 7.177 1.515 0.124) 7.336 9.761 ( 1.981 -0.617 -5.683) 6.050 9.797 ( -6.224 -2.918 -11.797) 13.653 10.435 ( 12.189 -0.903 9.798) 15.665 10.511 ( 14.765 6.652 1.692) 16.283 10.724 ( -4.706 4.830 3.573) 7.632 10.900 ( -4.021 6.464 -12.389) 14.541 11.113 ( 3.518 -4.979 4.526) 7.593 11.315 ( 0.482 -5.037 -9.751) 10.986 11.336 ( -5.090 2.996 0.616) 5.939 11.384 ( -5.888 1.376 -5.093) 7.906 11.545 ( -0.860 -1.256 5.027) 5.252 11.643 ( 3.247 0.868 -3.854) 5.114 12.166 ( -4.122 1.225 1.392) 4.520 12.275 ( -2.173 -0.185 -11.616) 11.819 13.069 ( -3.743 -3.846 10.744) 12.010 13.292 ( -4.058 -2.841 -10.299) 11.429 13.440 ( -2.642 3.059 20.078) 20.481 13.830 ( -3.179 6.814 -17.407) 18.962 14.776 ( 3.636 -2.258 1.628) 4.579 14.807 ( 3.534 -2.330 -1.420) 4.465 15.291 ( 1.437 -0.699 25.719) 25.769 15.730 ( 2.744 1.423 -18.462) 18.719 17.953 ( -2.426 -3.629 11.274) 12.089 18.178 ( -2.094 -2.697 -10.727) 11.257 18.218 ( 1.303 1.453 5.156) 5.513 18.314 ( 1.579 1.961 -4.407) 5.075 20.278 ( 0.137 1.830 8.804) 8.993 20.474 ( 0.997 1.681 -10.719) 10.896 20.752 ( -2.051 -1.721 13.186) 13.455 21.103 ( -1.181 -1.576 -22.356) 22.443 22.283 ( 0.843 2.155 9.244) 9.529 22.506 ( 1.423 2.813 -12.926) 13.305 23.666 ( 1.047 0.593 12.992) 13.048 23.806 ( 0.055 0.055 0.218) 0.232 23.810 ( 0.069 -0.131 -0.210) 0.257 23.861 ( 2.108 0.997 -6.755) 7.146 24.270 ( 0.784 -3.810 0.733) 3.958 24.287 ( 0.841 -4.378 -0.980) 4.564 24.488 ( 0.126 1.442 6.849) 7.000 24.523 ( 1.613 1.584 1.903) 2.955 24.547 ( 0.679 -2.281 5.650) 6.131 24.667 ( 1.755 -4.770 -5.569) 7.540 25.156 ( -6.741 5.465 13.880) 16.370 25.447 ( -8.966 5.248 -13.603) 17.116 ======================= Grid point 177 (62/63) ======================= q-point: ( 0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -0.000 0.027 5.281) 5.281 2.473 ( 0.000 -1.362 -2.866) 3.173 2.594 ( -0.000 3.443 9.922) 10.502 2.678 ( 0.000 -2.138 -1.083) 2.397 2.710 ( 0.000 -3.942 -3.622) 5.354 2.819 ( -0.000 10.350 -9.790) 14.247 2.958 ( 0.000 -2.805 2.868) 4.012 2.986 ( 0.000 -0.398 2.816) 2.844 3.026 ( 0.000 -0.920 -2.854) 2.999 3.067 ( -0.000 0.934 -4.250) 4.351 3.402 ( -0.000 0.572 5.653) 5.682 3.538 ( -0.000 0.091 -7.435) 7.436 4.041 ( 0.000 -3.149 4.179) 5.232 4.061 ( -0.000 1.601 1.525) 2.211 4.146 ( -0.000 2.543 10.891) 11.184 4.331 ( -0.000 5.746 -6.192) 8.447 4.518 ( 0.000 -5.139 6.705) 8.448 4.610 ( 0.000 -4.487 0.627) 4.530 4.775 ( 0.000 -4.684 8.640) 9.828 4.970 ( 0.000 -0.002 -8.622) 8.622 5.342 ( 0.000 -9.599 6.420) 11.548 5.484 ( -0.000 1.579 -1.346) 2.075 5.559 ( -0.000 2.095 -7.461) 7.749 5.581 ( 0.000 -6.617 -14.368) 15.819 5.917 ( -0.000 2.993 11.605) 11.984 5.959 ( -0.000 2.977 10.747) 11.151 6.018 ( -0.000 0.237 