----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:04:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.850008030828834 0.000000000000000 0.000000000000000 b 0.000000000000000 9.606438819999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): *1 Rb 0.40552627202850 0.20927277394213 0.28113685312775 85.468 *2 Rb 0.04678935808266 0.34819271619258 0.92559582667273 85.468 *3 Rb 0.79637184129761 0.47385483980983 0.54845702088348 85.468 4 Rb 0.20362815870239 0.97385483980983 0.95154297911652 85.468 5 Rb 0.59447372797150 0.70927277394213 0.21886314687225 85.468 6 Rb 0.95321064191734 0.84819271619258 0.57440417332727 85.468 7 Rb 0.04678935808266 0.15180728380742 0.42559582667273 85.468 8 Rb 0.40552627202850 0.29072722605787 0.78113685312775 85.468 9 Rb 0.79637184129761 0.02614516019017 0.04845702088348 85.468 10 Rb 0.20362815870239 0.52614516019017 0.45154297911652 85.468 11 Rb 0.95321064191734 0.65180728380742 0.07440417332727 85.468 12 Rb 0.59447372797150 0.79072722605787 0.71886314687225 85.468 *13 Ti 0.68324026914110 0.14019232650909 0.63030321326769 47.867 14 Ti 0.31675973085890 0.64019232650909 0.86969678673231 47.867 15 Ti 0.68324026914110 0.35980767349091 0.13030321326769 47.867 16 Ti 0.31675973085890 0.85980767349091 0.36969678673231 47.867 *17 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 *18 O 0.24857322468905 0.90739950454556 0.20163934100109 15.999 *19 O 0.50014212164153 0.70661192686332 0.42845151401382 15.999 *20 O 0.05153334097763 0.66911654622789 0.86594781830927 15.999 21 O 0.94846665902237 0.16911654622789 0.63405218169073 15.999 22 O 0.49985787835847 0.20661192686332 0.07154848598618 15.999 23 O 0.75142677531095 0.40739950454556 0.29836065899891 15.999 24 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 25 O 0.24857322468905 0.59260049545444 0.70163934100109 15.999 26 O 0.50014212164153 0.79338807313668 0.92845151401382 15.999 27 O 0.05153334097763 0.83088345377211 0.36594781830927 15.999 28 O 0.94846665902237 0.33088345377211 0.13405218169073 15.999 29 O 0.49985787835847 0.29338807313668 0.57154848598618 15.999 30 O 0.75142677531095 0.09260049545444 0.79836065899891 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.850008030828834 0.000000000000000 0.000000000000000 b 0.000000000000000 9.606438819999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): *1 Rb 0.40552627202850 0.20927277394213 0.28113685312775 85.468 > 1 *2 Rb 0.04678935808266 0.34819271619258 0.92559582667273 85.468 > 2 *3 Rb 0.79637184129761 0.47385483980983 0.54845702088348 85.468 > 3 4 Rb 0.20362815870239 0.97385483980983 0.95154297911652 85.468 > 4 5 Rb 0.59447372797150 0.70927277394213 0.21886314687225 85.468 > 5 6 Rb 0.95321064191734 0.84819271619258 0.57440417332727 85.468 > 6 7 Rb 0.04678935808266 0.15180728380742 0.42559582667273 85.468 > 7 8 Rb 0.40552627202850 0.29072722605787 0.78113685312775 85.468 > 8 9 Rb 0.79637184129761 0.02614516019017 0.04845702088348 85.468 > 9 10 Rb 0.20362815870239 0.52614516019017 0.45154297911652 85.468 > 10 11 Rb 0.95321064191734 0.65180728380742 0.07440417332727 85.468 > 11 12 Rb 0.59447372797150 0.79072722605787 0.71886314687225 85.468 > 12 *13 Ti 0.68324026914110 0.14019232650909 0.63030321326769 47.867 > 13 14 Ti 0.31675973085890 0.64019232650909 0.86969678673231 47.867 > 14 15 Ti 0.68324026914110 0.35980767349091 0.13030321326769 47.867 > 15 16 Ti 0.31675973085890 0.85980767349091 0.36969678673231 47.867 > 16 *17 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 17 *18 O 0.24857322468905 0.90739950454556 0.20163934100109 15.999 > 18 *19 O 0.50014212164153 0.70661192686332 0.42845151401382 15.999 > 19 *20 O 0.05153334097763 0.66911654622789 0.86594781830927 15.999 > 20 21 O 0.94846665902237 0.16911654622789 0.63405218169073 15.999 > 21 22 O 0.49985787835847 0.20661192686332 0.07154848598618 15.999 > 22 23 O 0.75142677531095 0.40739950454556 0.29836065899891 15.999 > 23 24 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 24 25 O 0.24857322468905 0.59260049545444 0.70163934100109 15.999 > 25 26 O 0.50014212164153 0.79338807313668 0.92845151401382 15.999 > 26 27 O 0.05153334097763 0.83088345377211 0.36594781830927 15.999 > 27 28 O 0.94846665902237 0.33088345377211 0.13405218169073 15.999 > 28 29 O 0.49985787835847 0.29338807313668 0.57154848598618 15.999 > 29 30 O 0.75142677531095 0.09260049545444 0.79836065899891 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.700016061657667 0.000000000000000 0.000000000000000 b 0.000000000000000 19.212877639999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): *1 Rb 0.20276313601425 0.10463638697107 0.28113685312775 85.468 > 1 2 Rb 0.70276313601425 0.10463638697107 0.28113685312775 85.468 > 1 3 Rb 0.20276313601425 0.60463638697107 0.28113685312775 85.468 > 1 4 Rb 0.70276313601425 0.60463638697107 0.28113685312775 85.468 > 1 *5 Rb 0.02339467904133 0.17409635809629 0.92559582667273 85.468 > 2 6 Rb 0.52339467904133 0.17409635809629 0.92559582667273 85.468 > 2 7 Rb 0.02339467904133 0.67409635809629 0.92559582667273 85.468 > 2 8 Rb 0.52339467904133 0.67409635809629 0.92559582667273 85.468 > 2 *9 Rb 0.39818592064880 0.23692741990491 0.54845702088348 85.468 > 3 10 Rb 0.89818592064880 0.23692741990491 0.54845702088348 85.468 > 3 11 Rb 0.39818592064880 0.73692741990491 0.54845702088348 85.468 > 3 12 Rb 0.89818592064880 0.73692741990491 0.54845702088348 85.468 > 3 13 Rb 0.10181407935120 0.48692741990491 0.95154297911652 85.468 > 4 14 Rb 0.60181407935120 0.48692741990491 0.95154297911652 85.468 > 4 15 Rb 0.10181407935120 0.98692741990491 0.95154297911652 85.468 > 4 16 Rb 0.60181407935120 0.98692741990491 0.95154297911652 85.468 > 4 17 Rb 0.29723686398575 0.35463638697107 0.21886314687225 85.468 > 5 18 Rb 0.79723686398575 0.35463638697107 0.21886314687225 85.468 > 5 19 Rb 0.29723686398575 0.85463638697107 0.21886314687225 85.468 > 5 20 Rb 0.79723686398575 0.85463638697107 0.21886314687225 85.468 > 5 21 Rb 0.47660532095867 0.42409635809629 0.57440417332727 85.468 > 6 22 Rb 0.97660532095867 0.42409635809629 0.57440417332727 85.468 > 6 23 Rb 0.47660532095867 0.92409635809629 0.57440417332727 85.468 > 6 24 Rb 0.97660532095867 0.92409635809629 0.57440417332727 85.468 > 6 25 Rb 0.02339467904133 0.07590364190371 0.42559582667273 85.468 > 7 26 Rb 0.52339467904133 0.07590364190371 0.42559582667273 85.468 > 7 27 Rb 0.02339467904133 0.57590364190371 0.42559582667273 85.468 > 7 28 Rb 0.52339467904133 0.57590364190371 0.42559582667273 85.468 > 7 29 Rb 0.20276313601425 0.14536361302893 0.78113685312775 85.468 > 8 30 Rb 0.70276313601425 0.14536361302893 0.78113685312775 85.468 > 8 31 Rb 0.20276313601425 0.64536361302893 0.78113685312775 85.468 > 8 32 Rb 0.70276313601425 0.64536361302893 0.78113685312775 85.468 > 8 33 Rb 0.39818592064880 0.01307258009509 0.04845702088348 85.468 > 9 34 Rb 0.89818592064880 0.01307258009509 0.04845702088348 85.468 > 9 35 Rb 0.39818592064880 0.51307258009509 0.04845702088348 85.468 > 9 36 Rb 0.89818592064880 0.51307258009509 0.04845702088348 85.468 > 9 37 Rb 0.10181407935120 0.26307258009509 0.45154297911652 85.468 > 10 38 Rb 0.60181407935120 0.26307258009509 0.45154297911652 85.468 > 10 39 Rb 0.10181407935120 0.76307258009509 0.45154297911652 85.468 > 10 40 Rb 0.60181407935120 0.76307258009509 0.45154297911652 85.468 > 10 41 Rb 0.47660532095867 0.32590364190371 0.07440417332727 85.468 > 11 42 Rb 0.97660532095867 0.32590364190371 0.07440417332727 85.468 > 11 43 Rb 0.47660532095867 0.82590364190371 0.07440417332727 85.468 > 11 44 Rb 0.97660532095867 0.82590364190371 0.07440417332727 85.468 > 11 45 Rb 0.29723686398575 0.39536361302893 0.71886314687225 85.468 > 12 46 Rb 0.79723686398575 0.39536361302893 0.71886314687225 85.468 > 12 47 Rb 0.29723686398575 0.89536361302893 0.71886314687225 85.468 > 12 48 Rb 0.79723686398575 0.89536361302893 0.71886314687225 85.468 > 12 *49 Ti 0.34162013457055 0.07009616325455 0.63030321326769 47.867 > 13 50 Ti 0.84162013457055 0.07009616325455 0.63030321326769 47.867 > 13 51 Ti 0.34162013457055 0.57009616325455 0.63030321326769 47.867 > 13 52 Ti 0.84162013457055 0.57009616325455 0.63030321326769 47.867 > 13 53 Ti 0.15837986542945 0.32009616325455 0.86969678673231 47.867 > 14 54 Ti 0.65837986542945 0.32009616325455 0.86969678673231 47.867 > 14 55 Ti 0.15837986542945 0.82009616325455 0.86969678673231 47.867 > 14 56 Ti 0.65837986542945 0.82009616325455 0.86969678673231 47.867 > 14 57 Ti 0.34162013457055 0.17990383674545 0.13030321326769 47.867 > 15 58 Ti 0.84162013457055 0.17990383674545 0.13030321326769 47.867 > 15 59 Ti 0.34162013457055 0.67990383674545 0.13030321326769 47.867 > 15 60 Ti 0.84162013457055 0.67990383674545 0.13030321326769 47.867 > 15 61 Ti 0.15837986542945 0.42990383674545 0.36969678673231 47.867 > 16 62 Ti 0.65837986542945 0.42990383674545 0.36969678673231 47.867 > 16 63 Ti 0.15837986542945 0.92990383674545 0.36969678673231 47.867 > 16 64 Ti 0.65837986542945 0.92990383674545 0.36969678673231 47.867 > 16 *65 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 17 66 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 17 67 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 17 68 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 17 *69 O 0.12428661234453 0.45369975227278 0.20163934100109 15.999 > 18 70 O 0.62428661234453 0.45369975227278 0.20163934100109 15.999 > 18 71 O 0.12428661234453 0.95369975227278 0.20163934100109 15.999 > 18 72 O 0.62428661234453 0.95369975227278 0.20163934100109 15.999 > 18 *73 O 0.25007106082077 0.35330596343166 0.42845151401382 15.999 > 19 74 O 0.75007106082077 0.35330596343166 0.42845151401382 15.999 > 19 75 O 0.25007106082077 0.85330596343166 0.42845151401382 15.999 > 19 76 O 0.75007106082077 0.85330596343166 0.42845151401382 15.999 > 19 *77 O 0.02576667048882 0.33455827311395 0.86594781830927 15.999 > 20 78 O 0.52576667048882 0.33455827311395 0.86594781830927 15.999 > 20 79 O 0.02576667048882 0.83455827311395 0.86594781830927 15.999 > 20 80 O 0.52576667048882 0.83455827311395 0.86594781830927 15.999 > 20 81 O 0.47423332951118 0.08455827311395 0.63405218169073 15.999 > 21 82 O 0.97423332951118 0.08455827311395 0.63405218169073 15.999 > 21 83 O 0.47423332951118 0.58455827311395 0.63405218169073 15.999 > 21 84 O 0.97423332951118 0.58455827311395 0.63405218169073 15.999 > 21 85 O 0.24992893917923 0.10330596343166 0.07154848598618 15.999 > 22 86 O 0.74992893917923 0.10330596343166 0.07154848598618 15.999 > 22 87 O 0.24992893917923 0.60330596343166 0.07154848598618 15.999 > 22 88 O 0.74992893917923 0.60330596343166 0.07154848598618 15.999 > 22 89 O 0.37571338765547 0.20369975227278 0.29836065899891 15.999 > 23 90 O 0.87571338765547 0.20369975227278 0.29836065899891 15.999 > 23 91 O 0.37571338765547 0.70369975227278 0.29836065899891 15.999 > 23 92 O 0.87571338765547 0.70369975227278 0.29836065899891 15.999 > 23 93 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 24 94 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 24 95 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 24 96 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 24 97 O 0.12428661234453 0.29630024772722 0.70163934100109 15.999 > 25 98 O 0.62428661234453 0.29630024772722 0.70163934100109 15.999 > 25 99 O 0.12428661234453 0.79630024772722 0.70163934100109 15.999 > 25 100 O 0.62428661234453 0.79630024772722 0.70163934100109 15.999 > 25 101 O 0.25007106082077 0.39669403656834 0.92845151401382 15.999 > 26 102 O 0.75007106082077 0.39669403656834 0.92845151401382 15.999 > 26 103 O 0.25007106082077 0.89669403656834 0.92845151401382 15.999 > 26 104 O 0.75007106082077 0.89669403656834 0.92845151401382 15.999 > 26 105 O 0.02576667048882 0.41544172688605 0.36594781830927 15.999 > 27 106 O 0.52576667048882 0.41544172688605 0.36594781830927 15.999 > 27 107 O 0.02576667048882 0.91544172688605 0.36594781830927 15.999 > 27 108 O 0.52576667048882 0.91544172688605 0.36594781830927 15.999 > 27 109 O 0.47423332951118 0.16544172688605 0.13405218169073 15.999 > 28 110 O 0.97423332951118 0.16544172688605 0.13405218169073 15.999 > 28 111 O 0.47423332951118 0.66544172688605 0.13405218169073 15.999 > 28 112 O 0.97423332951118 0.66544172688605 0.13405218169073 15.999 > 28 113 O 0.24992893917923 0.14669403656834 0.57154848598618 15.999 > 29 114 O 0.74992893917923 0.14669403656834 0.57154848598618 15.999 > 29 115 O 0.24992893917923 0.64669403656834 0.57154848598618 15.999 > 29 116 O 0.74992893917923 0.64669403656834 0.57154848598618 15.999 > 29 117 O 0.37571338765547 0.04630024772722 0.79836065899891 15.999 > 30 118 O 0.87571338765547 0.04630024772722 0.79836065899891 15.999 > 30 119 O 0.37571338765547 0.54630024772722 0.79836065899891 15.999 > 30 120 O 0.87571338765547 0.54630024772722 0.79836065899891 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9811068 0.0000000 0.0042519 0.0000000 2.9417977 0.0000000 0.0042544 0.0000000 2.9826015 -------------------------- Born effective charges -------------------------- 1 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 2 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 3 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 4 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 5 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 6 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 7 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 8 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 9 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 10 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 11 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 12 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 13 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 14 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 15 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 16 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 17 O -0.9728629 -0.5002777 -0.5514046 -0.5108101 -2.7258646 -1.6184501 -0.5938727 -1.5728358 -2.4359756 18 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 19 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 20 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 21 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 22 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 23 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 24 O -0.9728629 0.5002777 -0.5514046 0.5108101 -2.7258646 1.6184501 -0.5938727 1.5728358 -2.4359756 25 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 26 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 27 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 28 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 29 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 30 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 ---------------------------------------------------------------------------- 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: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 391 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 16), data: (902, 32) @ (32, 16) |-- (402, 386), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 16), data: (902, 32) @ (32, 16) |-- (402, 386), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 887), data: False |-- (902, 11), data: (902, 26) @ (26, 11) |-- (402, 391), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.076 Solver_block: 200 / 960 - Time: 0.931 Solver_block: 300 / 960 - Time: 0.930 Solver_block: 400 / 960 - Time: 0.930 Solver_block: 500 / 960 - Time: 0.930 Solver_block: 600 / 960 - Time: 0.929 Solver_block: 700 / 960 - Time: 0.935 Solver_block: 800 / 960 - Time: 0.930 Solver_block: 900 / 960 - Time: 0.931 Solver_block: 960 / 960 - Time: 0.655 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.424 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 902 / 902 (1) 391 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 386 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 16), data: (902, 32) @ (32, 16) |-- (402, 386), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 886), data: False |-- (902, 16), data: (902, 32) @ (32, 16) |-- (402, 386), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 887), data: False |-- (902, 11), data: (902, 26) @ (26, 11) |-- (402, 391), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:05:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:05:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.850008030828834 0.000000000000000 0.000000000000000 b 0.000000000000000 9.606438819999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): 1 Rb 0.40552627202850 0.20927277394213 0.28113685312775 85.468 2 Rb 0.04678935808266 0.34819271619258 0.92559582667273 85.468 3 Rb 0.79637184129761 0.47385483980983 0.54845702088348 85.468 4 Rb 0.20362815870239 0.97385483980983 0.95154297911652 85.468 5 Rb 0.59447372797150 0.70927277394213 0.21886314687225 85.468 6 Rb 0.95321064191734 0.84819271619258 0.57440417332727 85.468 7 Rb 0.04678935808266 0.15180728380742 0.42559582667273 85.468 8 Rb 0.40552627202850 0.29072722605787 0.78113685312775 85.468 9 Rb 0.79637184129761 0.02614516019017 0.04845702088348 85.468 10 Rb 0.20362815870239 0.52614516019017 0.45154297911652 85.468 11 Rb 0.95321064191734 0.65180728380742 0.07440417332727 85.468 12 Rb 0.59447372797150 0.79072722605787 0.71886314687225 85.468 13 Ti 0.68324026914110 0.14019232650909 0.63030321326769 47.867 14 Ti 0.31675973085890 0.64019232650909 0.86969678673231 47.867 15 Ti 0.68324026914110 0.35980767349091 0.13030321326769 47.867 16 Ti 0.31675973085890 0.85980767349091 0.36969678673231 47.867 17 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 18 O 0.24857322468905 0.90739950454556 0.20163934100109 15.999 19 O 0.50014212164153 0.70661192686332 0.42845151401382 15.999 20 O 0.05153334097763 0.66911654622789 0.86594781830927 15.999 21 O 0.94846665902237 0.16911654622789 0.63405218169073 15.999 22 O 0.49985787835847 0.20661192686332 0.07154848598618 15.999 23 O 0.75142677531095 0.40739950454556 0.29836065899891 15.999 24 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 25 O 0.24857322468905 0.59260049545444 0.70163934100109 15.999 26 O 0.50014212164153 0.79338807313668 0.92845151401382 15.999 27 O 0.05153334097763 0.83088345377211 0.36594781830927 15.999 28 O 0.94846665902237 0.33088345377211 0.13405218169073 15.999 29 O 0.49985787835847 0.29338807313668 0.57154848598618 15.999 30 O 0.75142677531095 0.09260049545444 0.79836065899891 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.700016061657667 0.000000000000000 0.000000000000000 b 0.000000000000000 19.212877639999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): 1 Rb 0.20276313601425 0.10463638697107 0.28113685312775 85.468 > 1 2 Rb 0.70276313601425 0.10463638697107 0.28113685312775 85.468 > 1 3 Rb 0.20276313601425 0.60463638697107 0.28113685312775 85.468 > 1 4 Rb 0.70276313601425 0.60463638697107 0.28113685312775 85.468 > 1 5 Rb 0.02339467904133 0.17409635809629 0.92559582667273 85.468 > 5 6 Rb 0.52339467904133 0.17409635809629 0.92559582667273 85.468 > 5 7 Rb 0.02339467904133 0.67409635809629 0.92559582667273 85.468 > 5 8 Rb 0.52339467904133 0.67409635809629 0.92559582667273 85.468 > 5 9 Rb 0.39818592064880 0.23692741990491 0.54845702088348 85.468 > 9 10 Rb 0.89818592064880 0.23692741990491 0.54845702088348 85.468 > 9 11 Rb 0.39818592064880 0.73692741990491 0.54845702088348 85.468 > 9 12 Rb 0.89818592064880 0.73692741990491 0.54845702088348 85.468 > 9 13 Rb 0.10181407935120 0.48692741990491 0.95154297911652 85.468 > 13 14 Rb 0.60181407935120 0.48692741990491 0.95154297911652 85.468 > 13 15 Rb 0.10181407935120 0.98692741990491 0.95154297911652 85.468 > 13 16 Rb 0.60181407935120 0.98692741990491 0.95154297911652 85.468 > 13 17 Rb 0.29723686398575 0.35463638697107 0.21886314687225 85.468 > 17 18 Rb 0.79723686398575 0.35463638697107 0.21886314687225 85.468 > 17 19 Rb 0.29723686398575 0.85463638697107 0.21886314687225 85.468 > 17 20 Rb 0.79723686398575 0.85463638697107 0.21886314687225 85.468 > 17 21 Rb 0.47660532095867 0.42409635809629 0.57440417332727 85.468 > 21 22 Rb 0.97660532095867 0.42409635809629 0.57440417332727 85.468 > 21 23 Rb 0.47660532095867 0.92409635809629 0.57440417332727 85.468 > 21 24 Rb 0.97660532095867 0.92409635809629 0.57440417332727 85.468 > 21 25 Rb 0.02339467904133 0.07590364190371 0.42559582667273 85.468 > 25 26 Rb 0.52339467904133 0.07590364190371 0.42559582667273 85.468 > 25 27 Rb 0.02339467904133 0.57590364190371 0.42559582667273 85.468 > 25 28 Rb 0.52339467904133 0.57590364190371 0.42559582667273 85.468 > 25 29 Rb 0.20276313601425 0.14536361302893 0.78113685312775 85.468 > 29 30 Rb 0.70276313601425 0.14536361302893 0.78113685312775 85.468 > 29 31 Rb 0.20276313601425 0.64536361302893 0.78113685312775 85.468 > 29 32 Rb 0.70276313601425 0.64536361302893 0.78113685312775 85.468 > 29 33 Rb 0.39818592064880 0.01307258009509 0.04845702088348 85.468 > 33 34 Rb 0.89818592064880 0.01307258009509 0.04845702088348 85.468 > 33 35 Rb 0.39818592064880 0.51307258009509 0.04845702088348 85.468 > 33 36 Rb 0.89818592064880 0.51307258009509 0.04845702088348 85.468 > 33 37 Rb 0.10181407935120 0.26307258009509 0.45154297911652 85.468 > 37 38 Rb 0.60181407935120 0.26307258009509 0.45154297911652 85.468 > 37 39 Rb 0.10181407935120 0.76307258009509 0.45154297911652 85.468 > 37 40 Rb 0.60181407935120 0.76307258009509 0.45154297911652 85.468 > 37 41 Rb 0.47660532095867 0.32590364190371 0.07440417332727 85.468 > 41 42 Rb 0.97660532095867 0.32590364190371 0.07440417332727 85.468 > 41 43 Rb 0.47660532095867 0.82590364190371 0.07440417332727 85.468 > 41 44 Rb 0.97660532095867 0.82590364190371 0.07440417332727 85.468 > 41 45 Rb 0.29723686398575 0.39536361302893 0.71886314687225 85.468 > 45 46 Rb 0.79723686398575 0.39536361302893 0.71886314687225 85.468 > 45 47 Rb 0.29723686398575 0.89536361302893 0.71886314687225 85.468 > 45 48 Rb 0.79723686398575 0.89536361302893 0.71886314687225 85.468 > 45 49 Ti 0.34162013457055 0.07009616325455 0.63030321326769 47.867 > 49 50 Ti 0.84162013457055 0.07009616325455 0.63030321326769 47.867 > 49 51 Ti 0.34162013457055 0.57009616325455 0.63030321326769 47.867 > 49 52 Ti 0.84162013457055 0.57009616325455 0.63030321326769 47.867 > 49 53 Ti 0.15837986542945 0.32009616325455 0.86969678673231 47.867 > 53 54 Ti 0.65837986542945 0.32009616325455 0.86969678673231 47.867 > 53 55 Ti 0.15837986542945 0.82009616325455 0.86969678673231 47.867 > 53 56 Ti 0.65837986542945 0.82009616325455 0.86969678673231 47.867 > 53 57 Ti 0.34162013457055 0.17990383674545 0.13030321326769 47.867 > 57 58 Ti 0.84162013457055 0.17990383674545 0.13030321326769 47.867 > 57 59 Ti 0.34162013457055 0.67990383674545 0.13030321326769 47.867 > 57 60 Ti 0.84162013457055 0.67990383674545 0.13030321326769 47.867 > 57 61 Ti 0.15837986542945 0.42990383674545 0.36969678673231 47.867 > 61 62 Ti 0.65837986542945 0.42990383674545 0.36969678673231 47.867 > 61 63 Ti 0.15837986542945 0.92990383674545 0.36969678673231 47.867 > 61 64 Ti 0.65837986542945 0.92990383674545 0.36969678673231 47.867 > 61 65 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 65 66 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 65 67 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 65 68 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 65 69 O 0.12428661234453 0.45369975227278 0.20163934100109 15.999 > 69 70 O 0.62428661234453 0.45369975227278 0.20163934100109 15.999 > 69 71 O 0.12428661234453 0.95369975227278 0.20163934100109 15.999 > 69 72 O 0.62428661234453 0.95369975227278 0.20163934100109 15.999 > 69 73 O 0.25007106082077 0.35330596343166 0.42845151401382 15.999 > 73 74 O 0.75007106082077 0.35330596343166 0.42845151401382 15.999 > 73 75 O 0.25007106082077 0.85330596343166 0.42845151401382 15.999 > 73 76 O 0.75007106082077 0.85330596343166 0.42845151401382 15.999 > 73 77 O 0.02576667048882 0.33455827311395 0.86594781830927 15.999 > 77 78 O 0.52576667048882 0.33455827311395 0.86594781830927 15.999 > 77 79 O 0.02576667048882 0.83455827311395 0.86594781830927 15.999 > 77 80 O 0.52576667048882 0.83455827311395 0.86594781830927 15.999 > 77 81 O 0.47423332951118 0.08455827311395 0.63405218169073 15.999 > 81 82 O 0.97423332951118 0.08455827311395 0.63405218169073 15.999 > 81 83 O 0.47423332951118 0.58455827311395 0.63405218169073 15.999 > 81 84 O 0.97423332951118 0.58455827311395 0.63405218169073 15.999 > 81 85 O 0.24992893917923 0.10330596343166 0.07154848598618 15.999 > 85 86 O 0.74992893917923 0.10330596343166 0.07154848598618 15.999 > 85 87 O 0.24992893917923 0.60330596343166 0.07154848598618 15.999 > 85 88 O 0.74992893917923 0.60330596343166 0.07154848598618 15.999 > 85 89 O 0.37571338765547 0.20369975227278 0.29836065899891 15.999 > 89 90 O 0.87571338765547 0.20369975227278 0.29836065899891 15.999 > 89 91 O 0.37571338765547 0.70369975227278 0.29836065899891 15.999 > 89 92 O 0.87571338765547 0.70369975227278 0.29836065899891 15.999 > 89 93 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 93 94 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 93 95 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 93 96 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 93 97 O 0.12428661234453 0.29630024772722 0.70163934100109 15.999 > 97 98 O 0.62428661234453 0.29630024772722 0.70163934100109 15.999 > 97 99 O 0.12428661234453 0.79630024772722 0.70163934100109 15.999 > 97 100 O 0.62428661234453 0.79630024772722 0.70163934100109 15.999 > 97 101 O 0.25007106082077 0.39669403656834 0.92845151401382 15.999 > 101 102 O 0.75007106082077 0.39669403656834 0.92845151401382 15.999 > 101 103 O 0.25007106082077 0.89669403656834 0.92845151401382 15.999 > 101 104 O 0.75007106082077 0.89669403656834 0.92845151401382 15.999 > 101 105 O 0.02576667048882 0.41544172688605 0.36594781830927 15.999 > 105 106 O 0.52576667048882 0.41544172688605 0.36594781830927 15.999 > 105 107 O 0.02576667048882 0.91544172688605 0.36594781830927 15.999 > 105 108 O 0.52576667048882 0.91544172688605 0.36594781830927 15.999 > 105 109 O 0.47423332951118 0.16544172688605 0.13405218169073 15.999 > 109 110 O 0.97423332951118 0.16544172688605 0.13405218169073 15.999 > 109 111 O 0.47423332951118 0.66544172688605 0.13405218169073 15.999 > 109 112 O 0.97423332951118 0.66544172688605 0.13405218169073 15.999 > 109 113 O 0.24992893917923 0.14669403656834 0.57154848598618 15.999 > 113 114 O 0.74992893917923 0.14669403656834 0.57154848598618 15.999 > 113 115 O 0.24992893917923 0.64669403656834 0.57154848598618 15.999 > 113 116 O 0.74992893917923 0.64669403656834 0.57154848598618 15.999 > 113 117 O 0.37571338765547 0.04630024772722 0.79836065899891 15.999 > 117 118 O 0.87571338765547 0.04630024772722 0.79836065899891 15.999 > 117 119 O 0.37571338765547 0.54630024772722 0.79836065899891 15.999 > 117 120 O 0.87571338765547 0.54630024772722 0.79836065899891 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9811068 0.0000000 0.0042519 0.0000000 2.9417977 0.0000000 0.0042544 0.0000000 2.9826015 -------------------------- Born effective charges -------------------------- 1 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 2 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 3 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 4 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 5 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 6 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 7 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 8 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 9 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 10 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 11 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 12 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 13 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 14 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 15 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 16 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 17 O -0.9728629 -0.5002777 -0.5514046 -0.5108101 -2.7258646 -1.6184501 -0.5938727 -1.5728358 -2.4359756 18 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 19 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 20 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 21 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 22 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 23 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 24 O -0.9728629 0.5002777 -0.5514046 0.5108101 -2.7258646 1.6184501 -0.5938727 1.5728358 -2.4359756 25 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 26 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 27 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 28 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 29 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 30 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 5, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 69, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 77, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:05:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:05:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.850008030828834 0.000000000000000 0.000000000000000 b 0.000000000000000 9.606438819999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): 1 Rb 0.40552627202850 0.20927277394213 0.28113685312775 85.468 2 Rb 0.04678935808266 0.34819271619258 0.92559582667273 85.468 3 Rb 0.79637184129761 0.47385483980983 0.54845702088348 85.468 4 Rb 0.20362815870239 0.97385483980983 0.95154297911652 85.468 5 Rb 0.59447372797150 0.70927277394213 0.21886314687225 85.468 6 Rb 0.95321064191734 0.84819271619258 0.57440417332727 85.468 7 Rb 0.04678935808266 0.15180728380742 0.42559582667273 85.468 8 Rb 0.40552627202850 0.29072722605787 0.78113685312775 85.468 9 Rb 0.79637184129761 0.02614516019017 0.04845702088348 85.468 10 Rb 0.20362815870239 0.52614516019017 0.45154297911652 85.468 11 Rb 0.95321064191734 0.65180728380742 0.07440417332727 85.468 12 Rb 0.59447372797150 0.79072722605787 0.71886314687225 85.468 13 Ti 0.68324026914110 0.14019232650909 0.63030321326769 47.867 14 Ti 0.31675973085890 0.64019232650909 0.86969678673231 47.867 15 Ti 0.68324026914110 0.35980767349091 0.13030321326769 47.867 16 Ti 0.31675973085890 0.85980767349091 0.36969678673231 47.867 17 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 18 O 0.24857322468905 0.90739950454556 0.20163934100109 15.999 19 O 0.50014212164153 0.70661192686332 0.42845151401382 15.999 20 O 0.05153334097763 0.66911654622789 0.86594781830927 15.999 21 O 0.94846665902237 0.16911654622789 0.63405218169073 15.999 22 O 0.49985787835847 0.20661192686332 0.07154848598618 15.999 23 O 0.75142677531095 0.40739950454556 0.29836065899891 15.999 24 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 25 O 0.24857322468905 0.59260049545444 0.70163934100109 15.999 26 O 0.50014212164153 0.79338807313668 0.92845151401382 15.999 27 O 0.05153334097763 0.83088345377211 0.36594781830927 15.999 28 O 0.94846665902237 0.33088345377211 0.13405218169073 15.999 29 O 0.49985787835847 0.29338807313668 0.57154848598618 15.999 30 O 0.75142677531095 0.09260049545444 0.79836065899891 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.700016061657667 0.000000000000000 0.000000000000000 b 0.000000000000000 19.212877639999999 0.000000000000000 c -6.484416656822003 0.000000000000000 9.699932953966204 Atomic positions (fractional): 1 Rb 0.20276313601425 0.10463638697107 0.28113685312775 85.468 > 1 2 Rb 0.70276313601425 0.10463638697107 0.28113685312775 85.468 > 1 3 Rb 0.20276313601425 0.60463638697107 0.28113685312775 85.468 > 1 4 Rb 0.70276313601425 0.60463638697107 0.28113685312775 85.468 > 1 5 Rb 0.02339467904133 0.17409635809629 0.92559582667273 85.468 > 5 6 Rb 0.52339467904133 0.17409635809629 0.92559582667273 85.468 > 5 7 Rb 0.02339467904133 0.67409635809629 0.92559582667273 85.468 > 5 8 Rb 0.52339467904133 0.67409635809629 0.92559582667273 85.468 > 5 9 Rb 0.39818592064880 0.23692741990491 0.54845702088348 85.468 > 9 10 Rb 0.89818592064880 0.23692741990491 0.54845702088348 85.468 > 9 11 Rb 0.39818592064880 0.73692741990491 0.54845702088348 85.468 > 9 12 Rb 0.89818592064880 0.73692741990491 0.54845702088348 85.468 > 9 13 Rb 0.10181407935120 0.48692741990491 0.95154297911652 85.468 > 13 14 Rb 0.60181407935120 0.48692741990491 0.95154297911652 85.468 > 13 15 Rb 0.10181407935120 0.98692741990491 0.95154297911652 85.468 > 13 16 Rb 0.60181407935120 0.98692741990491 0.95154297911652 85.468 > 13 17 Rb 0.29723686398575 0.35463638697107 0.21886314687225 85.468 > 17 18 Rb 0.79723686398575 0.35463638697107 0.21886314687225 85.468 > 17 19 Rb 0.29723686398575 0.85463638697107 0.21886314687225 85.468 > 17 20 Rb 