1.916) 1.931 6.104 ( -0.000 1.139 -1.905) 2.220 6.362 ( 0.000 -0.138 -1.549) 1.555 6.403 ( -0.000 0.282 -5.274) 5.281 6.519 ( 0.000 -6.855 6.073) 9.158 6.631 ( 0.000 -1.074 -4.756) 4.875 6.971 ( -0.000 4.208 2.642) 4.968 6.996 ( 0.000 -3.823 6.556) 7.590 7.087 ( -0.000 2.730 -4.827) 5.545 7.196 ( -0.000 0.244 -10.485) 10.488 7.225 ( 0.000 -3.497 6.762) 7.612 7.447 ( 0.000 -5.769 -12.371) 13.650 7.866 ( -0.000 5.261 0.072) 5.262 7.931 ( -0.000 6.677 -4.557) 8.083 8.269 ( 0.000 -0.317 15.739) 15.742 8.586 ( -0.000 1.175 -15.205) 15.250 9.404 ( 0.000 -1.676 15.461) 15.551 9.447 ( -0.000 10.087 9.013) 13.527 9.514 ( 0.000 -4.338 10.652) 11.501 9.701 ( 0.000 -1.418 -8.542) 8.659 9.791 ( 0.000 -3.545 -3.032) 4.665 9.953 ( 0.000 -14.035 -10.486) 17.520 10.446 ( -0.000 11.375 3.838) 12.005 10.502 ( -0.000 12.299 -1.917) 12.448 10.577 ( 0.000 -3.217 5.328) 6.224 10.769 ( -0.000 2.162 -14.691) 14.849 11.223 ( -0.000 3.623 3.120) 4.781 11.264 ( 0.000 -8.459 7.332) 11.195 11.294 ( -0.000 3.693 -3.716) 5.239 11.425 ( 0.000 -3.454 -7.702) 8.441 11.546 ( -0.000 0.328 4.303) 4.315 11.609 ( -0.000 2.812 -1.445) 3.162 12.143 ( 0.000 -1.286 2.102) 2.464 12.275 ( 0.000 -1.090 -12.608) 12.655 13.158 ( 0.000 -6.913 11.079) 13.059 13.334 ( -0.000 5.392 17.820) 18.618 13.398 ( 0.000 -9.689 -12.388) 15.727 13.649 ( -0.000 10.708 -12.573) 16.515 14.837 ( 0.000 -2.099 1.515) 2.589 14.866 ( 0.000 -1.868 -1.391) 2.329 15.308 ( 0.000 -0.311 21.747) 21.749 15.700 ( -0.000 3.532 -17.234) 17.592 18.022 ( 0.000 -4.982 10.317) 11.457 18.190 ( -0.000 2.034 5.395) 5.766 18.223 ( 0.000 -3.203 -9.412) 9.942 18.283 ( -0.000 2.133 -3.789) 4.348 20.224 ( -0.000 4.191 10.423) 11.234 20.459 ( -0.000 0.571 -12.923) 12.936 20.783 ( 0.000 -2.924 13.590) 13.901 21.133 ( 0.000 -2.475 -21.757) 21.897 22.238 ( -0.000 3.116 8.048) 8.631 22.454 ( -0.000 3.473 -13.429) 13.871 23.657 ( -0.000 0.945 12.671) 12.706 23.806 ( 0.000 -0.035 0.307) 0.309 23.812 ( 0.000 -0.032 -0.300) 0.302 23.842 ( -0.000 2.240 -5.820) 6.236 24.356 ( 0.000 -4.632 1.549) 4.884 24.383 ( 0.000 -5.410 -0.847) 5.476 24.449 ( -0.000 2.770 6.172) 6.765 24.483 ( -0.000 3.382 0.744) 3.463 24.636 ( 0.000 -7.136 8.627) 11.196 24.804 ( 0.000 -9.510 -7.687) 12.228 24.994 ( -0.000 8.520 13.361) 15.847 25.280 ( -0.000 8.316 -13.489) 15.846 ======================= Grid point 187 (63/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.000 0.000 0.032) 0.032 2.426 ( 0.000 0.000 -6.838) 6.838 2.588 ( -0.000 -0.000 1.297) 1.297 2.647 ( -0.000 -0.000 -3.762) 3.762 2.766 ( 0.000 0.000 12.668) 12.668 2.887 ( 0.000 0.000 18.914) 18.914 3.012 ( 0.000 0.000 -9.206) 9.206 3.028 ( 0.000 0.000 5.458) 5.458 3.127 ( 0.000 0.000 -3.269) 3.269 3.164 ( 0.000 0.000 -7.155) 7.155 3.392 ( 0.000 0.000 5.067) 5.067 3.481 ( 0.000 0.000 -3.873) 3.873 4.054 ( 0.000 0.000 5.721) 5.721 4.124 ( 0.000 0.000 -1.019) 1.019 4.271 ( 0.000 0.000 -1.263) 1.263 4.376 ( 0.000 0.000 11.283) 11.283 4.377 ( 0.000 0.000 10.639) 10.639 4.385 ( 0.000 0.000 -11.757) 11.757 4.655 ( 0.000 0.000 -3.609) 3.609 4.790 ( 0.000 0.000 -18.046) 18.046 5.193 ( 0.000 0.000 8.008) 8.008 5.417 ( 0.000 0.000 11.715) 11.715 5.438 ( 0.000 0.000 -15.645) 15.645 5.668 ( 0.000 0.000 -11.890) 11.890 6.014 ( 0.000 0.000 9.180) 9.180 6.055 ( 0.000 0.000 6.969) 6.969 6.084 ( -0.000 -0.000 3.861) 3.861 6.098 ( 0.000 0.000 2.623) 2.623 6.214 ( 0.000 0.000 8.784) 8.784 6.279 ( 0.000 0.000 -1.763) 1.763 6.547 ( 0.000 0.000 3.088) 3.088 6.730 ( 0.000 0.000 -14.081) 14.081 6.951 ( 0.000 0.000 13.898) 13.898 6.990 ( 0.000 0.000 0.445) 0.445 7.141 ( 0.000 0.000 -12.525) 12.525 7.195 ( 0.000 0.000 9.368) 9.368 7.308 ( 0.000 0.000 -19.174) 19.174 7.356 ( 0.000 0.000 -5.156) 5.156 7.859 ( 0.000 0.000 3.597) 3.597 7.988 ( 0.000 0.000 -10.691) 10.691 8.283 ( 0.000 0.000 15.675) 15.675 8.596 ( 0.000 0.000 -14.930) 14.930 9.225 ( 0.000 0.000 25.559) 25.559 9.433 ( 0.000 0.000 12.952) 12.952 9.622 ( 0.000 0.000 -11.839) 11.839 9.686 ( 0.000 0.000 -12.422) 12.422 9.712 ( 0.000 0.000 4.563) 4.563 9.803 ( 0.000 0.000 -6.620) 6.620 10.476 ( 0.000 0.000 27.165) 27.165 10.665 ( 0.000 0.000 5.666) 5.666 10.749 ( 0.000 0.000 -2.967) 2.967 10.947 ( 0.000 0.000 -14.380) 14.380 11.096 ( 0.000 0.000 -1.520) 1.520 11.215 ( 0.000 0.000 -18.354) 18.354 11.361 ( 0.000 0.000 1.307) 1.307 11.368 ( 0.000 0.000 2.156) 2.156 11.538 ( 0.000 0.000 5.862) 5.862 11.682 ( 0.000 0.000 -6.972) 6.972 12.154 ( 0.000 0.000 1.397) 1.397 12.262 ( 0.000 0.000 -11.687) 11.687 13.004 ( 0.000 0.000 10.819) 10.819 13.231 ( 0.000 0.000 -11.491) 11.491 13.468 ( 0.000 0.000 21.745) 21.745 13.878 ( 0.000 0.000 -18.934) 18.934 14.774 ( 0.000 0.000 1.611) 1.611 14.803 ( 0.000 0.000 -1.240) 1.240 15.293 ( 0.000 0.000 27.888) 27.888 15.756 ( 0.000 0.000 -19.171) 19.171 17.904 ( 0.000 0.000 11.820) 11.820 18.140 ( 0.000 0.000 -11.362) 11.362 18.240 ( 0.000 0.000 5.429) 5.429 18.342 ( 0.000 0.000 -4.586) 4.586 20.295 ( 0.000 0.000 8.947) 8.947 20.496 ( 0.000 0.000 -11.195) 11.195 20.726 ( 0.000 0.000 13.418) 13.418 21.083 ( 0.000 0.000 -22.827) 22.827 22.309 ( 0.000 0.000 10.229) 10.229 22.540 ( 0.000 0.000 -12.854) 12.854 23.679 ( 0.000 0.000 13.464) 13.464 23.807 ( 0.000 0.000 0.037) 0.037 23.808 ( 0.000 0.000 -0.024) 0.024 23.882 ( 0.000 0.000 -7.285) 7.285 24.237 ( 0.000 0.000 0.409) 0.409 24.247 ( 0.000 0.000 -0.605) 0.605 24.502 ( 0.000 0.000 7.857) 7.857 24.529 ( 0.000 0.000 