0.79723686398575 0.85463638697107 0.21886314687225 85.468 > 17 21 Rb 0.47660532095867 0.42409635809629 0.57440417332727 85.468 > 21 22 Rb 0.97660532095867 0.42409635809629 0.57440417332727 85.468 > 21 23 Rb 0.47660532095867 0.92409635809629 0.57440417332727 85.468 > 21 24 Rb 0.97660532095867 0.92409635809629 0.57440417332727 85.468 > 21 25 Rb 0.02339467904133 0.07590364190371 0.42559582667273 85.468 > 25 26 Rb 0.52339467904133 0.07590364190371 0.42559582667273 85.468 > 25 27 Rb 0.02339467904133 0.57590364190371 0.42559582667273 85.468 > 25 28 Rb 0.52339467904133 0.57590364190371 0.42559582667273 85.468 > 25 29 Rb 0.20276313601425 0.14536361302893 0.78113685312775 85.468 > 29 30 Rb 0.70276313601425 0.14536361302893 0.78113685312775 85.468 > 29 31 Rb 0.20276313601425 0.64536361302893 0.78113685312775 85.468 > 29 32 Rb 0.70276313601425 0.64536361302893 0.78113685312775 85.468 > 29 33 Rb 0.39818592064880 0.01307258009509 0.04845702088348 85.468 > 33 34 Rb 0.89818592064880 0.01307258009509 0.04845702088348 85.468 > 33 35 Rb 0.39818592064880 0.51307258009509 0.04845702088348 85.468 > 33 36 Rb 0.89818592064880 0.51307258009509 0.04845702088348 85.468 > 33 37 Rb 0.10181407935120 0.26307258009509 0.45154297911652 85.468 > 37 38 Rb 0.60181407935120 0.26307258009509 0.45154297911652 85.468 > 37 39 Rb 0.10181407935120 0.76307258009509 0.45154297911652 85.468 > 37 40 Rb 0.60181407935120 0.76307258009509 0.45154297911652 85.468 > 37 41 Rb 0.47660532095867 0.32590364190371 0.07440417332727 85.468 > 41 42 Rb 0.97660532095867 0.32590364190371 0.07440417332727 85.468 > 41 43 Rb 0.47660532095867 0.82590364190371 0.07440417332727 85.468 > 41 44 Rb 0.97660532095867 0.82590364190371 0.07440417332727 85.468 > 41 45 Rb 0.29723686398575 0.39536361302893 0.71886314687225 85.468 > 45 46 Rb 0.79723686398575 0.39536361302893 0.71886314687225 85.468 > 45 47 Rb 0.29723686398575 0.89536361302893 0.71886314687225 85.468 > 45 48 Rb 0.79723686398575 0.89536361302893 0.71886314687225 85.468 > 45 49 Ti 0.34162013457055 0.07009616325455 0.63030321326769 47.867 > 49 50 Ti 0.84162013457055 0.07009616325455 0.63030321326769 47.867 > 49 51 Ti 0.34162013457055 0.57009616325455 0.63030321326769 47.867 > 49 52 Ti 0.84162013457055 0.57009616325455 0.63030321326769 47.867 > 49 53 Ti 0.15837986542945 0.32009616325455 0.86969678673231 47.867 > 53 54 Ti 0.65837986542945 0.32009616325455 0.86969678673231 47.867 > 53 55 Ti 0.15837986542945 0.82009616325455 0.86969678673231 47.867 > 53 56 Ti 0.65837986542945 0.82009616325455 0.86969678673231 47.867 > 53 57 Ti 0.34162013457055 0.17990383674545 0.13030321326769 47.867 > 57 58 Ti 0.84162013457055 0.17990383674545 0.13030321326769 47.867 > 57 59 Ti 0.34162013457055 0.67990383674545 0.13030321326769 47.867 > 57 60 Ti 0.84162013457055 0.67990383674545 0.13030321326769 47.867 > 57 61 Ti 0.15837986542945 0.42990383674545 0.36969678673231 47.867 > 61 62 Ti 0.65837986542945 0.42990383674545 0.36969678673231 47.867 > 61 63 Ti 0.15837986542945 0.92990383674545 0.36969678673231 47.867 > 61 64 Ti 0.65837986542945 0.92990383674545 0.36969678673231 47.867 > 61 65 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 65 66 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 65 67 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 65 68 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 65 69 O 0.12428661234453 0.45369975227278 0.20163934100109 15.999 > 69 70 O 0.62428661234453 0.45369975227278 0.20163934100109 15.999 > 69 71 O 0.12428661234453 0.95369975227278 0.20163934100109 15.999 > 69 72 O 0.62428661234453 0.95369975227278 0.20163934100109 15.999 > 69 73 O 0.25007106082077 0.35330596343166 0.42845151401382 15.999 > 73 74 O 0.75007106082077 0.35330596343166 0.42845151401382 15.999 > 73 75 O 0.25007106082077 0.85330596343166 0.42845151401382 15.999 > 73 76 O 0.75007106082077 0.85330596343166 0.42845151401382 15.999 > 73 77 O 0.02576667048882 0.33455827311395 0.86594781830927 15.999 > 77 78 O 0.52576667048882 0.33455827311395 0.86594781830927 15.999 > 77 79 O 0.02576667048882 0.83455827311395 0.86594781830927 15.999 > 77 80 O 0.52576667048882 0.83455827311395 0.86594781830927 15.999 > 77 81 O 0.47423332951118 0.08455827311395 0.63405218169073 15.999 > 81 82 O 0.97423332951118 0.08455827311395 0.63405218169073 15.999 > 81 83 O 0.47423332951118 0.58455827311395 0.63405218169073 15.999 > 81 84 O 0.97423332951118 0.58455827311395 0.63405218169073 15.999 > 81 85 O 0.24992893917923 0.10330596343166 0.07154848598618 15.999 > 85 86 O 0.74992893917923 0.10330596343166 0.07154848598618 15.999 > 85 87 O 0.24992893917923 0.60330596343166 0.07154848598618 15.999 > 85 88 O 0.74992893917923 0.60330596343166 0.07154848598618 15.999 > 85 89 O 0.37571338765547 0.20369975227278 0.29836065899891 15.999 > 89 90 O 0.87571338765547 0.20369975227278 0.29836065899891 15.999 > 89 91 O 0.37571338765547 0.70369975227278 0.29836065899891 15.999 > 89 92 O 0.87571338765547 0.70369975227278 0.29836065899891 15.999 > 89 93 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 93 94 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 93 95 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 93 96 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 93 97 O 0.12428661234453 0.29630024772722 0.70163934100109 15.999 > 97 98 O 0.62428661234453 0.29630024772722 0.70163934100109 15.999 > 97 99 O 0.12428661234453 0.79630024772722 0.70163934100109 15.999 > 97 100 O 0.62428661234453 0.79630024772722 0.70163934100109 15.999 > 97 101 O 0.25007106082077 0.39669403656834 0.92845151401382 15.999 > 101 102 O 0.75007106082077 0.39669403656834 0.92845151401382 15.999 > 101 103 O 0.25007106082077 0.89669403656834 0.92845151401382 15.999 > 101 104 O 0.75007106082077 0.89669403656834 0.92845151401382 15.999 > 101 105 O 0.02576667048882 0.41544172688605 0.36594781830927 15.999 > 105 106 O 0.52576667048882 0.41544172688605 0.36594781830927 15.999 > 105 107 O 0.02576667048882 0.91544172688605 0.36594781830927 15.999 > 105 108 O 0.52576667048882 0.91544172688605 0.36594781830927 15.999 > 105 109 O 0.47423332951118 0.16544172688605 0.13405218169073 15.999 > 109 110 O 0.97423332951118 0.16544172688605 0.13405218169073 15.999 > 109 111 O 0.47423332951118 0.66544172688605 0.13405218169073 15.999 > 109 112 O 0.97423332951118 0.66544172688605 0.13405218169073 15.999 > 109 113 O 0.24992893917923 0.14669403656834 0.57154848598618 15.999 > 113 114 O 0.74992893917923 0.14669403656834 0.57154848598618 15.999 > 113 115 O 0.24992893917923 0.64669403656834 0.57154848598618 15.999 > 113 116 O 0.74992893917923 0.64669403656834 0.57154848598618 15.999 > 113 117 O 0.37571338765547 0.04630024772722 0.79836065899891 15.999 > 117 118 O 0.87571338765547 0.04630024772722 0.79836065899891 15.999 > 117 119 O 0.37571338765547 0.54630024772722 0.79836065899891 15.999 > 117 120 O 0.87571338765547 0.54630024772722 0.79836065899891 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9811068 0.0000000 0.0042519 0.0000000 2.9417977 0.0000000 0.0042544 0.0000000 2.9826015 -------------------------- Born effective charges -------------------------- 1 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 2 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 3 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 4 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 5 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 6 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 7 Rb 1.3535500 -0.1358876 -0.0281444 -0.1340381 1.1481584 -0.0915616 0.0508726 -0.0864884 1.1505693 8 Rb 1.2885928 -0.0923612 -0.0701091 -0.1501009 1.1197310 0.1443331 -0.1284082 0.1759068 1.2014926 9 Rb 1.1259690 -0.0702566 0.0346634 -0.0855807 1.4027615 0.0215766 0.0430381 -0.0349558 1.2326488 10 Rb 1.1259690 0.0702566 0.0346634 0.0855807 1.4027615 -0.0215766 0.0430381 0.0349558 1.2326488 11 Rb 1.3535500 0.1358876 -0.0281444 0.1340381 1.1481584 0.0915616 0.0508726 0.0864884 1.1505693 12 Rb 1.2885928 0.0923612 -0.0701091 0.1501009 1.1197310 -0.1443331 -0.1284082 -0.1759068 1.2014926 13 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 14 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 15 Ti 2.9072619 -0.0287032 0.0775294 -0.0548807 2.8889732 -0.1249789 0.0354888 -0.1272001 3.1134751 16 Ti 2.9072619 0.0287032 0.0775294 0.0548807 2.8889732 0.1249789 0.0354888 0.1272001 3.1134751 17 O -0.9728629 -0.5002777 -0.5514046 -0.5108101 -2.7258646 -1.6184501 -0.5938727 -1.5728358 -2.4359756 18 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 19 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 20 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 21 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 22 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 23 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 24 O -0.9728629 0.5002777 -0.5514046 0.5108101 -2.7258646 1.6184501 -0.5938727 1.5728358 -2.4359756 25 O -1.3849525 0.1207884 0.5275876 0.1160562 -1.4450708 -0.3905773 0.5927641 -0.4271477 -2.8023910 26 O -1.7485026 -0.6403495 -0.3075396 -0.6948734 -2.4215384 -0.4982983 -0.2727480 -0.3944569 -1.4267816 27 O -3.0554871 -0.3034181 0.0417151 -0.3330000 -1.3300826 -0.1019835 -0.0240711 -0.0947225 -1.2510253 28 O -3.0554871 0.3034181 0.0417151 0.3330000 -1.3300826 0.1019835 -0.0240711 0.0947225 -1.2510253 29 O -1.7485026 0.6403495 -0.3075396 0.6948734 -2.4215384 0.4982983 -0.2727480 0.3944569 -1.4267816 30 O -1.3849525 -0.1207884 0.5275876 -0.1160562 -1.4450708 0.3905773 0.5927641 0.4271477 -2.8023910 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 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: 0.48, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 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 0.609 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 20.358 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 21.031 ( 0.000 0.000 0.000) 0.000 21.131 ( 0.000 0.000 0.000) 0.000 21.137 ( 0.000 0.000 0.000) 0.000 21.190 ( 0.000 0.000 0.000) 0.000 21.369 ( 0.000 0.000 0.000) 0.000 21.471 ( 0.000 0.000 0.000) 0.000 22.749 ( 0.000 0.000 0.000) 0.000 22.853 ( 0.000 0.000 0.000) 0.000 22.864 ( 0.000 0.000 0.000) 0.000 24.008 ( 0.000 0.000 0.000) 0.000 24.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 20.658 0.000 1.939) 20.749 0.426 ( 16.291 0.000 11.887) 20.167 0.683 ( -0.423 0.000 14.137) 14.144 0.727 ( 30.521 0.000 20.770) 36.918 1.390 ( -3.357 0.000 1.960) 3.887 1.404 ( 1.661 0.000 -4.569) 4.861 1.477 ( -1.187 0.000 3.375) 3.578 1.569 ( 2.690 0.000 -1.577) 3.118 1.647 ( -3.186 0.000 -4.338) 5.382 1.775 ( -0.617 0.000 -3.197) 3.255 1.786 ( 1.574 0.000 -0.769) 1.752 1.923 ( 2.103 0.000 -5.102) 5.518 1.949 ( 3.208 0.000 0.616) 3.266 2.047 ( 1.188 0.000 -2.882) 3.117 2.053 ( -2.357 0.000 -1.705) 2.910 2.104 ( 0.390 0.000 -0.659) 0.766 2.155 ( 1.963 0.000 0.826) 2.130 2.222 ( -1.984 0.000 0.771) 2.128 2.235 ( 2.792 0.000 4.015) 4.890 2.295 ( -3.654 0.000 -8.507) 9.258 2.342 ( 1.047 0.000 1.641) 1.946 2.404 ( -1.290 0.000 -4.736) 4.909 2.431 ( -0.776 0.000 0.188) 0.799 2.434 ( 2.887 0.000 5.493) 6.206 2.575 ( 1.059 0.000 1.538) 1.867 2.587 ( 4.094 0.000 1.467) 4.349 2.616 ( 0.675 0.000 5.074) 5.118 2.681 ( 1.467 0.000 -2.253) 2.688 2.732 ( -1.936 0.000 1.228) 2.293 2.783 ( -1.558 0.000 -6.696) 6.875 2.872 ( -5.271 0.000 1.395) 5.453 2.930 ( 2.043 0.000 5.302) 5.682 2.968 ( -0.239 0.000 5.296) 5.302 3.089 ( 0.948 0.000 -1.856) 2.084 3.090 ( -0.510 0.000 1.537) 1.620 3.146 ( -0.397 0.000 4.771) 4.787 3.179 ( 6.441 0.000 -4.299) 7.743 3.483 ( -6.939 0.000 -9.569) 11.820 3.486 ( 3.185 0.000 -13.128) 13.509 3.592 ( -4.684 0.000 -7.022) 8.441 3.607 ( -5.643 0.000 2.043) 6.001 3.635 ( -2.580 0.000 2.819) 3.821 3.772 ( -8.997 0.000 6.962) 11.376 3.877 ( 0.384 0.000 3.345) 3.367 3.889 ( -6.543 0.000 10.968) 12.771 4.046 ( -6.464 0.000 2.615) 6.973 4.234 ( 0.136 0.000 2.870) 2.874 4.374 ( 0.567 0.000 -0.056) 0.570 4.499 ( 1.055 0.000 0.083) 1.059 4.792 ( -1.551 0.000 -4.466) 4.727 4.793 ( 2.597 0.000 4.411) 5.118 5.145 ( 7.659 0.000 -10.834) 13.268 5.351 ( -0.863 0.000 -1.342) 1.596 5.521 ( -2.624 0.000 -11.283) 11.584 5.844 ( 1.199 0.000 11.729) 11.790 6.376 ( 4.517 0.000 5.498) 7.116 6.420 ( 2.827 0.000 -1.784) 3.343 6.716 ( -7.424 0.000 -3.277) 8.115 6.883 ( -0.263 0.000 1.259) 1.286 7.136 ( -7.106 0.000 -5.388) 8.918 8.410 ( 1.315 0.000 -2.114) 2.490 8.451 ( 5.944 0.000 -0.073) 5.945 8.595 ( 8.601 0.000 1.836) 8.794 8.726 ( -0.042 0.000 -6.803) 6.803 8.924 ( 0.677 0.000 0.881) 1.111 8.973 ( 2.471 0.000 5.166) 5.726 9.201 ( 4.774 0.000 5.265) 7.107 9.506 ( -6.723 0.000 9.453) 11.600 9.586 ( 1.052 0.000 -2.580) 2.786 9.834 ( -4.197 0.000 1.349) 4.409 9.901 ( -3.534 0.000 2.273) 4.202 10.053 ( -0.258 0.000 -2.244) 2.259 10.234 ( -2.650 0.000 -5.239) 5.871 10.273 ( -5.414 0.000 -1.515) 5.622 12.577 ( 0.399 0.000 2.227) 2.262 12.895 ( -3.041 0.000 -1.729) 3.498 20.349 ( -1.394 0.000 0.458) 1.468 20.657 ( -13.679 0.000 10.691) 17.361 21.055 ( -1.053 0.000 -0.175) 1.067 21.087 ( 5.792 0.000 -0.965) 5.872 21.214 ( 3.773 0.000 -1.594) 4.096 21.245 ( 6.185 0.000 -4.576) 7.693 21.387 ( 15.255 0.000 -13.026) 20.059 21.449 ( 9.306 0.000 2.783) 9.713 22.669 ( -1.698 0.000 -3.105) 3.539 22.715 ( -5.776 0.000 2.578) 6.325 22.837 ( -1.582 0.000 0.052) 1.583 22.873 ( 0.402 0.000 0.755) 0.855 24.024 ( -0.772 0.000 0.496) 0.917 24.367 ( -10.328 0.000 9.747) 14.201 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 19.991 0.000 3.179) 20.242 0.732 ( 6.494 0.000 10.545) 12.384 0.914 ( 8.988 0.000 14.322) 16.909 1.367 ( -3.540 0.000 4.608) 5.811 1.376 ( 8.766 0.000 4.638) 9.918 1.422 ( 18.596 0.000 5.053) 19.270 1.452 ( -6.094 0.000 0.594) 6.122 1.605 ( 4.672 0.000 -3.155) 5.637 1.616 ( 6.288 0.000 2.523) 6.775 1.723 ( -2.204 0.000 -1.298) 2.558 1.800 ( 1.212 0.000 -0.825) 1.466 1.906 ( 2.691 0.000 -5.400) 6.034 1.993 ( -2.265 0.000 -5.221) 5.691 2.011 ( 1.122 0.000 -1.079) 1.557 2.038 ( 2.220 0.000 -2.839) 3.604 2.078 ( -3.259 0.000 -2.514) 4.116 2.110 ( 0.233 0.000 0.356) 0.425 2.173 ( 0.873 0.000 -1.890) 2.082 2.242 ( 1.376 0.000 -3.761) 4.005 2.327 ( -1.829 0.000 -3.134) 3.629 2.337 ( 4.816 0.000 2.115) 5.260 2.355 ( -2.594 0.000 1.008) 2.783 2.467 ( 3.394 0.000 3.564) 4.921 2.524 ( -9.884 0.000 -2.793) 10.271 2.546 ( 0.840 0.000 5.787) 5.848 2.627 ( 2.384 0.000 3.579) 4.300 2.631 ( -0.374 0.000 -1.789) 1.828 2.694 ( 4.636 0.000 -3.701) 5.932 2.696 ( -3.451 0.000 1.994) 3.986 2.803 ( 4.352 0.000 0.713) 4.410 2.803 ( -4.848 0.000 2.683) 5.541 2.965 ( -3.519 0.000 6.358) 7.267 3.017 ( -4.341 0.000 0.450) 4.365 3.078 ( 0.326 0.000 -2.764) 2.783 3.149 ( 8.424 0.000 2.869) 8.900 3.202 ( -7.883 0.000 -3.571) 8.654 3.213 ( 0.205 0.000 2.335) 2.344 3.259 ( 5.502 0.000 -12.429) 13.592 3.408 ( 1.259 0.000 -3.663) 3.873 3.420 ( -5.339 0.000 -8.465) 10.007 3.528 ( -2.587 0.000 -2.363) 3.504 3.621 ( -0.434 0.000 -2.109) 2.153 3.687 ( -6.619 0.000 1.916) 6.891 3.846 ( -10.017 0.000 6.652) 12.024 3.908 ( -3.188 0.000 6.185) 6.958 3.996 ( -2.462 0.000 2.493) 3.504 4.280 ( 0.437 0.000 4.887) 4.906 4.370 ( -1.710 0.000 0.556) 1.798 4.539 ( 3.787 0.000 -0.599) 3.835 4.701 ( -2.222 0.000 -5.994) 6.393 4.895 ( 2.628 0.000 6.012) 6.561 5.140 ( 2.672 0.000 -7.201) 7.681 5.317 ( -0.848 0.000 -2.076) 2.242 5.334 ( -6.242 0.000 -7.962) 10.117 5.995 ( 0.689 0.000 12.062) 12.082 6.439 ( 1.646 0.000 -1.652) 2.333 6.439 ( -9.727 0.000 -6.898) 11.924 6.577 ( 1.301 0.000 7.494) 7.606 6.903 ( 0.352 0.000 2.258) 2.285 6.978 ( -4.378 0.000 -4.487) 6.268 8.399 ( 1.102 0.000 -3.485) 3.655 8.568 ( 7.140 0.000 -1.150) 7.232 8.649 ( 0.598 0.000 -5.674) 5.706 8.781 ( 10.329 0.000 2.357) 10.595 8.975 ( 2.789 0.000 3.249) 4.281 9.083 ( 3.324 0.000 6.095) 6.942 9.347 ( 5.210 0.000 5.209) 7.368 9.497 ( -2.531 0.000 2.444) 3.519 9.556 ( -1.017 0.000 -3.795) 3.929 9.773 ( -6.100 0.000 3.613) 7.090 9.831 ( -8.314 0.000 2.029) 8.558 10.027 ( 0.715 0.000 -3.257) 3.335 10.113 ( -3.848 0.000 -5.763) 6.929 10.136 ( -7.619 0.000 -2.493) 8.016 12.614 ( 0.388 0.000 3.071) 3.095 12.808 ( -4.189 0.000 -2.603) 4.932 20.327 ( -2.109 0.000 0.981) 2.326 20.549 ( -8.216 0.000 2.938) 8.726 21.089 ( 5.077 0.000 -0.739) 5.130 21.168 ( 5.649 0.000 -1.293) 5.796 21.257 ( 2.285 0.000 -3.628) 4.287 21.262 ( 4.771 0.000 -2.890) 5.578 21.544 ( 11.974 0.000 0.153) 11.975 21.670 ( 13.413 0.000 -0.640) 13.429 22.584 ( -5.719 0.000 -1.169) 5.837 22.637 ( -8.525 0.000 6.440) 10.684 22.816 ( -1.006 0.000 0.283) 1.045 22.885 ( -0.172 0.000 0.879) 0.896 24.008 ( -1.681 0.000 0.088) 1.683 24.285 ( -6.728 0.000 1.245) 6.842 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 6.506 0.000 9.079) 11.170 1.055 ( 16.885 0.000 4.088) 17.373 1.183 ( 6.961 0.000 6.628) 9.612 1.267 ( -11.364 0.000 -4.943) 12.392 1.394 ( 1.437 0.000 5.719) 5.896 1.424 ( 5.362 0.000 -3.473) 6.388 1.608 ( 4.289 0.000 0.006) 4.289 1.634 ( -0.274 0.000 1.015) 1.052 1.697 ( 1.660 0.000 -1.799) 2.448 1.747 ( -5.549 0.000 -2.613) 6.133 1.838 ( 3.126 0.000 -2.641) 4.093 1.888 ( 0.711 0.000 -3.493) 3.565 1.995 ( 1.728 0.000 1.416) 2.234 2.058 ( 1.266 0.000 -0.312) 1.304 2.076 ( 2.850 0.000 -0.366) 2.873 2.109 ( 0.399 0.000 -1.001) 1.078 2.162 ( 1.174 0.000 -2.309) 2.590 2.176 ( -0.459 0.000 -2.304) 2.350 2.186 ( 16.505 0.000 11.394) 20.056 2.289 ( -4.503 0.000 0.002) 4.503 2.339 ( 3.826 0.000 -0.797) 3.908 2.353 ( -4.852 0.000 -1.745) 5.157 2.430 ( 1.812 0.000 -0.880) 2.014 2.520 ( -5.876 0.000 1.380) 6.036 2.544 ( -5.786 0.000 -2.781) 6.419 2.559 ( 3.950 0.000 1.332) 4.169 2.665 ( -4.247 0.000 3.255) 5.351 2.722 ( 1.259 0.000 0.073) 1.261 2.728 ( 2.357 0.000 3.491) 4.212 2.812 ( 1.613 0.000 2.544) 3.013 2.839 ( -0.096 0.000 -2.545) 2.547 2.930 ( -3.943 0.000 0.651) 3.996 2.989 ( -1.958 0.000 5.832) 6.152 2.997 ( -5.001 0.000 -3.459) 6.080 3.060 ( 0.194 0.000 -0.750) 0.774 3.140 ( -1.516 0.000 -7.394) 7.548 3.264 ( -2.945 0.000 -5.028) 5.827 3.298 ( 2.691 0.000 2.589) 3.734 3.299 ( 9.404 0.000 -11.621) 14.949 3.455 ( 1.402 0.000 1.239) 1.871 3.483 ( 0.099 0.000 -2.021) 2.023 3.553 ( -4.767 0.000 -2.479) 5.373 3.641 ( -1.540 0.000 3.915) 4.207 3.760 ( -8.861 0.000 6.654) 11.081 3.911 ( -3.083 0.000 3.906) 4.976 4.003 ( 0.326 0.000 1.899) 1.927 4.335 ( -3.357 0.000 0.866) 3.467 4.356 ( 0.638 0.000 7.245) 7.273 4.589 ( 3.364 0.000 -1.292) 3.603 4.608 ( -1.140 0.000 -5.172) 5.296 4.999 ( 1.845 0.000 5.468) 5.771 5.003 ( -4.901 0.000 -13.445) 14.310 5.230 ( -1.121 0.000 -0.473) 1.217 5.290 ( 0.503 0.000 -1.546) 1.626 6.106 ( 0.438 0.000 6.255) 6.270 6.143 ( -11.615 0.000 -8.504) 14.395 6.445 ( -0.168 0.000 1.143) 1.155 6.709 ( 1.191 0.000 6.925) 7.027 6.906 ( -0.164 0.000 -1.891) 1.898 6.938 ( 0.795 0.000 2.124) 2.268 8.376 ( 0.651 0.000 -3.012) 3.082 8.540 ( 0.545 0.000 -7.743) 7.762 8.727 ( 5.768 0.000 2.183) 6.167 8.956 ( 8.137 0.000 1.604) 8.294 9.071 ( 3.132 0.000 4.590) 5.556 9.205 ( 2.172 0.000 7.777) 8.075 9.452 ( -2.662 0.000 -4.421) 5.160 9.459 ( 3.223 0.000 1.998) 3.792 9.494 ( -0.678 0.000 -2.652) 2.737 9.688 ( -9.345 0.000 -0.404) 9.354 9.718 ( -5.239 0.000 2.739) 5.912 9.932 ( -7.166 0.000 -2.672) 7.648 10.017 ( -1.643 0.000 -2.870) 3.307 10.071 ( 1.671 0.000 -1.525) 2.263 12.649 ( 0.149 0.000 2.418) 2.422 12.721 ( -3.035 0.000 -2.048) 3.662 20.308 ( -1.637 0.000 1.188) 2.022 20.463 ( -4.599 0.000 0.692) 4.651 21.173 ( 6.277 0.000 -1.941) 6.570 21.240 ( 4.166 0.000 -0.425) 4.188 21.263 ( 1.467 0.000 -0.747) 1.646 21.302 ( 3.560 0.000 -2.330) 4.255 21.754 ( 11.179 0.000 2.808) 11.526 21.796 ( 5.253 0.000 -5.045) 7.284 22.463 ( -7.598 0.000 -0.853) 7.646 22.627 ( -2.866 0.000 9.323) 9.753 22.812 ( -0.175 0.000 0.594) 0.619 22.884 ( -0.710 0.000 0.427) 0.829 23.973 ( -1.961 0.000 -0.682) 2.076 24.191 ( -4.516 0.000 -1.101) 4.649 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -6.246 0.000 -3.956) 7.393 1.119 ( 5.176 0.000 4.165) 6.644 1.259 ( -0.864 0.000 2.304) 2.461 1.313 ( 8.779 0.000 2.145) 9.037 1.492 ( 6.468 0.000 -2.254) 6.849 1.529 ( 7.198 0.000 0.112) 7.199 1.599 ( -7.532 0.000 2.751) 8.019 1.635 ( -2.428 0.000 4.022) 4.698 1.678 ( 0.516 0.000 -1.820) 1.891 1.727 ( 3.610 0.000 0.015) 3.610 1.829 ( -4.745 0.000 -2.557) 5.390 1.881 ( 4.802 0.000 -0.290) 4.811 1.981 ( -4.223 0.000 -1.850) 4.611 2.038 ( -1.763 0.000 -0.109) 1.767 2.039 ( 0.013 0.000 -0.649) 0.649 2.130 ( 2.679 0.000 -1.593) 3.117 2.164 ( 0.668 0.000 -0.413) 0.786 2.166 ( 1.062 0.000 -1.843) 2.127 2.220 ( -3.802 0.000 0.805) 3.886 2.289 ( -0.203 0.000 1.355) 1.370 2.351 ( -3.086 0.000 -2.385) 3.901 2.366 ( -2.653 0.000 -2.379) 3.564 2.450 ( 2.621 0.000 4.382) 5.107 2.481 ( -0.763 0.000 -0.501) 0.913 2.562 ( 2.019 0.000 -1.914) 2.782 2.626 ( 2.041 0.000 0.181) 2.049 2.645 ( 0.551 0.000 2.832) 2.885 2.743 ( 0.335 0.000 -0.349) 0.483 2.752 ( -0.357 0.000 0.559) 0.664 2.791 ( -0.674 0.000 1.411) 1.564 2.854 ( 0.733 0.000 1.254) 1.452 2.941 ( -0.074 0.000 -0.090) 0.117 2.949 ( 3.292 0.000 3.175) 4.574 3.044 ( -1.454 0.000 -5.683) 5.866 3.057 ( 3.768 0.000 6.493) 7.507 3.132 ( 3.904 0.000 3.252) 5.081 3.196 ( -1.657 0.000 -0.928) 1.899 3.258 ( -6.269 0.000 -4.187) 7.539 3.314 ( 6.293 0.000 -9.051) 11.024 3.444 ( -6.174 0.000 1.012) 6.257 3.466 ( 3.014 0.000 -4.403) 5.336 3.470 ( -2.873 0.000 3.573) 4.585 3.681 ( -0.075 0.000 2.613) 2.614 3.699 ( -3.929 0.000 1.860) 4.347 3.906 ( -0.660 0.000 1.241) 1.405 4.039 ( 1.272 0.000 0.957) 1.591 4.291 ( -2.164 0.000 0.316) 2.187 4.428 ( -0.804 0.000 4.214) 4.290 4.588 ( 2.572 0.000 0.840) 2.705 4.620 ( 1.436 0.000 -0.357) 1.479 4.782 ( -4.668 0.000 -9.832) 10.883 5.050 ( -0.086 0.000 1.481) 1.483 5.225 ( -0.045 0.000 0.133) 0.140 5.304 ( 1.298 0.000 0.218) 1.316 5.940 ( -4.383 0.000 -3.430) 5.565 6.149 ( 0.179 0.000 1.221) 1.234 6.458 ( -0.360 0.000 1.448) 1.492 6.747 ( -0.912 0.000 1.550) 1.798 6.916 ( 1.046 0.000 0.279) 1.083 6.966 ( 0.397 0.000 0.869) 0.956 8.361 ( 0.271 0.000 -1.128) 1.160 8.483 ( 0.076 0.000 -3.064) 3.065 8.814 ( 2.439 0.000 0.899) 2.599 9.066 ( 3.681 0.000 0.242) 3.689 9.158 ( 1.589 0.000 3.368) 3.724 9.313 ( -0.134 0.000 8.007) 8.008 9.368 ( -1.453 0.000 -2.907) 3.250 9.451 ( 0.984 0.000 -5.856) 5.938 9.471 ( -1.593 0.000 -1.869) 2.456 9.576 ( -2.681 0.000 0.191) 2.688 9.671 ( -2.465 0.000 1.045) 2.677 9.827 ( -2.762 0.000 -0.775) 2.869 9.991 ( -0.138 0.000 -0.310) 0.339 10.086 ( 0.955 0.000 -0.411) 1.040 12.669 ( 0.014 0.000 0.892) 0.892 12.673 ( -0.995 0.000 -0.698) 1.215 20.300 ( -0.585 0.000 0.571) 0.817 20.418 ( -1.485 0.000 0.077) 1.487 21.240 ( 4.510 0.000 -1.895) 4.892 21.273 ( -1.112 0.000 1.061) 1.537 21.286 ( 1.512 0.000 0.104) 1.515 21.324 ( 1.371 0.000 -1.016) 1.707 21.776 ( -0.174 0.000 -2.819) 2.825 21.937 ( 6.659 0.000 1.857) 6.913 22.337 ( -5.462 0.000 -0.792) 5.519 22.700 ( 0.595 0.000 4.325) 4.366 22.818 ( 0.101 0.000 0.361) 0.375 22.876 ( -0.406 0.000 0.071) 0.412 23.940 ( -0.901 0.000 -0.498) 1.029 24.129 ( -1.634 0.000 -0.689) 1.773 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 20.701 0.000) 20.701 0.454 ( 0.000 20.967 0.000) 20.967 0.709 ( 0.000 8.827 0.000) 8.827 0.829 ( 0.000 37.204 0.000) 37.204 1.356 ( 0.000 -4.891 0.000) 4.891 1.386 ( 0.000 -2.131 0.000) 2.131 1.486 ( 0.000 0.068 0.000) 0.068 1.534 ( 0.000 -6.515 0.000) 6.515 1.647 ( 0.000 -5.742 0.000) 5.742 1.725 ( 0.000 -1.772 0.000) 1.772 1.790 ( 0.000 -0.283 0.000) 0.283 1.834 ( 0.000 -4.741 0.000) 4.741 1.975 ( 0.000 1.529 0.000) 1.529 2.040 ( 0.000 -1.111 0.000) 1.111 2.089 ( 0.000 -0.460 0.000) 0.460 2.108 ( 0.000 -3.675 0.000) 3.675 2.115 ( 0.000 -2.271 0.000) 2.271 2.170 ( 0.000 -2.785 0.000) 2.785 2.263 ( 0.000 5.533 0.000) 5.533 2.274 ( 0.000 -1.765 0.000) 1.765 2.340 ( 0.000 -1.935 0.000) 1.935 2.425 ( 0.000 1.178 0.000) 1.178 2.454 ( 0.000 1.505 0.000) 1.505 2.505 ( 0.000 2.287 0.000) 2.287 2.550 ( 0.000 3.676 0.000) 3.676 2.614 ( 0.000 0.619 0.000) 0.619 2.638 ( 0.000 -3.276 0.000) 3.276 2.714 ( 0.000 2.547 0.000) 2.547 2.727 ( 0.000 0.951 0.000) 0.951 2.800 ( 0.000 -1.324 0.000) 1.324 2.875 ( 0.000 -3.436 0.000) 3.436 2.941 ( 0.000 -0.073 0.000) 0.073 3.044 ( 0.000 -3.605 0.000) 3.605 3.061 ( 0.000 0.642 0.000) 0.642 3.109 ( 0.000 0.478 0.000) 0.478 3.116 ( 0.000 -1.089 0.000) 1.089 3.173 ( 0.000 1.489 0.000) 1.489 3.376 ( 0.000 -4.642 0.000) 4.642 3.513 ( 0.000 -2.272 0.000) 2.272 3.602 ( 0.000 -1.803 0.000) 1.803 3.613 ( 0.000 -2.542 0.000) 2.542 3.693 ( 0.000 1.793 0.000) 1.793 3.747 ( 0.000 0.787 0.000) 0.787 3.961 ( 0.000 -8.362 0.000) 8.362 4.080 ( 0.000 13.572 0.000) 13.572 4.220 ( 0.000 -0.547 0.000) 0.547 4.300 ( 0.000 1.398 0.000) 1.398 4.414 ( 0.000 -4.039 0.000) 4.039 4.526 ( 0.000 -0.989 0.000) 0.989 4.640 ( 0.000 -1.455 0.000) 1.455 4.775 ( 0.000 3.118 0.000) 3.118 4.855 ( 0.000 1.569 0.000) 1.569 5.204 ( 0.000 1.030 0.000) 1.030 5.719 ( 0.000 -7.734 0.000) 7.734 5.978 ( 0.000 11.112 0.000) 11.112 6.317 ( 0.000 1.172 0.000) 1.172 6.405 ( 0.000 -0.019 0.000) 0.019 6.726 ( 0.000 -6.059 0.000) 6.059 6.905 ( 0.000 2.462 0.000) 2.462 7.199 ( 0.000 -3.875 0.000) 3.875 8.378 ( 0.000 0.180 0.000) 0.180 8.393 ( 0.000 -1.158 0.000) 1.158 8.503 ( 0.000 -0.018 0.000) 0.018 8.698 ( 0.000 -5.289 0.000) 5.289 8.976 ( 0.000 3.914 0.000) 3.914 8.980 ( 0.000 5.418 0.000) 5.418 9.296 ( 0.000 -1.909 0.000) 1.909 9.409 ( 0.000 1.788 0.000) 1.788 9.577 ( 0.000 0.638 0.000) 0.638 9.890 ( 0.000 1.849 0.000) 1.849 9.956 ( 0.000 3.618 0.000) 3.618 10.108 ( 0.000 -5.643 0.000) 5.643 10.181 ( 0.000 -1.269 0.000) 1.269 10.304 ( 0.000 -2.563 0.000) 2.563 12.617 ( 0.000 4.996 0.000) 4.996 12.912 ( 0.000 -1.901 0.000) 1.901 20.514 ( 0.000 1.167 0.000) 1.167 20.676 ( 0.000 -2.462 0.000) 2.462 20.941 ( 0.000 0.213 0.000) 0.213 21.023 ( 0.000 -1.125 0.000) 1.125 21.153 ( 0.000 1.391 0.000) 1.391 21.185 ( 0.000 0.344 0.000) 0.344 21.277 ( 0.000 0.973 0.000) 0.973 21.442 ( 0.000 -2.630 0.000) 2.630 22.716 ( 0.000 -0.484 0.000) 0.484 22.738 ( 0.000 -0.926 0.000) 0.926 22.864 ( 0.000 0.908 0.000) 0.908 22.872 ( 0.000 0.710 0.000) 0.710 24.036 ( 0.000 2.602 0.000) 2.602 24.294 ( 0.000 -3.135 0.000) 3.135 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 9.098 14.586 6.363) 18.331 0.591 ( 14.594 12.604 4.146) 19.725 0.758 ( -2.100 9.244 9.946) 13.740 1.086 ( 17.591 23.935 10.801) 31.607 1.338 ( -0.162 -2.312 0.397) 2.352 1.397 ( -2.024 -3.943 0.765) 4.497 1.467 ( 1.085 -2.995 -2.930) 4.329 1.516 ( -2.552 -4.592 -2.574) 5.850 1.579 ( 2.701 -0.812 -0.526) 2.869 1.763 ( 0.500 -1.157 -1.535) 1.986 1.810 ( -1.185 0.130 -0.011) 1.193 1.858 ( 4.589 -3.809 0.628) 5.997 1.958 ( 1.449 1.316 -3.634) 4.128 1.995 ( -1.993 -1.622 -3.668) 4.478 2.060 ( 2.111 -1.081 -2.879) 3.730 2.110 ( 1.325 -1.004 -2.007) 2.607 2.151 ( -0.781 -1.476 0.331) 1.703 2.190 ( 3.133 -3.387 0.662) 4.662 2.265 ( -1.408 3.480 -0.107) 3.755 2.273 ( 0.152 -1.282 -1.766) 2.188 2.343 ( -0.289 -2.199 -0.079) 2.219 2.401 ( -3.653 -0.006 2.331) 4.333 2.438 ( -0.674 0.080 1.883) 2.001 2.487 ( -0.006 1.144 -1.502) 1.888 2.538 ( -2.228 1.801 -2.304) 3.676 2.623 ( 1.410 1.469 3.750) 4.268 2.634 ( 1.170 0.794 -0.553) 1.518 2.687 ( 1.159 0.378 -0.795) 1.455 2.775 ( -0.881 2.500 1.366) 2.981 2.782 ( -0.991 -0.649 -6.528) 6.634 2.882 ( 1.114 -0.261 3.005) 3.216 2.957 ( -2.592 0.811 5.638) 6.258 3.003 ( -0.306 2.505 -0.339) 2.546 3.067 ( 1.457 -1.900 -0.339) 2.419 3.090 ( -2.339 0.319 -3.034) 3.844 3.113 ( -0.263 -0.942 2.300) 2.499 3.163 ( 4.692 -1.949 -1.832) 5.401 3.396 ( -0.771 -5.672 -0.919) 5.798 3.472 ( -3.020 -0.521 -4.787) 5.684 3.500 ( 1.889 -2.637 -9.300) 9.850 3.570 ( -1.780 -0.829 -4.911) 5.289 3.697 ( -1.613 1.174 1.332) 2.399 3.823 ( -3.318 -1.530 12.463) 12.988 3.924 ( -8.362 -0.023 3.694) 9.142 3.990 ( -9.720 4.936 -4.192) 11.680 4.084 ( -9.817 8.199 3.037) 13.146 4.251 ( 0.259 1.576 2.769) 3.197 4.362 ( -0.712 -1.424 0.176) 1.602 4.485 ( 2.272 -0.399 -1.188) 2.594 4.795 ( 0.950 1.722 -1.001) 2.206 4.832 ( -0.851 1.807 0.333) 2.025 4.969 ( 14.284 -12.732 -2.879) 19.350 5.223 ( -0.126 -0.545 2.822) 2.877 5.575 ( -7.123 -3.864 -10.484) 13.250 6.001 ( -2.461 11.123 9.090) 14.574 6.385 ( 2.644 0.454 2.138) 3.430 6.418 ( 4.978 0.258 0.651) 5.027 6.673 ( -5.913 -5.408 -0.494) 8.028 6.891 ( 0.295 2.660 -1.604) 3.120 7.148 ( -6.038 -0.555 -2.654) 6.619 8.399 ( 1.940 -0.777 -1.830) 2.778 8.433 ( 5.431 -1.066 0.577) 5.565 8.588 ( 7.463 -0.776 1.571) 7.666 8.690 ( 1.811 -3.100 -3.722) 5.172 8.973 ( 0.023 3.320 -0.197) 3.326 9.037 ( 3.642 5.644 2.759) 7.261 9.194 ( -0.121 -0.343 -1.407) 1.453 9.512 ( 0.692 -0.911 5.011) 5.140 9.571 ( 0.442 -0.094 -1.599) 1.661 9.829 ( -6.417 0.453 2.239) 6.811 9.929 ( -5.252 2.067 2.086) 6.017 10.031 ( -0.899 -1.871 -4.442) 4.903 10.203 ( -2.091 -2.679 -0.408) 3.423 10.251 ( -4.765 -1.991 -2.212) 5.618 12.625 ( -0.761 4.633 3.034) 5.590 12.901 ( -3.324 -0.855 1.037) 3.585 20.442 ( -1.921 5.131 -3.473) 6.487 20.631 ( -8.945 -2.178 5.411) 10.679 21.027 ( 0.425 -1.327 -0.312) 1.428 21.069 ( 11.633 -5.955 -4.017) 13.672 21.152 ( 6.453 3.808 -2.433) 7.878 21.233 ( 2.482 1.427 1.760) 3.361 21.420 ( 12.548 -1.795 0.470) 12.684 21.464 ( 4.424 -0.375 -1.944) 4.847 22.629 ( -7.033 -0.514 0.251) 7.056 22.729 ( -4.006 -0.974 1.687) 4.455 22.854 ( -1.342 1.114 0.054) 1.745 22.882 ( 0.412 0.600 0.875) 1.138 24.024 ( -0.970 1.419 0.124) 1.723 24.294 ( -4.314 -4.707 3.833) 7.447 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 13.880 8.851 3.120) 16.755 0.862 ( 1.952 8.459 12.208) 14.980 0.923 ( 13.125 3.235 11.665) 17.855 1.315 ( -0.022 -4.723 1.015) 4.831 1.325 ( -2.373 -6.547 1.632) 7.153 1.444 ( 5.852 -2.221 -6.500) 9.024 1.498 ( 0.184 1.470 2.620) 3.010 1.564 ( 13.013 9.987 4.980) 17.142 1.666 ( 4.003 -1.802 3.369) 5.533 1.744 ( -1.088 0.011 -0.330) 1.137 1.779 ( 0.841 -0.817 -1.089) 1.600 1.927 ( 3.997 0.711 -1.663) 4.387 1.937 ( 0.683 -3.531 -4.056) 5.421 1.967 ( 3.464 1.299 -0.232) 3.707 2.030 ( -2.447 2.152 -4.601) 5.638 2.094 ( 0.643 -0.702 -2.920) 3.072 2.139 ( 1.006 -0.396 -2.029) 2.299 2.200 ( 1.926 -0.680 -5.897) 6.240 2.221 ( -1.050 1.586 -0.944) 2.124 2.295 ( 0.782 -1.900 -1.149) 2.354 2.313 ( 0.134 -1.967 0.560) 2.050 2.391 ( -1.648 0.745 2.968) 3.475 2.458 ( 1.654 -4.103 4.213) 6.109 2.499 ( -7.067 -0.107 0.070) 7.068 2.540 ( 3.381 -4.450 1.518) 5.791 2.613 ( 1.591 4.207 1.896) 4.882 2.629 ( -1.692 -0.309 -1.903) 2.565 2.686 ( 0.387 1.767 -2.394) 3.000 2.733 ( -1.084 0.324 -0.618) 1.290 2.792 ( 1.412 3.750 2.104) 4.526 2.868 ( -2.781 0.650 -0.299) 2.871 2.979 ( -3.143 1.802 6.328) 7.292 3.006 ( -2.747 0.108 -0.958) 2.911 3.062 ( 0.669 -1.017 -1.964) 2.311 3.120 ( 2.351 -2.483 3.040) 4.575 3.152 ( 3.538 -1.804 -2.736) 4.823 3.216 ( 4.450 -1.198 -1.001) 4.716 3.296 ( -3.229 -0.899 -4.993) 6.014 3.381 ( -2.000 -1.012 -2.336) 3.237 3.458 ( 3.236 -1.299 -7.917) 8.651 3.520 ( -0.359 3.985 -1.611) 4.313 3.655 ( -2.150 1.244 -3.117) 3.986 3.755 ( -10.294 7.249 -0.812) 12.617 3.833 ( -11.790 -1.586 7.115) 13.862 3.882 ( -3.199 -2.163 7.223) 8.190 4.015 ( -3.338 1.567 0.814) 3.777 4.297 ( 0.021 1.307 4.668) 4.848 4.350 ( -1.415 -1.505 0.790) 2.212 4.524 ( 3.710 -0.970 -1.414) 4.087 4.732 ( -1.786 2.971 -5.334) 6.361 4.882 ( 1.588 -1.427 3.556) 4.147 5.040 ( 2.278 -9.999 -6.570) 12.179 5.236 ( -0.977 -1.288 0.782) 1.796 5.361 ( -5.329 -1.103 -6.813) 8.720 6.079 ( -2.080 6.767 10.951) 13.041 6.411 ( 0.293 1.185 -3.448) 3.658 6.520 ( -7.909 -3.168 2.531) 8.888 6.564 ( 3.518 2.410 2.899) 5.156 6.889 ( 0.671 0.734 -0.055) 0.996 7.002 ( -4.463 1.933 -4.958) 6.945 8.406 ( 2.028 0.733 -2.877) 3.595 8.554 ( 7.317 -2.313 1.670) 7.854 8.627 ( 1.988 0.163 -6.405) 6.709 8.785 ( 9.109 -1.295 1.499) 9.321 8.982 ( 0.702 2.110 1.602) 2.740 9.143 ( 4.601 4.636 4.559) 7.965 9.251 ( 3.139 -6.421 3.349) 7.893 9.518 ( -2.767 0.591 0.367) 2.853 9.558 ( 1.040 -1.106 -4.062) 4.336 9.759 ( -6.120 -1.075 3.556) 7.159 9.838 ( -8.583 1.325 3.392) 9.323 9.990 ( -0.112 -2.979 -3.616) 4.686 10.109 ( -4.972 -0.227 -5.880) 7.704 10.135 ( -5.404 -0.400 -0.312) 5.428 12.652 ( -0.821 3.536 3.750) 5.219 12.828 ( -5.008 0.890 -0.939) 5.172 20.393 ( -1.786 5.073 -0.443) 5.396 20.547 ( -6.176 -0.264 2.547) 6.686 21.053 ( 3.286 -1.377 -0.401) 3.586 21.170 ( 6.506 -4.387 -4.147) 8.875 21.244 ( 5.938 2.731 -2.030) 6.844 21.301 ( 5.727 4.615 -0.569) 7.377 21.545 ( 6.011 -2.417 1.570) 6.666 21.658 ( 16.552 -1.069 -2.506) 16.775 22.517 ( -8.030 -2.319 2.470) 8.715 22.657 ( -7.963 -0.853 3.834) 8.879 22.833 ( -1.203 1.503 0.460) 1.979 22.897 ( -0.152 0.679 1.192) 1.381 24.006 ( -1.450 0.505 0.008) 1.535 24.234 ( -5.154 -4.183 0.035) 6.638 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 6.703 4.575 6.155) 10.185 1.114 ( 8.215 4.987 9.326) 13.391 1.203 ( 5.408 1.446 2.829) 6.272 1.256 ( -0.513 -1.456 2.240) 2.721 1.376 ( 1.965 -0.196 2.490) 3.178 1.480 ( 8.656 3.501 -5.131) 10.654 1.546 ( 1.182 -2.244 3.792) 4.562 1.649 ( -4.162 -1.796 1.150) 4.676 1.691 ( 0.155 1.860 0.063) 1.868 1.735 ( 1.013 -2.423 -1.691) 3.123 1.813 ( 1.486 -1.917 -3.229) 4.038 1.895 ( 0.038 0.776 -3.419) 3.506 1.949 ( 2.510 -3.193 -1.626) 4.375 1.999 ( 2.479 -2.087 -1.186) 3.451 2.060 ( -0.363 -1.380 -2.482) 2.863 2.107 ( 0.542 -2.493 -2.865) 3.836 2.149 ( -0.476 0.790 -4.619) 4.710 2.191 ( 3.756 1.148 3.283) 5.119 2.224 ( 7.939 1.499 3.465) 8.791 2.270 ( -0.525 -1.312 -0.254) 1.436 2.331 ( -0.709 -0.276 1.361) 1.559 2.361 ( -4.370 1.202 0.246) 4.539 2.483 ( 4.912 1.610 -0.228) 5.174 2.497 ( -2.715 -2.213 2.081) 4.074 2.531 ( -4.781 -0.440 -2.779) 5.547 2.598 ( -1.375 -0.374 1.089) 1.794 2.629 ( 1.672 -2.800 -3.148) 4.533 2.694 ( 0.776 2.237 1.925) 3.052 2.757 ( 2.254 2.458 4.414) 5.532 2.813 ( -1.809 1.039 0.462) 2.136 2.846 ( 1.906 0.468 -0.642) 2.065 2.951 ( -1.945 -2.792 -1.946) 3.920 3.004 ( -1.142 4.092 4.316) 6.056 3.016 ( -2.400 3.534 1.152) 4.425 3.119 ( 2.235 1.261 -4.020) 4.769 3.142 ( -0.678 1.419 -2.842) 3.248 3.230 ( -1.959 -1.313 -3.680) 4.371 3.268 ( 0.365 -1.641 2.836) 3.297 3.412 ( 3.613 -0.041 -0.021) 3.613 3.423 ( 3.031 -0.485 -5.518) 6.314 3.493 ( -0.229 6.995 -4.024) 8.073 3.577 ( -3.334 1.117 -2.303) 4.203 3.641 ( -3.372 0.364 2.049) 3.962 3.749 ( -7.793 -0.528 5.649) 9.639 3.884 ( -4.201 -2.668 4.739) 6.872 3.985 ( -1.287 -2.041 0.763) 2.531 4.317 ( -2.584 -1.060 1.623) 3.230 4.361 ( -0.645 0.011 5.076) 5.117 4.567 ( 3.241 -1.787 -1.031) 3.842 4.652 ( -0.510 3.590 -5.151) 6.299 4.859 ( -3.419 -8.807 -9.161) 13.159 5.003 ( 0.492 -2.410 2.840) 3.757 5.225 ( -0.534 -0.013 0.404) 0.670 5.279 ( -0.539 -1.039 -1.797) 2.144 6.149 ( -2.624 4.020 6.565) 8.133 6.244 ( -8.049 6.971 -6.057) 12.250 6.469 ( -1.559 1.398 1.396) 2.517 6.676 ( 1.670 -2.804 5.154) 6.101 6.911 ( 0.962 -1.451 1.153) 2.089 6.922 ( 0.042 1.148 -3.411) 3.599 8.406 ( 1.687 2.710 -2.323) 3.948 8.574 ( 0.439 1.677 -5.612) 5.874 8.689 ( 6.158 -1.050 1.096) 6.343 8.928 ( 6.565 -3.715 0.899) 7.597 9.037 ( 2.022 -0.159 4.160) 4.628 9.272 ( 4.238 3.150 4.274) 6.793 9.320 ( 0.948 -6.945 2.935) 7.599 9.451 ( -2.606 -3.253 -4.052) 5.813 9.516 ( 0.042 1.794 -3.676) 4.091 9.701 ( -6.062 -0.938 3.647) 7.136 9.745 ( -6.779 2.411 1.579) 7.367 9.911 ( -4.582 -2.955 -1.694) 5.710 9.967 ( -3.664 -0.295 -5.904) 6.955 10.106 ( 1.065 0.884 0.167) 1.394 12.673 ( -0.921 2.141 2.683) 3.554 12.740 ( -3.781 1.306 -1.410) 4.242 20.372 ( -1.212 5.349 0.832) 5.548 20.490 ( -3.416 2.145 1.350) 4.253 21.107 ( 3.467 -2.382 -0.465) 4.232 21.208 ( 3.381 -2.787 -2.817) 5.210 21.287 ( 2.585 -0.491 -1.462) 3.010 21.410 ( 7.410 9.988 -0.910) 12.469 21.645 ( 3.895 -7.654 -0.328) 8.594 21.868 ( 12.488 2.795 -2.955) 13.134 22.440 ( -4.796 -1.866 1.836) 5.464 22.581 ( -7.506 -3.322 7.223) 10.934 22.827 ( -0.420 1.440 0.667) 1.642 22.901 ( -0.629 0.893 0.984) 1.470 23.977 ( -1.616 0.538 -0.644) 1.821 24.148 ( -3.860 -3.564 -1.514) 5.467 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -4.204 4.736 -0.835) 6.387 1.160 ( 6.107 2.920 2.075) 7.080 1.252 ( -1.689 1.463 5.108) 5.576 1.418 ( 7.127 6.321 2.948) 9.972 1.454 ( 7.238 -0.472 -3.048) 7.868 1.558 ( -5.674 -0.087 2.333) 6.136 1.582 ( 1.325 2.662 1.212) 3.211 1.626 ( 4.665 -2.314 -1.689) 5.474 1.709 ( 2.301 -2.273 1.319) 3.493 1.714 ( -1.102 2.721 0.729) 3.025 1.814 ( 1.592 -5.018 -0.881) 5.337 1.850 ( -4.102 1.762 -1.757) 4.797 1.963 ( 1.273 -1.956 -2.596) 3.491 1.974 ( -1.206 -3.569 -0.673) 3.827 2.032 ( -2.875 -0.053 0.302) 2.892 2.075 ( 0.496 -4.465 -2.962) 5.381 2.146 ( 2.991 1.260 -0.797) 3.342 2.203 ( 1.036 -0.299 0.660) 1.264 2.253 ( -0.140 -0.168 1.874) 1.887 2.297 ( -1.577 2.359 0.448) 2.873 2.329 ( -4.567 -0.307 -1.800) 4.918 2.352 ( -1.711 -2.849 -1.002) 3.471 2.439 ( 0.170 0.336 1.954) 1.989 2.484 ( 1.576 -0.222 -0.097) 1.594 2.518 ( -1.413 -2.901 -5.728) 6.575 2.563 ( -0.150 -2.740 1.747) 3.253 2.693 ( 4.987 -1.793 2.029) 5.675 2.726 ( 0.465 2.501 1.033) 2.745 2.802 ( 0.068 1.054 2.211) 2.450 2.819 ( -0.082 0.322 -0.685) 0.761 2.861 ( 0.811 4.314 -0.441) 4.412 2.925 ( 0.187 -1.585 -0.365) 1.637 2.997 ( -1.882 3.105 3.363) 4.949 3.031 ( -0.134 1.790 -6.626) 6.865 3.104 ( 4.077 3.519 5.108) 7.423 3.163 ( -0.936 -3.889 -0.177) 4.004 3.215 ( -0.427 1.615 -0.741) 1.828 3.298 ( 2.343 6.948 5.210) 8.994 3.351 ( -1.901 -4.159 -3.045) 5.494 3.441 ( 0.708 8.688 -6.183) 10.687 3.474 ( 1.495 2.201 -0.676) 2.745 3.522 ( -1.725 1.596 -0.434) 2.389 3.641 ( -0.344 -3.172 1.205) 3.410 3.682 ( -5.321 -1.099 2.416) 5.946 3.869 ( -1.280 -3.487 1.371) 3.960 3.986 ( 0.331 -4.664 0.226) 4.681 4.288 ( -1.520 -0.170 0.321) 1.563 4.400 ( -0.838 -2.428 3.484) 4.328 4.592 ( 1.253 -1.253 -0.985) 2.027 4.624 ( 1.246 -2.471 -1.940) 3.380 4.709 ( -2.851 0.054 -4.808) 5.590 5.044 ( 0.314 -1.902 1.654) 2.540 5.226 ( -0.175 0.124 0.502) 0.546 5.269 ( 0.395 -2.561 -0.560) 2.651 6.042 ( -4.260 7.968 -2.890) 9.486 6.217 ( -0.178 5.219 2.358) 5.730 6.462 ( -0.619 0.656 0.679) 1.129 6.718 ( -0.400 -2.744 1.480) 3.143 6.908 ( 0.660 -0.622 -0.798) 1.208 6.938 ( 0.674 -2.211 0.443) 2.354 8.412 ( 0.869 4.455 -0.685) 4.590 8.528 ( -0.155 3.241 -2.483) 4.086 8.767 ( 2.216 -2.049 0.356) 3.039 9.012 ( 2.400 -4.882 0.622) 5.476 9.114 ( 1.471 -2.658 3.160) 4.383 9.312 ( -0.018 -5.422 -0.789) 5.479 9.364 ( -1.018 -1.668 -2.037) 2.823 9.390 ( 0.595 3.081 2.656) 4.111 9.511 ( 1.978 1.457 -1.146) 2.711 9.643 ( -4.177 3.261 -1.097) 5.412 9.648 ( -3.341 -2.087 1.011) 4.067 9.858 ( -2.033 1.543 1.382) 2.902 9.881 ( -0.437 -4.720 -3.393) 5.829 10.130 ( 0.941 1.035 0.230) 1.418 12.681 ( -0.652 1.060 1.117) 1.672 12.687 ( -1.085 1.096 -0.785) 1.730 20.368 ( -0.361 5.868 0.560) 5.906 20.463 ( -1.122 3.724 0.430) 3.913 21.145 ( 1.419 -3.236 -0.251) 3.542 21.227 ( 1.269 -2.673 -0.770) 3.058 21.305 ( 0.993 -1.378 -0.552) 1.786 21.491 ( 3.004 12.400 -0.578) 12.772 21.658 ( 0.163 -9.388 -1.275) 9.475 22.002 ( 5.636 4.104 -0.345) 6.980 22.374 ( -3.410 2.421 -0.320) 4.195 22.584 ( -1.412 -8.829 4.295) 9.919 22.830 ( -0.009 1.200 0.345) 1.249 22.901 ( -0.328 1.010 0.466) 1.159 23.949 ( -0.751 0.805 -0.470) 1.197 24.090 ( -1.411 -3.198 -0.788) 3.584 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 15.245 0.000) 15.245 0.869 ( 0.000 19.412 0.000) 19.412 0.915 ( 0.000 8.447 0.000) 8.447 1.193 ( 0.000 -5.477 0.000) 5.477 1.256 ( 0.000 -14.328 0.000) 14.328 1.270 ( 0.000 -9.100 0.000) 9.100 1.458 ( 0.000 0.299 0.000) 0.299 1.524 ( 0.000 -5.301 0.000) 5.301 1.589 ( 0.000 25.410 0.000) 25.410 1.740 ( 0.000 1.155 0.000) 1.155 1.765 ( 0.000 -1.842 0.000) 1.842 1.823 ( 0.000 3.700 0.000) 3.700 1.982 ( 0.000 -3.083 0.000) 3.083 2.041 ( 0.000 0.888 0.000) 0.888 2.045 ( 0.000 -8.450 0.000) 8.450 2.060 ( 0.000 -1.759 0.000) 1.759 2.079 ( 0.000 1.298 0.000) 1.298 2.113 ( 0.000 0.846 0.000) 0.846 2.197 ( 0.000 -4.823 0.000) 4.823 2.226 ( 0.000 -4.992 0.000) 4.992 2.383 ( 0.000 2.453 0.000) 2.453 2.424 ( 0.000 -1.672 0.000) 1.672 2.494 ( 0.000 2.227 0.000) 2.227 2.517 ( 0.000 -0.187 0.000) 0.187 2.607 ( 0.000 0.983 0.000) 0.983 2.625 ( 0.000 0.096 0.000) 0.096 2.648 ( 0.000 4.894 0.000) 4.894 2.753 ( 0.000 -2.025 0.000) 2.025 2.753 ( 0.000 -0.087 0.000) 0.087 2.773 ( 0.000 0.955 0.000) 0.955 2.803 ( 0.000 -0.222 0.000) 0.222 2.887 ( 0.000 -4.762 0.000) 4.762 3.032 ( 0.000 2.263 0.000) 2.263 3.066 ( 0.000 -0.504 0.000) 0.504 3.092 ( 0.000 -0.930 0.000) 0.930 3.103 ( 0.000 -0.591 0.000) 0.591 3.194 ( 0.000 0.576 0.000) 0.576 3.244 ( 0.000 -5.667 0.000) 5.667 3.552 ( 0.000 4.296 0.000) 4.296 3.581 ( 0.000 -0.268 0.000) 0.268 3.592 ( 0.000 0.809 0.000) 0.809 3.694 ( 0.000 -4.178 0.000) 4.178 3.761 ( 0.000 0.767 0.000) 0.767 3.793 ( 0.000 -4.417 0.000) 4.417 4.219 ( 0.000 0.778 0.000) 0.778 4.239 ( 0.000 0.246 0.000) 0.246 4.353 ( 0.000 3.070 0.000) 3.070 4.396 ( 0.000 0.782 0.000) 0.782 4.506 ( 0.000 1.834 0.000) 1.834 4.588 ( 0.000 -3.618 0.000) 3.618 4.852 ( 0.000 3.380 0.000) 3.380 4.880 ( 0.000 0.494 0.000) 0.494 5.270 ( 0.000 6.445 0.000) 6.445 5.483 ( 0.000 -12.694 0.000) 12.694 6.260 ( 0.000 12.393 0.000) 12.393 6.342 ( 0.000 0.849 0.000) 0.849 6.404 ( 0.000 0.955 0.000) 0.955 6.556 ( 0.000 -9.900 0.000) 9.900 6.981 ( 0.000 4.761 0.000) 4.761 7.094 ( 0.000 -5.703 0.000) 5.703 8.377 ( 0.000 -0.202 0.000) 0.202 8.379 ( 0.000 -0.126 0.000) 0.126 8.519 ( 0.000 1.855 0.000) 1.855 8.588 ( 0.000 -4.658 0.000) 4.658 9.055 ( 0.000 3.279 0.000) 3.279 9.080 ( 0.000 2.203 0.000) 2.203 9.280 ( 0.000 1.857 0.000) 1.857 9.370 ( 0.000 -4.883 0.000) 4.883 9.677 ( 0.000 8.150 0.000) 8.150 9.854 ( 0.000 -7.068 0.000) 7.068 10.033 ( 0.000 0.688 0.000) 0.688 10.033 ( 0.000 1.956 0.000) 1.956 10.165 ( 0.000 0.810 0.000) 0.810 10.230 ( 0.000 -4.210 0.000) 4.210 12.739 ( 0.000 6.034 0.000) 6.034 12.849 ( 0.000 -4.225 0.000) 4.225 20.553 ( 0.000 2.522 0.000) 2.522 20.614 ( 0.000 -3.216 0.000) 3.216 20.953 ( 0.000 1.033 0.000) 1.033 20.986 ( 0.000 -1.990 0.000) 1.990 21.185 ( 0.000 1.436 0.000) 1.436 21.200 ( 0.000 0.263 0.000) 0.263 21.307 ( 0.000 2.300 0.000) 2.300 21.373 ( 0.000 -3.642 0.000) 3.642 22.709 ( 0.000 -0.027 0.000) 0.027 22.717 ( 0.000 -0.825 0.000) 0.825 22.882 ( 0.000 0.623 0.000) 0.623 22.885 ( 0.000 0.318 0.000) 0.318 24.111 ( 0.000 4.419 0.000) 4.419 24.209 ( 0.000 -4.729 0.000) 4.729 ======================= Grid point 19 (12/69) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.928 13.240 1.588) 13.367 0.886 ( 5.072 12.480 1.476) 13.552 1.000 ( 0.373 11.263 8.649) 14.205 1.166 ( -1.561 -12.801 -6.045) 14.242 1.191 ( -0.699 -5.048 0.458) 5.116 1.315 ( 4.184 -9.916 0.106) 10.763 1.491 ( 2.385 1.599 1.573) 3.274 1.553 ( 2.926 -2.572 -1.835) 4.307 1.669 ( 3.305 15.235 3.247) 15.924 1.753 ( -1.016 -2.118 0.524) 2.407 1.772 ( 4.611 5.202 -1.099) 7.038 1.862 ( 2.391 3.826 2.642) 5.229 1.963 ( 1.508 -1.692 -4.161) 4.738 2.018 ( 0.983 1.523 -2.448) 3.046 2.044 ( 4.414 -1.422 -3.134) 5.598 2.059 ( 1.784 -4.384 -3.336) 5.791 2.113 ( 1.475 -1.795 0.961) 2.514 2.146 ( 0.857 2.292 3.182) 4.014 2.186 ( -1.102 -5.315 0.371) 5.441 2.253 ( 0.863 -5.245 1.484) 5.519 2.354 ( -3.225 1.086 -0.333) 3.419 2.382 ( -2.974 -0.684 -0.600) 3.110 2.428 ( -4.426 0.730 -1.915) 4.877 2.465 ( -1.266 -1.472 -1.961) 2.760 2.623 ( -3.251 1.680 -2.275) 4.309 2.637 ( -2.002 0.710 0.188) 2.133 2.672 ( 1.879 3.584 -0.235) 4.054 2.710 ( 2.173 1.160 -0.132) 2.467 2.771 ( 2.104 -0.026 -1.586) 2.635 2.787 ( 3.834 -1.301 0.700) 4.109 2.883 ( 0.984 0.370 5.855) 5.949 2.924 ( -1.009 -3.290 5.695) 6.654 3.026 ( -0.056 1.192 -1.048) 1.588 3.050 ( 0.179 -1.039 -2.398) 2.620 3.097 ( 1.755 0.343 -1.111) 2.106 3.108 ( 2.825 -1.096 -1.300) 3.297 3.143 ( -3.186 2.660 -2.640) 4.919 3.249 ( -0.016 -7.248 -0.267) 7.253 3.471 ( -2.071 1.219 -7.787) 8.150 3.501 ( 0.207 -0.601 -10.183) 10.203 3.589 ( -1.321 3.818 2.024) 4.519 3.687 ( -0.434 -3.509 -0.564) 3.580 3.794 ( -4.205 -0.376 10.077) 10.925 3.822 ( -5.696 -3.219 10.109) 12.042 4.148 ( -8.986 4.198 -2.001) 10.118 4.179 ( -8.343 0.920 0.640) 8.418 4.305 ( -0.400 2.651 -0.444) 2.718 4.333 ( -1.662 -0.746 -0.213) 1.834 4.530 ( 3.992 6.169 -2.723) 7.836 4.720 ( 8.491 -10.375 -2.247) 13.593 4.850 ( -0.607 2.384 -0.352) 2.485 4.872 ( -0.591 0.571 0.395) 0.911 5.264 ( -0.843 4.667 0.180) 4.746 5.418 ( -4.248 -9.156 -4.017) 10.864 6.236 ( -5.412 10.243 6.198) 13.138 6.371 ( -0.055 -2.521 2.562) 3.595 6.436 ( 4.157 1.833 -0.164) 4.546 6.529 ( -2.292 -7.095 0.269) 7.461 6.985 ( 0.919 5.620 -1.249) 5.830 7.095 ( -1.337 -4.332 -0.350) 4.547 8.393 ( 2.840 0.398 -1.232) 3.121 8.411 ( 4.057 -1.071 -0.332) 4.209 8.581 ( 5.551 0.551 1.077) 5.681 8.620 ( 3.938 -3.034 -0.140) 4.973 9.045 ( 0.481 3.374 -1.317) 3.653 9.101 ( 1.952 -1.237 -0.160) 2.317 9.252 ( 0.152 7.075 -2.049) 7.367 9.413 ( 2.395 -7.261 0.721) 7.679 9.651 ( -1.860 6.425 -1.274) 6.809 9.788 ( -5.003 -5.388 -1.653) 7.536 9.977 ( -6.507 2.552 2.257) 7.344 10.012 ( -1.960 -0.363 -2.453) 3.161 10.161 ( -2.417 -0.361 1.633) 2.940 10.197 ( -3.198 -2.913 -1.381) 4.541 12.743 ( -2.040 5.890 3.512) 7.155 12.849 ( -2.693 -4.002 3.101) 5.734 20.522 ( -0.952 2.957 -2.640) 4.077 20.579 ( -3.210 -2.648 -0.434) 4.184 21.002 ( 3.958 -0.829 -1.163) 4.208 21.005 ( 5.447 -1.052 -1.654) 5.789 21.236 ( 5.175 3.984 1.600) 6.724 21.280 ( 5.234 1.624 2.408) 5.985 21.371 ( 7.284 -1.591 -0.408) 7.467 21.411 ( 6.108 -3.610 -1.017) 7.168 22.645 ( -7.120 1.673 0.970) 7.378 22.689 ( -5.174 -2.323 1.780) 5.944 22.876 ( -0.881 0.970 0.549) 1.421 22.888 ( -0.144 -0.099 0.907) 0.923 24.089 ( -1.731 4.416 -0.788) 4.808 24.192 ( -2.336 -5.127 0.067) 5.635 ======================= Grid point 20 (13/69) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 4.968 4.944 7.050) 9.941 1.013 ( 4.496 8.282 8.855) 12.931 1.098 ( 2.406 -0.744 3.202) 4.074 1.136 ( 1.674 -1.438 5.362) 5.798 1.246 ( 6.562 -0.348 0.386) 6.582 1.390 ( 6.221 -5.574 -2.537) 8.729 1.542 ( 1.017 1.386 2.046) 2.672 1.589 ( 4.002 -1.874 -1.057) 4.544 1.677 ( -1.506 -0.283 -0.975) 1.816 1.722 ( -0.834 -3.548 -0.518) 3.682 1.840 ( 3.132 7.043 -3.409) 8.428 1.896 ( 1.643 2.666 -3.646) 4.806 1.966 ( 2.475 0.267 -3.793) 4.537 2.026 ( 0.008 -2.465 -4.327) 4.980 2.085 ( -1.459 2.188 0.406) 2.661 2.098 ( 5.468 4.797 2.242) 7.611 2.133 ( 1.117 0.447 -0.948) 1.532 2.163 ( 3.596 -3.279 -0.999) 4.969 2.211 ( 2.650 0.155 -1.989) 3.317 2.255 ( -0.312 -2.441 -1.550) 2.908 2.302 ( -1.983 0.600 0.033) 2.072 2.357 ( 1.297 -3.703 1.573) 4.227 2.389 ( 1.086 -0.317 0.958) 1.483 2.440 ( 0.629 -3.885 -0.817) 4.019 2.532 ( -4.669 2.495 0.193) 5.297 2.581 ( -3.593 -2.229 -0.576) 4.267 2.691 ( 0.052 2.886 0.865) 3.013 2.740 ( -0.215 -0.195 2.061) 2.082 2.803 ( 2.773 5.529 -3.897) 7.311 2.862 ( 2.816 1.358 0.449) 3.159 2.873 ( -1.624 1.407 0.017) 2.149 2.934 ( -2.597 -3.906 0.730) 4.747 3.040 ( -0.355 -0.176 0.021) 0.397 3.057 ( -0.381 -3.093 -0.633) 3.180 3.085 ( 0.266 2.946 2.920) 4.156 3.123 ( 1.909 -0.956 -1.780) 2.780 3.173 ( 6.067 -0.175 1.459) 6.243 3.238 ( 0.068 -4.409 -0.986) 4.518 3.384 ( -0.495 1.314 -3.284) 3.571 3.418 ( 0.677 -1.838 -5.496) 5.835 3.602 ( 0.687 3.465 0.347) 3.550 3.659 ( -1.333 -1.339 -2.229) 2.922 3.795 ( -8.537 -0.377 9.004) 12.414 3.826 ( -6.597 -2.456 9.537) 11.853 3.946 ( -9.785 7.498 -4.848) 13.246 4.029 ( -7.554 -1.015 -2.508) 8.024 4.320 ( -0.584 0.881 2.051) 2.307 4.335 ( 0.555 0.004 1.710) 1.798 4.541 ( 2.189 4.473 -4.385) 6.635 4.728 ( 0.861 -10.592 -9.739) 14.415 4.828 ( -1.159 2.797 0.609) 3.088 4.891 ( 0.107 -2.753 3.056) 4.115 5.248 ( -1.155 2.006 0.081) 2.316 5.309 ( -3.418 -3.320 -2.789) 5.521 6.235 ( -5.100 7.762 9.033) 12.956 6.394 ( -5.117 -7.293 7.143) 11.419 6.465 ( 2.104 3.473 -2.447) 4.741 6.545 ( 3.167 -3.603 0.672) 4.843 6.966 ( -0.649 4.794 -3.048) 5.718 7.026 ( -2.988 -0.529 -4.488) 5.418 8.434 ( 3.670 2.038 -1.381) 4.419 8.489 ( 4.910 -3.155 0.001) 5.836 8.664 ( 5.721 2.715 -1.228) 6.450 8.729 ( 7.413 -3.336 0.725) 8.161 9.051 ( 1.005 3.781 0.022) 3.912 9.134 ( 1.911 -4.531 0.544) 4.948 9.262 ( 2.516 6.727 -0.201) 7.185 9.418 ( -0.147 -7.679 -3.659) 8.507 9.609 ( -2.197 4.639 0.285) 5.141 9.708 ( -4.498 -4.050 1.647) 6.273 9.886 ( -7.399 2.479 1.856) 8.021 9.931 ( -3.991 -2.283 -2.761) 5.363 10.107 ( -4.058 0.170 -2.950) 5.020 10.120 ( -3.587 -0.897 0.583) 3.744 12.742 ( -3.157 4.459 3.831) 6.673 12.816 ( -4.774 -2.260 2.109) 5.687 20.488 ( -0.866 3.402 -0.565) 3.556 20.533 ( -2.454 -1.197 1.174) 2.972 21.049 ( 4.165 0.980 -1.335) 4.482 21.091 ( 6.679 -2.935 -3.162) 7.951 21.309 ( 1.252 4.562 1.068) 4.849 21.416 ( 5.584 -1.056 2.597) 6.248 21.467 ( 9.586 2.078 -3.103) 10.288 21.592 ( 16.680 -5.444 -2.822) 17.771 22.528 ( -9.354 2.817 3.294) 10.309 22.603 ( -8.608 -3.703 3.821) 10.120 22.869 ( -0.974 1.743 0.988) 2.228 22.897 ( -0.438 -0.733 1.372) 1.616 24.048 ( -2.060 3.441 -0.983) 4.129 24.137 ( -3.323 -4.767 -1.287) 5.952 ======================= Grid point 21 (14/69) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 5.528 3.936 3.704) 7.731 1.153 ( -0.571 -2.657 6.234) 6.801 1.226 ( 4.226 3.091 8.034) 9.590 1.286 ( 6.304 0.436 9.875) 11.724 1.384 ( 7.790 2.710 0.493) 8.263 1.473 ( 7.255 -1.466 -1.222) 7.502 1.577 ( -0.410 -0.146 3.830) 3.854 1.636 ( 1.487 1.964 0.146) 2.468 1.650 ( 1.199 -2.618 -0.922) 3.024 1.730 ( 0.204 -3.153 1.087) 3.341 1.810 ( -0.906 5.175 -5.166) 7.368 1.881 ( 3.067 -0.619 -4.799) 5.729 1.933 ( 0.091 0.158 -6.418) 6.421 1.960 ( 1.043 -2.872 -5.594) 6.374 2.063 ( -0.863 1.465 0.889) 1.919 2.091 ( -0.338 1.059 -1.243) 1.668 2.158 ( -3.081 -0.631 -0.002) 3.145 2.171 ( -1.566 -1.693 0.225) 2.317 2.210 ( 2.718 -0.457 -2.687) 3.849 2.271 ( 0.333 -4.377 1.135) 4.534 2.309 ( 2.959 3.578 -0.775) 4.707 2.383 ( -3.471 -0.847 0.449) 3.601 2.444 ( 2.620 -1.594 0.511) 3.109 2.471 ( -2.043 -2.735 0.161) 3.418 2.515 ( 2.068 0.136 -0.280) 2.091 2.539 ( 4.346 -1.593 0.017) 4.629 2.666 ( -2.296 4.242 -1.772) 5.138 2.739 ( -1.048 -1.529 0.255) 1.871 2.809 ( 2.301 3.699 0.557) 4.392 2.855 ( -1.808 0.628 -2.539) 3.180 2.892 ( 0.073 2.994 -0.816) 3.104 2.903 ( 0.859 -0.308 0.167) 0.928 3.026 ( 0.480 -2.273 -0.458) 2.367 3.053 ( 0.994 -2.275 0.968) 2.665 3.130 ( 0.513 3.289 2.273) 4.031 3.175 ( 2.214 1.202 2.594) 3.616 3.205 ( -2.179 -0.130 -1.927) 2.912 3.255 ( 1.737 -1.946 0.203) 2.616 3.390 ( 2.320 1.360 -1.173) 2.934 3.420 ( 3.804 -0.664 1.395) 4.105 3.593 ( -3.431 0.846 -1.270) 3.755 3.604 ( -1.299 0.025 -0.764) 1.507 3.722 ( -6.077 5.052 -0.752) 7.939 3.779 ( -5.896 5.440 1.758) 8.213 3.808 ( -5.828 -3.868 4.538) 8.338 3.912 ( -3.569 -4.998 -1.982) 6.453 4.318 ( -1.887 1.673 0.978) 2.705 4.355 ( -1.474 -0.788 2.450) 2.966 4.533 ( 2.238 -0.452 -2.664) 3.509 4.606 ( -0.708 -7.228 -9.706) 12.122 4.822 ( -0.696 5.315 0.822) 5.423 4.930 ( 0.301 -4.411 3.299) 5.516 5.231 ( -0.914 0.606 0.092) 1.101 5.252 ( -1.320 -1.344 -1.198) 2.232 6.249 ( -5.160 5.164 7.456) 10.435 6.331 ( -7.171 -0.788 2.242) 7.554 6.497 ( 1.604 3.277 0.466) 3.678 6.598 ( 2.335 -4.883 0.792) 5.470 6.916 ( -0.213 1.699 -3.166) 3.599 6.939 ( -0.821 -0.026 -5.026) 5.093 8.477 ( 3.003 3.669 -0.791) 4.807 8.545 ( 2.526 -2.879 -1.034) 3.967 8.755 ( 5.350 4.828 0.332) 7.214 8.840 ( 5.475 -3.952 0.312) 6.760 9.062 ( 0.355 2.812 -0.256) 2.846 9.168 ( 0.425 -6.488 0.895) 6.563 9.327 ( 4.237 1.235 1.756) 4.750 9.366 ( 0.627 -3.364 -3.701) 5.041 9.579 ( -2.390 3.883 0.345) 4.573 9.656 ( -5.023 -3.161 2.224) 6.338 9.778 ( -6.523 1.560 -0.405) 6.719 9.831 ( -5.024 -3.555 -2.049) 6.487 10.022 ( -2.309 3.876 -2.225) 5.030 10.090 ( -0.246 -2.258 0.168) 2.278 12.724 ( -2.952 2.264 2.236) 4.341 12.753 ( -4.152 -0.363 0.489) 4.197 20.483 ( -0.277 4.235 1.172) 4.402 20.523 ( -1.123 0.299 1.947) 2.267 21.098 ( 3.228 1.295 -1.114) 3.652 21.147 ( 4.131 -2.961 -2.626) 5.721 21.315 ( 0.096 4.145 -0.929) 4.249 21.459 ( 0.205 -8.798 -0.297) 8.806 21.640 ( 12.616 10.948 -2.665) 16.915 21.835 ( 15.824 -6.443 -2.935) 17.335 22.435 ( -6.957 2.166 4.578) 8.605 22.507 ( -9.161 -3.835 5.396) 11.303 22.866 ( -0.725 2.082 0.919) 2.389 22.901 ( -0.750 -1.001 1.143) 1.694 24.004 ( -1.696 2.240 -1.162) 3.040 24.068 ( -2.699 -3.700 -1.822) 4.929 ======================= Grid point 22 (15/69) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.484 1.414 1.917) 2.431 1.198 ( 2.724 -0.275 0.938) 2.894 1.329 ( 0.611 6.106 4.081) 7.370 1.477 ( 4.016 -4.217 0.423) 5.839 1.480 ( 5.796 2.951 3.433) 7.355 1.571 ( 1.928 -1.336 1.989) 3.075 1.600 ( -1.867 3.371 1.770) 4.240 1.637 ( -0.918 -0.895 2.545) 2.850 1.693 ( 0.542 2.841 -2.237) 3.657 1.728 ( 1.302 -1.181 0.843) 1.949 1.755 ( 0.511 2.278 -1.139) 2.598 1.864 ( 0.709 -5.327 -3.650) 6.496 1.912 ( 2.923 1.569 -3.329) 4.700 1.939 ( 3.142 -1.630 -3.515) 4.989 2.017 ( -3.860 1.641 -0.352) 4.209 2.067 ( -6.094 0.657 0.419) 6.144 2.146 ( 4.062 -0.516 1.394) 4.326 2.175 ( 1.168 -1.562 1.438) 2.423 2.237 ( 1.061 -0.177 0.603) 1.233 2.276 ( -1.557 -3.549 -0.527) 3.911 2.315 ( -1.447 0.012 -0.293) 1.477 2.336 ( -0.734 -1.695 0.261) 1.865 2.424 ( -0.628 -0.573 -0.230) 0.881 2.432 ( -2.028 -1.147 -1.748) 2.913 2.540 ( 2.544 2.518 -1.805) 4.008 2.580 ( 0.088 0.508 -3.259) 3.299 2.665 ( 2.421 2.527 0.646) 3.559 2.738 ( -0.856 -1.665 0.786) 2.030 2.801 ( -0.868 -0.467 -0.448) 1.083 2.831 ( -0.762 -0.585 0.983) 1.375 2.888 ( 1.172 -0.357 -0.392) 1.286 2.916 ( -0.773 -1.024 0.472) 1.367 3.040 ( 1.393 1.438 -1.071) 2.271 3.080 ( 1.310 -0.012 -0.509) 1.405 3.126 ( -2.998 2.248 1.354) 3.985 3.147 ( -0.813 0.263 -1.292) 1.549 3.230 ( 1.224 1.443 2.101) 2.828 3.275 ( 0.993 -2.404 -1.704) 3.110 3.460 ( 3.932 4.379 2.730) 6.487 3.486 ( 1.009 1.805 1.789) 2.735 3.529 ( -1.970 0.219 -0.220) 1.994 3.568 ( -1.985 -3.302 0.106) 3.854 3.664 ( 2.634 6.496 -4.520) 8.340 3.709 ( -6.331 6.206 2.522) 9.217 3.773 ( -1.915 -5.276 1.250) 5.750 3.865 ( -0.699 -6.743 -0.873) 6.836 4.294 ( -0.935 1.164 -0.113) 1.497 4.342 ( -1.459 -2.928 0.450) 3.303 4.535 ( 0.414 -2.203 -3.183) 3.893 4.547 ( 0.873 -2.418 -0.256) 2.583 4.823 ( -0.124 7.290 0.494) 7.308 4.963 ( 0.213 -5.615 1.464) 5.807 5.223 ( -0.467 -0.269 0.552) 0.771 5.230 ( -0.263 -0.991 -0.882) 1.353 6.199 ( -3.667 6.221 -0.011) 7.222 6.280 ( -2.651 -0.761 2.539) 3.749 6.515 ( 0.640 5.013 -0.097) 5.054 6.634 ( 0.677 -5.284 0.776) 5.384 6.896 ( 0.203 -0.409 -2.065) 2.115 6.900 ( 0.494 -1.013 -0.903) 1.444 8.511 ( 1.426 3.999 0.090) 4.246 8.555 ( 0.452 -0.548 -0.975) 1.207 8.818 ( 1.728 5.599 0.224) 5.864 8.910 ( 2.233 -4.024 0.570) 4.637 9.065 ( 0.284 -0.618 -0.011) 0.680 9.156 ( -0.912 -8.069 -0.846) 8.164 9.369 ( 1.927 2.336 -0.636) 3.095 9.422 ( 3.039 -1.319 1.872) 3.805 9.551 ( -0.190 2.252 -0.430) 2.301 9.597 ( -4.056 -2.335 1.271) 4.849 9.681 ( -3.723 1.539 -0.986) 4.147 9.743 ( -2.531 -4.757 -1.429) 5.575 9.988 ( -0.331 6.544 -0.568) 6.577 10.101 ( 0.600 -3.746 0.217) 3.800 12.703 ( -1.345 0.799 0.790) 1.752 12.706 ( -1.455 0.521 -0.182) 1.556 20.494 ( 0.035 4.832 0.796) 4.897 20.529 ( -0.313 1.485 0.933) 1.782 21.125 ( 1.133 1.120 -0.450) 1.655 21.171 ( 1.417 -2.701 -1.052) 3.226 21.307 ( 0.046 2.887 -0.528) 2.935 21.446 ( -0.382 -9.706 -0.798) 9.746 21.771 ( 5.253 13.761 -1.193) 14.777 22.004 ( 7.097 -6.270 -1.747) 9.630 22.401 ( -1.259 0.339 0.855) 1.559 22.434 ( -5.903 -3.648 4.567) 8.307 22.865 ( -0.261 1.960 0.371) 2.012 22.900 ( -0.399 -1.063 0.445) 1.219 23.974 ( -0.683 1.649 -0.583) 1.878 24.021 ( -1.013 -2.954 -0.838) 3.233 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -9.346 0.000 19.708) 21.812 0.444 ( 2.126 0.000 21.610) 21.715 0.689 ( 4.200 0.000 32.145) 32.418 0.818 ( 3.485 0.000 16.919) 17.274 1.361 ( -0.368 0.000 -4.485) 4.500 1.463 ( -1.043 0.000 4.153) 4.282 1.510 ( -1.614 0.000 -7.495) 7.667 1.527 ( -2.737 0.000 2.898) 3.987 1.684 ( -4.395 0.000 -1.956) 4.811 1.705 ( 2.919 0.000 -3.350) 4.444 1.755 ( 1.015 0.000 -1.119) 1.511 1.854 ( -0.113 0.000 -6.216) 6.217 1.904 ( 1.936 0.000 -1.302) 2.333 1.995 ( 0.614 0.000 -4.319) 4.362 2.079 ( -2.473 0.000 -2.713) 3.671 2.103 ( -1.136 0.000 -0.776) 1.376 2.141 ( 1.297 0.000 0.280) 1.327 2.171 ( 1.898 0.000 -2.598) 3.217 2.228 ( 1.580 0.000 1.536) 2.204 2.332 ( -1.734 0.000 -7.127) 7.335 2.351 ( 0.047 0.000 1.710) 1.711 2.401 ( -7.011 0.000 -1.988) 7.288 2.429 ( 1.008 0.000 4.300) 4.416 2.479 ( 0.102 0.000 4.085) 4.086 2.539 ( 2.310 0.000 0.700) 2.413 2.590 ( 5.085 0.000 2.696) 5.755 2.594 ( -1.172 0.000 3.280) 3.483 2.676 ( -1.871 0.000 -1.381) 2.326 2.730 ( -0.270 0.000 -3.639) 3.649 2.775 ( -1.309 0.000 -1.599) 2.066 2.889 ( 5.690 0.000 -4.545) 7.283 2.926 ( 1.903 0.000 2.338) 3.015 2.997 ( 2.344 0.000 3.724) 4.401 3.009 ( -2.376 0.000 -6.658) 7.069 3.036 ( 1.204 0.000 -6.416) 6.528 3.105 ( -0.646 0.000 -0.559) 0.854 3.185 ( 0.992 0.000 -0.680) 1.203 3.378 ( -0.363 0.000 -2.282) 2.311 3.455 ( 0.189 0.000 -6.866) 6.868 3.604 ( -4.231 0.000 -5.331) 6.806 3.651 ( 3.701 0.000 1.496) 3.991 3.685 ( -2.796 0.000 -2.612) 3.826 3.774 ( -0.553 0.000 -2.168) 2.237 3.861 ( 3.490 0.000 1.102) 3.660 4.185 ( -3.035 0.000 7.806) 8.375 4.262 ( -4.435 0.000 3.091) 5.406 4.359 ( 0.273 0.000 -0.903) 0.943 4.501 ( -0.092 0.000 0.835) 0.840 4.507 ( -0.238 0.000 -0.364) 0.435 4.561 ( -3.307 0.000 -5.256) 6.210 4.782 ( 3.890 0.000 4.176) 5.707 4.949 ( 2.041 0.000 7.600) 7.869 5.345 ( -0.380 0.000 -2.050) 2.085 5.500 ( -5.180 0.000 -11.045) 12.200 5.936 ( 5.093 0.000 14.647) 15.507 6.343 ( 4.762 0.000 3.275) 5.779 6.424 ( -6.329 0.000 1.526) 6.511 6.773 ( -2.872 0.000 -2.385) 3.733 6.909 ( 0.451 0.000 2.323) 2.367 7.148 ( -1.908 0.000 -7.963) 8.189 8.373 ( 2.160 0.000 -0.199) 2.169 8.400 ( -2.483 0.000 -0.935) 2.654 8.500 ( 3.826 0.000 0.022) 3.826 8.694 ( -4.147 0.000 -5.549) 6.928 8.958 ( -2.367 0.000 2.894) 3.738 8.979 ( 0.098 0.000 3.630) 3.632 9.185 ( 3.656 0.000 5.674) 6.750 9.526 ( 3.320 0.000 -1.542) 3.660 9.653 ( -1.966 0.000 -0.088) 1.968 9.868 ( 4.923 0.000 -3.753) 6.190 9.948 ( -2.051 0.000 5.855) 6.203 10.084 ( -2.777 0.000 0.520) 2.825 10.170 ( 3.108 0.000 -2.641) 4.078 10.295 ( 0.422 0.000 -2.798) 2.830 12.604 ( 0.565 0.000 3.981) 4.021 12.900 ( -0.318 0.000 -2.902) 2.919 20.392 ( -1.738 0.000 3.139) 3.588 20.719 ( 21.916 0.000 -4.606) 22.395 21.016 ( -9.728 0.000 -1.001) 9.779 21.087 ( -4.555 0.000 0.902) 4.644 21.088 ( 5.336 0.000 -3.089) 6.166 21.137 ( -7.409 0.000 -0.383) 7.419 21.225 ( 0.125 0.000 3.034) 3.036 21.371 ( 2.546 0.000 -0.180) 2.553 22.785 ( 0.439 0.000 3.130) 3.161 22.858 ( -0.155 0.000 0.470) 0.494 22.873 ( 0.462 0.000 0.707) 0.845 22.931 ( -18.692 0.000 -0.959) 18.717 24.055 ( -1.032 0.000 2.789) 2.974 24.355 ( 14.774 0.000 -3.787) 15.252 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 4.945 0.000 17.217) 17.913 0.743 ( 6.424 0.000 17.205) 18.365 1.013 ( -1.752 0.000 13.372) 13.486 1.214 ( 17.412 0.000 20.657) 27.017 1.310 ( 1.178 0.000 -5.431) 5.557 1.442 ( 4.168 0.000 -4.110) 5.854 1.492 ( 0.748 0.000 2.750) 2.850 1.526 ( 3.860 0.000 -3.122) 4.964 1.602 ( -6.647 0.000 4.276) 7.904 1.737 ( -0.102 0.000 -0.728) 0.735 1.769 ( 1.724 0.000 0.163) 1.731 1.795 ( 2.670 0.000 -5.299) 5.933 1.932 ( 3.247 0.000 -2.159) 3.899 1.969 ( 2.161 0.000 -3.572) 4.175 2.002 ( -2.174 0.000 -2.826) 3.565 2.105 ( -3.402 0.000 -7.007) 7.789 2.106 ( 0.786 0.000 0.503) 0.934 2.149 ( 0.605 0.000 -2.464) 2.537 2.233 ( -2.486 0.000 0.327) 2.507 2.265 ( 3.879 0.000 -2.176) 4.448 2.299 ( -1.405 0.000 -5.225) 5.411 2.397 ( -0.137 0.000 3.279) 3.281 2.458 ( 0.249 0.000 2.698) 2.709 2.565 ( 3.094 0.000 3.655) 4.788 2.576 ( -1.329 0.000 -4.797) 4.978 2.606 ( -1.355 0.000 -4.252) 4.463 2.612 ( 0.908 0.000 2.661) 2.811 2.663 ( 0.752 0.000 1.145) 1.370 2.736 ( -0.563 0.000 -2.334) 2.402 2.753 ( 4.437 0.000 5.329) 6.934 2.910 ( -4.514 0.000 2.667) 5.243 2.939 ( 8.162 0.000 -10.637) 13.408 3.003 ( 5.705 0.000 -4.419) 7.216 3.023 ( 1.704 0.000 -0.873) 1.915 3.084 ( 0.496 0.000 -2.856) 2.898 3.086 ( 2.468 0.000 3.868) 4.588 3.166 ( 0.788 0.000 -2.375) 2.502 3.313 ( -6.890 0.000 -9.144) 11.449 3.405 ( 0.920 0.000 6.659) 6.723 3.441 ( -7.791 0.000 -5.440) 9.503 3.608 ( -6.128 0.000 -1.520) 6.314 3.617 ( -1.304 0.000 -1.913) 2.315 3.739 ( -2.007 0.000 -1.889) 2.756 3.913 ( 1.939 0.000 -1.063) 2.211 4.151 ( -12.280 0.000 7.996) 14.653 4.164 ( -8.606 0.000 6.903) 11.032 4.362 ( -4.442 0.000 6.965) 8.261 4.367 ( 1.217 0.000 -0.617) 1.365 4.522 ( 0.655 0.000 2.441) 2.527 4.619 ( 3.877 0.000 -9.472) 10.234 4.905 ( 3.369 0.000 6.447) 7.274 5.049 ( 1.831 0.000 -0.477) 1.893 5.306 ( -0.862 0.000 -2.926) 3.050 5.331 ( -3.345 0.000 -8.626) 9.252 6.149 ( -2.092 0.000 15.730) 15.868 6.386 ( 2.122 0.000 -0.035) 2.122 6.468 ( 1.792 0.000 0.253) 1.810 6.635 ( -4.940 0.000 -3.429) 6.014 6.930 ( -0.511 0.000 2.619) 2.669 7.002 ( -4.448 0.000 -5.793) 7.304 8.359 ( -0.236 0.000 -2.453) 2.464 8.454 ( 6.154 0.000 0.108) 6.155 8.584 ( -0.738 0.000 -6.073) 6.118 8.635 ( 9.796 0.000 2.328) 10.069 8.981 ( 1.038 0.000 3.766) 3.906 9.052 ( 4.586 0.000 2.511) 5.228 9.320 ( 4.323 0.000 5.615) 7.086 9.513 ( 0.342 0.000 -4.680) 4.692 9.596 ( -5.237 0.000 1.745) 5.520 9.910 ( 3.970 0.000 -1.621) 4.289 9.935 ( -6.274 0.000 6.676) 9.161 10.000 ( -6.245 0.000 -2.471) 6.716 10.129 ( -3.719 0.000 -3.428) 5.058 10.222 ( -5.379 0.000 -3.201) 6.259 12.656 ( -0.402 0.000 4.914) 4.930 12.834 ( -2.808 0.000 -4.073) 4.947 20.385 ( -2.884 0.000 2.784) 4.008 20.711 ( -8.890 0.000 -4.100) 9.790 21.004 ( 10.712 0.000 -3.163) 11.169 21.048 ( -0.904 0.000 -0.497) 1.031 21.155 ( 4.181 0.000 0.039) 4.181 21.166 ( 5.047 0.000 -2.703) 5.725 21.353 ( 10.594 0.000 2.702) 10.933 21.465 ( 9.850 0.000 -1.088) 9.910 22.736 ( -10.376 0.000 3.315) 10.893 22.797 ( -3.752 0.000 4.660) 5.982 22.847 ( -1.852 0.000 1.123) 2.165 22.892 ( 0.356 0.000 0.727) 0.809 24.056 ( -2.715 0.000 2.450) 3.657 24.351 ( -2.394 0.000 -5.788) 6.263 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 12.006 0.000 11.598) 16.693 0.963 ( 1.786 0.000 9.551) 9.716 1.116 ( 6.791 0.000 3.903) 7.833 1.239 ( 1.547 0.000 -13.137) 13.228 1.439 ( -5.137 0.000 -2.261) 5.613 1.474 ( -2.940 0.000 4.808) 5.636 1.517 ( 4.749 0.000 3.903) 6.147 1.610 ( 6.391 0.000 5.477) 8.417 1.666 ( -1.412 0.000 -5.020) 5.214 1.728 ( 7.359 0.000 -0.824) 7.405 1.792 ( -1.592 0.000 -1.428) 2.139 1.830 ( 3.429 0.000 -1.074) 3.593 1.996 ( 2.078 0.000 -0.632) 2.172 1.997 ( 4.073 0.000 -1.014) 4.197 2.018 ( 0.796 0.000 -2.913) 3.019 2.053 ( 12.382 0.000 15.706) 20.000 2.105 ( -0.935 0.000 -2.340) 2.520 2.141 ( 1.270 0.000 0.593) 1.401 2.206 ( -3.623 0.000 -1.181) 3.810 2.258 ( 3.579 0.000 -1.660) 3.945 2.299 ( 3.454 0.000 -3.381) 4.833 2.403 ( -0.425 0.000 1.580) 1.637 2.407 ( -5.839 0.000 -5.641) 8.119 2.494 ( 2.518 0.000 -1.690) 3.033 2.581 ( -2.162 0.000 -3.063) 3.750 2.609 ( -2.136 0.000 -0.095) 2.138 2.670 ( 3.900 0.000 2.022) 4.393 2.691 ( -0.808 0.000 -3.209) 3.309 2.752 ( 2.046 0.000 6.775) 7.078 2.847 ( 1.210 0.000 2.493) 2.771 2.865 ( -3.565 0.000 2.290) 4.238 2.953 ( 3.692 0.000 -8.830) 9.571 2.984 ( -1.931 0.000 -2.263) 2.974 3.024 ( 3.526 0.000 -10.539) 11.113 3.061 ( 0.536 0.000 -5.740) 5.765 3.095 ( -2.333 0.000 5.716) 6.173 3.110 ( -3.218 0.000 -3.586) 4.818 3.265 ( 5.141 0.000 3.737) 6.356 3.271 ( -4.883 0.000 -4.837) 6.873 3.455 ( -4.372 0.000 0.112) 4.374 3.546 ( -0.953 0.000 7.269) 7.331 3.585 ( -2.062 0.000 0.049) 2.062 3.678 ( -2.002 0.000 -0.781) 2.149 3.893 ( -1.743 0.000 -2.837) 3.330 4.077 ( -8.854 0.000 7.657) 11.706 4.091 ( -7.738 0.000 5.674) 9.595 4.365 ( -0.580 0.000 -1.086) 1.231 4.411 ( 0.719 0.000 6.668) 6.707 4.554 ( 0.474 0.000 -7.547) 7.562 4.577 ( 1.070 0.000 4.895) 5.010 4.952 ( -4.600 0.000 -11.321) 12.220 5.018 ( 2.045 0.000 5.169) 5.559 5.247 ( -1.153 0.000 -0.080) 1.155 5.268 ( 0.162 0.000 -1.758) 1.765 6.199 ( -3.802 0.000 5.599) 6.767 6.238 ( -11.867 0.000 -11.468) 16.503 6.464 ( 0.977 0.000 5.607) 5.691 6.718 ( 5.206 0.000 4.088) 6.619 6.901 ( -2.600 0.000 -2.555) 3.645 6.953 ( 0.006 0.000 2.184) 2.184 8.340 ( 0.769 0.000 -1.648) 1.818 8.474 ( 0.189 0.000 -3.883) 3.888 8.623 ( 7.936 0.000 0.030) 7.936 8.828 ( 9.847 0.000 2.453) 10.148 9.066 ( 3.289 0.000 4.658) 5.702 9.176 ( 6.923 0.000 2.616) 7.400 9.423 ( 3.021 0.000 1.833) 3.534 9.443 ( -0.994 0.000 -7.164) 7.233 9.520 ( -5.569 0.000 0.550) 5.596 9.832 ( -9.506 0.000 -3.902) 10.276 9.887 ( -9.074 0.000 6.473) 11.146 9.954 ( 1.585 0.000 -1.594) 2.248 10.036 ( -3.089 0.000 -0.931) 3.226 10.076 ( -5.697 0.000 -3.026) 6.450 12.692 ( -1.323 0.000 4.121) 4.328 12.740 ( -2.793 0.000 -3.799) 4.715 20.363 ( -3.056 0.000 2.190) 3.760 20.547 ( -6.435 0.000 -2.679) 6.970 21.070 ( 4.015 0.000 -0.919) 4.119 21.137 ( 8.370 0.000 -1.347) 8.478 21.217 ( 3.714 0.000 -0.037) 3.714 21.219 ( 3.983 0.000 0.004) 3.983 21.575 ( 12.991 0.000 1.849) 13.122 21.616 ( 10.255 0.000 -4.000) 11.007 22.603 ( -9.583 0.000 0.989) 9.634 22.783 ( -4.822 0.000 6.549) 8.133 22.836 ( -1.546 0.000 2.153) 2.651 22.896 ( -0.382 0.000 -0.047) 0.385 24.018 ( -3.769 0.000 0.563) 3.811 24.236 ( -3.909 0.000 -4.531) 5.984 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -1.843 0.000 -12.900) 13.031 1.092 ( 6.076 0.000 4.119) 7.340 1.178 ( 11.392 0.000 2.616) 11.688 1.248 ( 3.630 0.000 -0.157) 3.633 1.410 ( 1.264 0.000 1.887) 2.271 1.460 ( -2.166 0.000 1.093) 2.426 1.623 ( 3.612 0.000 0.983) 3.744 1.634 ( 3.760 0.000 -1.753) 4.149 1.710 ( -2.498 0.000 -0.897) 2.654 1.731 ( 0.399 0.000 4.962) 4.978 1.795 ( 3.164 0.000 -1.219) 3.391 1.867 ( 0.271 0.000 0.472) 0.544 2.000 ( -0.680 0.000 0.499) 0.843 2.043 ( 1.690 0.000 -0.835) 1.885 2.050 ( 0.495 0.000 -1.115) 1.220 2.061 ( 0.841 0.000 -0.944) 1.264 2.134 ( -0.873 0.000 -0.927) 1.273 2.176 ( 0.599 0.000 2.540) 2.610 2.297 ( 0.416 0.000 -1.337) 1.400 2.303 ( -2.302 0.000 1.870) 2.966 2.334 ( 3.276 0.000 -1.053) 3.441 2.387 ( -2.542 0.000 -2.254) 3.398 2.462 ( 6.133 0.000 8.073) 10.139 2.493 ( 0.880 0.000 -1.272) 1.547 2.497 ( -5.222 0.000 -2.904) 5.975 2.548 ( 6.661 0.000 -1.887) 6.923 2.636 ( -0.510 0.000 -3.468) 3.506 2.737 ( 1.065 0.000 0.570) 1.208 2.781 ( -1.345 0.000 1.170) 1.782 2.853 ( -2.579 0.000 3.185) 4.099 2.854 ( -2.603 0.000 -4.511) 5.208 2.902 ( 4.723 0.000 -0.590) 4.760 2.940 ( 0.921 0.000 -0.174) 0.937 2.976 ( 1.575 0.000 -5.870) 6.078 3.036 ( 5.215 0.000 -4.526) 6.905 3.122 ( -2.165 0.000 5.223) 5.654 3.131 ( 2.871 0.000 -0.699) 2.955 3.212 ( 0.270 0.000 0.295) 0.400 3.316 ( -2.734 0.000 -0.977) 2.903 3.394 ( -0.059 0.000 -1.020) 1.022 3.543 ( -4.411 0.000 1.992) 4.840 3.573 ( -4.139 0.000 5.081) 6.553 3.703 ( 1.519 0.000 2.654) 3.058 3.805 ( -4.512 0.000 -2.787) 5.304 3.995 ( -8.186 0.000 2.679) 8.613 4.054 ( -2.467 0.000 2.441) 3.471 4.327 ( -2.428 0.000 -1.054) 2.646 4.450 ( -1.475 0.000 -4.295) 4.541 4.553 ( 4.718 0.000 4.643) 6.620 4.654 ( -0.453 0.000 7.654) 7.668 4.754 ( -3.564 0.000 -8.908) 9.595 5.050 ( -0.157 0.000 -1.676) 1.683 5.245 ( -1.103 0.000 1.801) 2.112 5.298 ( 1.520 0.000 3.585) 3.894 5.976 ( -6.302 0.000 -7.223) 9.585 6.193 ( -2.176 0.000 3.003) 3.709 6.494 ( -2.761 0.000 2.324) 3.609 6.768 ( -1.151 0.000 -1.702) 2.055 6.879 ( 2.384 0.000 -1.035) 2.599 6.971 ( -0.056 0.000 0.953) 0.955 8.350 ( 0.861 0.000 0.850) 1.210 8.460 ( 0.973 0.000 0.358) 1.037 8.748 ( 6.296 0.000 0.249) 6.301 8.990 ( 6.985 0.000 1.924) 7.246 9.162 ( 2.185 0.000 3.217) 3.889 9.299 ( 2.982 0.000 -2.047) 3.617 9.349 ( 2.953 0.000 -6.988) 7.587 9.445 ( -4.897 0.000 3.654) 6.111 9.452 ( 0.821 0.000 -2.209) 2.356 9.634 ( -6.841 0.000 -5.345) 8.681 9.794 ( -8.657 0.000 4.196) 9.620 9.870 ( -4.797 0.000 -2.753) 5.530 10.011 ( -1.523 0.000 1.819) 2.372 10.067 ( 1.819 0.000 1.469) 2.338 12.675 ( -1.017 0.000 -2.289) 2.505 12.701 ( -1.921 0.000 2.432) 3.099 20.334 ( -2.608 0.000 1.077) 2.821 20.444 ( -3.047 0.000 -2.276) 3.803 21.143 ( 5.541 0.000 -0.375) 5.553 21.235 ( 4.286 0.000 -0.114) 4.287 21.282 ( 2.168 0.000 2.291) 3.154 21.291 ( 3.856 0.000 1.511) 4.141 21.687 ( 5.430 0.000 -5.188) 7.510 21.800 ( 11.957 0.000 1.609) 12.064 22.442 ( -9.337 0.000 -2.080) 9.566 22.780 ( -3.401 0.000 4.135) 5.354 22.843 ( -1.826 0.000 3.471) 3.922 22.882 ( -0.605 0.000 -0.638) 0.879 23.962 ( -2.449 0.000 -0.598) 2.521 24.144 ( -2.201 0.000 -2.843) 3.595 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 5.245 0.000 -4.984) 7.236 1.197 ( -3.325 0.000 3.123) 4.561 1.208 ( 0.611 0.000 -7.600) 7.625 1.358 ( 9.649 0.000 -1.349) 9.743 1.445 ( 1.011 0.000 -1.393) 1.721 1.454 ( 4.082 0.000 -3.532) 5.397 1.585 ( -4.342 0.000 -3.023) 5.290 1.729 ( -3.982 0.000 2.793) 4.863 1.739 ( -2.036 0.000 9.083) 9.309 1.759 ( 4.264 0.000 2.060) 4.736 1.789 ( -4.640 0.000 -1.106) 4.770 1.874 ( 7.449 0.000 -0.719) 7.484 1.945 ( -3.111 0.000 -1.487) 3.448 2.018 ( -0.731 0.000 -0.482) 0.876 2.069 ( -0.626 0.000 2.912) 2.979 2.102 ( 3.259 0.000 0.014) 3.259 2.174 ( 2.860 0.000 2.565) 3.841 2.197 ( -1.231 0.000 0.441) 1.308 2.250 ( -3.556 0.000 2.126) 4.143 2.289 ( -1.795 0.000 -2.222) 2.856 2.334 ( 2.269 0.000 0.489) 2.321 2.359 ( -0.688 0.000 3.035) 3.112 2.428 ( -0.293 0.000 -5.762) 5.769 2.462 ( 1.193 0.000 -0.346) 1.242 2.566 ( 0.572 0.000 -0.887) 1.056 2.630 ( 1.143 0.000 1.842) 2.167 2.632 ( 3.321 0.000 0.315) 3.336 2.737 ( 0.326 0.000 -1.805) 1.835 2.758 ( -0.819 0.000 -0.365) 0.896 2.824 ( 1.782 0.000 -0.752) 1.934 2.828 ( -4.919 0.000 -0.848) 4.992 2.929 ( 0.416 0.000 -4.707) 4.726 2.941 ( 0.925 0.000 -3.041) 3.179 3.051 ( 2.559 0.000 3.892) 4.658 3.071 ( 5.047 0.000 -5.899) 7.763 3.120 ( -4.672 0.000 -1.766) 4.994 3.171 ( 2.454 0.000 1.390) 2.820 3.204 ( 0.172 0.000 -0.474) 0.504 3.275 ( 4.973 0.000 2.937) 5.775 3.427 ( 1.739 0.000 3.097) 3.552 3.498 ( -4.069 0.000 3.409) 5.308 3.563 ( -3.578 0.000 4.593) 5.822 3.692 ( -4.031 0.000 -1.409) 4.270 3.718 ( -3.451 0.000 -0.463) 3.482 3.908 ( -2.153 0.000 -1.826) 2.823 4.042 ( -0.520 0.000 -1.261) 1.364 4.275 ( -1.753 0.000 -1.227) 2.140 4.364 ( -0.475 0.000 -7.035) 7.051 4.619 ( -1.378 0.000 0.955) 1.677 4.708 ( -3.826 0.000 8.141) 8.995 4.774 ( 7.281 0.000 7.366) 10.357 5.019 ( 0.553 0.000 -3.702) 3.743 5.243 ( -1.376 0.000 1.478) 2.019 5.335 ( -1.608 0.000 2.083) 2.631 5.903 ( 2.265 0.000 -0.141) 2.270 6.187 ( -3.262 0.000 2.613) 4.180 6.445 ( -1.782 0.000 -2.632) 3.178 6.712 ( -0.313 0.000 -4.755) 4.765 6.903 ( 1.525 0.000 -1.116) 1.890 6.967 ( -0.736 0.000 -0.565) 0.928 8.380 ( 0.253 0.000 2.810) 2.821 8.515 ( 1.608 0.000 5.538) 5.767 8.810 ( 1.541 0.000 -1.391) 2.076 9.087 ( 2.476 0.000 1.124) 2.719 9.161 ( -2.938 0.000 -3.195) 4.340 9.217 ( 0.214 0.000 -9.032) 9.035 9.369 ( 1.672 0.000 0.090) 1.675 9.443 ( 2.299 0.000 -0.271) 2.315 9.494 ( 1.583 0.000 5.545) 5.767 9.543 ( -0.100 0.000 -2.617) 2.619 9.711 ( -5.913 0.000 2.628) 6.470 9.801 ( -0.464 0.000 -1.819) 1.877 10.010 ( -1.114 0.000 1.925) 2.224 10.103 ( 0.154 0.000 1.629) 1.636 12.658 ( 0.845 0.000 -0.766) 1.140 12.684 ( -2.063 0.000 0.600) 2.149 20.305 ( -1.553 0.000 -0.023) 1.554 20.396 ( -0.135 0.000 -1.995) 2.000 21.226 ( 3.852 0.000 0.376) 3.870 21.277 ( 1.448 0.000 -0.325) 1.484 21.320 ( -1.522 0.000 3.458) 3.778 21.361 ( 0.924 0.000 3.505) 3.625 21.730 ( 5.643 0.000 -1.583) 5.861 21.961 ( 3.751 0.000 0.671) 3.810 22.291 ( -2.597 0.000 -3.467) 4.332 22.730 ( -5.733 0.000 -1.359) 5.892 22.835 ( -1.888 0.000 0.949) 2.113 22.869 ( 0.013 0.000 -0.767) 0.768 23.941 ( -0.140 0.000 0.707) 0.720 24.108 ( 0.502 0.000 -1.228) 1.327 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -10.126 0.000 -8.837) 13.439 1.051 ( 8.498 0.000 -3.717) 9.276 1.200 ( -1.518 0.000 -0.982) 1.808 1.362 ( -9.611 0.000 5.858) 11.255 1.426 ( -6.960 0.000 -6.468) 9.501 1.467 ( -0.174 0.000 -4.357) 4.360 1.548 ( 9.317 0.000 -1.708) 9.472 1.614 ( 0.360 0.000 1.449) 1.493 1.744 ( -2.564 0.000 0.347) 2.587 1.785 ( -4.567 0.000 8.715) 9.839 1.880 ( -0.710 0.000 -0.250) 0.753 1.906 ( 3.522 0.000 3.957) 5.298 1.992 ( 3.490 0.000 -1.111) 3.663 2.036 ( 2.456 0.000 0.874) 2.607 2.090 ( 0.591 0.000 3.030) 3.087 2.130 ( -0.947 0.000 -0.079) 0.951 2.201 ( 4.531 0.000 -1.316) 4.718 2.215 ( -3.013 0.000 -0.372) 3.036 2.239 ( -2.850 0.000 3.959) 4.878 2.256 ( 3.979 0.000 0.145) 3.981 2.358 ( -5.057 0.000 -2.196) 5.513 2.407 ( 3.638 0.000 0.924) 3.753 2.428 ( -2.464 0.000 0.488) 2.512 2.483 ( -0.844 0.000 1.004) 1.312 2.500 ( -5.088 0.000 -3.809) 6.356 2.542 ( -0.076 0.000 -3.564) 3.565 2.615 ( -4.450 0.000 -0.664) 4.499 2.708 ( -1.363 0.000 -5.440) 5.608 2.738 ( -0.766 0.000 -0.463) 0.895 2.823 ( 5.851 0.000 2.011) 6.187 2.848 ( -0.456 0.000 2.515) 2.556 2.902 ( 5.890 0.000 -4.767) 7.577 2.908 ( 0.240 0.000 -5.120) 5.126 2.961 ( -5.297 0.000 0.693) 5.342 3.079 ( 0.363 0.000 0.153) 0.394 3.137 ( 2.616 0.000 0.927) 2.776 3.257 ( 3.698 0.000 5.028) 6.241 3.290 ( 3.381 0.000 0.829) 3.481 3.403 ( 9.534 0.000 -0.645) 9.556 3.472 ( -1.913 0.000 2.850) 3.432 3.498 ( -2.287 0.000 5.053) 5.546 3.540 ( -2.136 0.000 -1.025) 2.369 3.602 ( -3.008 0.000 -1.005) 3.171 3.679 ( -1.839 0.000 0.287) 1.861 3.872 ( 0.235 0.000 -2.043) 2.056 3.994 ( -1.514 0.000 -3.975) 4.254 4.266 ( 2.484 0.000 -1.484) 2.894 4.294 ( 0.217 0.000 -5.435) 5.439 4.639 ( 0.335 0.000 4.539) 4.551 4.709 ( -5.934 0.000 6.869) 9.077 4.970 ( -1.322 0.000 -5.360) 5.520 5.012 ( 9.395 0.000 10.093) 13.789 5.234 ( -1.211 0.000 0.812) 1.458 5.314 ( -1.333 0.000 0.406) 1.393 6.036 ( 9.880 0.000 5.474) 11.296 6.109 ( -5.953 0.000 -3.486) 6.899 6.424 ( 1.504 0.000 -0.321) 1.538 6.648 ( -0.296 0.000 -7.348) 7.354 6.912 ( 0.693 0.000 0.414) 0.807 6.938 ( -1.351 0.000 -1.582) 2.081 8.417 ( -0.229 0.000 3.907) 3.914 8.619 ( 1.528 0.000 7.969) 8.115 8.769 ( -3.104 0.000 -2.726) 4.131 9.042 ( -5.182 0.000 -4.708) 7.002 9.087 ( -2.494 0.000 -0.712) 2.593 9.133 ( 0.193 0.000 -7.293) 7.296 9.443 ( 4.275 0.000 3.960) 5.827 9.480 ( -1.467 0.000 -1.584) 2.159 9.529 ( -2.191 0.000 1.206) 2.501 9.558 ( 6.334 0.000 -0.315) 6.342 9.672 ( -1.092 0.000 0.437) 1.176 9.830 ( 5.935 0.000 -0.499) 5.956 10.030 ( 0.659 0.000 3.415) 3.478 10.108 ( -1.060 0.000 0.952) 1.425 12.650 ( -1.891 0.000 -0.776) 2.044 12.685 ( 2.771 0.000 0.476) 2.811 20.289 ( -0.165 0.000 -0.185) 0.248 20.392 ( 2.322 0.000 -2.214) 3.208 21.257 ( -0.721 0.000 -0.057) 0.723 21.278 ( -0.754 0.000 -0.323) 0.820 21.316 ( -3.593 0.000 4.613) 5.847 21.387 ( -2.771 0.000 3.938) 4.815 21.840 ( 5.503 0.000 3.253) 6.392 21.877 ( -8.629 0.000 -4.167) 9.582 22.353 ( 8.390 0.000 2.124) 8.654 22.563 ( -6.676 0.000 -8.682) 10.952 22.816 ( -0.964 0.000 0.151) 0.976 22.867 ( 0.680 0.000 -0.779) 1.034 23.964 ( 0.812 0.000 1.916) 2.081 24.127 ( 3.014 0.000 -1.229) 3.255 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -8.275 0.000 -9.716) 12.763 0.962 ( -12.214 0.000 -5.581) 13.428 1.040 ( -15.795 0.000 -5.678) 16.785 1.287 ( 1.135 0.000 -2.850) 3.068 1.361 ( 1.592 0.000 5.050) 5.295 1.437 ( 1.280 0.000 -2.535) 2.839 1.640 ( -2.021 0.000 2.587) 3.283 1.692 ( -3.030 0.000 2.439) 3.890 1.701 ( 2.530 0.000 1.930) 3.182 1.795 ( -17.291 0.000 -6.099) 18.335 1.823 ( -6.621 0.000 0.100) 6.622 1.953 ( 5.425 0.000 5.890) 8.008 1.961 ( 0.259 0.000 1.953) 1.970 2.052 ( -3.960 0.000 0.332) 3.974 2.074 ( 0.438 0.000 0.850) 0.956 2.116 ( -0.517 0.000 0.753) 0.914 2.118 ( -4.463 0.000 -0.210) 4.468 2.223 ( -1.937 0.000 1.530) 2.468 2.255 ( 6.827 0.000 1.707) 7.037 2.287 ( 4.524 0.000 0.382) 4.540 2.335 ( -2.740 0.000 -0.467) 2.779 2.367 ( 5.909 0.000 0.222) 5.913 2.396 ( -6.371 0.000 -4.420) 7.755 2.445 ( 1.517 0.000 -4.727) 4.964 2.551 ( -3.854 0.000 2.177) 4.426 2.585 ( 6.032 0.000 -1.614) 6.244 2.614 ( 5.144 0.000 3.385) 6.158 2.635 ( -1.707 0.000 -3.892) 4.250 2.712 ( 1.540 0.000 -2.505) 2.940 2.829 ( -5.354 0.000 3.429) 6.358 2.868 ( 1.859 0.000 -4.779) 5.128 2.886 ( -4.445 0.000 -0.055) 4.446 2.932 ( 4.205 0.000 0.609) 4.249 3.049 ( 12.036 0.000 2.893) 12.378 3.104 ( 0.733 0.000 2.445) 2.553 3.150 ( 0.675 0.000 -6.345) 6.380 3.273 ( -6.378 0.000 0.272) 6.384 3.367 ( 4.560 0.000 1.462) 4.789 3.404 ( -1.592 0.000 -4.317) 4.601 3.496 ( -5.562 0.000 6.492) 8.549 3.536 ( 5.258 0.000 -1.910) 5.594 3.589 ( 13.381 0.000 -0.747) 13.402 3.608 ( -1.457 0.000 6.187) 6.356 3.652 ( -1.949 0.000 1.461) 2.436 3.872 ( 0.745 0.000 0.068) 0.748 3.944 ( 1.404 0.000 -4.267) 4.492 4.258 ( 0.041 0.000 -1.519) 1.519 4.308 ( 3.992 0.000 -1.129) 4.148 4.660 ( -7.700 0.000 4.147) 8.746 4.714 ( 1.829 0.000 5.226) 5.537 4.870 ( -2.023 0.000 -6.544) 6.850 5.220 ( -1.196 0.000 0.546) 1.315 5.281 ( 10.154 0.000 9.577) 13.958 5.318 ( 0.754 0.000 0.789) 1.091 5.947 ( -5.404 0.000 -7.740) 9.440 6.308 ( 13.903 0.000 7.198) 15.656 6.459 ( 0.722 0.000 1.838) 1.975 6.531 ( -2.767 0.000 -9.086) 9.498 6.897 ( -1.195 0.000 -1.659) 2.045 6.953 ( 2.786 0.000 2.343) 3.640 8.453 ( -0.923 0.000 4.171) 4.272 8.643 ( -3.001 0.000 -5.700) 6.442 8.748 ( -2.252 0.000 11.310) 11.532 8.895 ( -7.067 0.000 -4.561) 8.411 9.017 ( -4.387 0.000 -0.376) 4.403 9.054 ( -1.559 0.000 -5.772) 5.979 9.382 ( -5.180 0.000 -4.598) 6.926 9.472 ( -1.862 0.000 -2.635) 3.227 9.577 ( 2.381 0.000 6.538) 6.958 9.665 ( 3.091 0.000 -3.146) 4.410 9.678 ( 7.907 0.000 -1.243) 8.004 9.962 ( 9.079 0.000 0.145) 9.080 10.103 ( -0.043 0.000 1.001) 1.002 10.109 ( 3.114 0.000 4.585) 5.542 12.611 ( -1.610 0.000 -1.115) 1.958 12.755 ( 4.465 0.000 1.103) 4.599 20.298 ( 1.087 0.000 0.393) 1.156 20.418 ( 4.263 0.000 -3.213) 5.338 21.198 ( -6.073 0.000 0.687) 6.112 21.246 ( -2.892 0.000 -0.249) 2.903 21.323 ( -1.804 0.000 4.287) 4.651 21.358 ( -5.059 0.000 2.477) 5.633 21.683 ( -8.304 0.000 -4.278) 9.341 21.874 ( -8.543 0.000 1.888) 8.749 22.432 ( 5.905 0.000 -8.367) 10.241 22.538 ( 7.302 0.000 7.696) 10.609 22.810 ( -0.130 0.000 0.473) 0.491 22.871 ( 0.688 0.000 -0.606) 0.916 23.997 ( 0.670 0.000 1.677) 1.806 24.162 ( 4.293 0.000 -4.328) 6.096 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -1.429 0.000 -5.213) 5.405 0.642 ( -18.632 0.000 -4.989) 19.289 0.674 ( -19.838 0.000 -5.191) 20.506 1.203 ( -34.750 0.000 -0.082) 34.750 1.328 ( 3.625 0.000 1.383) 3.880 1.422 ( 1.851 0.000 -1.713) 2.523 1.471 ( 1.611 0.000 3.532) 3.882 1.628 ( -3.743 0.000 -0.431) 3.767 1.670 ( -1.525 0.000 5.170) 5.390 1.777 ( 1.020 0.000 2.226) 2.448 1.810 ( -1.065 0.000 -0.414) 1.143 1.963 ( -0.201 0.000 -1.681) 1.693 2.017 ( -4.847 0.000 0.352) 4.860 2.050 ( -1.193 0.000 -0.077) 1.195 2.075 ( -0.702 0.000 -0.054) 0.704 2.138 ( -0.739 0.000 3.726) 3.799 2.147 ( 7.120 0.000 3.406) 7.893 2.198 ( -2.348 0.000 0.667) 2.441 2.245 ( -3.951 0.000 -5.236) 6.559 2.308 ( 0.914 0.000 0.653) 1.124 2.331 ( -0.265 0.000 -2.176) 2.192 2.401 ( 1.822 0.000 -2.158) 2.824 2.419 ( 3.079 0.000 5.457) 6.266 2.457 ( 11.351 0.000 -4.936) 12.378 2.479 ( -5.914 0.000 -0.366) 5.925 2.591 ( -1.557 0.000 0.981) 1.840 2.625 ( -1.978 0.000 -2.002) 2.814 2.680 ( 2.814 0.000 -0.732) 2.908 2.747 ( 3.363 0.000 -1.591) 3.720 2.784 ( -2.912 0.000 2.978) 4.165 2.832 ( -1.828 0.000 1.767) 2.543 2.876 ( 2.955 0.000 -0.904) 3.090 2.936 ( -0.798 0.000 -5.491) 5.549 3.069 ( -3.272 0.000 -6.863) 7.603 3.115 ( -0.768 0.000 1.180) 1.408 3.140 ( -2.153 0.000 1.361) 2.547 3.240 ( 1.851 0.000 -0.772) 2.005 3.422 ( 8.546 0.000 -4.451) 9.636 3.428 ( 6.279 0.000 -4.494) 7.722 3.525 ( 1.747 0.000 5.307) 5.587 3.577 ( 2.607 0.000 -4.626) 5.310 3.653 ( -0.624 0.000 4.568) 4.610 3.674 ( -0.254 0.000 8.315) 8.319 3.804 ( 8.045 0.000 2.797) 8.517 3.893 ( 0.084 0.000 3.223) 3.224 3.945 ( 4.287 0.000 -2.161) 4.801 4.259 ( -1.024 0.000 2.915) 3.090 4.356 ( 2.564 0.000 -0.688) 2.655 4.563 ( -6.528 0.000 1.105) 6.621 4.779 ( -1.370 0.000 -5.074) 5.256 4.796 ( 1.669 0.000 4.044) 4.375 5.193 ( -0.045 0.000 -4.397) 4.398 5.343 ( 1.218 0.000 0.431) 1.292 5.551 ( 9.368 0.000 10.354) 13.963 5.799 ( -3.365 0.000 -4.853) 5.905 6.382 ( -3.645 0.000 -6.649) 7.582 6.461 ( -2.095 0.000 0.259) 2.111 6.598 ( 11.863 0.000 4.621) 12.732 6.871 ( -0.053 0.000 -1.156) 1.157 7.054 ( 6.429 0.000 2.054) 6.749 8.467 ( -2.381 0.000 2.908) 3.758 8.524 ( -4.304 0.000 -3.600) 5.612 8.716 ( -8.830 0.000 -4.004) 9.695 8.820 ( -3.168 0.000 7.915) 8.525 8.964 ( -3.035 0.000 2.287) 3.800 8.965 ( -2.486 0.000 -2.547) 3.559 9.237 ( -5.764 0.000 -4.682) 7.426 9.412 ( -1.202 0.000 -3.863) 4.046 9.609 ( -0.214 0.000 -0.093) 0.233 9.757 ( 6.037 0.000 2.110) 6.395 9.771 ( 6.872 0.000 -3.793) 7.849 10.061 ( 2.536 0.000 0.244) 2.548 10.170 ( 6.997 0.000 0.503) 7.015 10.204 ( 3.706 0.000 1.304) 3.929 12.580 ( -1.175 0.000 -0.165) 1.187 12.841 ( 4.669 0.000 0.478) 4.693 20.330 ( 1.602 0.000 1.339) 2.088 20.452 ( 4.752 0.000 -4.627) 6.632 21.103 ( -5.757 0.000 0.725) 5.803 21.172 ( -5.103 0.000 -1.876) 5.436 21.285 ( -5.465 0.000 0.732) 5.514 21.341 ( -1.349 0.000 3.501) 3.752 21.542 ( -4.467 0.000 -2.513) 5.125 21.635 ( -16.296 0.000 -3.456) 16.658 22.548 ( 11.638 0.000 -1.841) 11.783 22.761 ( 5.743 0.000 13.672) 14.829 22.822 ( 0.622 0.000 0.860) 1.062 22.884 ( 0.738 0.000 3.273) 3.356 24.020 ( 0.254 0.000 1.340) 1.364 24.141 ( 2.494 0.000 -11.642) 11.906 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -15.304 0.000 8.933) 17.721 0.362 ( -16.084 0.000 8.287) 18.093 0.604 ( 4.185 0.000 8.122) 9.137 0.721 ( -32.973 0.000 16.308) 36.786 1.408 ( 0.247 0.000 -3.506) 3.514 1.411 ( 2.334 0.000 3.704) 4.378 1.521 ( -2.542 0.000 6.293) 6.787 1.575 ( -2.405 0.000 -0.062) 2.405 1.724 ( 1.553 0.000 1.905) 2.457 1.759 ( -1.005 0.000 -5.376) 5.469 1.779 ( -1.668 0.000 -1.989) 2.595 1.920 ( -0.068 0.000 -5.437) 5.438 1.924 ( -3.225 0.000 -1.600) 3.600 2.039 ( -1.113 0.000 -3.245) 3.431 2.076 ( 3.283 0.000 0.094) 3.285 2.132 ( -1.337 0.000 0.482) 1.421 2.166 ( -3.662 0.000 -1.741) 4.055 2.185 ( -0.046 0.000 2.785) 2.786 2.196 ( -2.076 0.000 -0.860) 2.247 2.331 ( 2.337 0.000 0.832) 2.481 2.350 ( 4.249 0.000 -1.974) 4.685 2.390 ( -2.941 0.000 1.690) 3.392 2.446 ( 0.868 0.000 1.568) 1.792 2.456 ( 1.465 0.000 -0.198) 1.478 2.541 ( -4.203 0.000 -0.276) 4.212 2.585 ( -1.721 0.000 2.671) 3.177 2.622 ( 0.757 0.000 -0.093) 0.763 2.666 ( 3.635 0.000 -2.162) 4.229 2.723 ( -3.584 0.000 1.337) 3.825 2.822 ( 0.084 0.000 -2.539) 2.540 2.836 ( 5.826 0.000 -2.623) 6.389 2.910 ( 2.970 0.000 2.334) 3.777 2.927 ( 0.637 0.000 -1.709) 1.824 3.069 ( 8.527 0.000 5.259) 10.018 3.105 ( -1.268 0.000 -0.698) 1.447 3.139 ( -1.734 0.000 -1.762) 2.472 3.149 ( -3.612 0.000 -5.552) 6.624 3.433 ( 0.414 0.000 -6.804) 6.816 3.484 ( 4.878 0.000 -6.704) 8.291 3.533 ( 1.455 0.000 -1.036) 1.786 3.655 ( 5.225 0.000 3.877) 6.506 3.682 ( -0.012 0.000 -0.927) 0.927 3.767 ( 1.954 0.000 3.594) 4.091 3.840 ( -1.319 0.000 -0.249) 1.342 4.015 ( 9.007 0.000 15.691) 18.092 4.085 ( 5.356 0.000 6.879) 8.718 4.277 ( -2.387 0.000 5.030) 5.567 4.367 ( 0.155 0.000 -0.752) 0.768 4.505 ( -1.606 0.000 0.444) 1.666 4.728 ( 0.475 0.000 -1.596) 1.665 4.843 ( -0.528 0.000 1.814) 1.890 5.070 ( -6.166 0.000 -14.575) 15.825 5.358 ( 0.617 0.000 -0.707) 0.939 5.720 ( 2.816 0.000 -8.778) 9.218 5.768 ( 0.483 0.000 4.866) 4.890 6.297 ( -0.337 0.000 -1.833) 1.864 6.445 ( -1.388 0.000 5.999) 6.158 6.765 ( 4.446 0.000 1.390) 4.658 6.868 ( 1.079 0.000 -0.274) 1.113 7.170 ( 6.164 0.000 -2.489) 6.647 8.428 ( -3.896 0.000 -3.490) 5.231 8.441 ( -2.868 0.000 1.016) 3.043 8.546 ( -6.368 0.000 -2.942) 7.015 8.793 ( -3.439 0.000 -0.268) 3.449 8.964 ( -2.023 0.000 5.607) 5.961 8.965 ( -2.390 0.000 4.448) 5.049 9.132 ( -1.849 0.000 -0.776) 2.006 9.388 ( 2.689 0.000 4.961) 5.643 9.618 ( 2.272 0.000 -0.058) 2.273 9.827 ( 5.884 0.000 -4.566) 7.448 9.856 ( 2.877 0.000 3.362) 4.425 10.090 ( 0.170 0.000 1.325) 1.336 10.215 ( -0.449 0.000 -5.725) 5.743 10.272 ( 5.412 0.000 -1.814) 5.708 12.572 ( -0.519 0.000 1.419) 1.511 12.901 ( 2.809 0.000 -1.128) 3.027 20.371 ( 0.462 0.000 2.531) 2.573 20.473 ( 3.417 0.000 0.187) 3.422 21.052 ( -0.089 0.000 -0.573) 0.580 21.059 ( -4.146 0.000 -2.231) 4.708 21.220 ( -3.355 0.000 0.862) 3.464 21.334 ( -12.584 0.000 2.414) 12.813 21.363 ( -2.069 0.000 -3.867) 4.385 21.415 ( -8.058 0.000 -9.362) 12.352 22.703 ( 6.922 0.000 1.192) 7.023 22.844 ( 0.803 0.000 0.751) 1.100 22.858 ( 0.835 0.000 0.174) 0.853 23.162 ( 10.777 0.000 10.125) 14.787 24.000 ( 0.272 0.000 -1.115) 1.148 24.038 ( -0.157 0.000 1.910) 1.917 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -3.735 11.359 6.853) 13.781 0.604 ( -0.142 13.569 13.333) 19.024 0.908 ( 1.672 8.026 14.846) 16.959 1.067 ( 2.955 24.240 19.276) 31.110 1.362 ( -0.527 0.731 -1.878) 2.083 1.392 ( -3.187 -9.341 -7.320) 12.289 1.458 ( -0.385 -1.972 5.303) 5.671 1.537 ( -0.181 -3.251 -0.901) 3.379 1.581 ( -4.192 -3.481 -0.205) 5.452 1.735 ( 0.255 -1.098 -2.061) 2.349 1.745 ( 4.696 1.174 -2.776) 5.580 1.813 ( 0.627 -2.568 -1.757) 3.174 1.900 ( 1.132 0.491 -4.772) 4.929 1.971 ( 0.182 -1.146 -4.981) 5.115 2.027 ( -1.548 -2.702 -2.123) 3.769 2.110 ( -1.946 -4.346 -1.572) 5.015 2.148 ( 0.563 -1.146 -1.079) 1.672 2.153 ( -0.361 -2.805 -0.850) 2.953 2.231 ( 0.813 2.689 -3.261) 4.304 2.286 ( 0.708 1.322 -0.485) 1.576 2.328 ( 1.023 -1.149 -0.711) 1.695 2.455 ( -0.929 0.575 -0.516) 1.208 2.496 ( -0.828 0.918 4.933) 5.085 2.514 ( -2.460 4.347 1.938) 5.357 2.547 ( 1.463 -0.618 -2.224) 2.733 2.566 ( -2.338 2.110 -1.150) 3.353 2.629 ( 3.997 2.671 3.863) 6.167 2.675 ( -0.127 -0.101 -0.177) 0.240 2.734 ( -2.323 -1.920 -4.956) 5.800 2.772 ( 1.969 -0.909 -1.627) 2.711 2.853 ( 4.091 0.474 -1.443) 4.364 2.944 ( 4.034 -0.693 1.570) 4.384 2.990 ( 0.098 0.175 -3.615) 3.621 3.026 ( 3.169 1.182 -1.913) 3.886 3.087 ( -1.414 1.111 -3.626) 4.048 3.113 ( -0.408 -0.316 0.520) 0.733 3.156 ( -2.644 -0.237 -1.360) 2.983 3.359 ( 1.829 -1.525 -4.096) 4.737 3.423 ( -1.645 -5.427 0.434) 5.688 3.487 ( -0.161 -2.321 -6.090) 6.519 3.531 ( -1.651 -3.585 -3.562) 5.317 3.701 ( 0.477 -1.562 -2.837) 3.274 3.905 ( 0.020 3.069 1.545) 3.436 3.989 ( 1.156 10.159 -3.105) 10.685 4.122 ( -2.626 -4.027 11.319) 12.298 4.251 ( -3.017 -0.902 2.583) 4.073 4.372 ( -0.004 0.673 2.114) 2.219 4.412 ( 5.390 -3.055 -0.417) 6.209 4.500 ( -13.101 -1.564 -0.459) 13.202 4.627 ( 5.726 1.351 -3.598) 6.896 4.811 ( 3.701 2.373 2.737) 5.179 4.883 ( -0.615 -3.183 4.971) 5.935 5.249 ( -0.182 -1.871 1.655) 2.505 5.563 ( -3.930 -2.095 -11.529) 12.360 6.103 ( 4.537 12.375 12.026) 17.842 6.354 ( 2.411 1.012 2.549) 3.652 6.423 ( -5.156 -0.500 1.387) 5.363 6.734 ( -1.751 -4.810 -0.636) 5.158 6.863 ( 0.978 -0.145 -0.394) 1.064 7.161 ( -0.025 -1.091 -5.708) 5.811 8.365 ( 1.191 -0.711 -0.873) 1.639 8.383 ( -1.283 -1.220 -1.086) 2.077 8.511 ( 3.313 0.916 0.931) 3.561 8.657 ( -2.428 -2.982 -3.200) 5.003 9.004 ( -0.446 2.230 2.049) 3.062 9.009 ( -0.912 4.687 1.979) 5.169 9.184 ( -0.245 -0.146 -0.271) 0.393 9.483 ( 3.709 -4.190 -0.550) 5.623 9.593 ( -0.899 -0.562 2.528) 2.741 9.897 ( 4.209 2.107 -4.818) 6.736 9.940 ( -1.890 -1.464 2.639) 3.560 10.079 ( -3.754 -0.907 0.757) 3.935 10.186 ( 2.004 0.258 -2.023) 2.859 10.271 ( 0.319 -2.113 -2.189) 3.060 12.666 ( 0.811 5.476 4.469) 7.115 12.931 ( 0.659 0.537 -0.330) 0.912 20.434 ( -0.729 2.819 -1.603) 3.324 20.663 ( 7.528 -4.179 -3.470) 9.283 20.975 ( -6.920 -1.573 1.538) 7.261 21.028 ( 0.262 -1.002 0.309) 1.080 21.122 ( -3.596 -0.025 -1.380) 3.852 21.181 ( 8.319 0.725 -3.795) 9.172 21.268 ( -3.405 3.406 2.808) 5.575 21.411 ( 2.238 1.490 -1.105) 2.907 22.774 ( -0.682 -0.910 3.201) 3.397 22.840 ( -5.402 -4.050 4.138) 7.919 22.875 ( -3.280 0.228 1.408) 3.577 22.884 ( 0.069 0.819 0.899) 1.219 24.044 ( -0.266 0.698 1.769) 1.920 24.291 ( 5.946 -4.450 -1.920) 7.671 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 9.433 8.577 7.346) 14.714 0.862 ( 9.145 5.822 15.349) 18.791 1.025 ( -4.613 4.251 11.591) 13.180 1.270 ( 2.833 -11.389 -8.596) 14.547 1.314 ( 2.452 1.897 1.477) 3.433 1.394 ( 2.988 7.016 7.406) 10.630 1.503 ( 0.938 3.775 4.915) 6.268 1.572 ( -3.146 -2.109 6.684) 7.683 1.581 ( 8.048 1.359 1.048) 8.229 1.725 ( 1.711 -3.280 -2.094) 4.251 1.778 ( -1.596 1.305 -2.098) 2.942 1.797 ( 5.679 1.634 -4.400) 7.367 1.894 ( 2.301 -3.726 -2.602) 5.094 1.911 ( 0.334 -0.266 -2.808) 2.840 2.028 ( 1.226 0.440 0.937) 1.605 2.068 ( -0.665 -2.224 -1.723) 2.891 2.100 ( -1.413 -0.189 -6.491) 6.646 2.133 ( 0.826 -1.719 -3.080) 3.623 2.208 ( 1.293 -2.106 -3.223) 4.061 2.286 ( -0.794 3.038 1.029) 3.305 2.316 ( -0.005 0.242 -2.324) 2.336 2.434 ( -1.978 -0.532 1.292) 2.422 2.487 ( -1.357 -0.388 2.507) 2.877 2.520 ( -0.548 -3.197 0.867) 3.358 2.561 ( -0.070 0.294 -4.169) 4.180 2.579 ( 1.324 2.199 2.957) 3.915 2.644 ( 0.377 2.069 -2.237) 3.070 2.646 ( -0.582 -0.617 -0.299) 0.900 2.753 ( 1.271 -0.280 3.723) 3.944 2.777 ( 1.171 1.830 -1.406) 2.588 2.899 ( 2.027 0.132 -0.932) 2.235 2.960 ( 2.451 1.887 -4.161) 5.185 3.016 ( 1.311 -0.676 -3.635) 3.923 3.030 ( 1.141 1.276 -1.331) 2.168 3.069 ( 1.944 -1.244 -0.508) 2.364 3.116 ( 2.782 0.187 -0.099) 2.790 3.149 ( 1.391 -1.107 2.236) 2.856 3.293 ( -4.572 -1.003 -8.881) 10.039 3.377 ( 0.914 -2.973 0.679) 3.183 3.426 ( -3.162 -3.001 -1.330) 4.558 3.500 ( 0.581 0.241 -0.948) 1.137 3.648 ( -1.668 -1.594 -4.452) 5.014 3.840 ( -5.600 7.913 -3.108) 10.180 3.988 ( -0.317 3.995 0.376) 4.025 4.107 ( -11.620 -2.243 6.770) 13.634 4.172 ( -10.164 0.056 6.782) 12.219 4.354 ( -0.428 -0.953 1.988) 2.246 4.390 ( -3.327 0.761 5.295) 6.300 4.472 ( 3.008 -2.744 0.366) 4.088 4.658 ( 2.898 2.371 -8.246) 9.057 4.886 ( 0.953 -2.078 2.614) 3.472 4.964 ( 2.839 -6.103 1.032) 6.810 5.252 ( -0.517 -0.699 0.171) 0.886 5.375 ( -4.737 0.271 -7.720) 9.061 6.249 ( -4.372 7.451 12.333) 15.058 6.388 ( 0.257 1.069 0.390) 1.167 6.494 ( 7.972 -0.091 4.003) 8.921 6.638 ( -6.266 -0.718 -3.469) 7.198 6.885 ( 0.521 -1.320 1.562) 2.110 7.025 ( -5.086 1.595 -7.386) 9.109 8.353 ( 0.771 -0.288 -2.256) 2.401 8.442 ( 6.957 -1.506 0.461) 7.133 8.564 ( -0.401 -0.202 -3.722) 3.749 8.654 ( 8.114 -0.003 0.948) 8.169 8.999 ( -0.508 1.877 2.163) 2.909 9.084 ( 5.451 3.128 1.864) 6.555 9.246 ( 2.514 -5.628 5.015) 7.946 9.486 ( 1.448 -3.725 -5.729) 6.986 9.588 ( -3.419 0.771 2.368) 4.230 9.894 ( -4.124 -3.953 2.470) 6.224 9.910 ( 2.328 0.372 -3.592) 4.297 10.019 ( -7.884 1.356 4.322) 9.093 10.121 ( -3.498 -0.103 -6.035) 6.977 10.218 ( -4.505 -0.689 -1.586) 4.826 12.717 ( -1.266 5.245 5.266) 7.540 12.885 ( -3.650 3.026 -2.731) 5.471 20.416 ( -1.348 2.527 0.724) 2.954 20.648 ( -3.452 -5.019 -2.927) 6.758 20.988 ( 7.671 -0.938 -1.407) 7.855 21.033 ( 0.555 -1.790 0.389) 1.914 21.114 ( 4.149 2.615 -2.007) 5.299 21.265 ( 0.976 3.781 0.201) 3.910 21.362 ( 14.575 -1.148 -1.376) 14.685 21.467 ( 5.432 0.149 -0.052) 5.435 22.705 ( -10.162 -1.220 4.091) 11.022 22.797 ( -4.211 -0.898 3.645) 5.641 22.867 ( -1.457 1.344 1.101) 2.267 22.905 ( 0.632 0.932 1.170) 1.624 24.047 ( -2.215 -0.114 2.083) 3.043 24.279 ( -1.941 -5.528 -4.156) 7.183 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 10.544 2.357 4.543) 11.721 1.070 ( 3.163 6.302 4.984) 8.635 1.138 ( 9.071 1.759 4.832) 10.427 1.253 ( 1.801 -2.845 -5.112) 6.122 1.348 ( 3.013 0.117 -1.269) 3.271 1.465 ( -3.337 -2.336 8.241) 9.193 1.570 ( -0.151 2.307 3.482) 4.180 1.604 ( 3.480 1.081 -0.769) 3.724 1.699 ( 2.164 -0.309 -0.105) 2.189 1.728 ( 3.558 -2.802 -3.677) 5.833 1.751 ( -0.475 1.287 0.885) 1.632 1.839 ( 2.993 0.715 -3.120) 4.382 1.886 ( 2.619 -6.503 -0.875) 7.065 1.962 ( 1.137 -2.098 -1.142) 2.645 2.027 ( 1.172 -2.197 -2.016) 3.203 2.053 ( 3.051 1.550 -1.884) 3.906 2.119 ( 0.643 -2.042 -1.728) 2.751 2.154 ( 6.362 3.606 9.848) 12.266 2.196 ( -0.246 0.307 0.126) 0.413 2.283 ( -0.226 1.587 0.286) 1.628 2.309 ( 2.527 -0.406 -1.544) 2.989 2.407 ( -2.883 0.227 -2.809) 4.031 2.433 ( -0.826 1.612 0.082) 1.813 2.510 ( 1.266 -3.227 -2.500) 4.274 2.565 ( -0.240 1.109 -4.420) 4.564 2.583 ( -0.816 -0.165 -0.623) 1.040 2.628 ( -0.637 -0.443 1.561) 1.743 2.707 ( 0.093 -3.594 4.032) 5.402 2.761 ( 1.352 2.110 1.032) 2.710 2.816 ( 2.244 1.648 1.164) 3.018 2.861 ( -2.827 -2.200 -1.222) 3.785 2.932 ( -1.430 -2.254 -5.523) 6.134 2.983 ( 3.141 4.065 -4.596) 6.893 3.045 ( 0.253 2.230 -2.676) 3.493 3.092 ( 0.669 1.144 1.814) 2.247 3.111 ( -0.071 -1.001 -3.020) 3.182 3.188 ( 1.343 3.269 -1.749) 3.943 3.260 ( 4.920 -0.695 2.318) 5.483 3.344 ( -2.890 5.280 -2.491) 6.514 3.394 ( -0.475 -3.848 -0.116) 3.879 3.523 ( -0.474 -0.599 3.681) 3.759 3.581 ( -1.054 -0.842 -1.979) 2.395 3.712 ( -5.939 4.057 -1.219) 7.295 3.916 ( -6.986 2.026 -1.102) 7.357 4.034 ( -5.129 -2.460 5.474) 7.894 4.092 ( -10.012 -1.740 6.619) 12.128 4.356 ( -1.725 -0.775 -0.669) 2.006 4.414 ( -0.365 -0.683 4.538) 4.603 4.545 ( 2.981 -1.628 4.043) 5.281 4.591 ( 0.093 1.292 -6.860) 6.981 4.837 ( -3.886 -6.249 -6.520) 9.832 5.009 ( 1.717 -2.115 2.144) 3.467 5.251 ( -0.875 0.582 2.139) 2.383 5.274 ( -1.327 0.183 -2.347) 2.702 6.269 ( -2.804 5.638 3.755) 7.332 6.302 ( -9.328 4.917 -5.847) 12.057 6.519 ( -2.422 3.788 1.982) 4.914 6.673 ( 4.735 -4.407 4.025) 7.618 6.891 ( -1.072 -0.699 -2.808) 3.086 6.924 ( -0.588 -1.385 1.064) 1.843 8.354 ( 2.013 1.540 -1.587) 2.991 8.517 ( 0.512 1.817 -3.735) 4.185 8.580 ( 8.243 -0.891 0.990) 8.349 8.816 ( 8.724 -2.307 1.700) 9.182 9.044 ( 1.985 -0.672 3.452) 4.038 9.208 ( 6.633 1.818 1.646) 7.072 9.327 ( 1.488 -5.970 2.957) 6.827 9.416 ( -0.192 -4.736 -7.806) 9.133 9.547 ( -4.191 3.381 2.206) 5.818 9.841 ( -6.012 -1.414 0.421) 6.190 9.869 ( -5.208 -1.586 -1.693) 5.702 9.942 ( -4.739 -1.931 1.738) 5.404 9.993 ( -4.492 1.079 -3.199) 5.619 10.122 ( -3.525 1.628 -0.675) 3.941 12.735 ( -2.579 3.563 3.752) 5.781 12.782 ( -4.099 3.119 -3.315) 6.126 20.402 ( -1.513 3.391 0.930) 3.828 20.558 ( -4.268 0.535 -1.173) 4.458 21.059 ( 2.940 -0.520 0.450) 3.019 21.114 ( 6.035 -4.652 -0.394) 7.630 21.192 ( 8.266 4.191 -2.151) 9.514 21.294 ( 2.960 3.819 0.033) 4.832 21.560 ( 6.109 -4.013 -1.693) 7.503 21.604 ( 15.988 -0.191 -0.971) 16.018 22.580 ( -9.400 -0.838 2.260) 9.704 22.756 ( -6.093 -2.344 4.539) 7.951 22.853 ( -1.541 1.579 1.303) 2.562 22.921 ( -0.412 1.330 1.256) 1.876 24.016 ( -3.280 0.063 0.663) 3.347 24.184 ( -3.413 -4.254 -3.884) 6.696 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 7.520 -1.673 1.720) 7.893 1.084 ( 0.479 1.275 -11.407) 11.488 1.289 ( 8.067 7.345 -4.524) 11.811 1.303 ( 7.744 4.726 -0.523) 9.088 1.382 ( -0.789 1.906 7.656) 7.929 1.489 ( 1.103 0.932 1.507) 2.087 1.573 ( 0.876 -0.681 -0.789) 1.361 1.674 ( 0.447 -1.168 4.366) 4.542 1.711 ( 0.659 -0.035 -0.047) 0.661 1.754 ( -0.870 0.365 -0.307) 0.992 1.766 ( 3.500 -0.531 2.047) 4.089 1.856 ( 1.705 -1.336 -0.821) 2.316 1.931 ( 1.377 -4.486 0.635) 4.735 1.975 ( -0.619 -5.907 -1.286) 6.077 2.031 ( 4.451 -0.235 -0.324) 4.469 2.055 ( -1.687 0.162 -0.467) 1.758 2.103 ( -0.788 -0.707 0.453) 1.151 2.206 ( 1.476 0.760 1.328) 2.126 2.276 ( -0.635 -2.096 0.650) 2.284 2.323 ( 0.168 0.488 0.263) 0.579 2.361 ( 0.280 -1.844 1.396) 2.330 2.374 ( 0.032 2.321 1.844) 2.964 2.447 ( -1.381 -1.187 -1.712) 2.499 2.462 ( 1.301 -1.421 -3.897) 4.347 2.498 ( -4.752 0.199 -1.202) 4.905 2.579 ( 5.322 0.437 -2.084) 5.732 2.602 ( 1.132 -2.930 -0.210) 3.148 2.697 ( 0.551 -0.773 -1.747) 1.989 2.816 ( -0.217 -0.141 0.176) 0.313 2.836 ( -0.869 -1.423 -0.496) 1.740 2.840 ( 1.781 3.874 1.348) 4.472 2.907 ( 2.216 -1.124 -1.395) 2.849 2.965 ( -1.114 5.630 -4.951) 7.580 3.030 ( 1.366 2.791 2.656) 4.088 3.109 ( 3.090 0.604 -0.943) 3.287 3.153 ( 1.709 -0.397 2.677) 3.201 3.195 ( 1.958 4.685 0.351) 5.090 3.278 ( -0.916 7.630 -2.459) 8.069 3.328 ( 1.796 0.477 -3.999) 4.409 3.372 ( -1.963 1.176 1.823) 2.926 3.545 ( -1.967 -3.240 4.421) 5.823 3.553 ( -3.791 0.999 2.231) 4.511 3.660 ( -0.408 -2.103 0.250) 2.157 3.805 ( -4.881 0.680 -0.990) 5.026 3.972 ( -9.531 -2.841 2.059) 10.156 4.010 ( -3.316 -3.779 1.682) 5.302 4.310 ( -1.874 -1.305 -1.538) 2.753 4.417 ( -1.294 -3.023 -3.596) 4.872 4.558 ( 2.659 -1.365 0.789) 3.091 4.645 ( -0.018 -2.100 7.039) 7.346 4.718 ( -2.650 1.648 -2.683) 4.115 5.037 ( 0.768 -1.946 -1.321) 2.475 5.246 ( -1.000 -0.204 0.365) 1.084 5.279 ( -0.368 -1.244 3.689) 3.910 6.073 ( -5.959 7.921 -7.434) 12.390 6.277 ( -2.518 6.713 3.728) 8.081 6.488 ( -3.226 -0.659 -0.191) 3.298 6.731 ( -0.170 -3.509 -0.568) 3.559 6.871 ( 2.051 -0.473 -0.943) 2.306 6.946 ( 0.048 -2.089 1.799) 2.757 8.383 ( 2.201 3.180 0.449) 3.893 8.505 ( 1.084 2.786 -0.681) 3.066 8.707 ( 5.733 -1.240 0.768) 5.916 8.953 ( 5.830 -3.927 1.056) 7.108 9.115 ( 1.861 -3.598 1.813) 4.438 9.287 ( 1.776 -1.778 -0.704) 2.609 9.317 ( 0.860 -1.946 -4.825) 5.273 9.415 ( 3.914 -2.294 1.971) 4.946 9.504 ( -3.928 4.238 1.808) 6.055 9.685 ( -5.834 2.857 -7.034) 9.575 9.765 ( -7.506 -2.115 2.078) 8.070 9.878 ( -3.221 -3.618 -1.982) 5.234 9.925 ( -3.508 0.215 3.104) 4.689 10.118 ( 1.016 1.188 1.130) 1.928 12.696 ( -1.935 1.872 -2.488) 3.665 12.723 ( -2.750 1.615 1.692) 3.610 20.386 ( -1.333 4.551 0.262) 4.749 20.489 ( -2.579 3.450 -1.324) 4.506 21.117 ( 2.936 -1.031 1.131) 3.311 21.190 ( 3.188 -3.992 1.364) 5.288 21.284 ( 2.533 -0.219 1.446) 2.925 21.380 ( 8.243 8.335 -1.718) 11.848 21.612 ( 3.471 -6.280 -2.442) 7.579 21.840 ( 13.385 1.458 -0.072) 13.464 22.445 ( -7.832 0.593 -1.602) 8.016 22.705 ( -6.076 -5.389 3.941) 9.027 22.846 ( -1.004 1.147 0.961) 1.802 22.919 ( -1.255 1.256 0.804) 1.949 23.968 ( -2.190 0.661 -0.326) 2.310 24.105 ( -1.999 -3.242 -2.108) 4.353 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 4.566 3.010 -9.084) 10.603 1.142 ( 1.706 -3.758 -0.640) 4.176 1.259 ( -2.538 4.567 -5.329) 7.463 1.357 ( 7.860 1.282 -6.631) 10.363 1.470 ( 1.544 2.219 -2.232) 3.506 1.521 ( 2.357 4.202 -2.488) 5.423 1.600 ( -3.664 1.338 2.959) 4.896 1.712 ( -1.655 -0.215 7.160) 7.352 1.739 ( 2.829 -1.739 0.086) 3.322 1.760 ( -2.260 -1.874 2.956) 4.166 1.821 ( -2.371 4.671 1.613) 5.481 1.831 ( 0.758 -3.564 0.517) 3.680 1.950 ( 1.285 0.652 1.176) 1.860 1.974 ( 2.539 -4.395 0.873) 5.150 2.019 ( -1.427 -1.054 0.139) 1.780 2.107 ( 0.577 -1.590 3.541) 3.925 2.128 ( 2.840 -0.252 -0.152) 2.856 2.226 ( 0.015 -0.829 1.034) 1.325 2.262 ( -5.003 -0.476 -3.890) 6.355 2.288 ( 1.904 -1.260 0.532) 2.344 2.310 ( -2.967 0.444 -0.254) 3.011 2.357 ( -0.353 -1.021 2.969) 3.159 2.402 ( 0.297 -0.802 -4.815) 4.890 2.485 ( 2.221 3.494 2.104) 4.644 2.531 ( 3.994 -4.102 5.328) 7.821 2.569 ( -1.314 -1.884 -1.180) 2.582 2.680 ( 2.519 0.984 -3.301) 4.268 2.730 ( 2.436 -3.436 -0.535) 4.246 2.774 ( -1.706 -0.346 -3.252) 3.689 2.814 ( 0.489 2.738 -2.391) 3.668 2.873 ( -0.109 1.172 1.530) 1.931 2.906 ( 0.122 2.344 -2.674) 3.558 2.948 ( 2.402 3.050 2.206) 4.465 3.070 ( -0.608 0.749 1.956) 2.181 3.129 ( 2.060 -1.927 -2.861) 4.018 3.171 ( -4.188 5.345 -1.414) 6.936 3.203 ( 2.213 -2.151 1.204) 3.313 3.248 ( -2.718 7.671 -7.433) 11.021 3.350 ( 7.371 7.655 -0.265) 10.630 3.379 ( -0.086 -1.482 5.355) 5.558 3.533 ( -2.355 1.249 4.602) 5.319 3.565 ( -1.175 0.147 3.491) 3.686 3.631 ( -2.332 -4.132 -1.807) 5.077 3.727 ( -5.260 0.956 0.888) 5.419 3.860 ( -2.456 -4.547 -2.673) 5.818 3.990 ( -0.514 -4.387 -0.257) 4.425 4.269 ( -0.810 -0.397 -1.543) 1.788 4.344 ( -0.413 -1.713 -5.432) 5.711 4.655 ( -1.418 0.553 4.907) 5.137 4.664 ( 1.523 -3.842 5.109) 6.571 4.726 ( 0.086 0.060 5.522) 5.523 5.016 ( 0.367 -1.441 -3.832) 4.111 5.236 ( -0.963 -0.602 0.831) 1.408 5.299 ( -1.708 -2.590 2.537) 4.008 5.993 ( 2.381 7.127 -1.585) 7.680 6.240 ( -4.825 3.158 -0.621) 5.800 6.443 ( 0.113 0.893 -1.756) 1.973 6.695 ( -0.545 -1.719 -3.431) 3.876 6.905 ( 1.457 0.206 0.736) 1.645 6.954 ( -0.687 -1.072 0.688) 1.448 8.422 ( 0.849 3.712 1.676) 4.160 8.543 ( 1.789 