5.508) 5.508 24.549 ( 0.000 0.000 0.938) 0.938 24.633 ( 0.000 0.000 -4.792) 4.792 25.170 ( 0.000 0.000 12.351) 12.351 25.444 ( 0.000 0.000 -13.294) 13.294 =================== 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 3/28800 10.0 10778.783 10241.517 14474.704 0.000 0.000 0.000 3/28800 20.0 799.026 817.716 1145.750 0.000 0.000 0.000 3/28800 30.0 180.921 187.640 259.346 0.000 0.000 0.000 3/28800 40.0 73.975 77.929 105.221 0.000 0.000 0.000 3/28800 50.0 40.593 43.262 57.432 0.000 0.000 0.000 3/28800 60.0 26.348 28.288 37.143 0.000 0.000 0.000 3/28800 70.0 18.995 20.482 26.705 0.000 0.000 0.000 3/28800 80.0 14.685 15.871 20.601 0.000 0.000 0.000 3/28800 90.0 11.920 12.896 16.692 0.000 0.000 0.000 3/28800 100.0 10.023 10.846 14.016 0.000 0.000 0.000 3/28800 110.0 8.652 9.361 12.088 0.000 0.000 0.000 3/28800 120.0 7.621 8.240 10.640 0.000 0.000 0.000 3/28800 130.0 6.819 7.368 9.518 0.000 0.000 0.000 3/28800 140.0 6.178 6.670 8.625 0.000 0.000 0.000 3/28800 150.0 5.654 6.100 7.897 0.000 0.000 0.000 3/28800 160.0 5.218 5.626 7.293 0.000 0.000 0.000 3/28800 170.0 4.849 5.224 6.784 0.000 0.000 0.000 3/28800 180.0 4.533 4.881 6.348 0.000 0.000 0.000 3/28800 190.0 4.258 4.583 5.971 0.000 0.000 0.000 3/28800 200.0 4.017 4.322 5.642 0.000 0.000 0.000 3/28800 210.0 3.804 4.092 5.351 0.000 0.000 0.000 3/28800 220.0 3.614 3.887 5.092 0.000 0.000 0.000 3/28800 230.0 3.444 3.703 4.860 0.000 0.000 0.000 3/28800 240.0 3.290 3.537 4.651 0.000 0.000 0.000 3/28800 250.0 3.150 3.387 4.461 0.000 0.000 0.000 3/28800 260.0 3.023 3.250 4.288 0.000 0.000 0.000 3/28800 270.0 2.906 3.125 4.129 0.000 0.000 0.000 3/28800 280.0 2.798 3.009 3.982 0.000 0.000 0.000 3/28800 290.0 2.698 2.903 3.847 0.000 0.000 0.000 3/28800 300.0 2.606 2.804 3.721 0.000 0.000 0.000 3/28800 310.0 2.520 2.712 3.604 0.000 0.000 0.000 3/28800 320.0 2.440 2.627 3.495 0.000 0.000 0.000 3/28800 330.0 2.365 2.547 3.393 0.000 0.000 0.000 3/28800 340.0 2.295 2.472 3.296 0.000 0.000 0.000 3/28800 350.0 2.229 2.401 3.206 0.000 0.000 0.000 3/28800 360.0 2.167 2.335 3.121 0.000 0.000 0.000 3/28800 370.0 2.108 2.272 3.040 0.000 0.000 0.000 3/28800 380.0 2.053 2.213 2.963 0.000 0.000 0.000 3/28800 390.0 2.000 2.157 2.891 0.000 0.000 0.000 3/28800 400.0 1.951 2.104 2.822 0.000 0.000 0.000 3/28800 410.0 1.903 2.053 2.756 0.000 0.000 0.000 3/28800 420.0 1.858 2.005 2.694 0.000 0.000 0.000 3/28800 430.0 1.816 1.960 2.634 0.000 0.000 0.000 3/28800 440.0 1.775 1.916 2.577 0.000 0.000 0.000 3/28800 450.0 1.736 1.874 2.523 0.000 0.000 0.000 3/28800 460.0 1.698 1.834 2.470 0.000 0.000 0.000 3/28800 470.0 1.663 1.796 2.420 0.000 0.000 0.000 3/28800 480.0 1.628 1.759 2.372 0.000 0.000 0.000 3/28800 490.0 