1.708 3.401) 4.205 8.773 ( 1.411 -1.372 0.265) 1.986 9.011 ( 1.433 -4.787 -1.330) 5.171 9.113 ( -1.328 -2.998 -1.897) 3.788 9.290 ( 1.143 -0.757 -2.286) 2.666 9.326 ( 2.025 -0.610 -0.579) 2.192 9.449 ( -4.058 1.680 1.784) 4.740 9.494 ( 3.600 -0.046 -0.307) 3.613 9.588 ( 1.480 2.967 -2.276) 4.022 9.680 ( -5.502 -2.392 1.807) 6.266 9.824 ( -0.345 -0.533 -1.892) 1.995 9.927 ( -1.297 -2.426 4.293) 5.098 10.138 ( -0.012 0.638 0.345) 0.726 12.664 ( 0.369 0.734 -1.216) 1.468 12.694 ( -1.776 0.621 0.063) 1.883 20.365 ( -0.836 5.194 -0.710) 5.309 20.446 ( -0.505 3.984 -1.990) 4.482 21.168 ( 0.570 -2.019 2.473) 3.243 21.245 ( 0.866 -3.466 2.381) 4.293 21.322 ( 0.314 -1.424 1.846) 2.352 21.474 ( 4.498 10.160 -1.813) 11.258 21.651 ( 2.848 -6.474 1.536) 7.237 22.017 ( 5.814 3.323 1.669) 6.902 22.312 ( -1.653 1.557 -5.538) 5.985 22.621 ( -7.189 -8.122 -0.781) 10.875 22.838 ( -0.863 0.882 0.355) 1.285 22.899 ( -0.944 1.018 -0.749) 1.578 23.951 ( -0.193 0.982 0.860) 1.319 24.077 ( 0.309 -2.592 -0.462) 2.651 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 3.279 -0.626 -8.347) 8.989 1.031 ( -5.344 1.252 -6.778) 8.721 1.208 ( 0.705 0.134 -0.383) 0.813 1.365 ( -10.400 0.269 -4.049) 11.164 1.443 ( 5.203 -2.094 -7.770) 9.583 1.488 ( 0.825 1.521 -1.704) 2.429 1.514 ( -4.552 4.139 0.936) 6.223 1.671 ( -3.462 0.618 1.574) 3.853 1.713 ( -2.119 -1.297 -0.019) 2.485 1.791 ( -3.575 -3.356 2.395) 5.457 1.848 ( 1.049 0.478 7.226) 7.317 1.925 ( 2.358 2.365 4.084) 5.275 1.985 ( 0.004 0.940 1.384) 1.673 2.022 ( 1.243 -2.056 -0.378) 2.432 2.049 ( 2.972 -2.307 3.542) 5.167 2.138 ( 0.218 -2.426 0.945) 2.612 2.166 ( 0.895 0.170 -0.194) 0.932 2.196 ( 1.742 -2.660 0.907) 3.306 2.240 ( 0.979 -0.913 -0.724) 1.522 2.274 ( -0.307 1.657 0.062) 1.687 2.320 ( 1.605 -2.536 -1.414) 3.318 2.367 ( -2.585 -0.300 1.085) 2.819 2.456 ( -5.897 -1.340 -1.918) 6.344 2.466 ( 4.218 1.688 2.923) 5.402 2.555 ( 1.809 3.896 0.910) 4.391 2.588 ( -3.423 2.659 -1.968) 4.760 2.657 ( 0.623 -5.298 0.582) 5.366 2.690 ( -3.978 1.430 -0.940) 4.330 2.766 ( -0.856 2.872 -4.128) 5.101 2.787 ( 2.090 2.832 -0.281) 3.531 2.861 ( 0.291 1.859 -1.394) 2.342 2.918 ( 1.519 -0.479 0.244) 1.611 2.985 ( -3.200 3.588 -3.952) 6.224 3.004 ( -0.691 3.647 1.401) 3.968 3.117 ( 1.093 4.912 -4.130) 6.510 3.131 ( 2.492 -1.448 -1.263) 3.147 3.211 ( 2.896 -0.156 3.744) 4.736 3.266 ( 1.311 -3.973 2.303) 4.775 3.423 ( 3.315 -0.227 0.841) 3.427 3.471 ( 0.989 0.451 3.754) 3.908 3.534 ( -1.473 0.626 -0.739) 1.763 3.554 ( 0.778 2.711 -2.177) 3.563 3.609 ( -0.279 0.832 1.552) 1.783 3.673 ( -2.990 0.948 2.290) 3.883 3.823 ( 1.012 -4.257 -2.484) 5.032 3.968 ( -0.532 -2.429 -2.081) 3.243 4.259 ( 1.670 -0.213 -1.802) 2.466 4.299 ( 1.088 0.338 -3.812) 3.979 4.673 ( -2.902 -0.050 5.755) 6.445 4.693 ( -2.605 1.533 4.401) 5.339 4.879 ( 5.198 -8.079 7.942) 12.464 4.968 ( 0.670 -2.851 -3.903) 4.880 5.232 ( -0.984 -0.090 1.095) 1.475 5.292 ( -0.601 -1.804 0.921) 2.112 6.077 ( 2.899 1.860 -1.263) 3.669 6.151 ( 3.017 3.605 -2.790) 5.467 6.448 ( 0.664 2.446 0.575) 2.599 6.641 ( -0.608 -0.604 -5.245) 5.315 6.921 ( -0.750 0.459 0.472) 0.998 6.950 ( -0.128 1.685 1.213) 2.080 8.448 ( -0.498 2.704 2.678) 3.838 8.618 ( 1.501 -1.092 3.648) 4.094 8.762 ( -3.026 0.752 1.199) 3.340 8.995 ( -1.763 -4.437 -0.286) 4.783 9.043 ( -3.510 0.395 -3.227) 4.785 9.245 ( -0.703 4.850 -7.092) 8.620 9.332 ( -1.308 -5.750 1.035) 5.988 9.456 ( 1.024 -3.525 1.657) 4.028 9.544 ( 2.596 2.604 2.551) 4.475 9.618 ( 0.237 1.267 -0.797) 1.515 9.650 ( 2.513 -0.933 -0.307) 2.698 9.832 ( 4.101 -1.065 -1.420) 4.468 9.983 ( 1.631 -1.516 5.461) 5.897 10.123 ( -1.217 -0.034 -0.747) 1.428 12.655 ( -0.858 0.563 -1.174) 1.559 12.693 ( 2.567 0.409 -0.182) 2.606 20.351 ( 0.265 5.197 -0.710) 5.252 20.430 ( 1.555 3.048 -2.556) 4.271 21.180 ( -2.928 -2.226 3.178) 4.861 21.272 ( -1.083 -2.561 3.176) 4.222 21.336 ( -1.108 -1.305 1.659) 2.384 21.474 ( -0.908 8.111 -2.898) 8.661 21.714 ( -2.002 -5.258 4.647) 7.297 22.024 ( -3.644 7.344 0.992) 8.258 22.349 ( 9.058 -0.838 -1.273) 9.185 22.452 ( -6.251 -8.903 -8.134) 13.583 22.827 ( -0.687 1.017 0.075) 1.230 22.883 ( 0.318 0.786 -1.197) 1.467 23.972 ( 0.538 0.846 1.864) 2.116 24.099 ( 2.629 -2.305 -0.307) 3.510 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -6.489 6.233 -8.911) 12.664 0.950 ( -6.380 -0.445 -6.633) 9.214 1.057 ( -14.472 1.944 -7.127) 16.249 1.254 ( 3.887 -4.028 0.008) 5.598 1.380 ( -6.904 0.417 3.296) 7.662 1.450 ( 2.632 1.270 -3.800) 4.793 1.612 ( 5.668 -3.506 1.361) 6.802 1.630 ( -4.969 -0.185 4.535) 6.730 1.692 ( -2.840 -0.024 0.009) 2.840 1.774 ( -0.707 -3.806 0.924) 3.980 1.871 ( -10.167 2.807 0.452) 10.557 1.952 ( -2.960 -1.824 -0.994) 3.616 1.990 ( 0.227 1.167 2.818) 3.058 2.028 ( -0.059 0.555 3.246) 3.294 2.072 ( -7.303 3.590 -0.765) 8.173 2.123 ( 1.047 0.882 2.568) 2.911 2.171 ( 0.899 -0.959 1.173) 1.762 2.223 ( -0.996 0.219 0.987) 1.419 2.273 ( 2.810 1.520 2.206) 3.882 2.289 ( 3.811 -0.834 -2.449) 4.606 2.301 ( -0.829 -0.132 2.543) 2.678 2.324 ( 0.810 -1.169 -1.204) 1.863 2.404 ( 0.166 -1.234 -5.360) 5.503 2.457 ( -4.201 1.847 -1.837) 4.943 2.587 ( 0.236 -1.801 -0.292) 1.839 2.588 ( 1.948 -1.881 1.523) 3.106 2.608 ( 1.696 2.363 -3.178) 4.308 2.645 ( -2.888 0.861 -1.293) 3.279 2.710 ( 3.067 2.973 -2.740) 5.075 2.844 ( -1.962 2.506 4.237) 5.299 2.874 ( -0.039 -0.209 2.323) 2.333 2.910 ( -1.279 1.803 -2.982) 3.712 2.938 ( 3.502 1.714 -1.893) 4.334 3.055 ( 2.106 -1.547 0.936) 2.776 3.108 ( 0.081 -0.526 -2.032) 2.101 3.176 ( 6.098 3.119 -1.173) 6.949 3.255 ( -4.250 -1.198 1.147) 4.562 3.323 ( 2.151 -4.737 2.975) 5.993 3.397 ( -3.087 0.419 -1.395) 3.413 3.497 ( 1.413 -1.174 0.086) 1.839 3.550 ( 4.834 -1.328 -1.593) 5.260 3.616 ( 5.811 -0.820 0.751) 5.917 3.631 ( 1.924 7.607 2.897) 8.365 3.668 ( -1.126 1.695 2.461) 3.193 3.829 ( 1.569 -3.052 -0.621) 3.488 3.955 ( 2.386 0.485 -2.334) 3.373 4.268 ( 0.962 0.866 -0.762) 1.502 4.303 ( 2.757 -0.135 -1.469) 3.127 4.636 ( -6.923 -1.710 4.014) 8.183 4.745 ( 1.605 2.728 4.284) 5.326 4.860 ( -1.313 -0.805 -5.259) 5.480 5.099 ( 4.272 -12.266 5.421) 14.074 5.225 ( -0.951 0.413 0.443) 1.127 5.340 ( 4.491 -1.288 4.941) 6.800 5.983 ( -1.877 3.220 -7.595) 8.461 6.327 ( 12.398 -1.966 -0.322) 12.557 6.461 ( -1.121 1.925 2.691) 3.494 6.563 ( -1.523 2.523 -5.143) 5.928 6.903 ( -1.141 1.706 0.104) 2.055 6.986 ( 2.130 2.609 2.220) 4.033 8.464 ( -1.529 0.972 3.060) 3.557 8.611 ( -2.649 -2.900 -3.695) 5.393 8.753 ( -4.043 0.710 8.039) 9.026 8.901 ( -7.087 -1.357 -3.008) 7.818 8.997 ( -1.303 1.901 1.801) 2.925 9.138 ( -2.419 5.307 -6.911) 9.043 9.285 ( -3.861 -5.521 -1.208) 6.845 9.498 ( 0.656 -1.098 1.186) 1.744 9.608 ( -1.402 -1.343 1.979) 2.772 9.625 ( 6.301 1.909 -2.185) 6.937 9.699 ( 5.354 0.959 -1.783) 5.724 9.933 ( 8.061 -2.815 0.142) 8.539 10.085 ( 2.865 -0.991 3.988) 5.009 10.101 ( 0.789 -0.870 0.152) 1.184 12.625 ( -0.723 1.518 -1.641) 2.349 12.753 ( 4.564 -0.471 -0.034) 4.588 20.366 ( 1.887 5.340 0.473) 5.684 20.440 ( 3.368 1.807 -3.074) 4.905 21.145 ( -5.471 -1.583 3.159) 6.513 21.273 ( -2.877 -1.761 1.716) 3.785 21.322 ( -2.568 -1.261 1.984) 3.482 21.400 ( -4.369 6.331 -1.826) 7.906 21.638 ( -8.044 -2.586 -0.755) 8.483 21.930 ( -13.658 2.293 1.378) 13.917 22.357 ( 7.949 -4.404 -5.653) 10.702 22.513 ( 8.589 -2.920 3.155) 9.605 22.823 ( 0.052 1.142 0.413) 1.215 22.880 ( 0.608 0.486 -0.897) 1.188 23.999 ( 0.380 0.557 1.351) 1.510 24.143 ( 4.000 -1.769 -2.362) 4.970 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -6.570 6.706 -6.642) 11.500 0.699 ( -7.978 9.300 -2.964) 12.606 0.824 ( -13.060 9.426 0.449) 16.112 1.305 ( 1.394 -3.661 2.026) 4.410 1.377 ( 0.552 -5.156 3.517) 6.266 1.421 ( -22.303 14.884 -3.100) 26.992 1.453 ( -0.673 2.220 -3.768) 4.425 1.619 ( -5.592 -3.002 8.390) 10.521 1.627 ( -3.096 -2.146 -0.271) 3.777 1.753 ( 3.243 -0.857 0.323) 3.370 1.784 ( -0.052 -1.188 -0.402) 1.255 1.902 ( -3.003 -5.602 -2.985) 7.022 1.995 ( -0.992 0.148 -0.712) 1.230 2.015 ( -2.119 0.471 2.146) 3.053 2.098 ( 1.011 -1.049 1.271) 1.934 2.155 ( -0.721 0.201 2.165) 2.291 2.178 ( -2.525 1.957 2.460) 4.032 2.205 ( -3.041 -1.441 -5.012) 6.037 2.248 ( 2.866 -1.011 -1.536) 3.406 2.281 ( -0.966 -0.052 1.727) 1.980 2.329 ( -0.003 0.418 -0.288) 0.507 2.360 ( 2.790 -1.630 1.452) 3.543 2.424 ( -1.122 -0.206 -0.512) 1.251 2.479 ( 11.006 2.425 -0.839) 11.302 2.523 ( -2.905 -2.627 0.260) 3.925 2.560 ( -1.017 2.371 -0.484) 2.625 2.629 ( 0.742 0.636 -3.347) 3.487 2.674 ( 3.298 -0.492 -0.348) 3.353 2.743 ( 2.326 0.422 -0.990) 2.562 2.808 ( -2.136 1.395 -1.293) 2.860 2.867 ( -1.323 1.073 0.358) 1.741 2.896 ( -0.857 1.294 -1.650) 2.266 2.974 ( 1.832 3.059 -2.215) 4.197 3.072 ( 2.166 -1.276 1.209) 2.789 3.095 ( 0.014 -0.580 -0.298) 0.652 3.132 ( -5.528 0.920 0.009) 5.604 3.234 ( -1.919 -1.248 -0.539) 2.352 3.369 ( 4.899 -0.315 -5.483) 7.359 3.420 ( 3.204 -3.991 2.844) 5.855 3.506 ( 1.705 -0.813 -2.704) 3.298 3.611 ( 2.565 -2.368 2.691) 4.408 3.668 ( -0.399 1.466 -0.501) 1.600 3.708 ( 2.690 3.002 3.352) 5.243 3.773 ( 8.642 -4.868 3.537) 10.530 3.882 ( 5.479 4.069 1.134) 6.919 3.994 ( 4.073 3.839 -0.268) 5.603 4.277 ( -0.949 1.921 2.122) 3.015 4.337 ( 2.360 -1.523 -0.367) 2.832 4.558 ( -5.525 -0.040 1.308) 5.678 4.792 ( -0.662 1.493 -3.476) 3.841 4.819 ( 1.629 1.418 3.093) 3.773 5.114 ( -2.780 -11.978 -3.962) 12.919 5.218 ( -1.157 -0.318 1.965) 2.303 5.540 ( 8.593 -4.889 7.669) 12.512 5.900 ( 0.834 8.138 -4.886) 9.529 6.396 ( 0.315 -1.843 -1.331) 2.296 6.477 ( -3.398 1.924 -2.659) 4.725 6.572 ( 7.527 -1.715 3.272) 8.385 6.893 ( -0.005 3.063 -0.617) 3.125 7.064 ( 5.124 0.635 0.586) 5.197 8.457 ( -2.760 -0.754 1.877) 3.422 8.506 ( -4.686 -1.388 -3.008) 5.738 8.705 ( -8.585 -1.092 -2.589) 9.033 8.785 ( -5.243 -3.107 4.090) 7.340 9.008 ( -1.792 3.828 2.719) 5.026 9.050 ( -1.367 7.136 -1.378) 7.395 9.213 ( -2.422 -1.553 -0.142) 2.881 9.474 ( -1.408 3.335 -4.142) 5.501 9.590 ( -0.341 -1.761 -0.956) 2.033 9.728 ( 5.985 -0.829 0.998) 6.124 9.785 ( 7.279 1.053 -2.194) 7.675 10.044 ( 3.688 -1.732 1.591) 4.374 10.126 ( 5.024 -3.112 -1.321) 6.056 10.194 ( 4.163 -1.416 1.720) 4.721 12.602 ( -0.259 2.543 -0.721) 2.656 12.826 ( 4.563 -1.633 -0.613) 4.885 20.425 ( 3.682 6.276 2.377) 7.654 20.468 ( 4.466 1.473 -4.011) 6.181 21.081 ( -5.506 -0.628 2.111) 5.930 21.192 ( -5.821 -0.222 -2.951) 6.531 21.289 ( -5.294 -1.534 1.162) 5.633 21.325 ( -4.206 1.930 2.936) 5.480 21.499 ( -6.022 -2.515 -3.068) 7.211 21.654 ( -15.948 -0.381 -3.388) 16.308 22.513 ( 11.295 -1.729 0.906) 11.462 22.688 ( 5.142 -4.961 8.031) 10.749 22.839 ( 0.880 0.981 1.038) 1.677 22.883 ( 0.177 -0.057 0.752) 0.774 24.013 ( 0.421 0.843 0.264) 0.979 24.164 ( 3.962 0.293 -5.747) 6.986 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -6.118 17.032 8.041) 19.804 0.600 ( -10.893 12.392 4.413) 17.078 0.713 ( 1.549 11.915 5.518) 13.222 1.044 ( -18.589 24.473 7.195) 31.564 1.373 ( 1.302 -4.812 3.842) 6.294 1.396 ( -0.360 0.032 0.481) 0.602 1.462 ( 1.274 -4.179 -1.459) 4.606 1.566 ( -3.791 -5.329 1.360) 6.680 1.654 ( -0.006 -3.705 3.660) 5.208 1.737 ( -4.365 -1.368 -5.131) 6.874 1.772 ( 0.053 -0.559 -1.815) 1.899 1.823 ( -0.079 -4.349 -1.914) 4.753 1.949 ( 0.175 1.097 -5.710) 5.817 1.999 ( 0.156 -0.314 -1.697) 1.733 2.100 ( -1.523 -3.179 -3.461) 4.940 2.122 ( -0.985 -2.922 1.280) 3.339 2.145 ( -0.886 -1.241 0.657) 1.661 2.185 ( -1.605 -0.679 0.748) 1.896 2.261 ( -1.268 4.932 -1.159) 5.222 2.276 ( -0.044 -1.096 -0.371) 1.158 2.318 ( 0.755 -1.816 -1.129) 2.267 2.421 ( 3.307 3.014 1.618) 4.758 2.435 ( 1.928 -0.792 2.509) 3.261 2.520 ( 0.760 1.146 0.874) 1.629 2.561 ( -0.297 0.132 0.113) 0.344 2.577 ( -0.683 2.692 -1.553) 3.182 2.636 ( 1.679 0.537 -0.028) 1.763 2.681 ( 1.761 1.734 -2.982) 3.873 2.735 ( -1.893 0.217 1.433) 2.385 2.784 ( 2.223 -2.035 -4.081) 5.073 2.834 ( 1.867 0.141 -3.502) 3.971 2.880 ( 1.500 -2.728 0.849) 3.226 2.999 ( 0.979 2.793 -1.333) 3.246 3.076 ( 0.344 0.667 -3.556) 3.634 3.100 ( -1.289 -0.763 -0.309) 1.529 3.115 ( -0.367 0.033 0.827) 0.905 3.199 ( 0.122 1.773 1.378) 2.249 3.381 ( 3.516 -2.147 -6.506) 7.701 3.425 ( -3.085 -5.727 1.653) 6.712 3.518 ( 4.974 0.261 -7.025) 8.611 3.614 ( -2.333 -2.990 -3.836) 5.395 3.685 ( 2.252 -1.648 1.776) 3.308 3.823 ( 3.434 1.659 7.210) 8.157 3.960 ( 4.871 -5.380 10.150) 12.477 3.984 ( 7.586 9.107 -5.309) 12.987 4.133 ( 11.569 4.926 7.617) 14.701 4.272 ( -2.470 0.994 2.199) 3.453 4.366 ( 0.800 -0.343 0.957) 1.293 4.507 ( -1.646 0.176 0.625) 1.770 4.760 ( 0.417 2.860 -1.573) 3.291 4.863 ( -0.311 0.541 2.650) 2.723 4.921 ( -13.169 -10.034 -8.324) 18.531 5.230 ( -0.790 -1.775 2.933) 3.518 5.677 ( 3.312 -7.325 -4.322) 9.127 5.931 ( 4.726 12.044 3.062) 13.295 6.369 ( -3.499 3.574 -1.635) 5.262 6.442 ( -0.965 -0.991 5.615) 5.783 6.702 ( 4.307 -5.572 2.033) 7.330 6.876 ( 0.164 2.217 -2.971) 3.710 7.142 ( 5.075 -2.705 -1.791) 6.023 8.404 ( -3.554 -0.738 -2.222) 4.255 8.424 ( -3.048 -1.312 0.726) 3.396 8.542 ( -5.923 -0.020 -2.317) 6.360 8.727 ( -4.202 -4.625 -0.296) 6.256 8.993 ( -1.336 4.181 1.413) 4.612 9.031 ( -3.963 3.961 3.193) 6.449 9.238 ( 1.734 3.608 -1.940) 4.448 9.404 ( 0.575 0.537 -0.250) 0.825 9.584 ( 0.243 -0.919 -0.136) 0.961 9.845 ( 6.038 0.861 2.863) 6.738 9.866 ( 6.186 2.401 -3.194) 7.364 10.111 ( 1.632 -0.836 2.189) 2.855 10.160 ( 1.414 -3.545 -3.314) 5.055 10.258 ( 3.894 -1.712 -1.875) 4.648 12.611 ( 0.986 4.204 1.785) 4.673 12.887 ( 3.349 -1.678 0.359) 3.763 20.474 ( 1.865 2.643 -5.322) 6.228 20.537 ( 6.328 5.680 2.944) 8.999 21.033 ( -1.507 -0.724 0.236) 1.688 21.061 ( -4.815 -0.844 -2.360) 5.428 21.207 ( -3.874 -0.934 -1.669) 4.320 21.258 ( -11.705 -3.955 4.012) 12.990 21.360 ( -8.100 0.274 -1.620) 8.265 21.429 ( -2.694 0.415 -5.074) 5.760 22.688 ( 7.171 -0.907 2.203) 7.556 22.815 ( 1.041 -4.364 4.617) 6.438 22.864 ( 0.854 0.540 0.443) 1.103 22.918 ( -2.707 -5.994 7.295) 9.822 24.025 ( 1.211 2.323 -0.130) 2.622 24.180 ( 6.440 3.165 -3.216) 7.863 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.401 15.305 -4.221) 15.882 0.938 ( -3.353 15.148 7.060) 17.046 1.114 ( 0.160 -0.658 1.183) 1.363 1.119 ( -1.469 -3.000 0.823) 3.440 1.239 ( -2.442 -7.291 4.764) 9.046 1.317 ( 0.388 -7.016 5.731) 9.067 1.465 ( 1.248 -1.928 0.475) 2.345 1.488 ( 0.441 -3.717 -4.339) 5.730 1.650 ( 3.622 14.832 4.877) 16.028 1.725 ( -0.256 0.282 -2.440) 2.470 1.753 ( 1.203 -0.652 -0.207) 1.384 1.821 ( 2.615 1.786 -1.682) 3.586 1.893 ( -0.221 -0.309 -5.506) 5.519 1.952 ( -0.359 -1.622 -6.397) 6.610 2.006 ( -0.046 -1.139 -2.156) 2.439 2.014 ( 0.239 -0.705 0.326) 0.813 2.122 ( -1.166 1.165 1.741) 2.398 2.159 ( -0.063 1.759 0.796) 1.931 2.220 ( 0.236 -2.517 -1.021) 2.726 2.258 ( -0.952 -3.619 2.020) 4.253 2.362 ( 0.445 1.445 -1.307) 1.999 2.420 ( 0.958 -4.009 -1.334) 4.332 2.496 ( -5.644 0.974 0.490) 5.748 2.526 ( -5.552 -1.317 0.399) 5.720 2.587 ( 1.735 3.240 -0.766) 3.755 2.636 ( 0.896 0.691 -0.114) 1.137 2.663 ( -0.715 1.113 -0.730) 1.511 2.680 ( 3.187 1.119 1.863) 3.858 2.716 ( 1.708 0.538 -2.014) 2.695 2.743 ( 2.515 -1.472 -1.384) 3.226 2.874 ( 3.795 0.773 1.920) 4.323 2.906 ( 4.940 -2.399 1.706) 5.751 3.005 ( -0.388 1.921 -2.770) 3.394 3.038 ( -0.491 0.064 -2.611) 2.658 3.076 ( -0.811 -0.694 -1.653) 1.968 3.089 ( -1.109 -1.770 -0.213) 2.100 3.180 ( -3.434 1.966 -2.122) 4.490 3.269 ( -1.489 -7.124 0.152) 7.280 3.367 ( 2.553 2.553 -4.812) 6.016 3.431 ( -0.552 -2.829 -6.352) 6.975 3.570 ( 1.656 3.892 -4.310) 6.039 3.650 ( 1.702 -3.396 -4.044) 5.548 3.938 ( -0.722 1.720 7.758) 7.979 3.997 ( -1.922 -3.650 8.772) 9.693 4.202 ( 2.612 4.393 -0.877) 5.186 4.238 ( 0.216 -0.576 1.746) 1.851 4.378 ( -3.642 2.728 -1.371) 4.753 4.410 ( -1.955 0.354 4.001) 4.467 4.474 ( -4.271 0.191 -2.956) 5.197 4.564 ( 4.104 -6.255 -2.157) 7.786 4.857 ( 0.582 2.319 0.941) 2.570 4.881 ( -0.420 0.689 0.116) 0.815 5.279 ( -0.269 4.809 0.746) 4.874 5.433 ( -1.957 -8.582 -4.020) 9.677 6.332 ( 3.887 6.036 4.802) 8.637 6.386 ( -3.198 -0.327 3.166) 4.512 6.420 ( -0.833 5.227 2.872) 6.022 6.590 ( -1.869 -8.074 2.454) 8.643 6.938 ( 2.092 6.324 -2.440) 7.094 7.081 ( 1.945 -6.224 -1.848) 6.778 8.353 ( 0.016 -0.119 -1.625) 1.630 8.362 ( -0.077 -0.806 -1.601) 1.794 8.538 ( 1.386 1.743 1.433) 2.648 8.589 ( -0.429 -3.145 -0.076) 3.176 9.059 ( -2.217 2.843 0.470) 3.636 9.099 ( -0.782 0.662 1.617) 1.914 9.207 ( -0.062 5.050 -4.607) 6.836 9.358 ( 2.893 -7.458 -2.223) 8.302 9.661 ( -0.262 6.247 -0.055) 6.253 9.815 ( -0.718 -7.525 -2.761) 8.048 9.991 ( 1.629 4.397 -2.225) 5.190 10.062 ( -0.798 -1.705 0.905) 2.089 10.187 ( 0.073 0.633 0.288) 0.699 10.221 ( -0.233 -2.342 -0.073) 2.354 12.796 ( 0.947 6.142 4.784) 7.843 12.899 ( 1.018 -3.448 3.471) 4.997 20.496 ( -0.351 3.294 -3.426) 4.766 20.574 ( 0.148 -4.115 -3.617) 5.481 20.968 ( -2.419 0.661 1.250) 2.802 20.995 ( -1.081 -1.752 0.940) 2.264 21.140 ( 1.918 1.466 -2.845) 3.731 21.171 ( 5.754 -1.244 -3.363) 6.779 21.341 ( -2.519 3.434 3.135) 5.289 21.401 ( 0.153 -2.034 1.712) 2.663 22.759 ( -1.705 -0.178 3.536) 3.929 22.775 ( -2.196 -1.847 4.396) 5.250 22.892 ( -0.212 0.721 0.947) 1.209 22.897 ( 0.087 0.274 1.006) 1.046 24.096 ( 0.027 3.895 -0.753) 3.967 24.191 ( 1.460 -4.935 -1.774) 5.443 ======================= Grid point 64 (35/69) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 10.386 8.688 -1.967) 13.683 1.004 ( 4.745 4.092 2.730) 6.835 1.035 ( 2.283 -3.263 -1.361) 4.208 1.178 ( -1.384 5.692 2.582) 6.402 1.289 ( -1.869 -3.995 11.829) 12.625 1.386 ( -1.579 -5.748 6.095) 8.525 1.477 ( 5.131 -0.901 -3.107) 6.066 1.519 ( 3.715 -3.261 0.977) 5.039 1.679 ( -1.486 1.346 -0.621) 2.100 1.714 ( -0.340 -0.814 -2.566) 2.714 1.793 ( 1.620 3.536 1.231) 4.079 1.834 ( 0.311 -1.035 -4.767) 4.888 1.869 ( 5.517 4.486 -4.654) 8.498 1.934 ( 4.754 -0.821 -4.642) 6.695 2.037 ( 5.264 -0.066 0.931) 5.347 2.042 ( 2.218 0.225 1.706) 2.807 2.123 ( -0.765 2.172 -3.221) 3.960 2.153 ( -0.627 5.662 1.278) 5.838 2.175 ( -0.990 -1.681 -3.482) 3.991 2.269 ( -0.957 -3.320 1.503) 3.768 2.342 ( -0.173 1.451 -1.387) 2.015 2.404 ( -2.409 -1.576 0.674) 2.956 2.419 ( -4.637 -4.068 2.884) 6.809 2.439 ( -2.739 -3.884 1.480) 4.978 2.584 ( -1.162 2.884 -0.671) 3.181 2.624 ( -1.637 -0.635 -0.262) 1.776 2.686 ( 2.181 4.301 0.494) 4.848 2.724 ( 0.023 4.042 -2.838) 4.939 2.752 ( 0.042 -0.877 2.071) 2.250 2.781 ( 5.013 -1.229 -0.545) 5.190 2.909 ( -1.410 0.514 -1.246) 1.951 2.951 ( -0.954 -3.667 -2.718) 4.663 3.007 ( 2.931 2.203 -0.335) 3.682 3.032 ( 4.064 0.176 -0.805) 4.146 3.073 ( 2.404 -1.536 -1.410) 3.183 3.089 ( 1.041 -3.624 0.353) 3.787 3.125 ( 0.584 3.625 0.575) 3.716 3.227 ( -0.363 -5.372 -4.092) 6.763 3.360 ( 0.438 0.966 -1.935) 2.207 3.377 ( -0.811 -0.996 -0.107) 1.289 3.560 ( 2.056 3.695 -3.008) 5.190 3.619 ( 0.739 -1.590 -5.191) 5.479 3.966 ( -3.096 2.687 1.983) 4.553 4.002 ( -4.438 -1.342 3.391) 5.745 4.123 ( -11.622 3.852 3.139) 12.639 4.176 ( -11.452 -0.435 1.033) 11.507 4.331 ( 1.096 -0.288 1.139) 1.607 4.359 ( -0.784 -2.671 3.972) 4.850 4.479 ( 1.713 3.634 -1.904) 4.445 4.612 ( 2.702 -7.492 -6.662) 10.383 4.857 ( -1.343 2.133 0.804) 2.646 4.905 ( 1.412 -1.532 1.901) 2.821 5.275 ( -1.289 2.520 0.983) 2.996 5.341 ( -3.608 -3.087 -3.001) 5.618 6.372 ( -1.564 3.723 3.439) 5.305 6.440 ( 3.178 -1.156 3.538) 4.894 6.457 ( -0.441 2.630 3.853) 4.686 6.565 ( -3.530 -5.288 2.238) 6.741 6.945 ( 0.166 5.497 -1.475) 5.694 7.033 ( -3.314 -1.857 -5.139) 6.391 8.359 ( 3.042 1.106 -1.662) 3.639 8.397 ( 5.341 -2.333 -0.675) 5.867 8.585 ( 2.692 1.868 -0.402) 3.301 8.628 ( 5.539 -2.007 0.734) 5.937 9.051 ( -0.194 2.968 1.333) 3.259 9.127 ( 1.167 -4.051 2.883) 5.107 9.194 ( 3.257 6.140 -2.540) 7.400 9.352 ( 1.696 -8.003 -5.920) 10.099 9.656 ( -1.678 5.209 1.987) 5.822 9.780 ( -1.508 -6.218 0.811) 6.449 9.948 ( -2.890 2.826 -2.963) 5.012 10.008 ( -5.726 -2.349 -0.751) 6.234 10.148 ( -3.644 2.305 -1.099) 4.450 10.193 ( -3.697 -1.734 0.343) 4.098 12.835 ( -2.679 5.145 4.462) 7.318 12.906 ( -3.580 -1.317 1.404) 4.065 20.474 ( 0.806 2.996 -1.380) 3.396 20.547 ( 0.845 -4.195 -2.064) 4.751 20.984 ( 3.098 0.497 0.208) 3.145 21.003 ( 1.173 -1.216 0.677) 1.820 21.197 ( 8.788 4.694 -3.678) 10.620 21.294 ( 13.297 -4.252 -4.239) 14.590 21.352 ( -0.430 4.269 2.751) 5.097 21.437 ( 1.703 -3.249 1.663) 4.027 22.710 ( -8.067 1.571 3.779) 9.045 22.757 ( -5.432 -2.560 3.649) 7.027 22.896 ( -0.695 1.335 1.179) 1.912 22.914 ( 0.228 -0.249 1.388) 1.428 24.076 ( -1.926 2.997 -0.165) 3.566 24.163 ( -1.848 -5.143 -2.493) 6.007 ======================= Grid point 65 (36/69) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 7.865 4.564 -3.773) 9.845 1.065 ( 5.726 -6.553 -6.531) 10.880 1.198 ( 8.415 6.890 6.794) 12.823 1.278 ( 9.717 3.572 5.995) 11.963 1.396 ( 0.143 -1.643 9.722) 9.861 1.418 ( 0.350 0.900 4.184) 4.294 1.565 ( 5.071 -1.774 1.243) 5.515 1.598 ( 3.578 -3.227 0.171) 4.821 1.642 ( -1.675 -0.386 -0.014) 1.719 1.688 ( 1.657 -3.068 -1.950) 3.995 1.790 ( 0.779 0.044 -4.599) 4.665 1.803 ( 0.169 0.688 -1.174) 1.371 1.863 ( 0.808 2.287 -4.500) 5.112 1.921 ( -1.147 -2.360 -4.109) 4.876 2.044 ( 0.190 2.802 -3.549) 4.525 2.095 ( 1.994 -1.441 -3.151) 3.998 2.106 ( 3.992 4.546 -0.514) 6.072 2.182 ( 0.260 2.665 2.011) 3.349 2.217 ( 3.757 -2.863 2.981) 5.586 2.246 ( -1.963 -2.671 1.731) 3.740 2.332 ( -2.568 2.257 1.509) 3.737 2.402 ( 0.200 -4.452 1.347) 4.656 2.416 ( -0.446 0.001 -0.039) 0.448 2.437 ( 2.907 -1.926 1.167) 3.677 2.554 ( -3.867 0.486 0.807) 3.980 2.581 ( -4.682 -1.779 0.672) 5.054 2.670 ( -1.175 2.579 -3.603) 4.584 2.700 ( 1.463 2.487 -3.104) 4.238 2.780 ( 3.231 0.793 1.776) 3.771 2.844 ( 1.903 -1.676 -1.194) 2.802 2.868 ( 0.410 1.998 -0.522) 2.105 2.890 ( -0.980 -0.623 -2.487) 2.744 3.024 ( -0.235 -0.952 -0.696) 1.202 3.039 ( -0.629 -1.834 -2.258) 2.976 3.122 ( 5.267 3.462 1.209) 6.418 3.141 ( 1.961 2.515 -0.249) 3.199 3.204 ( 2.169 -1.969 0.153) 2.933 3.209 ( 3.577 -3.071 -0.295) 4.724 3.358 ( 0.771 1.241 0.511) 1.548 3.394 ( 1.572 -0.615 2.998) 3.441 3.555 ( 1.059 2.510 -4.678) 5.413 3.577 ( 1.445 0.213 -3.586) 3.872 3.846 ( -9.169 7.297 -2.758) 12.038 3.957 ( -8.497 0.304 -1.046) 8.567 3.972 ( -6.927 -2.260 5.324) 9.024 4.023 ( -11.849 -4.088 5.946) 13.873 4.350 ( -1.953 1.057 -0.170) 2.227 4.390 ( -1.010 -1.563 1.271) 2.254 4.499 ( 2.889 -1.635 2.157) 3.959 4.533 ( -0.559 -4.983 -6.484) 8.197 4.843 ( -1.041 5.136 0.338) 5.251 4.945 ( 1.004 -3.949 1.487) 4.337 5.263 ( -1.767 0.455 1.662) 2.468 5.271 ( -2.236 -0.357 -0.965) 2.462 6.390 ( -0.579 5.718 -1.423) 5.920 6.414 ( -7.084 4.908 4.175) 9.576 6.532 ( -3.273 -2.739 0.742) 4.332 6.552 ( 4.381 -6.105 3.189) 8.163 6.902 ( -2.017 1.688 -2.808) 3.848 6.920 ( -2.164 0.112 -3.307) 3.953 8.407 ( 4.194 3.346 -0.924) 5.444 8.476 ( 4.406 -3.088 -1.046) 5.482 8.659 ( 6.552 4.714 0.307) 8.077 8.742 ( 6.922 -3.853 0.684) 7.952 9.061 ( -0.061 3.006 0.376) 3.030 9.177 ( 0.450 -6.527 2.097) 6.870 9.260 ( 5.517 1.070 1.086) 5.724 9.307 ( 1.392 -3.813 -4.649) 6.172 9.647 ( -3.070 5.728 2.881) 7.108 9.766 ( -3.562 -5.260 2.295) 6.755 9.848 ( -4.676 0.343 -3.613) 5.919 9.882 ( -5.882 -2.636 -3.640) 7.402 10.069 ( -4.936 3.872 0.316) 6.281 10.125 ( -3.859 -1.327 0.195) 4.085 12.808 ( -4.568 2.711 1.960) 5.662 12.829 ( -5.266 0.799 -0.994) 5.418 20.483 ( 0.875 3.898 -0.017) 3.995 20.547 ( -0.084 -1.882 0.172) 1.891 21.048 ( 2.881 -0.548 1.056) 3.117 21.052 ( 4.856 -1.201 -0.568) 5.034 21.297 ( 4.244 6.018 -1.557) 7.527 21.399 ( 8.628 4.431 -2.016) 9.907 21.446 ( 4.304 -4.621 -0.633) 6.347 21.545 ( 14.275 -5.474 -1.093) 15.328 22.606 ( -8.894 3.208 3.068) 9.941 22.688 ( -7.513 -4.019 3.464) 9.198 22.893 ( -1.171 2.010 1.042) 2.549 22.926 ( -0.682 -0.870 1.255) 1.673 24.033 ( -2.760 1.859 -0.283) 3.340 24.094 ( -2.858 -3.849 -2.344) 5.337 ======================= Grid point 66 (37/69) ======================= q-point: ( 0.33 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.585 0.553 -4.893) 9.043 1.061 ( 5.352 -2.136 -9.746) 11.323 1.374 ( 5.049 4.742 0.812) 6.974 1.459 ( 2.086 -1.639 1.489) 3.042 1.464 ( -0.399 5.435 1.946) 5.787 1.524 ( 8.377 3.605 4.281) 10.075 1.580 ( 1.448 2.737 -1.069) 3.276 1.661 ( 2.563 -1.027 2.221) 3.544 1.684 ( 0.574 0.075 3.378) 3.427 1.716 ( 3.216 -0.447 -1.734) 3.680 1.776 ( -1.508 -1.724 1.305) 2.636 1.798 ( 4.442 -5.402 -1.995) 7.272 1.852 ( 1.460 -1.244 0.768) 2.066 1.871 ( -0.829 -2.485 -0.221) 2.629 2.070 ( 4.867 2.648 -0.351) 5.552 2.083 ( -2.663 1.503 0.600) 3.116 2.143 ( -0.227 4.821 0.075) 4.827 2.197 ( 1.744 -0.811 1.642) 2.529 2.211 ( -3.109 -3.373 1.695) 4.891 2.285 ( -1.919 -5.606 -1.222) 6.050 2.315 ( 0.961 0.152 0.928) 1.345 2.364 ( -2.170 -3.345 -1.099) 4.136 2.424 ( 0.611 0.976 -0.831) 1.420 2.460 ( -1.243 -0.762 -1.359) 1.993 2.511 ( -2.712 0.674 -0.861) 2.924 2.540 ( 1.106 -2.281 -0.643) 2.616 2.614 ( 1.611 4.893 -1.663) 5.413 2.710 ( 2.552 -1.650 -2.026) 3.652 2.827 ( -1.253 1.900 0.544) 2.341 2.856 ( 0.397 2.844 0.584) 2.931 2.877 ( 0.298 -1.321 -0.186) 1.367 2.908 ( 3.014 0.096 1.202) 3.247 3.004 ( 0.293 -1.533 -0.450) 1.624 3.037 ( 2.202 -1.022 -2.258) 3.315 3.135 ( -0.494 3.397 -2.259) 4.109 3.176 ( -0.887 1.611 0.959) 2.074 3.240 ( 2.509 -1.652 0.789) 3.106 3.251 ( 0.633 -2.295 2.039) 3.135 3.407 ( 4.050 3.989 1.032) 5.778 3.480 ( 3.059 -2.091 2.068) 4.244 3.516 ( 2.703 6.116 -5.726) 8.804 3.574 ( -0.325 -0.040 0.421) 0.533 3.678 ( -8.263 5.097 0.154) 9.710 3.818 ( -6.371 -3.192 -2.099) 7.428 3.878 ( -9.276 -2.112 2.773) 9.910 3.926 ( -5.552 -3.824 2.116) 7.065 4.294 ( -1.358 0.553 -2.222) 2.662 4.342 ( -1.514 -3.600 -3.626) 5.329 4.528 ( 0.811 0.469 3.096) 3.234 4.580 ( 0.190 -3.594 5.958) 6.961 4.832 ( -0.521 7.074 -0.106) 7.093 4.964 ( 0.452 -5.057 -0.515) 5.103 5.240 ( -1.311 0.157 0.113) 1.325 5.256 ( -1.812 -1.129 2.351) 3.175 6.246 ( -5.872 7.825 -6.118) 11.539 6.366 ( -6.686 -1.854 -0.614) 6.966 6.502 ( 0.913 4.615 -0.060) 4.704 6.628 ( 1.344 -6.005 1.442) 6.320 6.873 ( 0.877 0.823 0.213) 1.221 6.902 ( 0.045 -1.851 1.605) 2.450 8.466 ( 3.606 3.935 -0.295) 5.345 8.517 ( 2.606 -1.058 -1.170) 3.046 8.765 ( 5.173 4.763 0.049) 7.032 8.854 ( 5.503 -4.613 0.574) 7.204 9.064 ( 0.078 0.606 0.368) 0.713 9.169 ( -1.211 -7.694 -0.427) 7.801 9.329 ( 2.850 2.100 1.056) 3.694 9.374 ( 5.233 -1.900 2.381) 6.055 9.605 ( -5.111 5.121 1.780) 7.451 9.699 ( -5.715 -2.565 0.276) 6.271 9.730 ( -5.135 -0.165 -2.999) 5.949 9.765 ( -3.129 -4.006 -3.490) 6.166 10.011 ( -2.845 5.051 1.089) 5.898 10.098 ( -0.351 -2.861 0.733) 2.975 12.737 ( -3.409 1.544 -1.902) 4.198 12.748 ( -3.723 0.496 -0.118) 3.758 20.492 ( 0.308 4.588 -0.539) 4.630 20.540 ( -0.706 0.415 -0.485) 0.952 21.105 ( 2.247 -0.287 1.470) 2.701 21.121 ( 3.675 -2.111 0.316) 4.250 21.318 ( -0.342 4.312 1.629) 4.623 21.455 ( 0.282 -7.898 0.793) 7.942 21.586 ( 13.107 10.562 -2.924) 17.085 21.784 ( 15.688 -7.136 -2.133) 17.366 22.491 ( -7.806 4.063 0.542) 8.817 22.594 ( -8.140 -5.268 2.407) 9.990 22.881 ( -1.131 2.017 0.339) 2.337 22.918 ( -1.273 -1.179 0.292) 1.759 23.991 ( -1.859 1.548 -0.126) 2.422 24.036 ( -1.821 -2.873 -0.827) 3.500 ======================= Grid point 67 (38/69) ======================= q-point: ( 0.44 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 5.203 1.322 -10.251) 11.571 1.073 ( 4.809 -2.530 -6.969) 8.837 1.373 ( -1.460 5.675 -3.361) 6.755 1.445 ( 2.950 3.936 -7.004) 8.559 1.487 ( 2.849 0.048 -4.663) 5.464 1.550 ( -1.988 -0.758 -3.707) 4.274 1.630 ( -1.970 0.129 2.574) 3.244 1.654 ( -2.270 -2.320 0.393) 3.269 1.727 ( -2.016 -0.495 -0.334) 2.103 1.752 ( 0.397 -1.925 1.524) 2.487 1.807 ( 0.148 4.000 8.066) 9.005 1.882 ( 3.617 -2.629 3.055) 5.416 1.909 ( 5.185 1.530 5.209) 7.508 1.935 ( 4.231 -2.428 2.294) 5.391 2.027 ( -4.122 2.492 1.265) 4.980 2.095 ( -5.383 0.181 2.515) 5.944 2.154 ( 2.962 -0.119 -0.906) 3.099 2.195 ( -0.397 1.588 -0.176) 1.647 2.205 ( -2.067 -3.100 -2.702) 4.603 2.241 ( 0.115 -2.203 -0.949) 2.402 2.327 ( -1.032 -1.094 1.366) 2.031 2.342 ( -1.037 -0.828 0.254) 1.351 2.406 ( 1.971 1.225 0.380) 2.352 2.441 ( 0.354 -2.871 0.813) 3.005 2.539 ( 2.204 0.042 -0.026) 2.205 2.569 ( 5.222 -0.659 3.170) 6.144 2.658 ( 2.004 2.409 -1.249) 3.374 2.708 ( 0.198 -0.217 -3.015) 3.029 2.796 ( -0.921 2.141 -0.451) 2.374 2.850 ( -1.292 1.807 0.612) 2.304 2.891 ( 1.184 -0.883 -0.222) 1.494 2.928 ( -2.196 -2.341 1.013) 3.366 3.027 ( 2.968 0.699 -0.376) 3.072 3.058 ( 2.437 1.352 -0.807) 2.902 3.103 ( -1.306 1.415 -0.840) 2.101 3.156 ( -1.036 -2.172 0.830) 2.545 3.261 ( -1.659 2.108 0.551) 2.738 3.291 ( 1.191 -1.460 1.363) 2.326 3.446 ( 1.513 3.456 -3.423) 5.094 3.487 ( 0.842 1.162 -2.734) 3.088 3.534 ( -0.399 4.292 -1.106) 4.450 3.575 ( -3.973 -0.294 3.264) 5.150 3.603 ( 0.725 2.270 0.768) 2.503 3.724 ( 0.236 -6.688 -4.640) 8.144 3.789 ( -5.179 3.598 3.132) 7.041 3.887 ( -1.429 -5.112 1.607) 5.546 4.270 ( 0.467 0.773 -1.358) 1.631 4.304 ( 0.472 -2.094 -1.998) 2.932 4.586 ( 0.054 -0.825 6.353) 6.407 4.623 ( -2.727 -3.173 6.154) 7.442 4.820 ( -0.398 6.493 -0.740) 6.547 4.946 ( -0.317 -5.057 -2.823) 5.800 5.228 ( -0.725 0.275 0.829) 1.135 5.252 ( -1.504 -1.844 1.872) 3.027 6.137 ( 0.557 5.974 -5.100) 7.874 6.236 ( -3.009 -3.301 -6.355) 7.767 6.524 ( 0.283 5.907 1.031) 6.003 6.635 ( -0.397 -4.177 -0.805) 4.272 6.913 ( 0.761 0.619 3.291) 3.434 6.931 ( 0.036 -1.040 3.214) 3.378 8.505 ( 1.553 3.409 -0.435) 3.771 8.548 ( 1.897 -0.968 0.109) 2.132 8.820 ( 1.621 4.855 0.216) 5.123 8.915 ( 1.457 -4.347 0.004) 4.585 9.072 ( -0.023 0.403 0.867) 0.956 9.162 ( -0.240 -7.221 1.512) 7.381 9.378 ( 1.212 3.287 0.291) 3.516 9.447 ( 0.036 -2.574 -0.149) 2.578 9.543 ( -1.478 4.311 0.121) 4.559 9.624 ( -5.362 -3.065 1.254) 6.302 9.643 ( 0.397 2.524 -1.651) 3.042 9.722 ( 0.420 -5.594 -0.384) 5.623 9.998 ( -0.593 5.711 1.238) 5.874 10.103 ( -0.050 -3.771 -0.068) 3.772 12.685 ( -0.491 1.076 -1.629) 2.013 12.700 ( -1.270 -0.187 -1.033) 1.648 20.479 ( -0.026 4.532 -1.967) 4.941 20.514 ( -0.495 1.426 -2.194) 2.664 21.148 ( 0.341 -0.025 2.480) 2.503 21.177 ( 2.008 -2.682 1.571) 3.700 21.332 ( -0.948 3.741 2.767) 4.749 21.468 ( -0.645 -8.241 2.317) 8.585 21.743 ( 8.207 13.025 -0.840) 15.418 21.984 ( 10.203 -7.991 -0.367) 12.965 22.365 ( -4.814 4.075 -4.218) 7.588 22.469 ( -8.254 -5.854 -1.092) 10.178 22.867 ( -0.689 1.646 -0.256) 1.803 22.897 ( -0.747 -1.026 -0.746) 1.472 23.979 ( -0.245 1.626 1.096) 1.976 24.021 ( -0.061 -2.472 0.753) 2.585 ======================= Grid point 68 (39/69) ======================= q-point: (-0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 3.727 0.659 -8.927) 9.696 1.030 ( 0.620 -1.327 -8.471) 8.597 1.267 ( -5.301 4.860 -4.780) 8.635 1.357 ( -9.603 -2.454 -7.753) 12.584 1.425 ( 3.054 2.529 -6.107) 7.281 1.503 ( 3.295 -1.643 -4.656) 5.935 1.592 ( -6.585 2.893 2.672) 7.673 1.646 ( -0.341 -2.240 1.156) 2.544 1.693 ( -1.580 -0.705 0.160) 1.737 1.727 ( -2.749 -2.375 0.779) 3.715 1.891 ( -1.121 4.607 7.254) 8.666 1.964 ( -2.000 0.358 3.118) 3.722 1.988 ( 3.607 -2.201 2.854) 5.099 2.001 ( -0.690 1.216 1.644) 2.158 2.053 ( 0.956 -2.781 2.902) 4.132 2.080 ( 3.230 1.192 1.855) 3.911 2.115 ( -2.794 0.082 -0.070) 2.796 2.193 ( -1.146 -2.247 3.536) 4.344 2.205 ( 3.518 -0.596 -2.186) 4.185 2.227 ( 2.402 -2.919 -1.593) 4.102 2.336 ( 0.865 0.955 1.386) 1.892 2.360 ( 0.161 -1.020 1.596) 1.901 2.445 ( -0.892 1.286 1.204) 1.975 2.488 ( 1.064 -1.459 3.001) 3.503 2.570 ( -1.465 1.159 0.467) 1.925 2.626 ( -3.235 -1.319 -0.493) 3.528 2.649 ( 0.593 3.108 -0.381) 3.187 2.670 ( 1.716 -0.438 -4.801) 5.118 2.817 ( 2.036 2.045 1.587) 3.293 2.860 ( 0.822 -1.121 3.187) 3.477 2.886 ( 0.289 2.587 -1.890) 3.217 2.913 ( -0.418 0.790 1.494) 1.741 3.034 ( -3.132 1.236 -2.860) 4.417 3.080 ( -0.814 -0.492 0.475) 1.063 3.100 ( 2.460 2.135 -1.178) 3.464 3.169 ( 0.180 -3.905 0.768) 3.984 3.210 ( -1.983 3.976 -1.115) 4.580 3.260 ( -1.074 0.630 -3.317) 3.543 3.432 ( -0.389 2.430 1.034) 2.669 3.472 ( -1.913 -0.570 1.012) 2.237 3.532 ( 0.499 -0.507 -1.815) 1.950 3.538 ( 1.838 -1.627 -0.276) 2.470 3.644 ( 3.863 1.839 -2.197) 4.810 3.716 ( 2.955 -4.729 -2.706) 6.198 3.780 ( -1.328 6.451 4.262) 7.845 3.896 ( 0.465 -4.473 1.073) 4.623 4.274 ( 1.552 1.761 -1.118) 2.600 4.302 ( 1.758 -0.329 -1.924) 2.627 4.633 ( -3.800 -1.010 6.756) 7.817 4.685 ( 1.330 -5.846 9.002) 10.815 4.808 ( 0.096 4.299 -0.598) 4.341 4.899 ( -0.507 -3.828 -4.052) 5.597 5.233 ( -0.296 0.368 1.286) 1.370 5.254 ( -0.075 -1.593 1.270) 2.039 6.117 ( 2.172 2.438 -6.977) 7.704 6.171 ( 5.528 -1.915 -6.854) 9.011 6.530 ( -1.013 4.723 1.377) 5.023 6.611 ( -0.833 -2.671 -1.381) 3.120 6.950 ( -0.404 2.133 3.445) 4.072 6.977 ( 0.481 0.146 4.093) 4.124 8.511 ( -0.595 2.949 0.217) 3.016 8.568 ( 0.252 -2.798 -0.241) 2.819 8.824 ( -2.306 4.177 1.462) 4.990 8.908 ( -2.538 -3.986 0.582) 4.761 9.078 ( -0.606 3.204 1.241) 3.489 9.178 ( -0.439 -5.990 1.288) 6.142 9.353 ( -2.143 2.655 -3.695) 5.029 9.399 ( -1.394 -2.082 -0.472) 2.550 9.578 ( 1.778 0.638 2.295) 2.972 9.589 ( -0.537 -1.244 1.233) 1.832 9.682 ( 4.682 2.718 -0.514) 5.438 9.760 ( 4.200 -4.526 -0.065) 6.175 10.018 ( 1.051 3.606 1.915) 4.216 10.091 ( -0.552 -2.901 -0.912) 3.091 12.674 ( 0.797 1.100 -1.708) 2.182 12.692 ( 2.058 -0.515 -1.323) 2.500 20.458 ( 0.476 3.893 -2.103) 4.450 20.484 ( 0.486 1.288 -2.887) 3.198 21.166 ( -2.082 0.841 3.127) 3.850 21.214 ( -0.533 -3.271 2.743) 4.302 21.343 ( -1.330 3.912 2.446) 4.802 21.475 ( -0.997 -7.053 0.709) 7.159 21.806 ( -3.356 12.644 3.047) 13.432 22.062 ( -5.678 -8.047 3.681) 10.514 22.287 ( 4.793 0.108 -9.010) 10.206 22.339 ( 0.539 -2.587 -4.435) 5.163 22.855 ( -0.184 1.557 -0.462) 1.634 22.883 ( 0.192 -0.825 -1.088) 1.378 24.000 ( 0.655 1.826 1.788) 2.639 24.046 ( 1.684 -2.522 1.188) 3.257 ======================= Grid point 69 (40/69) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -2.519 3.540 -7.478) 8.649 0.957 ( -0.068 0.787 -5.725) 5.780 1.130 ( -6.676 3.027 -4.574) 8.640 1.159 ( -3.428 -2.676 -0.907) 4.443 1.366 ( -5.310 1.916 -2.548) 6.193 1.498 ( 0.157 -5.700 -3.286) 6.581 1.529 ( -3.141 2.691 1.620) 4.442 1.633 ( -1.185 -4.171 -0.727) 4.396 1.665 ( -1.893 1.379 1.564) 2.816 1.718 ( -0.128 -2.379 0.394) 2.415 1.910 ( -1.842 4.292 1.632) 4.947 1.964 ( -1.904 3.068 3.902) 5.316 2.016 ( -0.268 -1.349 1.084) 1.751 2.041 ( -0.447 -0.004 -0.873) 0.981 2.083 ( 0.487 -2.409 4.496) 5.124 2.111 ( 1.801 -2.991 -0.076) 3.493 2.168 ( 0.824 2.553 4.285) 5.056 2.207 ( -2.096 -1.085 1.239) 2.666 2.249 ( 2.136 0.236 0.840) 2.308 2.280 ( 1.975 -1.831 0.938) 2.852 2.351 ( 0.050 1.371 -1.382) 1.948 2.358 ( -2.157 1.320 0.233) 2.540 2.403 ( -2.847 3.261 0.979) 4.438 2.480 ( -5.092 -2.463 -0.084) 5.657 2.514 ( -4.208 0.839 -0.234) 4.297 2.557 ( -0.748 -1.992 1.692) 2.719 2.652 ( 3.801 1.347 -4.259) 5.865 2.661 ( 2.340 0.057 -3.348) 4.085 2.816 ( -1.926 6.154 -3.727) 7.448 2.875 ( -1.823 0.234 0.037) 1.838 2.909 ( -0.001 -0.930 0.632) 1.125 2.924 ( -1.095 1.828 1.979) 2.908 2.984 ( 3.540 2.504 -0.936) 4.436 3.038 ( -0.043 -1.009 -3.248) 3.402 3.084 ( -0.735 0.327 -1.307) 1.535 3.170 ( -1.016 -6.073 3.307) 6.989 3.234 ( 2.774 0.288 1.045) 2.978 3.243 ( -2.131 -0.428 0.132) 2.177 3.424 ( -2.596 1.531 1.437) 3.340 3.459 ( -0.041 -1.954 1.744) 2.619 3.542 ( 3.353 0.495 -3.799) 5.091 3.573 ( 4.608 -2.446 -2.775) 5.909 3.690 ( 2.297 1.469 0.161) 2.732 3.725 ( 0.670 -1.355 -1.777) 2.333 3.857 ( 5.834 6.050 3.714) 9.189 3.943 ( 4.785 -2.015 0.486) 5.214 4.289 ( 1.543 1.459 -0.826) 2.278 4.313 ( 1.380 0.136 -1.286) 1.891 4.639 ( -3.736 3.837 5.582) 7.735 4.807 ( 1.718 -0.526 4.515) 4.859 4.813 ( 0.213 -5.650 2.315) 6.110 4.860 ( 0.623 -4.479 -1.785) 4.862 5.242 ( 0.024 1.457 0.823) 1.674 5.289 ( 2.232 -2.875 2.519) 4.426 6.076 ( 3.663 5.729 -7.537) 10.152 6.214 ( 7.600 -7.028 -6.649) 12.303 6.528 ( -1.812 3.299 2.607) 4.579 6.580 ( -1.593 -1.298 -1.035) 2.301 6.981 ( 0.253 4.384 2.124) 4.878 7.027 ( 1.181 0.400 2.417) 2.719 8.492 ( -2.234 1.778 0.460) 2.892 8.543 ( -2.313 -3.125 -1.359) 4.119 8.780 ( -5.700 2.021 2.761) 6.648 8.839 ( -6.330 -3.462 -0.420) 7.227 9.082 ( -1.200 4.801 2.538) 5.561 9.172 ( -1.537 -3.724 1.436) 4.277 9.274 ( -1.832 5.984 -3.454) 7.148 9.412 ( 2.200 -6.423 -0.103) 6.790 9.596 ( 0.199 1.580 1.082) 1.926 9.641 ( 2.943 -1.671 1.437) 3.677 9.756 ( 5.853 4.312 -2.156) 7.583 9.851 ( 6.868 -4.604 -0.068) 8.269 10.074 ( 2.598 -0.072 1.865) 3.199 10.081 ( 1.246 -0.751 -0.425) 1.515 12.672 ( 1.597 2.736 -2.226) 3.872 12.726 ( 3.712 -2.140 -1.699) 4.609 20.461 ( 1.928 2.829 -0.552) 3.468 20.475 ( 1.986 1.066 -2.216) 3.161 21.147 ( -4.308 1.827 3.127) 5.628 21.214 ( -3.572 -4.019 3.168) 6.241 21.331 ( -2.429 3.952 0.431) 4.659 21.441 ( -2.679 -4.510 -1.616) 5.489 21.689 ( -12.110 8.542 0.959) 14.850 21.875 ( -16.102 -7.389 -0.735) 17.732 22.343 ( 10.431 2.913 -2.558) 11.128 22.429 ( 9.466 -4.592 -0.383) 10.528 22.852 ( 0.326 1.493 -0.267) 1.551 22.878 ( 0.498 -0.771 -0.926) 1.304 24.032 ( 1.156 2.543 1.145) 3.019 24.092 ( 2.789 -2.923 0.131) 4.042 ======================= Grid point 70 (41/69) ======================= q-point: (-0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.054 10.875 -0.330) 10.931 0.914 ( -1.316 7.183 0.985) 7.369 1.037 ( -4.589 9.716 0.185) 10.747 1.159 ( 1.865 -8.660 2.177) 9.122 1.246 ( -5.558 -3.116 0.616) 6.402 1.412 ( -5.978 -11.900 -2.758) 13.599 1.507 ( -1.903 3.210 0.481) 3.763 1.602 ( -2.179 -3.996 -0.246) 4.558 1.670 ( 0.401 3.734 -0.875) 3.856 1.726 ( 0.989 -2.098 0.394) 2.352 1.859 ( -5.202 6.289 -5.404) 9.789 1.911 ( -6.400 8.478 1.316) 10.703 1.994 ( -0.932 -1.124 -0.631) 1.591 2.047 ( -0.844 -1.217 -2.342) 2.771 2.089 ( -1.894 2.597 3.210) 4.543 2.123 ( -1.116 -2.368 1.371) 2.955 2.134 ( -3.537 -1.255 -1.686) 4.114 2.187 ( -2.866 0.274 1.639) 3.314 2.236 ( -4.614 -2.707 0.971) 5.437 2.275 ( -2.338 -4.052 2.960) 5.536 2.336 ( 1.478 1.988 -0.585) 2.545 2.352 ( 1.272 0.417 0.084) 1.342 2.407 ( -0.230 0.299 1.705) 1.747 2.446 ( 1.427 -2.367 0.955) 2.924 2.541 ( 6.384 2.862 0.316) 7.003 2.600 ( 2.899 -2.244 0.162) 3.669 2.669 ( 3.108 3.919 -2.497) 5.590 2.683 ( 3.570 1.896 -1.883) 4.459 2.770 ( 2.108 1.049 -4.065) 4.698 2.803 ( -2.843 -1.739 -4.057) 5.250 2.876 ( -4.294 -0.082 0.420) 4.315 2.892 ( -3.445 -1.446 -2.567) 4.533 3.008 ( 1.706 1.341 -1.157) 2.460 3.045 ( 1.459 -2.000 -0.770) 2.592 3.113 ( 1.941 2.828 3.069) 4.603 3.178 ( -3.326 -2.461 1.740) 4.488 3.184 ( -3.458 2.572 2.376) 4.921 3.290 ( -1.282 -6.854 3.529) 7.815 3.418 ( 4.002 4.023 -4.260) 7.095 3.491 ( 3.607 -1.671 -2.937) 4.943 3.566 ( 2.628 -0.591 1.635) 3.151 3.611 ( 3.820 -4.042 -4.377) 7.078 3.726 ( 1.471 -0.108 3.129) 3.460 3.732 ( 1.078 -0.259 2.703) 2.922 4.005 ( 8.703 5.059 -0.063) 10.067 4.051 ( 7.506 0.581 -0.007) 7.528 4.309 ( 1.315 -0.227 0.514) 1.430 4.316 ( 0.283 0.051 -0.403) 0.495 4.625 ( -3.909 7.818 2.739) 9.160 4.814 ( -1.553 -5.361 0.197) 5.584 4.834 ( 0.937 2.186 -1.190) 2.660 4.887 ( -0.954 -6.175 2.518) 6.737 5.253 ( 0.514 3.675 0.579) 3.755 5.383 ( 4.469 -8.328 3.482) 10.072 6.091 ( 5.939 9.613 -3.538) 11.841 6.281 ( 7.000 -8.166 -2.072) 10.954 6.513 ( -3.792 1.575 0.786) 4.181 6.544 ( -1.797 -1.308 1.877) 2.910 6.990 ( -0.095 4.979 -1.147) 5.110 7.061 ( 1.773 -1.504 -1.137) 2.587 8.450 ( -3.106 0.409 0.120) 3.135 8.474 ( -3.799 -1.596 -1.433) 4.363 8.688 ( -8.062 -0.039 -0.838) 8.105 8.716 ( -7.074 -2.763 0.786) 7.635 9.095 ( -1.818 3.979 3.822) 5.809 9.160 ( -3.412 -1.734 2.385) 4.510 9.236 ( 1.525 8.157 -1.775) 8.486 9.413 ( -0.495 -7.691 -3.534) 8.479 9.630 ( 2.091 4.801 1.284) 5.392 9.716 ( 4.798 -2.418 1.559) 5.595 9.836 ( 7.472 4.766 -2.400) 9.182 9.959 ( 6.111 -6.098 -0.578) 8.653 10.104 ( 2.669 1.290 -0.306) 2.980 10.150 ( 3.653 -2.536 0.972) 4.551 12.681 ( 2.177 4.512 -1.344) 5.187 12.770 ( 3.858 -3.698 -1.416) 5.528 20.500 ( 3.012 1.703 -0.799) 3.551 20.512 ( 3.858 1.200 0.625) 4.089 21.096 ( -5.711 2.129 2.584) 6.620 21.159 ( -7.159 -3.225 1.990) 8.100 21.268 ( -3.960 2.360 -1.875) 4.976 21.350 ( -5.994 -3.384 -2.422) 7.297 21.499 ( -9.776 4.354 -0.728) 10.726 21.602 ( -13.741 -4.233 -2.516) 14.597 22.519 ( 10.062 2.174 2.311) 10.551 22.589 ( 7.516 -4.294 3.508) 9.340 22.860 ( 0.699 1.043 0.252) 1.280 22.878 ( 0.339 -0.549 -0.208) 0.678 24.062 ( 1.854 3.393 0.069) 3.867 24.133 ( 3.204 -2.911 -1.622) 4.623 ======================= Grid point 71 (42/69) ======================= q-point: (-0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -3.220 14.506 -0.941) 14.888 0.906 ( -2.334 15.418 6.382) 16.849 0.968 ( -1.564 11.913 8.362) 14.638 1.212 ( 0.378 -7.000 3.203) 7.707 1.256 ( 1.710 -11.110 -1.564) 11.349 1.273 ( -4.461 -13.511 -2.182) 14.395 1.466 ( -2.547 1.304 -0.045) 2.861 1.549 ( -3.432 -5.171 -0.791) 6.256 1.614 ( -3.376 18.419 -0.643) 18.737 1.744 ( 0.118 -0.341 -0.464) 0.588 1.754 ( 0.293 -0.494 -2.672) 2.733 1.830 ( -2.453 2.116 -1.491) 3.566 1.959 ( -1.437 -0.394 -2.972) 3.324 2.014 ( 0.572 0.762 -2.822) 2.979 2.043 ( -3.091 -0.129 -1.743) 3.551 2.058 ( -2.010 -2.539 -4.244) 5.339 2.125 ( -1.563 -0.288 2.575) 3.026 2.163 ( -3.345 0.175 3.108) 4.570 2.207 ( -0.517 -3.662 1.401) 3.954 2.267 ( -2.422 -5.154 1.946) 6.018 2.355 ( 1.621 1.446 -0.486) 2.226 2.386 ( 3.070 -1.904 0.035) 3.613 2.470 ( 4.607 1.914 1.620) 5.245 2.502 ( 2.120 -0.816 2.566) 3.427 2.610 ( 2.916 2.912 -0.462) 4.146 2.649 ( 0.565 0.218 -0.476) 0.770 2.663 ( -0.253 4.538 -2.981) 5.435 2.717 ( 1.399 0.271 -4.583) 4.800 2.741 ( -4.421 0.701 -2.349) 5.055 2.751 ( 1.049 -0.093 -2.277) 2.509 2.809 ( -1.102 -2.806 -0.347) 3.034 2.822 ( 2.167 -2.533 1.434) 3.628 3.031 ( 1.029 1.465 -0.553) 1.873 3.056 ( 0.630 -1.073 -2.232) 2.555 3.114 ( -2.144 0.296 0.229) 2.177 3.122 ( -2.960 -0.052 0.285) 2.974 3.213 ( -0.342 0.756 2.842) 2.961 3.280 ( -2.562 -6.477 2.571) 7.424 3.401 ( 3.339 3.979 -9.433) 10.768 3.495 ( 2.768 -3.433 -7.391) 8.607 3.591 ( 1.935 1.306 -4.581) 5.142 3.644 ( 3.612 -2.651 -2.119) 4.956 3.823 ( 2.031 0.442 10.002) 10.216 3.866 ( 2.426 -2.966 12.821) 13.381 4.127 ( 8.511 4.201 -3.585) 10.146 4.172 ( 6.820 -0.503 0.529) 6.859 4.330 ( 2.837 1.620 -0.011) 3.267 4.352 ( 2.281 -0.904 2.814) 3.734 4.561 ( -5.608 6.203 -0.487) 8.377 4.715 ( -9.329 -7.842 -2.152) 12.376 4.842 ( 0.876 3.725 -0.424) 3.851 4.887 ( -0.400 -0.361 0.333) 0.633 5.269 ( 0.469 5.577 0.614) 5.630 5.461 ( 2.251 -11.615 -0.845) 11.861 6.194 ( 6.792 11.759 2.712) 13.847 6.377 ( 2.095 -5.551 3.221) 6.751 6.444 ( -4.603 4.217 0.953) 6.315 6.562 ( 0.577 -6.965 2.850) 7.548 6.958 ( -0.009 5.015 -3.759) 6.267 7.063 ( 1.874 -4.696 -2.540) 5.658 8.397 ( -2.883 -0.023 -1.272) 3.152 8.404 ( -2.967 -0.611 -0.546) 3.078 8.559 ( -5.038 1.867 -0.528) 5.399 8.626 ( -4.510 -4.483 0.359) 6.370 9.100 ( -1.621 4.022 2.291) 4.904 9.108 ( -4.225 3.081 0.780) 5.287 9.262 ( 0.413 1.011 -0.967) 1.459 9.346 ( 0.078 -5.429 -4.186) 6.856 9.661 ( 1.211 7.316 -0.853) 7.465 9.813 ( 4.166 -5.517 -0.113) 6.914 9.937 ( 6.904 4.471 -1.720) 8.403 10.030 ( 3.692 -4.412 -0.538) 5.778 10.152 ( 2.240 1.605 1.304) 3.048 10.205 ( 2.596 -3.021 -0.456) 4.009 12.723 ( 2.729 5.729 1.889) 6.621 12.827 ( 3.371 -4.023 1.491) 5.457 20.529 ( 1.627 2.848 -2.399) 4.064 20.578 ( 2.755 -1.171 -0.199) 3.000 21.026 ( -4.975 0.165 1.190) 5.118 21.040 ( -6.940 -0.963 0.314) 7.013 21.185 ( -3.311 0.017 -1.878) 3.807 21.211 ( -5.368 -1.833 -3.471) 6.651 21.383 ( -5.584 2.036 1.545) 6.141 21.422 ( -5.173 -1.251 -0.674) 5.364 22.684 ( 5.769 0.764 3.288) 6.684 22.724 ( 2.767 -3.108 4.853) 6.392 22.878 ( 0.692 0.647 0.623) 1.134 22.887 ( 0.062 -0.264 1.088) 1.122 24.090 ( 1.821 3.736 -0.860) 4.244 24.166 ( 3.393 -3.023 -1.902) 4.927 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -5.937 0.000 18.887) 19.798 0.866 ( 0.987 0.000 17.624) 17.652 1.183 ( 6.777 0.000 16.078) 17.448 1.190 ( 3.476 0.000 -4.473) 5.664 1.227 ( -3.127 0.000 -15.886) 16.190 1.302 ( -0.964 0.000 16.536) 16.564 1.475 ( -4.642 0.000 -7.175) 8.546 1.553 ( -0.571 0.000 1.648) 1.744 1.675 ( 0.408 0.000 -0.985) 1.066 1.703 ( 1.814 0.000 -3.642) 4.069 1.750 ( -0.190 0.000 1.200) 1.215 1.783 ( -0.774 0.000 3.239) 3.330 1.876 ( 1.140 0.000 -0.823) 1.406 1.908 ( 0.628 0.000 -3.517) 3.573 2.028 ( -3.441 0.000 -0.187) 3.446 2.085 ( 2.326 0.000 -2.669) 3.541 2.085 ( -1.359 0.000 -3.574) 3.823 2.101 ( -0.095 0.000 -2.214) 2.217 2.189 ( 0.835 0.000 -4.189) 4.271 2.198 ( 0.638 0.000 -4.765) 4.807 2.392 ( -8.108 0.000 1.734) 8.291 2.426 ( 2.188 0.000 5.279) 5.714 2.482 ( 2.525 0.000 -3.921) 4.663 2.532 ( 1.089 0.000 -2.637) 2.853 2.555 ( 2.862 0.000 -0.615) 2.928 2.578 ( 0.308 0.000 -3.307) 3.322 2.580 ( -1.817 0.000 1.783) 2.545 2.654 ( 4.367 0.000 -2.923) 5.255 2.687 ( -1.851 0.000 5.552) 5.853 2.771 ( -1.034 0.000 -0.195) 1.052 2.809 ( 1.107 0.000 0.335) 1.156 2.861 ( 1.990 0.000 -6.119) 6.434 2.987 ( -1.311 0.000 1.738) 2.177 3.001 ( 0.976 0.000 1.621) 1.892 3.065 ( 3.783 0.000 0.511) 3.818 3.083 ( -3.244 0.000 -1.769) 3.695 3.150 ( 1.998 0.000 2.080) 2.884 3.288 ( -2.535 0.000 -8.807) 9.165 3.421 ( 4.990 0.000 4.904) 6.996 3.527 ( -6.340 0.000 -4.208) 7.610 3.619 ( -0.303 0.000 -0.768) 0.826 3.652 ( -1.479 0.000 -2.143) 2.604 3.771 ( -1.851 0.000 2.715) 3.286 3.839 ( 4.158 0.000 -2.853) 5.042 4.310 ( -3.449 0.000 1.567) 3.788 4.325 ( -2.382 0.000 3.122) 3.927 4.345 ( -0.770 0.000 1.427) 1.622 4.435 ( 8.059 0.000 -4.719) 9.339 4.524 ( 1.928 0.000 1.019) 2.180 4.532 ( -8.153 0.000 0.218) 8.156 4.919 ( 4.144 0.000 8.850) 9.772 5.057 ( -0.871 0.000 0.022) 0.871 5.283 ( -0.822 0.000 -6.618) 6.669 5.287 ( -0.563 0.000 -3.210) 3.259 6.289 ( 7.508 0.000 17.721) 19.245 6.408 ( 6.605 0.000 2.340) 7.008 6.446 ( -9.826 0.000 0.627) 9.846 6.636 ( -4.173 0.000 -12.179) 12.875 6.953 ( 0.869 0.000 1.720) 1.927 7.001 ( -1.572 0.000 -4.287) 4.566 8.369 ( 4.079 0.000 -0.035) 4.079 8.378 ( -4.379 0.000 -0.902) 4.471 8.523 ( 6.461 0.000 2.239) 6.838 8.590 ( -6.406 0.000 -4.251) 7.688 9.012 ( -1.562 0.000 1.904) 2.463 9.025 ( 0.203 0.000 0.725) 0.753 9.327 ( 2.454 0.000 7.214) 7.619 9.455 ( 0.529 0.000 -4.914) 4.943 9.702 ( -4.655 0.000 3.742) 5.973 9.784 ( 6.389 0.000 -4.121) 7.603 10.033 ( 0.005 0.000 1.753) 1.753 10.068 ( -3.120 0.000 -1.833) 3.619 10.158 ( 0.528 0.000 2.541) 2.596 10.229 ( 1.069 0.000 -3.467) 3.628 12.707 ( 0.765 0.000 5.530) 5.583 12.817 ( -0.618 0.000 -4.930) 4.969 20.482 ( -4.063 0.000 5.412) 6.767 20.604 ( 8.538 0.000 -6.126) 10.509 21.004 ( -6.690 0.000 0.159) 6.692 21.029 ( 4.503 0.000 -2.225) 5.023 21.106 ( 2.955 0.000 0.935) 3.099 21.124 ( -4.991 0.000 -0.814) 5.057 21.294 ( -0.535 0.000 3.303) 3.346 21.350 ( 1.852 0.000 -1.941) 2.683 22.854 ( 2.023 0.000 3.100) 3.702 22.871 ( -0.209 0.000 0.730) 0.760 22.881 ( 0.358 0.000 -0.089) 0.369 22.903 ( -6.328 0.000 -1.733) 6.561 24.138 ( -2.527 0.000 5.086) 5.679 24.253 ( 5.643 0.000 -5.698) 8.019 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.786 0.000 10.735) 10.764 1.005 ( -1.458 0.000 -12.160) 12.247 1.074 ( 3.033 0.000 13.333) 13.674 1.097 ( -1.454 0.000 -13.322) 13.401 1.385 ( 4.758 0.000 -5.816) 7.514 1.492 ( 10.565 0.000 9.175) 13.993 1.529 ( 4.117 0.000 8.643) 9.574 1.556 ( 4.321 0.000 -6.535) 7.834 1.639 ( -3.083 0.000 -2.740) 4.125 1.659 ( -1.077 0.000 -0.739) 1.306 1.785 ( 0.834 0.000 1.566) 1.774 1.787 ( 0.187 0.000 -2.228) 2.236 1.906 ( 3.387 0.000 -0.394) 3.410 1.908 ( 3.681 0.000 -2.594) 4.503 2.028 ( -1.439 0.000 1.339) 1.966 2.073 ( 2.913 0.000 9.065) 9.522 2.087 ( 0.789 0.000 -0.793) 1.118 2.114 ( 3.415 0.000 -1.219) 3.626 2.184 ( 1.989 0.000 -1.689) 2.609 2.184 ( 2.619 0.000 -1.585) 3.062 2.311 ( -5.575 0.000 6.155) 8.305 2.435 ( -4.411 0.000 -5.860) 7.334 2.437 ( -2.582 0.000 0.305) 2.600 2.515 ( -3.157 0.000 2.412) 3.973 2.567 ( 0.229 0.000 -2.322) 2.333 2.591 ( 7.092 0.000 -0.113) 7.093 2.605 ( 1.531 0.000 0.398) 1.582 2.654 ( 0.578 0.000 -5.311) 5.343 2.774 ( 2.563 0.000 5.045) 5.659 2.800 ( 5.219 0.000 -2.328) 5.715 2.828 ( 1.762 0.000 0.284) 1.785 2.852 ( 3.915 0.000 -4.971) 6.327 2.980 ( -4.970 0.000 2.319) 5.484 2.999 ( -0.965 0.000 -1.387) 1.690 3.019 ( 0.240 0.000 -2.735) 2.746 3.127 ( 2.805 0.000 1.856) 3.363 3.136 ( -4.318 0.000 -5.362) 6.885 3.248 ( 2.262 0.000 6.070) 6.478 3.347 ( -8.613 0.000 -4.094) 9.536 3.536 ( -1.207 0.000 3.012) 3.245 3.605 ( 0.361 0.000 3.406) 3.425 3.627 ( -1.163 0.000 2.529) 2.784 3.737 ( -4.869 0.000 1.805) 5.193 3.842 ( 1.532 0.000 -5.206) 5.427 4.266 ( -5.582 0.000 3.856) 6.785 4.270 ( -8.420 0.000 2.743) 8.855 4.351 ( 0.990 0.000 -0.665) 1.192 4.443 ( 2.049 0.000 -4.505) 4.949 4.481 ( -1.314 0.000 1.089) 1.706 4.600 ( 3.500 0.000 4.999) 6.102 4.934 ( -5.648 0.000 -10.313) 11.759 5.043 ( 0.897 0.000 4.796) 4.879 5.256 ( 0.172 0.000 0.399) 0.434 5.265 ( -0.010 0.000 2.008) 2.008 6.294 ( -10.296 0.000 -14.195) 17.536 6.312 ( -6.419 0.000 0.075) 6.419 6.544 ( 1.436 0.000 13.729) 13.804 6.618 ( 8.854 0.000 -0.498) 8.868 6.933 ( -3.118 0.000 -1.556) 3.485 6.978 ( -0.232 0.000 2.282) 2.293 8.330 ( -0.773 0.000 -0.018) 0.773 8.455 ( 1.578 0.000 0.038) 1.579 8.496 ( 3.933 0.000 -2.292) 4.552 8.692 ( 9.802 0.000 3.071) 10.272 9.048 ( 3.020 0.000 2.097) 3.677 9.078 ( 5.577 0.000 0.008) 5.577 9.377 ( -1.040 0.000 -8.431) 8.495 9.414 ( 0.978 0.000 3.435) 3.572 9.641 ( -6.554 0.000 3.128) 7.262 9.816 ( 2.382 0.000 -6.959) 7.356 9.993 ( -3.980 0.000 1.787) 4.362 10.057 ( -1.434 0.000 4.284) 4.518 10.118 ( -7.677 0.000 2.462) 8.062 10.140 ( -5.925 0.000 -4.787) 7.617 12.736 ( -2.055 0.000 -5.140) 5.536 12.761 ( -1.281 0.000 4.987) 5.149 20.452 ( -4.891 0.000 3.262) 5.879 20.581 ( -1.768 0.000 -6.958) 7.179 20.995 ( 5.081 0.000 1.230) 5.228 21.037 ( -0.552 0.000 -0.517) 0.756 21.144 ( 5.552 0.000 0.689) 5.595 21.182 ( 3.071 0.000 2.262) 3.814 21.398 ( 9.395 0.000 1.276) 9.481 21.416 ( 9.126 0.000 -3.285) 9.700 22.768 ( -8.923 0.000 -0.029) 8.923 22.855 ( -1.662 0.000 0.979) 1.929 22.892 ( 0.414 0.000 -0.785) 0.888 22.916 ( -0.567 0.000 5.352) 5.382 24.111 ( -6.075 0.000 2.417) 6.538 24.217 ( -0.392 0.000 -6.415) 6.427 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.441 0.000 -17.113) 17.118 0.927 ( 7.841 0.000 -11.216) 13.685 0.997 ( 7.837 0.000 -5.666) 9.671 1.242 ( 2.531 0.000 7.493) 7.909 1.444 ( 0.165 0.000 3.975) 3.979 1.537 ( 2.416 0.000 -6.620) 7.047 1.564 ( -2.804 0.000 2.466) 3.734 1.626 ( 0.184 0.000 5.411) 5.415 1.649 ( 4.671 0.000 -2.704) 5.397 1.725 ( 7.626 0.000 1.911) 7.862 1.772 ( 0.634 0.000 -0.738) 0.973 1.809 ( 2.450 0.000 -0.912) 2.614 1.971 ( 4.294 0.000 0.567) 4.332 1.976 ( 5.941 0.000 -0.059) 5.941 2.040 ( -0.782 0.000 4.765) 4.829 2.087 ( -0.074 0.000 -0.091) 0.117 2.165 ( -1.655 0.000 -1.301) 2.105 2.176 ( 2.609 0.000 2.411) 3.553 2.228 ( 4.386 0.000 1.332) 4.584 2.252 ( 5.401 0.000 -0.224) 5.406 2.327 ( -2.640 0.000 -2.192) 3.432 2.383 ( -2.200 0.000 -1.209) 2.510 2.431 ( 6.100 0.000 11.460) 12.982 2.503 ( -3.096 0.000 -4.335) 5.327 2.510 ( -1.230 0.000 3.804) 3.998 2.583 ( -6.107 0.000 -2.186) 6.487 2.606 ( 0.323 0.000 -2.779) 2.798 2.691 ( 5.717 0.000 -3.564) 6.737 2.732 ( -1.067 0.000 -1.218) 1.619 2.838 ( 4.424 0.000 -6.832) 8.139 2.873 ( 3.000 0.000 -1.133) 3.206 2.886 ( -4.891 0.000 0.152) 4.894 2.923 ( -3.134 0.000 0.491) 3.172 2.968 ( -1.794 0.000 1.991) 2.680 2.980 ( 0.163 0.000 -0.577) 0.600 3.104 ( 1.892 0.000 1.862) 2.654 3.172 ( 0.573 0.000 0.518) 0.772 3.228 ( -2.162 0.000 1.138) 2.443 3.316 ( -0.196 0.000 2.406) 2.414 3.484 ( -5.524 0.000 3.777) 6.692 3.634 ( -2.215 0.000 4.052) 4.617 3.673 ( -2.074 0.000 0.348) 2.103 3.713 ( 0.055 0.000 7.128) 7.128 3.777 ( -0.757 0.000 -7.592) 7.630 4.141 ( -6.650 0.000 -1.934) 6.926 4.177 ( -10.189 0.000 0.653) 10.210 4.350 ( -0.942 0.000 0.077) 0.945 4.400 ( 0.170 0.000 -6.838) 6.840 4.527 ( 3.875 0.000 4.083) 5.629 4.737 ( -4.414 0.000 -7.241) 8.480 4.738 ( 2.617 0.000 10.306) 10.633 5.030 ( -1.391 0.000 -4.292) 4.512 5.286 ( -0.970 0.000 2.693) 2.862 5.334 ( 1.360 0.000 9.001) 9.103 5.997 ( -7.103 0.000 -11.131) 13.204 6.249 ( -2.076 0.000 1.047) 2.325 6.612 ( -6.064 0.000 6.038) 8.557 6.712 ( 4.235 0.000 -4.713) 6.336 6.863 ( -2.267 0.000 -1.464) 2.698 6.992 ( -1.063 0.000 2.075) 2.331 8.351 ( 1.189 0.000 2.794) 3.036 8.455 ( 1.075 0.000 1.752) 2.056 8.624 ( 8.773 0.000 0.096) 8.774 8.878 ( 9.029 0.000 1.956) 9.238 9.132 ( 4.316 0.000 0.836) 4.397 9.188 ( 8.085 0.000 -1.284) 8.186 9.252 ( -1.538 0.000 -9.768) 9.888 9.433 ( -0.669 0.000 -0.371) 0.765 9.575 ( -6.135 0.000 4.439) 7.573 9.669 ( -6.261 0.000 -9.437) 11.325 9.930 ( -5.876 0.000 -3.458) 6.818 9.998 ( -10.271 0.000 3.621) 10.891 10.067 ( 0.755 0.000 3.333) 3.418 10.071 ( -2.390 0.000 3.793) 4.483 12.661 ( -0.865 0.000 -3.640) 3.742 12.772 ( -2.975 0.000 3.446) 4.552 20.402 ( -4.200 0.000 1.175) 4.361 20.467 ( -3.452 0.000 -4.494) 5.666 21.065 ( 4.018 0.000 0.731) 4.084 21.124 ( 8.367 0.000 -0.149) 8.368 21.250 ( 4.793 0.000 2.842) 5.573 21.259 ( 2.705 0.000 3.693) 4.578 21.525 ( 8.176 0.000 -4.315) 9.244 21.596 ( 13.549 0.000 0.024) 13.549 22.596 ( -11.269 0.000 -1.581) 11.380 22.836 ( -1.716 0.000 0.595) 1.816 22.881 ( -0.293 0.000 -1.330) 1.362 22.959 ( -3.620 0.000 7.509) 8.336 24.012 ( -5.269 0.000 -1.501) 5.479 24.138 ( -1.389 0.000 -4.426) 4.639 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 5.758 0.000 -10.423) 11.908 0.993 ( 12.504 0.000 -9.616) 15.774 1.087 ( 14.230 0.000 -8.945) 16.808 1.293 ( -3.179 0.000 3.543) 4.760 1.419 ( -1.230 0.000 -4.194) 4.370 1.462 ( -4.532 0.000 -0.879) 4.617 1.647 ( 7.988 0.000 1.805) 8.189 1.668 ( -2.438 0.000 3.269) 4.078 1.747 ( 6.012 0.000 1.949) 6.320 1.806 ( 0.842 0.000 2.202) 2.357 1.824 ( 2.375 0.000 5.911) 6.370 1.826 ( 0.013 0.000 -2.827) 2.827 2.027 ( -5.364 0.000 4.039) 6.715 2.059 ( 2.932 0.000 0.798) 3.039 2.068 ( 3.556 0.000 1.969) 4.065 2.072 ( -3.042 0.000 1.236) 3.283 2.168 ( 1.170 0.000 4.117) 4.280 2.224 ( -0.615 0.000 1.358) 1.491 2.279 ( -0.686 0.000 -3.058) 3.134 2.293 ( 3.286 0.000 -0.247) 3.295 2.302 ( -2.466 0.000 -4.646) 5.260 2.329 ( 4.872 0.000 -4.368) 6.544 2.396 ( -3.106 0.000 -4.844) 5.754 2.460 ( -0.217 0.000 0.898) 0.924 2.533 ( -0.684 0.000 1.388) 1.548 2.546 ( 1.918 0.000 -0.231) 1.932 2.634 ( 0.760 0.000 2.266) 2.390 2.701 ( 2.713 0.000 -2.394) 3.618 2.770 ( -0.263 0.000 1.943) 1.961 2.819 ( 3.046 0.000 -6.998) 7.632 2.837 ( -0.468 0.000 1.900) 1.957 2.847 ( -1.557 0.000 -4.028) 4.319 2.908 ( 1.245 0.000 0.491) 1.338 3.011 ( 1.997 0.000 1.111) 2.285 3.037 ( 3.747 0.000 7.639) 8.508 3.157 ( -1.954 0.000 -0.911) 2.156 3.157 ( 1.309 0.000 2.126) 2.496 3.253 ( -7.150 0.000 -4.293) 8.339 3.253 ( 1.459 0.000 2.636) 3.012 3.478 ( -1.702 0.000 6.457) 6.677 3.608 ( -6.110 0.000 1.586) 6.313 3.657 ( -2.135 0.000 3.313) 3.941 3.706 ( 1.706 0.000 -3.801) 4.166 3.756 ( -2.669 0.000 2.437) 3.614 3.953 ( -9.469 0.000 -7.718) 12.216 4.038 ( -2.074 0.000 -4.132) 4.624 4.313 ( -3.162 0.000 -0.735) 3.246 4.325 ( -1.779 0.000 -4.004) 4.381 4.653 ( 0.208 0.000 3.172) 3.179 4.691 ( 7.537 0.000 2.036) 7.807 4.871 ( -3.152 0.000 11.447) 11.873 4.961 ( 1.284 0.000 -4.897) 5.063 5.289 ( -1.802 0.000 2.068) 2.743 5.410 ( -3.499 0.000 5.453) 6.479 5.863 ( 0.588 0.000 -3.408) 3.459 6.261 ( -0.425 0.000 3.901) 3.925 6.504 ( -8.932 0.000 -1.582) 9.071 6.654 ( 0.169 0.000 -8.085) 8.087 6.862 ( 1.905 0.000 -0.267) 1.924 6.984 ( -1.672 0.000 0.479) 1.739 8.409 ( 0.617 0.000 4.392) 4.435 8.528 ( 3.063 0.000 4.417) 5.375 8.743 ( 5.338 0.000 -0.469) 5.358 9.015 ( 6.472 0.000 -0.266) 6.478 9.137 ( -0.265 0.000 -7.708) 7.713 9.154 ( -0.011 0.000 -5.043) 5.043 9.295 ( 6.433 0.000 -1.014) 6.512 9.406 ( 0.826 0.000 -1.161) 1.425 9.536 ( -1.899 0.000 -1.635) 2.506 9.554 ( -2.902 0.000 5.042) 5.817 9.809 ( -3.664 0.000 -3.634) 5.160 9.876 ( -9.563 0.000 3.662) 10.240 10.063 ( -2.585 0.000 2.631) 3.688 10.120 ( 0.196 0.000 2.958) 2.965 12.632 ( 0.753 0.000 -1.780) 1.933 12.744 ( -3.725 0.000 1.596) 4.053 20.346 ( -3.255 0.000 0.229) 3.263 20.384 ( -1.535 0.000 -3.165) 3.517 21.163 ( 5.102 0.000 2.114) 5.523 21.230 ( 4.702 0.000 -0.500) 4.728 21.349 ( 2.598 0.000 3.739) 4.553 21.352 ( 3.474 0.000 3.595) 4.999 21.595 ( 6.867 0.000 -3.274) 7.608 21.825 ( 13.267 0.000 1.166) 13.318 22.377 ( -11.534 0.000 -3.594) 12.081 22.804 ( -3.372 0.000 -0.447) 3.401 22.860 ( -0.209 0.000 -1.422) 1.437 22.919 ( -7.155 0.000 1.285) 7.270 23.956 ( -0.762 0.000 0.910) 1.187 24.088 ( -0.162 0.000 -2.528) 2.533 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 11.155 0.000 -3.958) 11.837 1.020 ( -1.062 0.000 -7.356) 7.432 1.258 ( -4.065 0.000 2.938) 5.016 1.276 ( 16.136 0.000 -2.794) 16.376 1.359 ( 1.350 0.000 -6.148) 6.294 1.430 ( 0.969 0.000 0.621) 1.151 1.624 ( -7.284 0.000 3.840) 8.234 1.676 ( -6.607 0.000 -4.035) 7.742 1.788 ( -1.919 0.000 1.207) 2.267 1.838 ( 3.909 0.000 -2.772) 4.792 1.866 ( 4.875 0.000 4.814) 6.852 1.915 ( 2.905 0.000 1.945) 3.496 1.978 ( -6.542 0.000 8.687) 10.875 2.044 ( -1.527 0.000 2.831) 3.217 2.108 ( 3.708 0.000 -0.387) 3.729 2.130 ( -1.641 0.000 1.796) 2.433 2.156 ( -2.067 0.000 -3.174) 3.788 2.198 ( 0.836 0.000 -1.897) 2.073 2.265 ( 0.043 0.000 1.723) 1.724 2.289 ( 0.591 0.000 0.630) 0.864 2.329 ( 1.685 0.000 -2.055) 2.657 2.377 ( 1.922 0.000 -0.998) 2.166 2.384 ( 5.890 0.000 4.039) 7.142 2.515 ( -3.107 0.000 -0.876) 3.228 2.517 ( 0.344 0.000 3.392) 3.410 2.552 ( 10.785 0.000 -7.827) 13.326 2.699 ( -0.413 0.000 -6.005) 6.019 2.706 ( 0.335 0.000 2.676) 2.697 2.721 ( -4.615 0.000 -0.119) 4.617 2.758 ( -3.368 0.000 -4.029) 5.251 2.792 ( -2.609 0.000 -0.496) 2.656 2.870 ( -4.977 0.000 -5.848) 7.679 2.892 ( 1.707 0.000 4.904) 5.193 3.016 ( -2.484 0.000 -2.547) 3.557 3.051 ( 1.986 0.000 0.940) 2.197 3.128 ( -2.663 0.000 -1.594) 3.103 3.230 ( 6.134 0.000 5.089) 7.971 3.235 ( 4.140 0.000 5.257) 6.692 3.329 ( 3.403 0.000 2.016) 3.956 3.532 ( -0.236 0.000 4.013) 4.020 3.535 ( -1.436 0.000 -0.361) 1.481 3.582 ( -8.312 0.000 -5.350) 9.885 3.699 ( -5.179 0.000 4.540) 6.887 3.707 ( -0.266 0.000 -0.019) 0.267 3.827 ( 1.643 0.000 -4.324) 4.625 3.966 ( -0.959 0.000 -5.758) 5.837 4.252 ( -2.086 0.000 -1.113) 2.364 4.262 ( -1.469 0.000 -2.386) 2.802 4.687 ( -0.179 0.000 5.239) 5.242 4.851 ( -3.126 0.000 -0.335) 3.144 4.896 ( 11.915 0.000 3.046) 12.299 4.980 ( -3.620 0.000 4.783) 5.999 5.277 ( -1.996 0.000 1.660) 2.597 5.351 ( -4.285 0.000 -1.243) 4.462 5.932 ( 7.758 0.000 2.833) 8.259 6.225 ( -10.234 0.000 -0.720) 10.259 6.400 ( 1.267 0.000 0.621) 1.411 6.581 ( 0.099 0.000 -6.720) 6.721 6.893 ( 1.816 0.000 0.205) 1.828 6.951 ( -1.915 0.000 -0.903) 2.117 8.464 ( -0.125 0.000 5.209) 5.211 8.613 ( 3.140 0.000 -0.567) 3.191 8.795 ( 0.857 0.000 3.441) 3.546 9.041 ( -1.723 0.000 -5.605) 5.864 9.080 ( 0.203 0.000 -3.405) 3.411 9.091 ( 1.502 0.000 -3.293) 3.619 9.395 ( 5.699 0.000 2.010) 6.043 9.461 ( 4.395 0.000 1.875) 4.778 9.514 ( -2.015 0.000 0.395) 2.053 9.559 ( -1.665 0.000 1.091) 1.991 9.747 ( 1.729 0.000 -3.414) 3.826 9.768 ( -7.883 0.000 2.544) 8.283 10.061 ( -0.705 0.000 2.727) 2.816 10.129 ( -1.093 0.000 0.364) 1.152 12.644 ( 2.231 0.000 -0.484) 2.282 12.692 ( -3.538 0.000 0.183) 3.543 20.309 ( -1.881 0.000 0.685) 2.002 20.346 ( 0.496 0.000 -2.591) 2.638 21.244 ( 2.218 0.000 1.197) 2.520 21.271 ( 1.265 0.000 -0.389) 1.324 21.406 ( -0.916 0.000 4.125) 4.225 21.429 ( 1.833 0.000 2.003) 2.715 21.716 ( 10.102 0.000 0.623) 10.121 21.959 ( -3.138 0.000 -1.443) 3.454 22.247 ( 4.114 0.000 1.198) 4.285 22.644 ( -11.081 0.000 -7.144) 13.184 22.843 ( -2.111 0.000 0.077) 2.113 22.848 ( 0.480 0.000 -1.183) 1.277 23.983 ( 0.061 0.000 3.570) 3.570 24.074 ( 1.358 0.000 -2.229) 2.610 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -11.447 0.000 -3.785) 12.056 0.970 ( 4.365 0.000 -2.215) 4.895 1.237 ( -5.899 0.000 3.888) 7.065 1.308 ( -10.617 0.000 -4.114) 11.386 1.338 ( 3.690 0.000 -4.995) 6.210 1.445 ( -0.443 0.000 -0.185) 0.480 1.593 ( 4.694 0.000 4.620) 6.586 1.661 ( 4.818 0.000 0.813) 4.886 1.762 ( -2.692 0.000 3.041) 4.062 1.825 ( 0.102 0.000 -2.418) 2.420 1.945 ( -0.499 0.000 -2.776) 2.821 1.948 ( 1.415 0.000 -0.369) 1.463 2.006 ( -2.704 0.000 8.281) 8.711 2.072 ( 0.640 0.000 1.127) 1.296 2.107 ( -0.079 0.000 -1.599) 1.601 2.120 ( 0.837 0.000 -0.924) 1.247 2.153 ( -0.591 0.000 -2.710) 2.774 2.181 ( 4.791 0.000 0.200) 4.795 2.268 ( -6.435 0.000 0.832) 6.489 2.286 ( -0.995 0.000 0.485) 1.107 2.364 ( -0.289 0.000 1.362) 1.392 2.373 ( -0.193 0.000 -3.465) 3.470 2.429 ( -12.906 0.000 2.661) 13.178 2.473 ( -6.379 0.000 -3.745) 7.397 2.509 ( 2.255 0.000 2.710) 3.526 2.561 ( 4.741 0.000 4.269) 6.379 2.569 ( 1.979 0.000 -5.339) 5.695 2.672 ( -4.291 0.000 4.613) 6.300 2.731 ( -3.900 0.000 -0.249) 3.908 2.785 ( 2.872 0.000 -4.444) 5.291 2.786 ( 15.881 0.000 -1.198) 15.926 2.828 ( 4.673 0.000 -2.138) 5.139 2.949 ( -0.433 0.000 4.171) 4.194 2.981 ( -2.849 0.000 -1.669) 3.302 3.083 ( 0.112 0.000 -3.059) 3.061 3.103 ( 2.412 0.000 1.221) 2.704 3.321 ( -1.349 0.000 -2.307) 2.673 3.329 ( -0.494 0.000 0.634) 0.804 3.397 ( -3.861 0.000 -7.897) 8.790 3.434 ( 9.732 0.000 6.641) 11.782 3.514 ( -3.307 0.000 1.113) 3.489 3.565 ( 1.163 0.000 1.139) 1.628 3.682 ( -1.236 0.000 3.662) 3.865 3.704 ( -0.350 0.000 2.093) 2.122 3.859 ( 2.006 0.000 2.501) 3.206 3.877 ( -0.824 0.000 -6.627) 6.678 4.239 ( 0.804 0.000 -0.370) 0.885 4.246 ( 2.145 0.000 -0.332) 2.171 4.753 ( 0.454 0.000 6.046) 6.063 4.796 ( -1.730 0.000 -2.757) 3.255 4.893 ( -10.070 0.000 1.082) 10.128 5.104 ( 10.707 0.000 -2.727) 11.049 5.282 ( 0.914 0.000 4.444) 4.537 5.307 ( 0.481 0.000 -1.091) 1.192 6.013 ( -9.744 0.000 -4.832) 10.876 6.150 ( 12.719 0.000 5.234) 13.754 6.467 ( 1.586 0.000 4.093) 4.390 6.491 ( -2.113 0.000 -6.910) 7.226 6.908 ( -1.854 0.000 -1.180) 2.197 6.930 ( 2.118 0.000 1.100) 2.387 8.516 ( -1.003 0.000 5.693) 5.780 8.593 ( 0.529 0.000 -6.898) 6.919 8.881 ( 0.026 0.000 9.804) 9.804 8.925 ( -3.690 0.000 -6.419) 7.404 9.049 ( -1.808 0.000 -0.738) 1.953 9.067 ( -1.448 0.000 -1.292) 1.941 9.437 ( -5.828 0.000 -1.989) 6.158 9.487 ( -1.220 0.000 -0.110) 1.225 9.543 ( 4.448 0.000 -0.501) 4.476 9.562 ( 5.605 0.000 0.329) 5.614 9.681 ( -5.130 0.000 1.795) 5.435 9.809 ( 8.223 0.000 -1.475) 8.354 10.104 ( 1.808 0.000 2.829) 3.357 10.106 ( -0.556 0.000 -1.268) 1.384 12.640 ( -2.716 0.000 -0.159) 2.721 12.692 ( 3.798 0.000 0.187) 3.802 20.301 ( -0.445 0.000 1.476) 1.542 20.341 ( 2.092 0.000 -2.354) 3.149 21.261 ( -1.201 0.000 0.461) 1.286 21.267 ( -0.915 0.000 -0.874) 1.265 21.411 ( -3.257 0.000 3.603) 4.857 21.446 ( -1.778 0.000 0.849) 1.970 21.774 ( -10.050 0.000 -4.870) 11.168 21.906 ( 8.102 0.000 3.082) 8.669 22.367 ( -9.134 0.000 -9.173) 12.945 22.466 ( 11.356 0.000 8.490) 14.179 22.826 ( -0.890 0.000 0.807) 1.202 22.850 ( 1.073 0.000 -0.671) 1.266 24.017 ( -0.391 0.000 3.013) 3.039 24.070 ( 1.921 0.000 -4.069) 4.499 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -9.942 0.000 2.105) 10.162 0.878 ( -12.995 0.000 -0.218) 12.997 0.972 ( -18.772 0.000 0.338) 18.775 1.310 ( 1.903 0.000 4.506) 4.891 1.360 ( 3.717 0.000 -3.297) 4.968 1.437 ( 2.418 0.000 1.517) 2.855 1.653 ( -11.754 0.000 0.302) 11.758 1.677 ( -2.211 0.000 -0.210) 2.221 1.789 ( 0.251 0.000 1.752) 1.770 1.794 ( -7.715 0.000 3.675) 8.545 1.815 ( -0.711 0.000 -1.142) 1.345 1.925 ( -0.218 0.000 -4.674) 4.679 2.064 ( -1.564 0.000 0.980) 1.846 2.078 ( -0.237 0.000 1.446) 1.465 2.081 ( 0.307 0.000 -0.395) 0.500 2.149 ( -3.827 0.000 5.968) 7.090 2.164 ( 2.191 0.000 2.706) 3.481 2.212 ( -0.250 0.000 -3.673) 3.682 2.223 ( 9.911 0.000 -0.662) 9.933 2.256 ( -3.876 0.000 -5.465) 6.700 2.318 ( -2.458 0.000 -1.452) 2.855 2.318 ( 2.733 0.000 2.286) 3.563 2.348 ( -2.816 0.000 -4.584) 5.380 2.427 ( 1.132 0.000 3.461) 3.641 2.559 ( -0.939 0.000 -2.122) 2.321 2.581 ( 4.132 0.000 -0.897) 4.228 2.653 ( -3.337 0.000 2.984) 4.477 2.664 ( 0.294 0.000 1.947) 1.970 2.686 ( -1.082 0.000 2.791) 2.993 2.804 ( 3.933 0.000 -1.258) 4.130 2.857 ( 1.418 0.000 -2.647) 3.003 2.891 ( -3.398 0.000 2.067) 3.977 2.893 ( -2.316 0.000 -4.173) 4.772 3.050 ( -0.642 0.000 -2.661) 2.737 3.110 ( 7.345 0.000 2.017) 7.616 3.161 ( 6.233 0.000 3.641) 7.218 3.221 ( -6.942 0.000 -4.472) 8.258 3.240 ( 0.667 0.000 -9.392) 9.416 3.306 ( 1.937 0.000 -2.907) 3.493 3.548 ( 2.035 0.000 3.124) 3.728 3.554 ( -0.404 0.000 -0.412) 0.577 3.684 ( 7.675 0.000 2.797) 8.169 3.707 ( 0.494 0.000 0.841) 0.975 3.738 ( 0.820 0.000 8.991) 9.028 3.837 ( 4.558 0.000 -5.175) 6.897 3.924 ( 0.944 0.000 5.346) 5.429 4.278 ( 2.176 0.000 2.344) 3.199 4.295 ( 3.614 0.000 -0.050) 3.614 4.716 ( -9.925 0.000 0.685) 9.949 4.742 ( -1.101 0.000 -5.559) 5.667 4.828 ( 0.720 0.000 5.835) 5.879 5.117 ( 1.467 0.000 -9.229) 9.344 5.319 ( 1.640 0.000 -0.729) 1.795 5.445 ( 9.874 0.000 3.495) 10.475 5.844 ( -5.635 0.000 -1.800) 5.915 6.364 ( -0.630 0.000 -6.198) 6.230 6.436 ( 11.487 0.000 4.554) 12.357 6.513 ( -1.431 0.000 4.271) 4.504 6.870 ( -1.310 0.000 -0.937) 1.610 6.986 ( 3.454 0.000 0.627) 3.510 8.515 ( -0.982 0.000 -5.911) 5.992 8.540 ( -2.701 0.000 3.502) 4.423 8.787 ( -5.435 0.000 -5.074) 7.435 8.973 ( -4.720 0.000 8.339) 9.582 9.001 ( -1.477 0.000 2.341) 2.768 9.037 ( -2.255 0.000 2.356) 3.261 9.305 ( -6.928 0.000 -2.273) 7.292 9.420 ( -2.845 0.000 -2.016) 3.487 9.578 ( 1.506 0.000 -4.295) 4.551 9.636 ( 5.153 0.000 -2.954) 5.939 9.712 ( 3.408 0.000 5.778) 6.708 9.939 ( 9.353 0.000 -2.251) 9.620 10.103 ( 2.108 0.000 -1.015) 2.340 10.158 ( 2.374 0.000 -0.086) 2.375 12.606 ( -1.699 0.000 0.620) 1.809 12.763 ( 4.707 0.000 -0.279) 4.715 20.326 ( 0.962 0.000 2.274) 2.469 20.361 ( 3.185 0.000 -1.709) 3.615 21.214 ( -5.389 0.000 0.882) 5.461 21.216 ( -3.485 0.000 -2.505) 4.292 21.389 ( -2.476 0.000 0.965) 2.657 21.393 ( -5.151 0.000 0.372) 5.164 21.590 ( -6.573 0.000 -3.347) 7.376 21.863 ( -13.788 0.000 -2.293) 13.977 22.334 ( 11.621 0.000 -0.651) 11.639 22.739 ( 8.990 0.000 8.018) 12.046 22.830 ( -0.097 0.000 1.345) 1.348 22.879 ( 3.227 0.000 2.297) 3.961 24.034 ( 0.527 0.000 -6.440) 6.462 24.039 ( -0.312 0.000 2.251) 2.272 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -3.291 0.000 9.604) 10.152 0.669 ( -15.052 0.000 9.819) 17.971 0.761 ( -12.029 0.000 11.937) 16.946 1.321 ( -16.347 0.000 5.044) 17.108 1.385 ( -6.763 0.000 1.418) 6.910 1.411 ( 3.164 0.000 5.425) 6.280 1.548 ( 4.026 0.000 3.064) 5.059 1.629 ( -3.768 0.000 0.790) 3.850 1.752 ( -3.174 0.000 -5.019) 5.939 1.758 ( -2.828 0.000 0.117) 2.831 1.790 ( -2.084 0.000 0.620) 2.174 1.853 ( -0.252 0.000 -7.017) 7.022 2.005 ( -6.621 0.000 -1.690) 6.833 2.031 ( -3.184 0.000 -4.390) 5.423 2.046 ( -0.767 0.000 1.220) 1.441 2.137 ( 0.961 0.000 -2.790) 2.951 2.184 ( -1.674 0.000 -3.110) 3.532 2.211 ( 0.701 0.000 2.814) 2.900 2.225 ( -2.186 0.000 1.505) 2.654 2.272 ( 1.180 0.000 -4.438) 4.592 2.295 ( 2.426 0.000 0.716) 2.530 2.397 ( 5.499 0.000 -0.140) 5.501 2.416 ( 3.726 0.000 3.326) 4.994 2.485 ( -4.574 0.000 0.898) 4.661 2.524 ( 9.191 0.000 3.419) 9.806 2.610 ( -0.365 0.000 -5.130) 5.143 2.620 ( -2.630 0.000 1.422) 2.990 2.645 ( -1.480 0.000 0.159) 1.489 2.723 ( 0.936 0.000 1.982) 2.192 2.799 ( -1.562 0.000 -5.328) 5.552 2.839 ( -4.861 0.000 2.083) 5.289 2.869 ( 3.159 0.000 -0.043) 3.160 2.889 ( 4.430 0.000 2.050) 4.882 2.999 ( 0.648 0.000 -0.904) 1.112 3.090 ( -1.477 0.000 -8.232) 8.363 3.151 ( -1.743 0.000 -1.598) 2.365 3.153 ( -0.916 0.000 0.170) 0.932 3.308 ( 3.253 0.000 -5.691) 6.555 3.350 ( 6.755 0.000 -0.826) 6.805 3.577 ( 4.432 0.000 -2.557) 5.116 3.601 ( -2.321 0.000 6.545) 6.944 3.682 ( -0.589 0.000 -0.828) 1.016 3.725 ( 3.523 0.000 -2.254) 4.182 3.823 ( 1.377 0.000 -3.150) 3.437 4.027 ( 3.931 0.000 7.932) 8.852 4.038 ( 11.205 0.000 11.030) 15.723 4.334 ( 0.633 0.000 2.588) 2.664 4.343 ( 1.915 0.000 -0.318) 1.941 4.571 ( -6.533 0.000 -0.479) 6.550 4.697 ( 0.897 0.000 -2.321) 2.488 4.890 ( -1.644 0.000 3.981) 4.307 5.003 ( -0.380 0.000 -10.463) 10.470 5.332 ( 1.271 0.000 -1.505) 1.970 5.557 ( 5.074 0.000 -9.324) 10.615 5.816 ( 0.256 0.000 5.505) 5.511 6.283 ( -0.920 0.000 -2.879) 3.022 6.549 ( -1.864 0.000 8.869) 9.063 6.662 ( 9.843 0.000 1.029) 9.896 6.850 ( 0.255 0.000 -0.394) 0.470 7.046 ( 4.659 0.000 -2.440) 5.259 8.437 ( -1.902 0.000 -4.760) 5.126 8.499 ( -3.466 0.000 -0.720) 3.540 8.640 ( -7.914 0.000 -2.273) 8.234 8.889 ( -7.383 0.000 0.926) 7.441 9.060 ( -1.432 0.000 6.952) 7.098 9.067 ( -2.336 0.000 7.237) 7.604 9.182 ( -5.663 0.000 -0.399) 5.677 9.394 ( 1.126 0.000 2.491) 2.733 9.571 ( 2.367 0.000 -1.126) 2.621 9.678 ( 5.930 0.000 -5.043) 7.784 9.836 ( 4.442 0.000 4.783) 6.527 10.047 ( 6.298 0.000 -1.482) 6.470 10.147 ( 5.314 0.000 -2.742) 5.980 10.160 ( 0.622 0.000 -4.438) 4.482 12.600 ( -0.725 0.000 2.067) 2.191 12.827 ( 4.193 0.000 -1.779) 4.555 20.381 ( 1.877 0.000 3.504) 3.975 20.409 ( 4.081 0.000 -0.122) 4.083 21.107 ( -5.041 0.000 -3.200) 5.971 21.118 ( -6.869 0.000 0.574) 6.893 21.302 ( -5.567 0.000 -0.777) 5.621 21.347 ( -1.428 0.000 -3.385) 3.674 21.476 ( -5.943 0.000 -0.945) 6.018 21.587 ( -15.903 0.000 -0.125) 15.904 22.554 ( 12.320 0.000 1.881) 12.463 22.839 ( 1.681 0.000 0.207) 1.694 22.848 ( 0.272 0.000 1.582) 1.606 23.056 ( 9.037 0.000 1.620) 9.181 23.980 ( 0.853 0.000 -0.995) 1.310 24.063 ( 0.081 0.000 2.846) 2.847 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -4.351 0.000 18.387) 18.895 0.684 ( -4.447 0.000 19.274) 19.780 0.888 ( 5.933 0.000 14.842) 15.983 1.144 ( -17.444 0.000 20.109) 26.620 1.317 ( -1.937 0.000 -3.984) 4.430 1.457 ( -3.481 0.000 -6.349) 7.241 1.553 ( -4.091 0.000 1.677) 4.422 1.609 ( -2.433 0.000 0.827) 2.570 1.666 ( 0.839 0.000 -0.190) 0.860 1.686 ( -0.340 0.000 -5.427) 5.438 1.771 ( -1.971 0.000 2.464) 3.155 1.787 ( 0.396 0.000 -5.637) 5.651 1.896 ( -3.323 0.000 -0.810) 3.420 1.953 ( -0.945 0.000 -3.940) 4.052 2.063 ( 0.759 0.000 -0.329) 0.828 2.100 ( 0.325 0.000 -4.576) 4.587 2.135 ( -2.332 0.000 0.064) 2.333 2.159 ( -3.067 0.000 -3.368) 4.555 2.216 ( 0.040 0.000 -0.847) 0.848 2.261 ( 0.518 0.000 -6.078) 6.100 2.349 ( 2.107 0.000 1.710) 2.714 2.440 ( 2.700 0.000 -0.817) 2.820 2.469 ( 0.573 0.000 1.802) 1.892 2.503 ( 1.688 0.000 3.442) 3.833 2.551 ( 0.420 0.000 -0.517) 0.666 2.568 ( -5.077 0.000 0.186) 5.080 2.605 ( 0.769 0.000 -5.208) 5.265 2.666 ( 3.429 0.000 -2.246) 4.099 2.710 ( -4.762 0.000 2.257) 5.270 2.760 ( 1.798 0.000 -0.744) 1.946 2.803 ( -1.584 0.000 1.279) 2.036 2.934 ( 0.407 0.000 1.932) 1.975 2.967 ( 2.258 0.000 -2.072) 3.064 2.995 ( -0.910 0.000 -3.003) 3.138 3.007 ( -0.669 0.000 -2.905) 2.981 3.131 ( 3.579 0.000 -0.863) 3.681 3.136 ( -2.486 0.000 0.749) 2.597 3.312 ( 5.237 0.000 -2.539) 5.820 3.376 ( 1.476 0.000 -5.527) 5.720 3.585 ( 1.467 0.000 -3.870) 4.139 3.643 ( 0.246 0.000 4.633) 4.639 3.685 ( -0.594 0.000 -2.192) 2.271 3.758 ( 1.335 0.000 -0.197) 1.349 3.800 ( 2.609 0.000 -3.470) 4.342 4.242 ( 11.519 0.000 5.532) 12.779 4.272 ( 3.384 0.000 7.620) 8.337 4.346 ( -0.447 0.000 -0.338) 0.561 4.348 ( -0.770 0.000 0.956) 1.227 4.510 ( -0.777 0.000 -0.273) 0.823 4.735 ( -9.313 0.000 -8.574) 12.659 4.754 ( 4.846 0.000 5.095) 7.031 5.009 ( 0.886 0.000 5.127) 5.203 5.323 ( 0.290 0.000 -2.615) 2.631 5.426 ( -1.888 0.000 -13.845) 13.973 5.983 ( 6.525 0.000 14.331) 15.746 6.293 ( 3.617 0.000 0.992) 3.750 6.572 ( -6.888 0.000 4.210) 8.072 6.747 ( 2.524 0.000 -4.470) 5.134 6.896 ( 3.354 0.000 2.253) 4.040 7.061 ( 2.361 0.000 -6.220) 6.653 8.360 ( -1.250 0.000 -2.711) 2.985 8.455 ( -0.622 0.000 0.319) 0.699 8.491 ( -6.936 0.000 -1.760) 7.156 8.755 ( -8.078 0.000 -2.828) 8.558 9.049 ( -4.341 0.000 2.133) 4.837 9.052 ( -5.750 0.000 2.713) 6.358 9.199 ( 2.363 0.000 7.384) 7.753 9.465 ( 2.561 0.000 -0.896) 2.713 9.664 ( 3.235 0.000 6.455) 7.220 9.726 ( 6.591 0.000 -4.854) 8.186 9.972 ( 4.749 0.000 5.989) 7.643 10.101 ( 1.071 0.000 -0.521) 1.191 10.109 ( 1.112 0.000 -3.882) 4.039 10.203 ( 6.230 0.000 -4.487) 7.678 12.634 ( 0.763 0.000 4.369) 4.435 12.852 ( 2.172 0.000 -3.570) 4.179 20.452 ( 0.326 0.000 5.269) 5.279 20.497 ( 7.176 0.000 -0.520) 7.195 21.029 ( -2.413 0.000 -1.608) 2.900 21.032 ( -0.743 0.000 -0.317) 0.807 21.191 ( -6.003 0.000 -3.427) 6.912 21.250 ( -5.397 0.000 -4.385) 6.954 21.349 ( -9.361 0.000 2.319) 9.644 21.397 ( -7.635 0.000 1.423) 7.767 22.743 ( 7.960 0.000 2.095) 8.231 22.863 ( 1.233 0.000 0.136) 1.240 22.867 ( -0.185 0.000 1.378) 1.391 23.050 ( -3.398 0.000 -7.954) 8.649 24.103 ( -0.195 0.000 4.433) 4.437 24.120 ( 11.542 0.000 2.828) 11.884 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -5.940 -3.129 15.746) 17.118 0.922 ( 2.139 4.485 14.401) 15.235 1.088 ( 5.474 -7.433 -12.395) 15.455 1.201 ( -3.827 1.052 6.678) 7.768 1.273 ( 0.779 3.094 -5.881) 6.691 1.442 ( -0.639 0.120 -7.768) 7.795 1.498 ( -0.710 11.758 15.258) 19.276 1.571 ( -1.312 -0.252 5.039) 5.213 1.662 ( -0.239 -4.806 0.952) 4.905 1.695 ( 0.823 -1.805 -1.595) 2.546 1.717 ( 1.178 -0.223 3.248) 3.462 1.759 ( 0.998 1.657 -3.701) 4.176 1.845 ( 0.921 -2.249 -0.135) 2.434 1.881 ( -0.409 -2.207 -2.098) 3.072 2.005 ( 0.906 -1.998 -1.055) 2.434 2.054 ( -1.978 -0.021 -5.535) 5.878 2.114 ( -0.609 -2.945 -0.551) 3.058 2.120 ( -1.358 0.767 1.954) 2.500 2.145 ( -0.230 1.554 -2.571) 3.013 2.258 ( 1.184 1.867 -4.513) 5.025 2.315 ( 0.314 -0.968 2.950) 3.120 2.461 ( 0.537 1.652 -8.426) 8.604 2.491 ( -1.106 -0.408 1.977) 2.302 2.529 ( 2.112 0.449 0.128) 2.163 2.564 ( -2.566 1.018 0.684) 2.844 2.592 ( 1.922 -0.153 0.206) 1.939 2.634 ( -3.748 3.764 2.004) 5.678 2.667 ( -2.219 -0.339 -0.868) 2.406 2.726 ( 4.965 3.514 1.458) 6.255 2.750 ( 0.977 -1.002 -0.815) 1.619 2.822 ( 1.102 2.158 0.982) 2.615 2.878 ( 3.072 2.170 -3.913) 5.427 2.990 ( -1.096 -0.369 -0.848) 1.434 2.998 ( 1.558 -0.752 0.055) 1.731 3.059 ( 0.181 1.163 1.177) 1.664 3.095 ( -0.076 -2.272 -1.833) 2.920 3.150 ( 1.113 -0.238 2.583) 2.823 3.275 ( -3.618 -1.848 -8.749) 9.646 3.368 ( 2.444 -2.602 2.368) 4.284 3.432 ( -1.666 -3.962 -3.192) 5.353 3.529 ( -1.348 -4.126 3.268) 5.433 3.616 ( 0.229 -4.078 -4.570) 6.129 3.900 ( -1.647 7.274 1.308) 7.572 3.953 ( 2.207 7.151 -2.563) 7.910 4.284 ( -1.318 -1.755 3.783) 4.374 4.323 ( -2.777 -0.770 2.906) 4.092 4.364 ( -2.212 1.465 -0.706) 2.746 4.398 ( 5.037 -3.817 -0.868) 6.379 4.518 ( -3.502 -1.283 1.218) 3.924 4.552 ( 0.734 1.984 -2.635) 3.379 4.889 ( 4.101 -1.496 4.935) 6.588 4.962 ( -1.489 -6.605 0.077) 6.771 5.262 ( 0.068 0.938 1.256) 1.569 5.353 ( -1.763 1.890 -7.660) 8.084 6.391 ( 8.334 4.962 10.493) 14.289 6.409 ( 3.269 1.522 3.150) 4.789 6.448 ( -8.354 0.979 3.453) 9.092 6.657 ( -2.904 0.206 -7.601) 8.140 6.900 ( 0.862 -2.570 3.154) 4.159 7.003 ( -1.220 0.841 -7.421) 7.568 8.352 ( 2.478 -1.375 -0.209) 2.842 8.359 ( -2.479 -1.442 -0.904) 3.007 8.541 ( 5.038 1.283 1.876) 5.527 8.590 ( -4.876 -0.157 -2.954) 5.703 9.037 ( 1.598 1.602 1.002) 2.475 9.040 ( -2.804 2.241 0.772) 3.671 9.271 ( 1.349 -4.704 6.705) 8.301 9.407 ( 0.933 -4.673 -5.727) 7.450 9.676 ( -2.916 -0.986 4.809) 5.710 9.785 ( 4.347 0.099 -5.661) 7.138 9.988 ( -0.894 -2.603 3.516) 4.465 10.093 ( 0.186 -1.137 -5.758) 5.872 10.149 ( -2.124 1.388 4.376) 5.058 10.226 ( 1.407 -0.226 -2.750) 3.097 12.778 ( 0.808 5.834 5.743) 8.226 12.883 ( -0.187 4.472 -4.042) 6.031 20.465 ( -1.416 -1.019 3.733) 4.121 20.564 ( 3.385 -3.235 -5.339) 7.101 20.999 ( -3.055 -0.347 1.193) 3.297 21.025 ( -0.231 0.131 -0.901) 0.940 21.102 ( -2.856 -1.599 -0.449) 3.304 21.115 ( 5.461 -0.070 -1.819) 5.757 21.337 ( -2.844 3.287 3.081) 5.328 21.386 ( 2.801 2.568 -1.666) 4.149 22.841 ( 0.628 -1.012 2.812) 3.054 22.871 ( -0.466 -1.099 0.191) 1.208 22.893 ( -0.764 0.563 0.197) 0.969 22.898 ( -2.675 0.944 0.007) 2.837 24.112 ( -1.428 -1.649 4.500) 5.001 24.214 ( 3.464 -3.250 -4.912) 6.832 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.576 -3.142 11.058) 11.510 0.995 ( 6.745 -3.097 -6.098) 9.606 1.072 ( 0.879 2.691 -6.560) 7.144 1.186 ( -4.810 4.858 -7.087) 9.847 1.266 ( 9.331 -4.577 9.577) 14.133 1.520 ( 7.403 0.846 0.128) 7.452 1.583 ( 0.513 1.707 0.930) 2.011 1.612 ( -0.910 3.990 4.220) 5.878 1.645 ( -0.756 -4.395 -1.237) 4.628 1.680 ( -0.364 0.071 -1.831) 1.868 1.735 ( 1.351 3.108 -1.574) 3.737 1.765 ( 3.030 -1.949 -2.603) 4.444 1.857 ( 0.900 -3.790 0.878) 3.993 1.901 ( 3.870 -0.565 -0.971) 4.030 1.994 ( 0.331 -2.398 -0.983) 2.612 2.027 ( -0.190 -0.022 1.783) 1.793 2.094 ( 0.878 -2.496 0.502) 2.693 2.165 ( 3.130 -0.902 0.510) 3.298 2.190 ( 1.827 3.790 7.843) 8.901 2.234 ( 3.152 3.643 -4.906) 6.875 2.313 ( -2.482 2.210 0.674) 3.391 2.398 ( -0.300 -1.237 -1.259) 1.790 2.476 ( -2.845 0.705 0.882) 3.061 2.525 ( -4.191 -1.452 0.847) 4.516 2.534 ( -0.675 -0.819 -3.809) 3.954 2.584 ( -0.073 2.541 2.012) 3.242 2.623 ( 0.356 1.887 -1.068) 2.197 2.716 ( 4.009 -0.163 2.718) 4.846 2.756 ( 1.737 0.424 0.154) 1.795 2.786 ( 2.026 -0.822 -1.311) 2.550 2.826 ( 0.223 2.224 -2.005) 3.003 2.866 ( 1.731 1.286 -6.497) 6.846 2.989 ( -4.471 -0.572 -2.315) 5.067 3.004 ( 2.064 0.940 0.915) 2.446 3.037 ( 2.984 1.223 1.799) 3.693 3.103 ( -2.008 -1.963 -4.137) 5.000 3.175 ( 2.409 1.670 0.326) 2.950 3.238 ( 1.386 -1.188 5.925) 6.200 3.358 ( -2.242 0.605 -3.863) 4.507 3.427 ( 0.253 -5.112 3.264) 6.070 3.551 ( -0.368 -3.904 1.821) 4.323 3.581 ( 0.190 -3.971 0.170) 3.979 3.827 ( -7.321 7.042 1.269) 10.237 3.950 ( -1.054 6.485 -2.539) 7.044 4.201 ( -8.481 -2.733 2.252) 9.190 4.283 ( -5.885 -1.644 3.042) 6.825 4.368 ( -0.168 0.632 0.146) 0.670 4.445 ( 1.326 -1.651 -3.205) 3.841 4.494 ( -0.332 1.586 -0.099) 1.623 4.575 ( 2.808 -2.272 4.132) 5.488 4.856 ( -5.290 -4.104 -5.261) 8.515 4.991 ( 2.355 -3.730 1.126) 4.552 5.271 ( -1.066 1.220 -2.202) 2.734 5.297 ( -0.363 1.831 5.019) 5.355 6.322 ( -5.872 1.914 -3.667) 7.183 6.399 ( -6.816 6.868 -6.128) 11.453 6.590 ( 2.664 -0.203 6.148) 6.703 6.599 ( 4.232 0.498 2.426) 4.904 6.901 ( -2.799 -1.502 -2.846) 4.265 6.951 ( -0.255 -1.314 3.384) 3.639 8.324 ( 0.166 -0.097 -0.117) 0.225 8.448 ( 7.131 -2.734 -0.111) 7.639 8.502 ( -1.156 3.034 -1.496) 3.575 8.687 ( 8.800 -1.192 1.831) 9.068 9.038 ( 1.291 0.136 1.131) 1.722 9.112 ( 5.944 2.290 0.722) 6.411 9.327 ( -0.702 -4.064 -6.003) 7.283 9.357 ( 0.791 -5.600 2.333) 6.118 9.653 ( -4.914 1.773 3.839) 6.484 9.785 ( 2.537 -2.100 -6.320) 7.127 9.988 ( -4.662 -1.251 0.918) 4.913 10.014 ( -3.310 -3.698 0.054) 4.964 10.118 ( -7.026 1.639 4.389) 8.444 10.170 ( -3.367 1.557 -2.819) 4.659 12.798 ( -3.181 4.918 -4.613) 7.456 12.822 ( -2.365 4.562 3.712) 6.339 20.444 ( -2.788 -0.057 0.952) 2.947 20.574 ( 0.946 -1.368 -2.755) 3.218 20.993 ( 3.409 -0.086 1.205) 3.617 21.043 ( 1.312 -0.023 0.109) 1.317 21.087 ( 3.534 -0.500 0.242) 3.577 21.261 ( 6.883 2.372 0.316) 7.287 21.356 ( 6.644 -1.585 -0.356) 6.840 21.452 ( 6.526 1.506 -1.350) 6.832 22.754 ( -9.038 -0.658 0.575) 9.080 22.853 ( -2.597 -1.157 1.458) 3.196 22.885 ( -0.692 0.705 0.018) 0.988 22.937 ( 1.208 0.825 2.398) 2.809 24.097 ( -4.970 -1.022 2.000) 5.454 24.174 ( -0.734 -3.378 -4.746) 5.872 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.572 -2.371 -6.808) 8.046 0.989 ( 0.919 4.304 -8.189) 9.296 1.072 ( 8.525 10.551 -10.068) 16.892 1.170 ( 7.340 -3.193 5.517) 9.721 1.439 ( -0.776 1.222 0.697) 1.607 1.534 ( 0.204 -2.822 -4.004) 4.902 1.571 ( -1.936 0.512 3.280) 3.843 1.634 ( 4.615 -0.485 -0.527) 4.670 1.665 ( 4.785 -1.895 0.266) 5.154 1.725 ( 2.783 -2.290 2.189) 4.217 1.762 ( 1.435 4.660 1.531) 5.111 1.800 ( 3.587 -1.895 -1.131) 4.211 1.883 ( 4.238 -3.868 -2.732) 6.355 1.969 ( 3.869 -0.861 2.164) 4.516 2.011 ( -1.823 -3.490 4.177) 5.740 2.063 ( 2.172 -0.758 1.902) 2.985 2.135 ( 0.080 -2.034 2.887) 3.532 2.191 ( 0.722 1.648 0.136) 1.804 2.264 ( 4.625 3.129 -1.544) 5.794 2.277 ( 1.151 -0.125 -0.205) 1.176 2.347 ( 4.809 -2.108 0.663) 5.292 2.398 ( -3.234 4.772 -3.572) 6.781 2.427 ( -0.937 0.370 7.866) 7.930 2.474 ( -2.949 -2.520 -3.447) 5.190 2.503 ( -0.400 -1.941 3.027) 3.617 2.558 ( -2.855 -0.590 -2.003) 3.537 2.606 ( -1.592 0.470 -1.297) 2.107 2.701 ( -3.780 -1.827 -4.094) 5.864 2.770 ( 3.344 4.460 -4.091) 6.914 2.826 ( 2.214 0.917 0.364) 2.424 2.833 ( 2.108 -1.190 -0.827) 2.558 2.838 ( -0.430 0.092 -0.967) 1.062 2.959 ( 3.359 0.237 1.636) 3.743 3.042 ( -1.396 4.627 2.721) 5.547 3.048 ( 1.483 1.149 -1.415) 2.349 3.128 ( 2.888 2.112 2.097) 4.148 3.188 ( -0.278 1.477 -1.502) 2.124 3.273 ( -0.670 2.585 -1.911) 3.283 3.310 ( -1.415 0.431 1.842) 2.362 3.451 ( -2.319 -2.279 5.111) 6.058 3.574 ( 1.400 -5.888 1.982) 6.368 3.625 ( 1.625 -5.080 2.747) 6.000 3.727 ( -7.167 4.550 2.978) 8.997 3.849 ( -5.757 5.432 -3.943) 8.842 4.097 ( -6.054 -2.818 -0.477) 6.695 4.165 ( -11.307 -3.126 -1.681) 11.851 4.319 ( -1.557 -1.811 -2.768) 3.656 4.394 ( -1.420 -1.254 -3.822) 4.266 4.528 ( 3.270 -0.397 2.424) 4.090 4.714 ( 1.304 -2.450 7.974) 8.443 4.738 ( -1.399 2.066 -0.381) 2.524 5.000 ( 0.569 -2.486 -3.470) 4.306 5.258 ( -0.157 -1.020 0.436) 1.120 5.356 ( -1.589 0.166 7.976) 8.135 6.094 ( -7.475 8.005 -10.435) 15.127 6.330 ( -0.688 6.910 1.508) 7.106 6.585 ( -7.006 -3.228 0.702) 7.746 6.693 ( 3.347 -2.183 -1.506) 4.271 6.849 ( -0.350 -0.440 -0.459) 0.725 6.974 ( -1.179 -1.528 2.976) 3.547 8.358 ( 2.287 1.105 2.081) 3.284 8.480 ( 1.593 0.651 -0.132) 1.726 8.601 ( 8.096 0.098 1.085) 8.169 8.843 ( 8.282 -3.459 0.293) 8.980 9.084 ( 2.578 -3.028 -0.360) 3.993 9.221 ( 6.192 1.635 -0.767) 6.450 9.256 ( 1.038 0.862 -3.825) 4.056 9.380 ( 0.013 -4.605 0.307) 4.615 9.611 ( -4.788 3.322 3.001) 6.555 9.690 ( -4.294 1.409 -7.557) 8.805 9.874 ( -6.174 -4.234 -2.907) 8.031 9.971 ( -5.942 -4.631 3.993) 8.526 10.038 ( -6.630 2.554 2.995) 7.710 10.130 ( -0.642 1.561 1.877) 2.524 12.698 ( -2.268 3.309 -4.217) 5.820 12.798 ( -4.124 1.778 1.948) 4.895 20.413 ( -1.779 1.996 -0.124) 2.676 20.522 ( -3.389 3.247 -1.786) 5.022 21.067 ( 3.950 -0.114 0.961) 4.067 21.148 ( 8.383 -2.481 1.945) 8.956 21.173 ( 6.315 1.860 0.914) 6.646 21.315 ( 0.593 2.542 2.283) 3.468 21.496 ( 7.730 -2.787 -3.089) 8.779 21.599 ( 14.524 -0.989 -0.676) 14.573 22.591 ( -10.812 0.244 -1.142) 10.875 22.813 ( -3.903 -3.088 0.939) 5.064 22.869 ( -0.903 0.669 -0.172) 1.137 22.964 ( -1.853 -0.387 2.687) 3.287 24.015 ( -4.324 0.376 -1.131) 4.486 24.113 ( -1.856 -2.134 -2.215) 3.592 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.712 2.944 -11.611) 12.541 1.050 ( 10.248 0.950 -5.578) 11.706 1.138 ( 7.868 7.544 -8.502) 13.823 1.246 ( -1.689 -2.455 1.481) 3.327 1.414 ( -0.289 -0.286 -4.622) 4.640 1.497 ( 2.309 2.872 -0.750) 3.760 1.606 ( 3.636 -3.034 2.478) 5.345 1.690 ( 0.121 0.775 -0.039) 0.786 1.769 ( 2.153 -1.747 0.651) 2.848 1.796 ( 2.677 -2.651 2.544) 4.546 1.811 ( 1.351 0.729 2.271) 2.741 1.841 ( 4.602 2.270 0.356) 5.144 1.939 ( 2.973 -3.765 1.811) 5.128 2.011 ( -4.009 -1.709 5.268) 6.837 2.056 ( 0.937 -2.021 2.125) 3.079 2.081 ( -1.432 1.104 1.822) 2.567 2.157 ( 1.051 -0.782 3.774) 3.995 2.241 ( -1.518 -0.102 -0.445) 1.585 2.254 ( 2.133 -1.171 0.390) 2.464 2.304 ( -0.386 0.372 -2.532) 2.588 2.347 ( -5.775 2.238 -4.324) 7.554 2.354 ( 0.677 -0.607 -3.709) 3.819 2.385 ( 0.906 1.399 -1.793) 2.448 2.462 ( 3.603 -0.554 3.461) 5.026 2.509 ( 1.159 -1.149 -0.364) 1.672 2.547 ( 0.499 -1.602 2.218) 2.781 2.588 ( -0.716 -0.429 -1.155) 1.425 2.674 ( 3.263 -3.296 0.221) 4.643 2.755 ( 0.793 1.863 -4.848) 5.253 2.809 ( -0.310 1.765 0.570) 1.880 2.873 ( 2.104 0.379 0.477) 2.190 2.900 ( 4.255 1.638 0.772) 4.624 2.958 ( -4.187 3.571 0.062) 5.503 3.037 ( 1.418 4.451 -1.725) 4.980 3.101 ( 0.494 -0.451 3.191) 3.261 3.167 ( -0.623 0.593 -2.530) 2.672 3.220 ( 5.564 4.386 2.147) 7.403 3.226 ( -0.950 3.625 -0.559) 3.789 3.282 ( -3.193 0.741 -1.328) 3.536 3.470 ( -2.741 -0.736 5.693) 6.361 3.613 ( -0.353 -5.085 2.534) 5.692 3.643 ( -4.466 -2.129 2.104) 5.377 3.672 ( -2.531 1.076 2.160) 3.497 3.747 ( -1.398 2.017 -2.451) 3.468 3.913 ( -8.975 -3.449 -7.460) 12.169 4.011 ( -3.539 -2.505 -2.155) 4.841 4.279 ( -1.730 -1.470 -0.907) 2.444 4.332 ( -2.410 -0.490 -2.095) 3.230 4.640 ( 6.286 -3.001 3.872) 7.970 4.700 ( -0.935 3.978 1.946) 4.526 4.838 ( -2.659 -3.236 9.109) 10.026 4.963 ( 1.169 -0.537 -4.145) 4.340 5.258 ( -0.515 -1.797 0.602) 1.964 5.387 ( -4.428 -2.431 5.378) 7.379 5.942 ( -0.278 6.645 -4.884) 8.251 6.338 ( -4.738 4.386 1.730) 6.684 6.442 ( -3.956 -3.123 -3.023) 5.877 6.664 ( -0.647 -0.152 -4.953) 4.998 6.882 ( 2.399 1.831 1.230) 3.259 6.978 ( -1.353 -0.567 1.428) 2.047 8.424 ( 1.753 1.567 3.312) 4.061 8.530 ( 3.033 -0.438 1.895) 3.603 8.726 ( 5.302 -0.221 1.301) 5.464 8.946 ( 5.039 -3.689 -1.129) 6.346 9.095 ( 1.193 -3.167 -2.605) 4.271 9.247 ( 0.529 5.331 -4.812) 7.201 9.281 ( 2.931 -1.816 -0.284) 3.460 9.413 ( 4.517 -0.038 0.762) 4.581 9.551 ( -4.341 2.012 -2.776) 5.532 9.573 ( -3.248 2.208 2.608) 4.714 9.769 ( -3.503 -3.109 -1.620) 4.956 9.882 ( -7.870 -1.918 1.814) 8.301 10.003 ( -2.969 -1.491 3.687) 4.963 10.147 ( -0.388 0.144 1.314) 1.378 12.644 ( -0.027 1.335 -2.217) 2.588 12.743 ( -3.887 -0.219 0.396) 3.913 20.381 ( -1.730 3.395 -0.471) 3.840 20.447 ( -2.582 4.487 -2.479) 5.740 21.157 ( 4.029 -0.303 2.939) 4.996 21.254 ( 2.055 -3.652 4.170) 5.912 21.321 ( 8.484 2.550 -1.311) 8.955 21.345 ( 1.246 1.844 0.679) 2.327 21.583 ( 6.691 -1.558 0.306) 6.877 21.847 ( 15.029 -0.280 0.831) 15.054 22.379 ( -11.383 1.213 -4.187) 12.189 22.735 ( -6.656 -6.022 -0.965) 9.028 22.854 ( -0.653 0.541 -0.196) 0.871 22.925 ( -3.431 -0.306 -1.001) 3.587 23.970 ( -0.879 1.238 1.077) 1.862 24.074 ( -0.819 -1.253 -0.927) 1.760 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 8.251 0.461 -3.275) 8.889 1.064 ( -3.662 0.638 -8.145) 8.953 1.181 ( 9.562 -2.100 -1.659) 9.929 1.252 ( 0.748 -0.691 0.229) 1.044 1.361 ( 3.113 0.384 -6.049) 6.814 1.493 ( -5.915 1.986 -1.435) 6.403 1.663 ( 0.317 3.345 -0.742) 3.441 1.686 ( -2.464 -2.310 -0.195) 3.383 1.730 ( 0.057 -3.598 0.300) 3.611 1.806 ( -1.388 -1.667 -2.329) 3.183 1.892 ( 3.832 -1.382 2.179) 4.619 1.906 ( 1.215 4.331 3.876) 5.938 2.008 ( 0.323 -2.236 2.740) 3.551 2.039 ( 0.738 -0.922 5.455) 5.581 2.063 ( -2.552 1.109 5.380) 6.057 2.111 ( 1.470 0.140 -0.118) 1.482 2.152 ( -1.150 -1.475 -2.749) 3.325 2.190 ( -2.446 -0.115 -2.041) 3.188 2.256 ( -0.788 0.027 2.541) 2.661 2.268 ( 1.604 -3.593 -0.499) 3.966 2.314 ( -0.697 0.263 0.893) 1.163 2.357 ( 3.132 0.215 -0.514) 3.181 2.435 ( 1.348 2.157 3.966) 4.712 2.543 ( -1.812 0.501 0.254) 1.897 2.545 ( 1.162 3.495 1.417) 3.946 2.567 ( 10.698 0.684 -6.174) 12.371 2.627 ( 2.404 -5.818 1.057) 6.383 2.665 ( -0.293 -1.207 -3.123) 3.360 2.734 ( -0.149 -0.363 -0.356) 0.530 2.790 ( -3.734 4.721 -0.200) 6.022 2.881 ( -3.821 7.178 -1.100) 8.206 2.910 ( 1.497 -0.246 1.793) 2.349 2.964 ( 1.889 3.785 -1.741) 4.575 3.047 ( 1.128 0.999 -2.751) 3.136 3.060 ( -4.012 3.958 -1.501) 5.832 3.105 ( -4.345 -1.225 -3.343) 5.617 3.204 ( 2.371 0.501 4.591) 5.191 3.272 ( 1.532 -1.267 3.061) 3.650 3.361 ( 5.765 4.543 1.240) 7.444 3.482 ( -0.390 -1.350 2.579) 2.937 3.565 ( -6.311 -1.568 -3.848) 7.556 3.598 ( -2.821 0.852 -0.505) 2.990 3.644 ( -2.695 -2.606 4.123) 5.573 3.709 ( 0.301 -1.109 -2.891) 3.111 3.806 ( -0.317 -0.633 0.758) 1.037 3.948 ( -0.742 -1.690 -3.996) 4.402 4.244 ( -1.169 -0.037 -0.512) 1.276 4.272 ( -1.675 0.608 -2.033) 2.703 4.721 ( -0.094 2.814 3.919) 4.826 4.821 ( 9.269 -5.615 4.370) 11.685 4.834 ( -3.811 -1.900 2.319) 4.849 4.944 ( -2.859 -3.135 0.389) 4.261 5.260 ( -0.201 -1.007 1.127) 1.525 5.334 ( -4.596 -1.789 0.224) 4.937 5.974 ( 6.853 2.807 -0.289) 7.411 6.177 ( -8.863 -4.140 -4.115) 10.612 6.450 ( 1.096 4.523 2.588) 5.324 6.599 ( -0.540 1.207 -5.155) 5.322 6.928 ( 1.681 2.994 0.892) 3.547 6.962 ( -1.511 1.197 0.256) 1.945 8.481 ( 0.321 1.421 4.023) 4.279 8.591 ( 2.773 -2.121 -1.100) 3.661 8.806 ( 1.493 1.173 4.470) 4.856 8.999 ( 1.743 -2.851 1.158) 3.536 9.051 ( -1.681 0.125 -4.829) 5.115 9.183 ( 0.392 4.355 -6.555) 7.880 9.341 ( 3.179 -3.038 1.748) 4.732 9.462 ( -2.968 -3.340 -1.419) 4.688 9.518 ( 3.111 3.327 3.538) 5.768 9.579 ( 1.197 1.449 0.703) 2.007 9.714 ( -3.090 -2.064 0.896) 3.823 9.785 ( -3.258 -0.546 -1.695) 3.713 10.018 ( -0.184 -1.972 4.167) 4.614 10.133 ( -1.365 -0.698 -1.156) 1.920 12.644 ( 1.708 0.135 -0.626) 1.824 12.688 ( -2.860 -0.486 -0.419) 2.931 20.353 ( -1.080 3.862 0.007) 4.010 20.394 ( -0.433 3.851 -2.600) 4.667 21.241 ( 0.864 0.410 4.374) 4.477 21.313 ( 0.086 -3.460 3.735) 5.093 21.355 ( -0.404 -0.414 0.435) 0.724 21.395 ( 4.758 1.529 -4.912) 7.007 21.742 ( 7.715 1.522 6.180) 10.001 22.056 ( 0.997 6.865 0.461) 6.952 22.189 ( 2.685 -4.880 -3.429) 6.541 22.549 ( -11.290 -7.365 -6.106) 14.798 22.844 ( -0.727 0.550 0.221) 0.938 22.870 ( -0.828 0.817 -1.741) 2.094 23.993 ( 0.086 0.870 3.090) 3.211 24.063 ( 0.709 -0.924 -1.134) 1.625 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -8.653 3.053 -4.431) 10.190 0.946 ( 2.379 -1.487 0.407) 2.835 1.205 ( -6.088 -4.837 -2.715) 8.236 1.265 ( -7.113 0.962 0.086) 7.178 1.319 ( 3.482 -2.089 -4.001) 5.701 1.462 ( 11.377 -1.031 0.574) 11.438 1.586 ( -9.938 2.902 4.077) 11.127 1.701 ( -0.488 -1.448 -0.416) 1.584 1.736 ( 0.547 0.489 3.705) 3.777 1.774 ( 0.444 -3.171 -1.841) 3.694 1.937 ( 0.443 -0.965 -2.078) 2.334 1.965 ( 3.226 0.968 -1.516) 3.693 2.026 ( -3.609 -0.490 1.877) 4.097 2.049 ( 0.071 -2.566 3.940) 4.702 2.111 ( 1.163 -0.121 0.804) 1.419 2.120 ( 0.947 -0.291 -1.515) 1.811 2.130 ( 0.445 0.490 -0.668) 0.940 2.180 ( 4.748 0.014 -0.912) 4.835 2.277 ( -1.361 0.788 2.885) 3.286 2.290 ( -2.689 0.204 -1.223) 2.961 2.324 ( 0.577 -1.867 1.395) 2.401 2.355 ( 1.019 -0.614 -2.769) 3.014 2.460 ( -11.443 2.572 3.059) 12.121 2.521 ( -1.184 2.421 -2.011) 3.363 2.524 ( -1.299 1.844 0.776) 2.385 2.568 ( -1.083 1.445 1.693) 2.475 2.620 ( 1.071 1.493 -5.749) 6.036 2.678 ( -2.588 -1.264 -2.004) 3.508 2.705 ( -2.435 -0.047 2.524) 3.508 2.779 ( 8.014 3.610 0.187) 8.791 2.866 ( 0.853 4.931 0.933) 5.091 2.923 ( 1.236 4.196 -1.043) 4.497 2.957 ( -2.453 -0.311 2.135) 3.266 3.011 ( 2.895 3.424 -1.432) 4.707 3.072 ( 2.133 0.670 -2.046) 3.030 3.074 ( 2.472 -1.631 -0.015) 2.961 3.296 ( 0.622 -2.327 1.862) 3.045 3.302 ( -0.291 -2.260 -1.332) 2.640 3.414 ( -3.515 1.566 -4.431) 5.869 3.458 ( 5.344 0.521 2.536) 5.938 3.513 ( -2.778 0.092 -0.351) 2.801 3.561 ( 3.400 -0.460 1.878) 3.911 3.646 ( -1.578 -1.525 2.403) 3.254 3.713 ( 1.941 -0.651 -1.236) 2.391 3.830 ( -1.619 -0.554 3.770) 4.140 3.897 ( 1.222 0.550 -3.786) 4.016 4.244 ( 1.353 0.427 0.476) 1.497 4.252 ( 1.396 0.906 -1.133) 2.013 4.772 ( 0.602 1.555 4.598) 4.891 4.791 ( -3.614 -0.873 0.760) 3.795 4.849 ( -6.756 -3.035 -2.161) 7.715 5.008 ( 8.930 -7.995 -0.275) 11.989 5.265 ( -2.083 -0.634 1.331) 2.552 5.308 ( 3.197 -0.770 1.391) 3.571 6.000 ( -6.887 -0.983 -3.366) 7.728 6.131 ( 10.878 -2.717 0.214) 11.214 6.500 ( 0.378 3.232 3.955) 5.121 6.531 ( -0.902 3.087 -4.807) 5.784 6.931 ( -1.967 2.557 0.366) 3.247 6.966 ( 1.882 3.041 0.154) 3.580 8.520 ( -1.196 0.194 4.144) 4.318 8.581 ( 0.436 -1.338 -4.974) 5.169 8.881 ( -1.453 -0.023 7.646) 7.783 8.937 ( -2.756 -0.203 -5.856) 6.476 9.053 ( -0.805 1.949 5.113) 5.530 9.106 ( -1.329 3.186 -6.143) 7.047 9.356 ( -5.072 -4.062 0.820) 6.550 9.456 ( 5.663 -4.461 -0.691) 7.242 9.561 ( -1.592 3.302 -0.668) 3.726 9.611 ( 3.268 1.567 -1.735) 4.018 9.678 ( -3.472 -0.316 3.547) 4.974 9.793 ( 7.149 -1.637 -2.007) 7.604 10.082 ( 2.136 -1.537 3.721) 4.557 10.090 ( -0.797 -1.431 -2.530) 3.014 12.640 ( -2.106 0.073 -0.238) 2.120 12.686 ( 3.436 -0.652 -0.273) 3.508 20.353 ( 0.392 4.184 1.080) 4.339 20.376 ( 1.371 2.990 -2.118) 3.912 21.270 ( -3.909 1.028 5.257) 6.632 21.321 ( -2.575 -1.467 -1.259) 3.220 21.348 ( 0.447 0.549 1.075) 1.287 21.394 ( 1.133 -2.606 -3.850) 4.785 21.811 ( -11.831 3.174 2.132) 12.434 22.015 ( 8.467 7.695 -0.132) 11.442 22.269 ( -10.711 -8.391 -8.164) 15.868 22.403 ( 11.640 -5.248 6.307) 14.241 22.836 ( -0.721 0.796 0.886) 1.392 22.859 ( 0.895 0.548 -0.867) 1.361 24.019 ( -0.773 0.305 2.201) 2.353 24.067 ( 2.209 -0.347 -2.663) 3.477 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -7.752 5.404 -0.772) 9.481 0.896 ( -12.169 3.542 4.349) 13.400 1.016 ( -8.504 3.140 2.411) 9.380 1.302 ( 1.849 -2.380 4.851) 5.711 1.338 ( 4.271 -2.701 -4.964) 7.083 1.468 ( -6.189 3.212 2.079) 7.276 1.618 ( 1.169 -3.040 0.413) 3.283 1.698 ( -1.206 -2.042 1.430) 2.769 1.735 ( -2.678 -2.848 2.159) 4.466 1.781 ( -0.494 -2.479 0.923) 2.691 1.853 ( -12.392 7.330 -0.395) 14.403 1.894 ( -1.135 -3.327 -4.619) 5.805 2.005 ( -1.110 -3.320 -1.754) 3.916 2.086 ( 0.398 -1.312 0.427) 1.437 2.097 ( -2.785 2.151 0.635) 3.575 2.122 ( 1.476 0.608 -3.010) 3.408 2.189 ( 3.269 0.651 1.032) 3.489 2.231 ( -1.101 0.724 -1.611) 2.081 2.249 ( -1.365 0.169 1.972) 2.404 2.279 ( 4.791 -0.380 0.031) 4.806 2.283 ( 1.308 2.224 -0.756) 2.689 2.318 ( -2.207 0.918 -0.157) 2.395 2.355 ( -2.373 0.977 -1.003) 2.755 2.476 ( -1.143 2.578 1.928) 3.416 2.546 ( 2.581 -1.844 -1.482) 3.501 2.581 ( -4.032 -3.649 -1.101) 5.548 2.599 ( 2.109 0.933 -1.381) 2.688 2.656 ( 1.554 -0.715 1.325) 2.163 2.679 ( -2.716 0.777 1.950) 3.433 2.851 ( -0.184 2.037 -2.326) 3.097 2.889 ( -2.246 0.097 -1.537) 2.724 2.907 ( -0.465 2.555 0.811) 2.720 2.929 ( 0.960 2.792 0.631) 3.019 3.047 ( 1.443 -0.112 -0.128) 1.453 3.097 ( 1.344 -1.230 1.639) 2.451 3.189 ( 7.119 1.693 0.766) 7.357 3.217 ( -3.644 -0.091 -3.912) 5.347 3.279 ( -4.546 3.434 -4.328) 7.155 3.314 ( 3.960 1.095 -3.866) 5.642 3.515 ( 1.037 -0.450 1.009) 1.515 3.613 ( 1.931 -5.825 4.849) 7.821 3.642 ( 3.995 -2.747 0.441) 4.868 3.663 ( 2.401 2.807 1.615) 4.031 3.741 ( 4.314 -0.783 2.776) 5.189 3.819 ( 0.874 1.039 -1.894) 2.331 3.941 ( 3.326 0.763 2.985) 4.534 4.280 ( 2.639 -0.082 -0.574) 2.702 4.292 ( 2.468 0.384 1.984) 3.190 4.685 ( -8.833 -2.102 0.005) 9.079 4.760 ( -0.074 1.831 -3.905) 4.314 4.838 ( 1.141 0.513 4.692) 4.856 5.053 ( 2.044 -6.507 -7.407) 10.069 5.255 ( -0.715 -2.194 1.139) 2.573 5.441 ( 8.576 -2.808 1.718) 9.186 5.891 ( -3.023 4.034 -0.624) 5.080 6.310 ( 9.376 -6.802 1.336) 11.660 6.466 ( -0.823 4.923 -4.036) 6.419 6.558 ( 0.753 2.478 5.174) 5.786 6.900 ( -1.734 3.091 -0.522) 3.583 7.002 ( 2.711 1.394 -0.544) 3.096 8.508 ( -2.007 -0.572 -3.446) 4.028 8.530 ( -2.465 -1.104 0.845) 2.830 8.791 ( -6.066 0.119 -4.778) 7.722 8.923 ( -5.527 -3.779 4.286) 7.950 9.034 ( -0.760 3.699 -0.394) 3.797 9.105 ( -0.832 4.865 6.937) 8.514 9.274 ( -4.771 -1.781 0.159) 5.095 9.474 ( -2.800 1.427 -3.411) 4.638 9.552 ( 2.705 -0.683 -2.504) 3.749 9.625 ( 4.828 0.496 -1.687) 5.138 9.717 ( 2.172 -0.309 2.886) 3.625 9.919 ( 9.367 -2.393 -1.404) 9.769 10.065 ( 1.550 -1.969 -2.303) 3.404 10.153 ( 2.613 -1.219 1.168) 3.111 12.614 ( -1.090 0.976 0.573) 1.571 12.748 ( 4.375 -1.475 -0.242) 4.623 20.383 ( 2.142 3.474 -0.437) 4.105 20.400 ( 2.775 4.071 1.208) 5.073 21.217 ( -6.501 -1.591 0.713) 6.731 21.250 ( -5.209 3.495 0.222) 6.277 21.344 ( -2.249 -2.746 -3.664) 5.101 21.364 ( 0.077 -0.661 0.739) 0.995 21.612 ( -10.427 1.836 -1.704) 10.723 21.893 ( -16.612 -0.242 -3.551) 16.989 22.309 ( 13.840 -0.543 1.497) 13.931 22.653 ( 8.882 -6.709 7.254) 13.286 22.843 ( 0.105 0.806 1.028) 1.310 22.881 ( 1.790 -0.115 1.641) 2.431 24.012 ( -0.544 0.103 -1.190) 1.312 24.074 ( 2.037 1.011 -2.240) 3.192 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.636 7.512 10.629) 13.118 0.787 ( -10.376 8.130 9.895) 16.482 0.895 ( -12.114 12.601 6.310) 18.583 1.339 ( -1.732 -1.135 -7.039) 7.338 1.364 ( -2.243 -0.182 2.677) 3.497 1.417 ( 0.294 -5.841 5.938) 8.335 1.519 ( -10.228 4.470 6.332) 12.833 1.645 ( -3.172 -1.193 1.311) 3.633 1.724 ( -2.191 -1.980 -3.795) 4.809 1.741 ( -3.901 -2.554 2.095) 5.112 1.779 ( -1.274 -0.947 0.458) 1.652 1.820 ( -2.260 -3.278 -3.810) 5.511 1.910 ( -3.377 -0.440 -5.646) 6.593 2.030 ( -6.207 0.614 -0.992) 6.315 2.080 ( 0.057 -0.672 -2.716) 2.798 2.098 ( 2.264 -3.127 -2.774) 4.754 2.189 ( 0.240 0.330 -0.794) 0.892 2.201 ( -3.810 0.738 0.617) 3.930 2.261 ( -0.586 0.226 -0.594) 0.864 2.277 ( 0.548 -0.370 -1.946) 2.055 2.309 ( 0.510 1.733 1.298) 2.225 2.400 ( 2.045 -0.360 1.044) 2.324 2.406 ( 2.101 0.673 1.372) 2.598 2.469 ( 6.493 0.410 1.608) 6.702 2.564 ( 1.004 -3.353 -1.969) 4.016 2.577 ( 1.839 1.883 1.311) 2.940 2.609 ( -0.198 -2.468 1.797) 3.060 2.633 ( -0.258 0.826 -4.811) 4.888 2.705 ( 1.520 1.561 1.732) 2.783 2.804 ( -3.318 -1.700 1.187) 3.912 2.828 ( -2.041 1.537 -2.600) 3.645 2.867 ( -0.787 0.835 -0.954) 1.492 2.962 ( 0.907 3.312 0.362) 3.453 3.068 ( 0.054 2.181 -0.423) 2.223 3.116 ( -1.316 -0.061 -1.463) 1.969 3.146 ( -3.880 3.074 -1.798) 5.267 3.171 ( 1.973 1.912 -1.216) 3.005 3.278 ( 3.346 -1.303 -2.404) 4.321 3.362 ( 5.221 0.108 -3.535) 6.306 3.517 ( -2.149 -2.336 1.084) 3.354 3.620 ( -1.936 -5.549 -2.688) 6.463 3.645 ( 0.919 -4.936 -0.672) 5.066 3.778 ( 7.162 5.552 3.389) 9.675 3.823 ( 5.393 3.954 -5.105) 8.413 3.969 ( 8.234 -3.756 11.134) 14.348 4.057 ( 6.555 0.575 5.006) 8.268 4.304 ( 0.528 -1.051 -0.272) 1.207 4.352 ( 2.162 -0.160 1.749) 2.786 4.565 ( -5.135 0.020 -0.749) 5.190 4.732 ( 0.776 3.303 -1.821) 3.851 4.903 ( -0.268 0.201 4.642) 4.654 4.941 ( -2.894 -5.468 -10.407) 12.107 5.260 ( -0.304 -2.945 0.875) 3.088 5.537 ( 5.628 -4.042 -7.414) 10.148 5.914 ( 2.957 8.504 5.850) 10.737 6.381 ( -1.494 6.973 -3.418) 7.908 6.495 ( 4.595 -5.388 7.191) 10.093 6.645 ( 3.679 -1.429 2.971) 4.940 6.863 ( -1.235 1.774 -1.487) 2.623 7.039 ( 3.862 -0.851 -2.691) 4.783 8.426 ( -2.727 -0.326 -3.951) 4.812 8.485 ( -3.429 -1.481 0.175) 3.739 8.634 ( -7.835 0.074 -2.636) 8.266 8.830 ( -7.397 -3.864 0.753) 8.380 9.041 ( -1.637 0.180 2.953) 3.381 9.150 ( -4.636 4.549 5.371) 8.428 9.235 ( -1.109 3.459 1.377) 3.885 9.389 ( -0.794 -1.247 -2.312) 2.745 9.567 ( 1.739 0.535 0.792) 1.984 9.708 ( 7.190 2.721 -3.616) 8.495 9.803 ( 4.577 -2.287 3.692) 6.309 10.044 ( 7.656 -3.258 -2.141) 8.592 10.085 ( 3.438 -0.933 -2.073) 4.121 10.182 ( 1.976 -0.354 -2.310) 3.061 12.623 ( 0.383 2.510 2.596) 3.632 12.819 ( 4.644 -1.043 -0.285) 4.768 20.412 ( 2.091 2.657 -0.757) 3.464 20.483 ( 4.458 4.930 2.341) 7.047 21.108 ( -5.263 -0.740 -2.149) 5.733 21.137 ( -8.937 2.347 0.859) 9.280 21.247 ( -4.102 -2.904 -4.102) 6.487 21.367 ( 0.325 0.742 -1.041) 1.319 21.458 ( -7.792 -0.945 0.055) 7.849 21.588 ( -16.962 -1.259 -0.933) 17.034 22.548 ( 12.061 0.194 2.418) 12.302 22.804 ( 3.648 -3.847 1.933) 5.643 22.857 ( 0.482 0.776 0.666) 1.131 22.968 ( 3.455 -5.236 3.917) 7.396 23.998 ( 1.398 1.718 -0.701) 2.323 24.094 ( 2.461 1.404 -0.334) 2.853 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -10.523 0.921 11.004) 15.254 0.803 ( -7.470 11.361 12.595) 18.534 0.945 ( 8.087 9.189 13.887) 18.512 1.205 ( -1.539 -1.714 -7.317) 7.671 1.374 ( -4.477 7.272 11.445) 14.280 1.449 ( -5.839 -3.147 -2.611) 7.128 1.514 ( -1.115 -0.116 6.174) 6.275 1.583 ( -5.558 -4.192 -0.917) 7.022 1.629 ( -0.578 -4.099 0.069) 4.140 1.693 ( -1.305 1.662 -1.300) 2.481 1.737 ( -2.672 -1.543 -0.772) 3.181 1.780 ( 0.690 -0.672 -2.650) 2.820 1.841 ( 0.464 -1.046 -2.785) 3.011 1.933 ( -2.422 -1.369 -2.938) 4.046 2.036 ( -1.525 -2.092 -2.664) 3.715 2.107 ( 1.481 -4.393 -1.682) 4.932 2.131 ( -2.197 -0.548 -2.944) 3.714 2.175 ( -2.003 1.291 -1.588) 2.864 2.209 ( -2.007 4.466 -3.086) 5.787 2.265 ( -0.664 -2.112 0.048) 2.214 2.307 ( -0.151 -2.551 -1.174) 2.812 2.440 ( 3.651 5.154 0.638) 6.348 2.475 ( 1.357 -1.691 2.160) 3.060 2.538 ( 1.356 0.302 -4.671) 4.874 2.556 ( 0.061 -1.454 0.526) 1.547 2.595 ( 5.993 2.656 0.983) 6.629 2.610 ( -1.669 1.562 0.104) 2.289 2.673 ( -1.035 2.121 2.504) 3.441 2.725 ( 0.657 -2.221 0.804) 2.452 2.761 ( -3.279 0.157 0.400) 3.307 2.792 ( 0.012 1.641 -0.520) 1.721 2.904 ( 3.810 -0.959 -1.963) 