1.595 1.724 2.326 0.000 0.000 0.000 3/28800 500.0 1.564 1.691 2.282 0.000 0.000 0.000 3/28800 510.0 1.534 1.658 2.239 0.000 0.000 0.000 3/28800 520.0 1.505 1.627 2.198 0.000 0.000 0.000 3/28800 530.0 1.477 1.597 2.158 0.000 0.000 0.000 3/28800 540.0 1.450 1.568 2.120 0.000 0.000 0.000 3/28800 550.0 1.424 1.540 2.083 0.000 0.000 0.000 3/28800 560.0 1.398 1.513 2.048 0.000 0.000 0.000 3/28800 570.0 1.374 1.487 2.013 0.000 0.000 0.000 3/28800 580.0 1.351 1.462 1.980 0.000 0.000 0.000 3/28800 590.0 1.328 1.438 1.948 0.000 0.000 0.000 3/28800 600.0 1.306 1.415 1.917 0.000 0.000 0.000 3/28800 610.0 1.285 1.392 1.886 0.000 0.000 0.000 3/28800 620.0 1.265 1.370 1.857 0.000 0.000 0.000 3/28800 630.0 1.245 1.349 1.829 0.000 0.000 0.000 3/28800 640.0 1.226 1.328 1.801 0.000 0.000 0.000 3/28800 650.0 1.207 1.308 1.775 0.000 0.000 0.000 3/28800 660.0 1.189 1.289 1.749 0.000 0.000 0.000 3/28800 670.0 1.172 1.270 1.724 0.000 0.000 0.000 3/28800 680.0 1.155 1.252 1.699 0.000 0.000 0.000 3/28800 690.0 1.138 1.234 1.675 0.000 0.000 0.000 3/28800 700.0 1.122 1.217 1.652 0.000 0.000 0.000 3/28800 710.0 1.106 1.200 1.630 0.000 0.000 0.000 3/28800 720.0 1.091 1.183 1.608 0.000 0.000 0.000 3/28800 730.0 1.076 1.168 1.586 0.000 0.000 0.000 3/28800 740.0 1.062 1.152 1.566 0.000 0.000 0.000 3/28800 750.0 1.048 1.137 1.545 0.000 0.000 0.000 3/28800 760.0 1.034 1.122 1.526 0.000 0.000 0.000 3/28800 770.0 1.021 1.108 1.506 0.000 0.000 0.000 3/28800 780.0 1.008 1.094 1.488 0.000 0.000 0.000 3/28800 790.0 0.996 1.080 1.469 0.000 0.000 0.000 3/28800 800.0 0.983 1.067 1.452 0.000 0.000 0.000 3/28800 810.0 0.971 1.054 1.434 0.000 0.000 0.000 3/28800 820.0 0.960 1.042 1.417 0.000 0.000 0.000 3/28800 830.0 0.948 1.029 1.401 0.000 0.000 0.000 3/28800 840.0 0.937 1.017 1.384 0.000 0.000 0.000 3/28800 850.0 0.926 1.005 1.368 0.000 0.000 0.000 3/28800 860.0 0.915 0.994 1.353 0.000 0.000 0.000 3/28800 870.0 0.905 0.983 1.338 0.000 0.000 0.000 3/28800 880.0 0.895 0.972 1.323 0.000 0.000 0.000 3/28800 890.0 0.885 0.961 1.308 0.000 0.000 0.000 3/28800 900.0 0.875 0.950 1.294 0.000 0.000 0.000 3/28800 910.0 0.866 0.940 1.280 0.000 0.000 0.000 3/28800 920.0 0.856 0.930 1.267 0.000 0.000 0.000 3/28800 930.0 0.847 0.920 1.253 0.000 0.000 0.000 3/28800 940.0 0.838 0.911 1.240 0.000 0.000 0.000 3/28800 950.0 0.829 0.901 1.228 0.000 0.000 0.000 3/28800 960.0 0.821 0.892 1.215 0.000 0.000 0.000 3/28800 970.0 0.813 0.883 1.203 0.000 0.000 0.000 3/28800 980.0 0.804 0.874 1.191 0.000 0.000 0.000 3/28800 990.0 0.796 0.865 1.179 0.000 0.000 0.000 3/28800 1000.0 0.788 0.857 1.167 0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:09:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|