4.392 2.929 ( -1.349 -0.360 -2.044) 2.475 3.017 ( -0.855 1.263 0.853) 1.748 3.072 ( -1.503 1.475 -3.880) 4.415 3.133 ( -0.168 0.814 -0.087) 0.836 3.164 ( -1.537 0.943 -1.585) 2.400 3.304 ( 3.017 -0.092 -0.110) 3.021 3.375 ( 1.942 -0.596 -5.862) 6.203 3.485 ( -1.989 -5.663 -0.620) 6.034 3.551 ( -2.890 -6.032 -1.476) 6.850 3.645 ( 1.583 -3.711 -3.275) 5.197 3.863 ( 4.852 5.657 -2.354) 7.816 3.923 ( 5.120 8.970 0.424) 10.337 4.178 ( 6.878 -4.375 6.152) 10.213 4.274 ( 8.516 -1.888 6.131) 10.662 4.305 ( -0.532 -1.040 1.816) 2.159 4.392 ( 0.376 2.218 0.919) 2.430 4.507 ( -0.396 -0.750 -0.498) 0.984 4.716 ( -8.757 -1.762 -7.686) 11.784 4.771 ( 3.562 1.805 1.098) 4.141 4.952 ( -0.994 -3.897 4.404) 5.964 5.260 ( -0.205 -1.640 0.016) 1.653 5.473 ( 0.503 -0.278 -11.316) 11.331 6.110 ( 8.096 10.002 12.371) 17.850 6.345 ( 0.686 4.598 0.181) 4.653 6.560 ( -6.194 -1.962 3.803) 7.529 6.712 ( 2.733 -3.440 -1.940) 4.803 6.857 ( 1.039 -1.902 1.236) 2.495 7.060 ( 3.740 -0.686 -5.963) 7.072 8.351 ( -1.360 -0.318 -2.416) 2.791 8.437 ( -3.934 -2.158 0.612) 4.529 8.504 ( -3.328 2.110 -1.234) 4.129 8.716 ( -6.984 -3.227 -0.786) 7.734 9.034 ( -2.105 0.185 1.562) 2.627 9.101 ( -5.750 3.035 2.320) 6.903 9.206 ( -1.148 0.604 2.292) 2.633 9.417 ( 2.791 -4.463 -1.490) 5.471 9.632 ( 0.992 -0.909 5.397) 5.562 9.766 ( 5.408 3.095 -4.661) 7.782 9.935 ( 4.809 -3.364 3.212) 6.691 10.085 ( 3.209 -2.471 -2.314) 4.665 10.137 ( 1.849 2.237 -0.319) 2.920 10.197 ( 4.715 -0.341 -3.503) 5.884 12.688 ( 2.135 4.849 5.101) 7.355 12.882 ( 3.672 1.578 -1.501) 4.269 20.433 ( 0.971 0.641 0.785) 1.403 20.562 ( 2.779 2.271 -0.415) 3.613 21.022 ( -2.341 -0.493 -1.524) 2.837 21.036 ( -2.210 0.399 0.270) 2.262 21.135 ( -4.046 -1.922 -3.809) 5.880 21.281 ( -13.724 -2.851 -0.817) 14.041 21.350 ( -0.776 2.911 -0.797) 3.116 21.408 ( -5.916 0.930 2.850) 6.632 22.736 ( 7.893 -0.290 2.035) 8.156 22.855 ( 1.247 -1.394 1.052) 2.145 22.874 ( 0.856 0.989 0.551) 1.419 22.988 ( -2.981 -4.189 -1.279) 5.299 24.058 ( 2.461 -0.776 3.475) 4.328 24.158 ( 5.995 0.079 -0.890) 6.061 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.361 3.412 1.962) 3.953 0.875 ( 0.580 -9.624 -10.890) 14.545 1.097 ( -1.789 9.873 7.903) 12.773 1.241 ( -1.661 0.463 -0.689) 1.857 1.344 ( -0.206 2.089 -1.929) 2.851 1.392 ( 1.798 -4.178 -1.399) 4.759 1.495 ( -0.068 -3.776 7.397) 8.305 1.518 ( -1.173 -4.029 6.289) 7.560 1.691 ( 1.762 3.041 -0.949) 3.640 1.720 ( 2.229 1.131 -0.253) 2.512 1.744 ( 0.652 2.864 1.270) 3.200 1.785 ( -1.174 -1.033 0.727) 1.724 1.817 ( -1.203 -0.063 -1.458) 1.891 1.837 ( 0.580 -1.045 -3.243) 3.456 1.994 ( 1.972 1.189 0.583) 2.375 2.041 ( 0.907 -2.727 1.129) 3.088 2.069 ( -0.684 1.579 -6.232) 6.465 2.111 ( -0.686 -1.620 -6.364) 6.602 2.234 ( -2.220 5.463 4.507) 7.422 2.296 ( 0.747 0.627 -2.012) 2.236 2.316 ( -0.036 2.142 4.211) 4.725 2.420 ( -0.087 -4.858 -2.033) 5.267 2.516 ( -1.196 0.242 1.785) 2.162 2.542 ( -3.736 -0.881 1.426) 4.095 2.572 ( -1.213 3.541 -0.451) 3.770 2.616 ( 0.924 0.579 -1.502) 1.856 2.666 ( 1.978 1.596 1.454) 2.929 2.719 ( -0.843 0.617 -1.818) 2.097 2.730 ( 0.966 0.872 3.027) 3.295 2.769 ( 2.103 0.255 2.008) 2.919 2.868 ( 3.298 2.198 0.169) 3.967 2.918 ( 1.835 -0.756 -3.698) 4.196 2.980 ( 0.383 0.345 2.218) 2.277 2.985 ( -0.171 0.069 -1.101) 1.117 3.039 ( -0.647 -1.363 -1.041) 1.833 3.084 ( -0.764 -4.253 -1.147) 4.471 3.105 ( 0.406 2.349 -2.091) 3.171 3.184 ( -2.103 -5.169 -6.426) 8.511 3.367 ( -0.107 1.801 2.485) 3.071 3.399 ( -1.009 -1.062 0.247) 1.485 3.505 ( 1.451 1.635 -0.766) 2.316 3.551 ( 1.292 -2.260 -4.520) 5.216 3.999 ( 0.419 2.785 0.745) 2.913 4.037 ( -0.463 0.153 -2.005) 2.063 4.264 ( 1.480 0.257 4.271) 4.528 4.286 ( 1.572 -2.266 2.398) 3.654 4.352 ( -3.241 1.071 -1.182) 3.612 4.386 ( -4.612 -0.193 -4.676) 6.571 4.487 ( -0.861 -0.646 3.177) 3.354 4.531 ( 2.867 -3.764 -1.155) 4.871 4.883 ( 1.912 0.261 1.002) 2.175 4.889 ( -1.341 -0.140 0.411) 1.410 5.300 ( 0.042 2.488 1.559) 2.937 5.351 ( -1.186 -1.785 -3.398) 4.017 6.393 ( 3.071 -0.144 1.654) 3.491 6.410 ( -2.999 -1.526 -0.017) 3.365 6.545 ( -0.097 3.996 5.934) 7.155 6.614 ( -1.305 -3.236 -0.813) 3.582 6.936 ( 1.850 5.149 2.552) 6.037 7.016 ( 0.246 -1.180 -4.163) 4.334 8.327 ( 0.399 -0.683 -0.652) 1.025 8.331 ( -0.367 -1.003 -1.023) 1.479 8.565 ( 1.624 0.963 1.042) 2.156 8.581 ( -1.366 -0.657 -0.622) 1.638 9.080 ( -0.684 2.885 1.658) 3.397 9.122 ( 0.033 4.913 -1.720) 5.205 9.166 ( -0.482 -4.190 3.124) 5.249 9.270 ( 0.874 -7.637 -5.637) 9.532 9.701 ( -0.684 3.103 3.450) 4.690 9.769 ( 0.991 -2.379 -2.395) 3.518 9.966 ( 0.451 1.332 0.873) 1.655 10.029 ( 0.171 -3.814 -3.848) 5.421 10.196 ( -1.095 1.985 1.328) 2.627 10.221 ( 0.450 -0.481 -0.645) 0.921 12.896 ( 0.662 4.504 4.083) 6.115 12.941 ( 0.394 0.453 0.024) 0.601 20.460 ( -0.050 0.742 0.141) 0.757 20.497 ( -0.098 -2.712 -3.175) 4.176 21.002 ( -1.845 0.693 1.970) 2.787 21.021 ( -1.777 -0.783 1.087) 2.225 21.082 ( 1.357 0.104 -2.171) 2.562 21.099 ( 3.790 -1.131 -2.991) 4.959 21.401 ( -1.974 2.344 2.129) 3.732 21.422 ( 1.325 0.439 0.077) 1.398 22.824 ( -0.515 -0.320 2.184) 2.267 22.836 ( -1.072 -1.453 1.161) 2.147 22.912 ( -0.149 0.763 0.776) 1.098 22.916 ( -0.338 0.452 0.520) 0.768 24.101 ( -0.256 0.820 1.300) 1.559 24.143 ( 1.094 -3.051 -2.540) 4.118 ======================= Grid point 109 (62/69) ======================= q-point: ( 0.11 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.733 0.067 1.412) 5.905 0.882 ( 9.394 -5.372 -2.900) 11.203 1.181 ( -0.527 5.211 -0.223) 5.242 1.210 ( 4.306 2.383 4.937) 6.970 1.339 ( 3.862 5.162 -0.631) 6.477 1.458 ( 5.172 -6.488 -0.641) 8.322 1.512 ( -0.503 -3.849 -0.424) 3.904 1.551 ( 0.052 -4.191 1.234) 4.369 1.676 ( -1.439 1.974 -1.867) 3.075 1.694 ( -2.649 0.824 -3.274) 4.291 1.762 ( -0.150 1.505 -0.004) 1.513 1.800 ( 0.767 -1.661 1.959) 2.681 1.824 ( 1.722 2.958 0.118) 3.424 1.880 ( 4.508 -2.028 0.432) 4.962 1.994 ( 0.591 1.839 -4.570) 4.961 2.018 ( -0.503 -0.940 -1.254) 1.646 2.066 ( 2.962 1.235 1.829) 3.694 2.131 ( 5.571 -3.104 2.165) 6.735 2.242 ( -2.005 3.090 2.669) 4.549 2.288 ( 0.317 0.936 -1.446) 1.752 2.364 ( -0.460 0.670 1.547) 1.748 2.403 ( 1.840 -1.969 -0.840) 2.823 2.466 ( -4.593 1.279 2.807) 5.532 2.480 ( -5.207 0.713 1.146) 5.379 2.609 ( -0.869 1.938 0.673) 2.228 2.620 ( -0.990 2.309 -0.907) 2.671 2.654 ( -0.990 -1.483 -2.006) 2.684 2.691 ( 0.080 2.216 1.992) 2.981 2.748 ( -0.684 -0.697 -2.680) 2.852 2.797 ( 3.367 -0.676 0.366) 3.453 2.863 ( -0.694 -0.023 -3.956) 4.016 2.874 ( -1.166 0.221 -1.027) 1.570 3.001 ( -0.543 1.456 -4.371) 4.639 3.028 ( 2.650 0.169 -0.419) 2.688 3.046 ( 3.400 0.845 2.490) 4.298 3.099 ( 1.136 1.622 -0.907) 2.178 3.122 ( 5.494 -3.900 1.473) 6.897 3.180 ( 2.891 -4.528 3.070) 6.187 3.370 ( -1.062 2.314 0.258) 2.560 3.411 ( 0.817 -0.122 2.035) 2.196 3.504 ( -0.242 0.007 -2.798) 2.808 3.524 ( 0.851 -1.311 -1.734) 2.334 3.953 ( -5.559 4.198 -0.226) 6.970 4.012 ( -2.085 -1.048 0.165) 2.340 4.176 ( -10.033 0.817 0.129) 10.067 4.223 ( -7.230 -3.349 0.655) 7.995 4.370 ( 0.760 1.762 1.821) 2.646 4.449 ( 5.246 -0.693 1.811) 5.594 4.452 ( -5.293 -2.106 0.556) 5.723 4.510 ( -0.170 -3.715 -0.694) 3.783 4.860 ( -1.372 3.288 -0.618) 3.616 4.926 ( 1.973 -2.701 -0.235) 3.353 5.297 ( -1.952 1.180 -1.200) 2.577 5.315 ( -1.362 -0.210 3.012) 3.313 6.378 ( -0.611 3.751 -1.392) 4.047 6.477 ( 4.682 -4.189 0.159) 6.285 6.539 ( -4.603 2.620 0.075) 5.297 6.601 ( -1.059 -2.242 1.971) 3.167 6.923 ( -3.843 2.763 -4.003) 6.199 6.953 ( -2.864 0.365 1.705) 3.353 8.339 ( 2.958 1.649 -0.055) 3.387 8.388 ( 5.315 -2.780 -0.173) 6.000 8.575 ( 2.746 3.496 -0.537) 4.478 8.641 ( 5.703 -2.828 0.354) 6.375 9.072 ( -0.855 3.650 0.379) 3.768 9.165 ( 4.458 2.074 0.584) 4.951 9.204 ( 0.504 -6.940 -0.019) 6.958 9.243 ( 2.517 -3.869 -0.155) 4.618 9.714 ( -1.755 3.274 2.339) 4.390 9.757 ( 1.032 -0.904 -3.112) 3.401 9.939 ( -5.409 -2.084 -3.918) 6.997 9.946 ( -5.312 -2.390 2.926) 6.519 10.165 ( -4.530 2.108 1.664) 5.266 10.188 ( -3.134 -0.033 -0.560) 3.184 12.888 ( -4.217 2.858 -2.399) 5.631 12.898 ( -3.862 1.952 0.680) 4.380 20.465 ( 0.950 2.038 0.106) 2.251 20.522 ( 3.057 -3.107 0.138) 4.361 21.002 ( 1.058 0.983 1.226) 1.895 21.026 ( 1.098 -1.168 1.348) 2.095 21.130 ( 7.868 3.695 -2.129) 8.949 21.220 ( 12.304 -4.412 -2.465) 13.301 21.393 ( -0.862 3.489 1.114) 3.763 21.452 ( 2.524 -1.641 -0.309) 3.026 22.762 ( -7.147 1.525 0.939) 7.368 22.809 ( -4.344 -2.610 1.136) 5.194 22.913 ( -0.321 1.533 0.133) 1.572 22.938 ( 0.781 -0.687 0.664) 1.234 24.085 ( -3.066 0.153 0.666) 3.141 24.110 ( -1.642 -2.298 -1.836) 3.369 ======================= Grid point 110 (63/69) ======================= q-point: ( 0.22 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 3.876 1.107 -3.210) 5.153 0.969 ( 0.395 -4.456 2.602) 5.175 1.255 ( 7.703 8.520 -2.615) 11.780 1.305 ( 9.898 9.967 -5.132) 14.955 1.417 ( 1.465 -4.866 -3.468) 6.153 1.470 ( 2.237 -3.478 -7.487) 8.553 1.571 ( 6.069 -0.070 5.767) 8.373 1.606 ( 7.219 -2.908 -1.403) 7.908 1.636 ( -0.242 -0.429 0.041) 0.495 1.640 ( 0.862 -3.426 -1.435) 3.813 1.757 ( 0.472 1.440 0.466) 1.585 1.823 ( 0.143 -3.303 1.785) 3.758 1.853 ( 0.468 3.143 3.047) 4.403 1.927 ( -1.185 -3.974 4.312) 5.983 2.012 ( 3.085 3.392 0.628) 4.628 2.063 ( 4.811 -0.810 1.670) 5.156 2.127 ( 1.644 3.152 1.874) 4.019 2.221 ( -0.347 -1.384 0.414) 1.486 2.264 ( 0.125 -1.084 -0.175) 1.105 2.268 ( 1.615 -1.717 2.676) 3.566 2.337 ( -0.787 3.088 -1.857) 3.689 2.405 ( -2.162 -3.383 -1.414) 4.256 2.423 ( -3.422 0.882 1.259) 3.751 2.455 ( -1.479 -1.418 0.825) 2.209 2.543 ( -1.673 4.851 -0.631) 5.170 2.564 ( -4.162 0.469 -1.690) 4.516 2.601 ( -1.994 -0.080 -1.074) 2.266 2.663 ( -0.455 -2.905 -2.858) 4.100 2.818 ( 3.579 1.031 -0.092) 3.725 2.836 ( 3.310 0.121 -1.490) 3.632 2.858 ( 1.121 1.863 1.123) 2.447 2.869 ( 0.624 1.328 0.270) 1.492 2.967 ( 3.004 0.903 -1.908) 3.671 3.012 ( -0.488 -3.119 -0.587) 3.211 3.134 ( 0.709 4.079 2.702) 4.944 3.166 ( 3.878 2.331 2.224) 5.042 3.204 ( 3.285 -1.309 -1.106) 3.706 3.241 ( 0.524 -4.823 2.975) 5.691 3.367 ( 1.955 4.763 -0.979) 5.240 3.446 ( 0.082 1.720 0.475) 1.787 3.472 ( 0.014 -2.854 -0.052) 2.855 3.531 ( 2.612 -4.352 -1.812) 5.390 3.850 ( -8.871 6.480 3.065) 11.406 3.937 ( -7.827 1.341 -0.049) 7.942 4.026 ( -6.545 -3.185 -0.861) 7.330 4.058 ( -11.379 -5.154 -3.657) 13.016 4.313 ( -3.256 1.529 -1.703) 3.980 4.358 ( -3.783 -2.186 -1.584) 4.648 4.537 ( 3.194 2.345 4.533) 6.021 4.627 ( 3.082 -5.349 8.241) 10.296 4.835 ( -0.592 5.857 -0.964) 5.965 4.938 ( 1.014 -3.719 -1.925) 4.309 5.265 ( -1.383 1.856 0.185) 2.322 5.323 ( -2.361 -2.926 3.859) 5.388 6.278 ( -6.432 9.104 -7.570) 13.474 6.463 ( -6.144 -8.115 -4.824) 11.264 6.489 ( 0.271 7.315 1.276) 7.430 6.616 ( 1.499 -4.947 0.896) 5.246 6.873 ( 0.178 2.567 1.271) 2.870 6.932 ( -1.388 -2.590 2.770) 4.038 8.403 ( 3.943 2.917 0.646) 4.947 8.457 ( 3.591 -1.976 -0.579) 4.139 8.658 ( 7.039 3.916 -0.404) 8.065 8.748 ( 7.202 -4.895 -0.375) 8.716 9.071 ( -0.170 2.775 0.877) 2.915 9.183 ( -0.218 -6.149 0.654) 6.187 9.284 ( 5.614 1.678 1.870) 6.151 9.310 ( 3.719 -1.070 1.039) 4.007 9.687 ( -1.340 3.152 -2.726) 4.378 9.729 ( -2.988 1.515 0.250) 3.360 9.792 ( -6.977 -1.610 -3.068) 7.790 9.866 ( -7.961 -5.291 2.723) 9.939 10.098 ( -5.348 2.614 1.461) 6.130 10.135 ( -2.835 -0.879 0.828) 3.082 12.774 ( -4.499 3.339 -3.751) 6.742 12.816 ( -5.195 -0.478 -1.228) 5.360 20.481 ( 0.385 3.917 -0.212) 3.941 20.545 ( -0.481 -1.437 -0.272) 1.539 21.061 ( 3.737 0.189 1.312) 3.965 21.087 ( 3.276 -2.160 2.644) 4.732 21.275 ( 10.580 6.160 -0.616) 12.258 21.389 ( 6.077 1.083 1.286) 6.306 21.417 ( 5.452 -1.143 -1.766) 5.844 21.527 ( 10.043 -5.586 -0.986) 11.534 22.633 ( -8.969 3.791 -0.512) 9.750 22.728 ( -6.542 -4.727 0.271) 8.076 22.899 ( -0.951 1.844 -0.615) 2.164 22.938 ( -0.945 -1.772 -0.447) 2.057 24.031 ( -3.067 1.233 -0.062) 3.306 24.066 ( -2.450 -2.080 0.161) 3.218 ======================= Grid point 111 (64/69) ======================= q-point: ( 0.33 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.234 4.440 -5.185) 7.182 1.002 ( 0.256 -5.568 1.747) 5.841 1.276 ( 3.750 5.821 -12.510) 14.299 1.316 ( 4.195 6.425 -5.095) 9.211 1.384 ( 1.754 -1.333 -7.896) 8.198 1.515 ( 5.622 -5.918 -3.836) 9.019 1.598 ( 1.530 4.009 -0.056) 4.292 1.668 ( 2.271 -2.027 -1.189) 3.268 1.701 ( 4.563 -2.438 -0.964) 5.262 1.716 ( 1.336 -2.684 0.877) 3.124 1.828 ( 5.250 1.671 3.313) 6.429 1.874 ( 0.526 -0.594 5.015) 5.077 1.924 ( 2.748 0.379 5.566) 6.219 1.971 ( -0.297 -2.624 6.746) 7.245 2.082 ( 1.761 4.353 1.304) 4.874 2.118 ( -2.486 1.187 2.699) 3.857 2.159 ( 1.539 1.902 2.079) 3.211 2.221 ( -1.519 -0.248 -0.514) 1.623 2.244 ( -0.497 -2.557 0.828) 2.733 2.260 ( -4.508 -2.081 1.089) 5.083 2.334 ( 0.799 -0.238 -1.312) 1.555 2.366 ( -0.132 -2.667 0.066) 2.671 2.394 ( -0.925 -0.049 1.683) 1.921 2.407 ( -0.018 -0.107 -2.118) 2.121 2.522 ( 0.847 -0.040 0.837) 1.191 2.552 ( -0.312 -2.607 2.026) 3.316 2.594 ( 2.807 5.090 -0.852) 5.875 2.653 ( 1.886 -0.449 -2.724) 3.344 2.795 ( -0.539 2.572 -3.886) 4.691 2.860 ( 1.028 0.465 -1.434) 1.825 2.868 ( 1.627 1.142 0.879) 2.174 2.937 ( 2.728 -0.338 0.830) 2.871 2.987 ( -0.054 -0.037 -1.076) 1.078 3.028 ( 1.095 -2.261 0.531) 2.568 3.140 ( -2.382 3.598 2.942) 5.222 3.185 ( -1.202 1.172 -0.415) 1.729 3.253 ( 2.408 0.205 -0.611) 2.493 3.265 ( 0.519 -2.310 -0.461) 2.412 3.409 ( 5.108 8.736 -2.675) 10.468 3.443 ( -1.558 -0.410 3.284) 3.658 3.490 ( 1.081 -3.597 0.366) 3.774 3.573 ( 4.609 -5.345 -2.945) 7.648 3.733 ( -8.946 3.252 3.018) 9.986 3.784 ( -10.660 -0.900 -0.897) 10.736 3.870 ( -3.944 1.473 -2.354) 4.824 3.940 ( -4.091 -4.001 0.033) 5.723 4.270 ( -1.481 0.797 0.070) 1.684 4.306 ( -1.671 -1.994 -0.242) 2.613 4.631 ( 1.787 2.791 5.228) 6.190 4.728 ( -1.304 -5.065 7.528) 9.166 4.819 ( -0.328 5.088 -0.829) 5.166 4.919 ( 0.008 -3.726 -2.917) 4.732 5.252 ( -0.919 1.502 0.682) 1.889 5.315 ( -3.189 -3.952 2.708) 5.755 6.098 ( -3.705 7.855 -7.208) 11.286 6.261 ( -8.098 -7.485 -7.335) 13.244 6.526 ( 1.191 6.266 1.632) 6.584 6.628 ( 0.192 -3.362 -1.336) 3.622 6.927 ( 1.926 2.137 3.660) 4.655 6.961 ( 0.050 -1.107 3.475) 3.647 8.468 ( 2.875 2.188 0.748) 3.689 8.505 ( 2.967 -1.517 -0.272) 3.344 8.764 ( 5.657 3.435 0.524) 6.639 8.855 ( 5.915 -5.046 -0.149) 7.776 9.085 ( -0.023 2.996 1.897) 3.546 9.191 ( -1.017 -5.849 2.102) 6.298 9.343 ( 2.257 3.576 -2.268) 4.799 9.397 ( 4.671 -1.527 -0.102) 4.915 9.623 ( -3.117 4.231 -2.308) 5.740 9.644 ( -5.523 4.493 1.298) 7.237 9.700 ( -2.362 -3.240 -0.833) 4.095 9.771 ( -6.660 -6.848 2.492) 9.873 10.041 ( -3.136 3.507 1.327) 4.888 10.114 ( -1.257 -2.979 0.456) 3.266 12.685 ( -1.984 2.295 -2.569) 3.976 12.727 ( -3.508 -1.471 -1.587) 4.122 20.467 ( -0.749 4.001 -1.489) 4.335 20.510 ( -1.754 0.549 -2.087) 2.781 21.140 ( 3.517 -0.597 2.244) 4.215 21.167 ( 2.005 -3.167 3.398) 5.059 21.374 ( 0.604 4.723 2.911) 5.581 21.463 ( 3.622 0.418 -2.742) 4.562 21.560 ( 11.946 4.794 3.143) 13.250 21.747 ( 15.874 -8.789 -0.915) 18.168 22.458 ( -9.862 5.974 -3.502) 12.051 22.596 ( -8.640 -6.853 -2.244) 11.254 22.876 ( -0.831 1.319 -0.780) 1.743 22.905 ( -1.370 -1.378 -1.572) 2.499 24.003 ( -1.217 1.805 1.451) 2.616 24.041 ( -1.418 -1.766 1.101) 2.518 ======================= Grid point 112 (65/69) ======================= q-point: ( 0.44 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 3.281 3.646 -2.623) 5.562 0.987 ( -1.861 -5.359 -2.265) 6.109 1.247 ( 7.121 5.710 -8.350) 12.370 1.284 ( -1.955 2.954 -3.703) 5.125 1.355 ( 4.144 -0.843 -6.346) 7.626 1.438 ( -5.382 -6.557 -5.815) 10.284 1.666 ( 1.731 0.906 0.778) 2.103 1.678 ( -0.197 -0.902 1.187) 1.504 1.718 ( 1.544 1.687 0.276) 2.303 1.760 ( 0.925 -2.507 -0.595) 2.738 1.884 ( 2.611 0.553 -0.166) 2.674 1.915 ( -0.436 -2.405 0.839) 2.584 2.004 ( 0.569 0.149 3.035) 3.092 2.042 ( -3.141 4.035 0.592) 5.148 2.058 ( 1.922 -3.036 2.594) 4.432 2.130 ( -1.324 -1.939 -1.086) 2.587 2.152 ( -4.536 2.006 2.581) 5.591 2.182 ( -1.739 0.546 1.659) 2.465 2.236 ( 0.557 -0.004 3.025) 3.076 2.241 ( -1.090 0.139 3.038) 3.230 2.343 ( 1.843 1.875 -0.195) 2.636 2.368 ( -1.251 0.495 1.829) 2.271 2.450 ( 2.965 -1.097 3.649) 4.828 2.489 ( 4.574 -4.940 2.515) 7.187 2.552 ( 0.293 1.765 2.035) 2.709 2.586 ( 4.129 -0.004 -2.123) 4.643 2.620 ( 1.455 1.668 -2.288) 3.184 2.646 ( -0.618 -1.112 -2.272) 2.604 2.785 ( 3.246 4.935 0.168) 5.909 2.876 ( -1.266 3.374 0.441) 3.630 2.881 ( 0.948 -2.250 1.718) 2.986 2.940 ( -1.102 -2.388 -0.100) 2.632 3.006 ( 3.718 1.044 -1.776) 4.250 3.033 ( 1.601 -0.893 -2.075) 2.769 3.139 ( -3.305 3.367 3.167) 5.683 3.161 ( 0.636 3.688 -3.298) 4.989 3.230 ( -2.674 0.143 -1.570) 3.104 3.246 ( -0.602 -0.309 -1.686) 1.816 3.438 ( -0.478 1.636 0.604) 1.809 3.489 ( 1.661 -2.460 2.321) 3.767 3.493 ( 1.233 1.909 -1.679) 2.826 3.578 ( 0.726 -3.587 -3.582) 5.121 3.626 ( -6.331 1.163 0.874) 6.496 3.667 ( -1.905 -2.036 -0.449) 2.824 3.840 ( -1.324 3.027 2.597) 4.203 3.901 ( -0.658 -2.675 -0.313) 2.773 4.258 ( -0.176 1.348 0.111) 1.364 4.281 ( -0.939 -0.236 -0.703) 1.197 4.724 ( 2.871 -1.327 5.488) 6.334 4.761 ( -3.112 -3.641 5.987) 7.667 4.805 ( -0.337 3.289 -0.379) 3.328 4.876 ( -1.337 -3.201 -3.067) 4.631 5.253 ( -0.127 0.527 1.159) 1.280 5.285 ( -2.454 -2.394 0.954) 3.559 6.023 ( 2.092 2.189 -4.898) 5.758 6.085 ( -3.934 -4.008 -6.238) 8.393 6.551 ( 0.021 4.165 1.349) 4.378 6.605 ( -0.473 -1.038 -1.866) 2.187 6.989 ( 0.502 2.108 3.105) 3.787 6.996 ( 0.450 1.357 2.419) 2.810 8.510 ( 1.082 1.230 1.017) 1.928 8.541 ( 1.944 -2.074 -0.840) 2.965 8.847 ( 2.234 2.786 2.612) 4.425 8.920 ( 1.830 -4.084 -0.075) 4.476 9.105 ( -0.425 4.271 2.470) 4.952 9.196 ( -0.317 -3.461 0.600) 3.527 9.331 ( 0.702 2.526 -3.465) 4.345 9.397 ( -1.267 -3.181 -3.919) 5.204 9.591 ( -1.200 4.002 3.823) 5.664 9.624 ( 1.425 2.896 -0.175) 3.232 9.666 ( -3.035 -2.580 2.048) 4.479 9.716 ( -1.024 -5.103 -0.381) 5.219 10.028 ( -0.429 2.518 1.555) 2.990 10.091 ( -1.050 -2.977 -1.168) 3.366 12.654 ( 0.310 0.778 -1.103) 1.385 12.673 ( -1.395 -0.911 -1.171) 2.037 20.438 ( -0.409 3.313 -1.460) 3.644 20.460 ( -0.924 1.464 -2.447) 2.998 21.212 ( 1.104 -1.877 2.944) 3.661 21.222 ( 1.257 -3.079 2.346) 4.070 21.399 ( -1.426 5.058 3.121) 6.112 21.472 ( 1.365 0.422 -2.717) 3.069 21.796 ( 9.611 5.825 6.382) 12.924 21.987 ( 12.955 -10.284 0.615) 16.552 22.250 ( -8.293 7.507 -5.835) 12.617 22.397 ( -10.422 -6.862 -5.528) 13.648 22.859 ( -0.495 0.785 -0.328) 0.984 22.873 ( -0.450 -0.444 -1.329) 1.471 24.016 ( -0.050 1.226 2.144) 2.470 24.041 ( -0.042 -1.152 0.796) 1.401 ======================= Grid point 113 (66/69) ======================= q-point: (-0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -2.615 0.469 -3.491) 4.387 0.928 ( 1.872 -0.579 1.562) 2.506 1.186 ( -5.774 2.794 -2.115) 6.754 1.252 ( -5.903 -2.218 -0.460) 6.323 1.307 ( 3.297 2.425 -3.272) 5.240 1.407 ( 6.422 -5.002 -3.273) 8.774 1.648 ( -6.623 2.013 2.526) 7.369 1.667 ( -2.752 -0.818 1.331) 3.164 1.729 ( -1.377 -0.683 1.628) 2.239 1.734 ( -2.191 -1.172 0.118) 2.488 1.911 ( 1.714 0.496 -2.940) 3.439 1.956 ( 6.048 -2.408 -2.740) 7.063 2.017 ( -0.580 0.845 2.096) 2.333 2.047 ( 2.499 2.168 0.027) 3.309 2.060 ( -2.561 -2.492 -1.031) 3.720 2.102 ( 3.221 -2.295 1.766) 4.331 2.181 ( 1.156 2.513 1.616) 3.203 2.188 ( 2.022 0.746 0.277) 2.173 2.255 ( -1.714 -0.991 3.490) 4.013 2.279 ( -1.079 -2.128 1.489) 2.813 2.343 ( -1.646 3.013 -0.731) 3.511 2.383 ( 1.947 1.576 0.566) 2.568 2.486 ( -4.932 -1.070 1.691) 5.323 2.521 ( 0.515 -1.877 -0.065) 1.948 2.561 ( -2.037 0.996 -0.618) 2.350 2.587 ( -2.411 2.206 -1.996) 3.829 2.602 ( 0.284 -0.273 -1.007) 1.081 2.631 ( 1.666 -2.602 -0.931) 3.227 2.830 ( -3.419 6.808 -3.345) 8.320 2.864 ( 3.735 2.976 1.289) 4.946 2.928 ( -0.988 -0.672 1.126) 1.642 2.939 ( 0.435 -1.236 2.325) 2.668 2.961 ( -4.164 2.690 -2.176) 5.414 3.022 ( -0.386 -2.157 -3.815) 4.400 3.093 ( -1.555 4.715 1.281) 5.127 3.167 ( 4.676 4.617 -0.550) 6.595 3.215 ( -0.925 -5.418 2.018) 5.855 3.246 ( 1.342 -2.900 0.026) 3.195 3.446 ( 0.005 1.337 -0.431) 1.405 3.459 ( 1.081 0.057 -0.590) 1.233 3.517 ( -2.694 1.065 -0.323) 2.915 3.552 ( -1.839 -1.245 0.805) 2.362 3.626 ( 4.669 0.195 1.248) 4.837 3.669 ( 3.913 -3.020 -2.167) 5.397 3.859 ( -0.703 2.381 2.969) 3.871 3.895 ( 1.163 -0.862 -1.157) 1.854 4.263 ( 0.582 1.366 -0.166) 1.495 4.275 ( 1.624 0.673 -0.583) 1.852 4.756 ( -4.425 -0.322 3.445) 5.618 4.805 ( 0.393 1.140 0.780) 1.436 4.819 ( -0.409 -0.953 -1.898) 2.163 4.835 ( 3.672 -6.540 2.235) 7.826 5.260 ( -1.075 0.238 0.725) 1.318 5.280 ( 1.470 -1.524 1.221) 2.444 5.994 ( -0.615 0.953 -3.022) 3.228 6.049 ( 5.723 -4.074 -3.225) 7.730 6.565 ( -0.219 2.208 1.861) 2.896 6.580 ( -0.275 0.914 -1.485) 1.765 7.005 ( -0.946 3.389 1.258) 3.736 7.026 ( 0.808 1.636 0.281) 1.846 8.522 ( -0.963 0.223 0.791) 1.266 8.543 ( -0.051 -1.833 -1.801) 2.570 8.881 ( -2.455 0.306 3.080) 3.951 8.905 ( -2.438 -1.958 -1.600) 3.512 9.134 ( -0.745 4.621 4.251) 6.323 9.178 ( 0.096 2.059 -2.737) 3.427 9.299 ( -3.206 -0.528 0.458) 3.282 9.361 ( 2.566 -4.671 -1.880) 5.651 9.609 ( -0.837 1.921 1.178) 2.404 9.655 ( -1.486 -1.886 3.010) 3.850 9.659 ( 3.434 3.255 -1.916) 5.105 9.737 ( 5.319 -3.625 -1.980) 6.734 10.058 ( 1.551 -0.515 1.889) 2.498 10.062 ( -0.168 -0.894 -1.686) 1.915 12.648 ( -0.241 0.711 -0.568) 0.941 12.667 ( 2.008 -1.035 -0.729) 2.374 20.432 ( 0.826 2.451 -0.152) 2.590 20.436 ( 0.682 1.929 -1.198) 2.371 21.226 ( -2.235 -1.480 1.717) 3.183 21.255 ( 0.286 -4.008 0.261) 4.027 21.398 ( -2.972 5.305 3.185) 6.865 21.454 ( -0.080 1.488 -2.165) 2.628 21.884 ( -10.846 4.871 2.082) 12.070 22.047 ( -3.262 -9.472 -7.036) 12.242 22.180 ( 1.659 5.382 0.950) 5.712 22.289 ( 9.598 -5.149 2.296) 11.132 22.852 ( -0.235 0.686 0.303) 0.786 22.863 ( 0.451 -0.231 -0.595) 0.781 24.033 ( -0.122 0.996 0.971) 1.396 24.054 ( 1.502 -0.870 -0.580) 1.830 ======================= Grid point 114 (67/69) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -1.433 8.616 -0.558) 8.752 0.993 ( 0.453 -1.480 7.217) 7.381 1.078 ( -4.579 6.286 -0.230) 7.781 1.213 ( -2.944 -4.501 6.602) 8.515 1.302 ( -1.498 1.485 -2.727) 3.447 1.449 ( -1.873 -9.153 0.486) 9.356 1.571 ( -3.373 2.191 2.151) 4.561 1.632 ( -3.048 -3.082 1.424) 4.563 1.696 ( -2.960 -0.177 0.562) 3.018 1.725 ( -0.028 -2.257 -0.030) 2.257 1.882 ( -2.164 3.577 -2.748) 5.003 1.963 ( -0.615 -2.045 -3.333) 3.958 2.008 ( -2.399 2.229 -2.255) 3.976 2.048 ( -0.133 -2.350 -0.215) 2.364 2.101 ( 0.821 3.732 0.619) 3.871 2.159 ( 1.467 0.484 0.473) 1.615 2.206 ( -1.985 -0.362 -1.063) 2.281 2.222 ( -1.404 -1.275 0.009) 1.896 2.254 ( 3.923 0.759 0.115) 3.997 2.276 ( 4.393 -0.683 -2.887) 5.301 2.307 ( -2.431 1.775 0.482) 3.048 2.351 ( -6.012 -1.200 0.507) 6.151 2.413 ( -0.180 4.589 -2.480) 5.220 2.483 ( -3.857 -0.093 -1.212) 4.044 2.529 ( 1.532 -0.145 -1.990) 2.515 2.552 ( -0.793 1.891 2.520) 3.249 2.598 ( -0.779 -2.722 -1.188) 3.071 2.639 ( 1.269 -2.510 -0.025) 2.813 2.729 ( -1.927 6.002 -0.506) 6.324 2.845 ( -4.097 -3.292 -1.844) 5.570 2.904 ( -0.482 1.921 -2.018) 2.828 2.940 ( -2.467 -0.240 0.833) 2.615 2.967 ( 2.385 1.360 0.542) 2.799 3.018 ( 1.277 -2.541 0.774) 2.947 3.124 ( 1.006 4.355 3.906) 5.936 3.215 ( 0.070 -0.811 -1.393) 1.613 3.226 ( 1.065 1.010 0.310) 1.500 3.272 ( 2.469 -2.560 0.351) 3.574 3.394 ( -4.196 4.586 -1.757) 6.459 3.485 ( -2.012 -4.626 3.458) 6.115 3.514 ( 2.823 -0.725 -1.685) 3.367 3.531 ( 1.094 -3.599 -2.544) 4.541 3.719 ( 3.333 0.944 1.882) 3.942 3.735 ( 5.290 -0.369 3.356) 6.276 3.885 ( 3.712 4.084 -1.623) 5.753 3.942 ( 5.163 -1.113 0.023) 5.282 4.280 ( 1.773 0.654 -0.480) 1.949 4.302 ( 1.458 -0.598 0.122) 1.580 4.699 ( -3.607 4.643 -0.539) 5.904 4.810 ( 0.834 2.329 -0.445) 2.514 4.821 ( 0.474 -2.933 -0.050) 2.972 4.894 ( 1.427 -6.714 -0.483) 6.881 5.256 ( -0.037 2.027 0.348) 2.057 5.339 ( 3.795 -5.555 1.033) 6.806 5.999 ( 3.057 6.281 0.993) 7.056 6.149 ( 7.927 -7.898 1.646) 11.310 6.554 ( -1.332 2.935 -1.039) 3.386 6.586 ( -0.451 -0.069 2.399) 2.442 6.985 ( -1.306 3.961 -1.597) 4.466 7.026 ( 0.570 0.175 -2.195) 2.274 8.495 ( -2.505 -0.345 -0.591) 2.597 8.504 ( -2.210 -1.086 -1.326) 2.797 8.798 ( -6.658 0.979 -2.220) 7.087 8.843 ( -6.256 -3.350 1.515) 7.256 9.133 ( -0.290 4.836 -1.639) 5.114 9.197 ( 1.404 0.766 2.594) 3.047 9.259 ( -3.654 3.089 2.974) 5.633 9.388 ( 0.235 -6.727 -0.663) 6.764 9.613 ( 0.768 3.708 0.322) 3.800 9.672 ( 2.490 0.232 -0.063) 2.502 9.703 ( 5.026 2.748 -1.861) 6.023 9.826 ( 7.551 -6.148 -2.353) 10.017 10.062 ( 2.061 1.481 -0.827) 2.670 10.109 ( 2.418 -2.617 0.953) 3.688 12.651 ( 1.006 2.430 0.407) 2.662 12.705 ( 3.180 -2.520 0.067) 4.058 20.449 ( 1.914 2.713 -0.107) 3.322 20.470 ( 2.596 1.274 1.393) 3.210 21.182 ( -3.614 -0.082 -0.733) 3.688 21.232 ( -1.884 -4.589 -1.986) 5.343 21.360 ( -6.354 5.742 3.163) 9.129 21.426 ( -2.146 1.244 0.122) 2.484 21.653 ( -12.711 3.524 -3.961) 13.772 21.791 ( -14.424 -8.001 -5.271) 17.316 22.369 ( 11.561 5.594 4.160) 13.500 22.504 ( 9.286 -7.057 5.916) 13.078 22.859 ( 0.287 0.742 0.764) 1.103 22.873 ( 0.703 -0.576 0.767) 1.189 24.036 ( 0.726 1.822 -0.963) 2.185 24.071 ( 2.096 -1.179 -1.697) 2.943 ======================= Grid point 115 (68/69) ======================= q-point: (-0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.620 11.014 0.456) 11.330 1.032 ( -2.424 10.211 3.142) 10.955 1.093 ( -1.358 2.479 10.478) 10.852 1.211 ( -4.314 -1.927 -3.356) 5.796 1.273 ( -1.156 -7.423 9.133) 11.825 1.359 ( -7.168 -5.760 0.677) 9.221 1.556 ( -5.011 -2.311 3.102) 6.330 1.607 ( -2.669 -4.962 0.875) 5.702 1.655 ( -1.058 5.280 -0.953) 5.469 1.709 ( -1.724 -0.437 -3.849) 4.240 1.765 ( -4.367 2.644 -1.627) 5.358 1.868 ( -4.552 -1.892 -3.514) 6.054 1.947 ( -0.786 2.605 -4.451) 5.217 2.007 ( -1.016 -2.413 -2.289) 3.478 2.058 ( -3.442 2.606 -3.370) 5.476 2.105 ( -5.744 1.097 -1.409) 6.015 2.170 ( -0.808 0.154 -0.530) 0.979 2.221 ( -0.147 1.188 1.110) 1.632 2.241 ( -2.578 -2.527 0.055) 3.610 2.288 ( -0.411 0.033 0.042) 0.414 2.323 ( 0.877 1.004 -0.562) 1.446 2.369 ( 2.645 -3.180 2.116) 4.646 2.420 ( 2.281 1.792 0.785) 3.005 2.476 ( 4.577 -1.477 -0.831) 4.881 2.553 ( 1.921 0.835 -1.055) 2.346 2.565 ( 3.139 -0.814 0.202) 3.249 2.605 ( 1.823 1.325 -0.576) 2.326 2.637 ( 1.809 -0.745 -3.990) 4.444 2.757 ( 0.751 3.470 4.308) 5.583 2.814 ( -1.641 1.354 2.206) 3.065 2.837 ( -4.245 -0.376 -1.407) 4.488 2.876 ( -4.702 -1.078 -0.223) 4.830 2.997 ( 1.064 0.990 -1.011) 1.770 3.029 ( 0.002 -2.389 -1.533) 2.839 3.157 ( -1.755 2.189 2.086) 3.496 3.193 ( -4.538 -0.567 -0.422) 4.593 3.218 ( 1.910 2.726 -1.973) 3.870 3.309 ( 1.992 -5.227 -2.503) 6.128 3.324 ( -1.493 5.781 -0.269) 5.976 3.452 ( -3.502 -3.641 1.312) 5.219 3.511 ( 0.914 -2.322 -4.327) 4.995 3.547 ( 4.202 -3.688 -3.545) 6.620 3.855 ( 5.747 2.227 8.084) 10.165 3.900 ( 6.605 -1.783 8.597) 10.987 3.946 ( 8.159 5.160 -4.212) 10.532 4.037 ( 7.637 -2.849 -1.560) 8.299 4.303 ( 1.592 0.836 -0.229) 1.813 4.333 ( 2.294 -1.644 1.161) 3.051 4.626 ( -3.820 6.259 -2.798) 7.848 4.783 ( -3.199 -7.945 -4.918) 9.877 4.821 ( 0.931 4.654 -0.156) 4.749 4.897 ( -0.249 -2.080 0.959) 2.304 5.266 ( 0.630 3.547 0.349) 3.619 5.397 ( 3.471 -8.046 -2.354) 9.073 6.122 ( 6.984 10.554 6.019) 14.014 6.334 ( 8.175 -9.481 6.155) 13.950 6.510 ( -2.593 5.172 -0.601) 5.817 6.597 ( -1.293 -3.244 2.231) 4.144 6.931 ( -1.487 4.071 -3.651) 5.668 7.004 ( 1.116 -2.612 -3.684) 4.652 8.432 ( -3.216 0.717 -1.892) 3.799 8.453 ( -3.236 -1.295 -0.078) 3.486 8.659 ( -7.538 2.378 -0.894) 7.955 8.735 ( -7.613 -4.699 0.660) 8.971 9.107 ( -0.203 5.537 -2.336) 6.013 9.205 ( -3.086 -1.129 0.866) 3.398 9.273 ( 0.076 1.196 3.903) 4.083 9.327 ( -4.415 -3.539 -3.233) 6.517 9.633 ( 1.447 5.419 0.239) 5.614 9.743 ( 4.209 -4.083 0.548) 5.889 9.791 ( 8.354 5.179 -1.967) 10.024 9.918 ( 7.358 -6.787 -2.518) 10.322 10.110 ( 4.005 1.866 0.241) 4.425 10.152 ( 2.751 -2.028 -0.564) 3.464 12.699 ( 2.949 4.190 2.853) 5.864 12.777 ( 4.515 -3.007 1.833) 5.726 20.481 ( 1.807 3.600 -0.448) 4.053 20.534 ( 2.928 -0.562 0.901) 3.114 21.102 ( -3.976 0.964 -2.167) 4.630 21.148 ( -5.492 -2.703 -2.502) 6.613 21.253 ( -9.110 4.949 1.040) 10.420 21.369 ( -9.122 -4.194 2.853) 10.438 21.448 ( -5.230 3.099 -3.502) 7.016 21.532 ( -10.285 -3.719 -2.458) 11.209 22.588 ( 9.727 3.713 3.512) 10.988 22.692 ( 6.625 -5.851 4.071) 9.731 22.877 ( 0.576 1.058 1.161) 1.674 22.903 ( 0.623 -1.650 2.408) 2.984 24.045 ( 2.106 2.536 -1.358) 3.565 24.091 ( 2.946 -1.527 -1.887) 3.817 ======================= Grid point 116 (69/69) ======================= q-point: (-0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -7.107 8.370 -2.213) 11.202 1.042 ( -1.823 -11.143 -11.946) 16.437 1.096 ( -6.941 14.133 6.683) 17.104 1.158 ( 2.275 9.773 7.390) 12.461 1.357 ( -2.072 -7.181 8.007) 10.954 1.364 ( 2.153 -6.478 8.418) 10.838 1.486 ( -4.582 -5.011 -0.722) 6.828 1.496 ( -5.960 -3.267 -2.102) 7.114 1.643 ( 1.321 6.084 1.264) 6.353 1.695 ( 3.355 -0.775 -2.594) 4.311 1.732 ( -1.124 2.021 1.430) 2.719 1.806 ( -1.574 -1.476 0.018) 2.157 1.874 ( -2.077 2.911 -4.482) 5.734 1.936 ( -5.206 0.623 -4.531) 6.930 1.983 ( 0.471 -0.519 -1.662) 1.804 2.037 ( -1.395 -2.383 -0.311) 2.779 2.131 ( -1.039 1.585 -2.984) 3.535 2.191 ( -2.494 -2.924 -2.250) 4.454 2.228 ( -2.456 4.373 3.563) 6.152 2.287 ( -0.808 0.871 2.046) 2.366 2.316 ( 1.652 2.337 -3.899) 4.837 2.413 ( 0.774 -5.274 1.513) 5.541 2.486 ( 3.367 0.824 -0.064) 3.467 2.539 ( 3.078 -2.467 -0.229) 3.952 2.593 ( 2.213 3.840 -2.447) 5.063 2.613 ( 3.694 2.283 -0.208) 4.347 2.644 ( 2.704 -0.011 -0.460) 2.743 2.665 ( 3.387 -0.653 2.885) 4.497 2.718 ( -6.829 -0.278 0.843) 6.887 2.746 ( -4.346 -1.800 2.353) 5.260 2.841 ( 0.578 2.449 0.700) 2.612 2.878 ( 2.409 -1.267 3.695) 4.589 2.962 ( 0.158 3.084 -5.363) 6.188 3.015 ( 0.552 -1.275 -0.451) 1.461 3.099 ( -4.480 1.338 -2.528) 5.315 3.132 ( -3.592 -1.751 0.593) 4.039 3.182 ( -1.232 2.226 -5.339) 5.915 3.274 ( -1.237 -6.867 -4.336) 8.215 3.335 ( 0.462 3.245 2.293) 4.000 3.422 ( -2.012 -3.373 0.610) 3.975 3.493 ( 2.050 1.701 -2.854) 3.904 3.564 ( 3.114 -3.727 -4.401) 6.554 3.963 ( 2.793 4.062 0.709) 4.981 4.034 ( 2.635 -0.609 -0.018) 2.704 4.115 ( 9.300 1.012 5.302) 10.753 4.189 ( 8.027 -4.640 2.134) 9.514 4.351 ( 3.530 4.037 2.203) 5.797 4.412 ( 4.695 -1.206 2.667) 5.533 4.508 ( -5.325 2.642 -3.846) 7.080 4.620 ( -7.723 -6.682 -6.801) 12.270 4.842 ( 1.501 4.075 0.618) 4.386 4.902 ( -1.132 -1.634 1.454) 2.463 5.282 ( 0.745 3.736 0.544) 3.848 5.396 ( 1.201 -5.992 -4.368) 7.512 6.306 ( 5.095 7.973 5.890) 11.145 6.445 ( -1.016 -2.176 2.572) 3.519 6.493 ( -1.443 2.539 3.232) 4.356 6.613 ( 1.123 -5.601 1.320) 5.863 6.891 ( 1.085 4.911 -1.302) 5.196 7.005 ( 3.725 -4.739 -2.902) 6.690 8.359 ( -2.818 1.095 -1.793) 3.515 8.392 ( -4.087 -1.954 -0.520) 4.560 8.562 ( -3.368 3.206 0.627) 4.692 8.637 ( -5.054 -3.948 0.633) 6.444 9.082 ( -0.316 4.336 -1.068) 4.477 9.156 ( -3.652 0.145 1.278) 3.872 9.208 ( -4.600 1.136 -2.498) 5.356 9.299 ( 1.022 -6.030 -1.904) 6.406 9.667 ( 0.694 4.198 2.464) 4.917 9.777 ( 1.560 -4.702 -2.298) 5.461 9.908 ( 6.598 3.696 -0.840) 7.609 10.009 ( 5.861 -4.676 -2.015) 7.764 10.175 ( 2.463 1.324 0.558) 2.851 10.192 ( 3.186 -0.334 -0.682) 3.275 12.802 ( 3.889 5.244 4.905) 8.166 12.880 ( 4.503 -1.970 2.476) 5.503 20.479 ( -0.580 3.344 -1.626) 3.763 20.551 ( -0.717 -2.835 -2.051) 3.571 21.025 ( -2.540 0.807 -1.025) 2.856 21.041 ( -3.853 -0.280 0.134) 3.866 21.130 ( -4.682 1.511 -2.075) 5.339 21.194 ( -10.572 -4.241 0.328) 11.396 21.406 ( 0.001 1.949 -0.473) 2.006 21.425 ( -3.916 0.184 2.027) 4.413 22.748 ( 5.997 1.631 2.205) 6.595 22.802 ( 3.158 -3.209 1.921) 4.895 22.899 ( 0.366 1.282 1.233) 1.816 22.927 ( -1.024 -1.673 1.852) 2.698 24.075 ( 2.111 2.029 0.076) 2.929 24.126 ( 3.502 -2.512 -1.862) 4.695 =================== 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 3/20250 10.0 39.039 26.380 36.732 0.000 0.408 0.000 3/20250 20.0 8.840 6.434 7.917 0.000 0.481 0.000 3/20250 30.0 4.101 3.031 3.628 0.000 0.223 0.000 3/20250 40.0 2.569 1.901 2.266 0.000 0.138 0.000 3/20250 50.0 1.867 1.380 1.647 0.000 0.099 0.000 3/20250 60.0 1.474 1.089 1.302 0.000 0.077 0.000 3/20250 70.0 1.226 0.904 1.083 0.000 0.064 0.000 3/20250 80.0 1.054 0.777 0.931 0.000 0.055 0.000 3/20250 90.0 0.929 0.684 0.820 0.000 0.048 0.000 3/20250 100.0 0.834 0.613 0.734 0.000 0.043 0.000 3/20250 110.0 0.758 0.557 0.666 0.000 0.039 0.000 3/20250 120.0 0.697 0.511 0.611 0.000 0.035 0.000 3/20250 130.0 0.647 0.473 0.564 0.000 0.032 0.000 3/20250 140.0 0.604 0.441 0.525 0.000 0.030 0.000 3/20250 150.0 0.568 0.414 0.491 0.000 0.028 0.000 3/20250 160.0 0.537 0.390 0.462 0.000 0.026 0.000 3/20250 170.0 0.510 0.369 0.436 0.000 0.024 0.000 3/20250 180.0 0.486 0.350 0.413 0.000 0.023 0.000 3/20250 190.0 0.465 0.333 0.393 0.000 0.021 0.000 3/20250 200.0 0.447 0.319 0.374 0.000 0.020 0.000 3/20250 210.0 0.430 0.305 0.358 0.000 0.019 0.000 3/20250 220.0 0.415 0.293 0.342 0.000 0.018 0.000 3/20250 230.0 0.401 0.282 0.329 0.000 0.017 0.000 3/20250 240.0 0.388 0.271 0.316 0.000 0.016 0.000 3/20250 250.0 0.376 0.262 0.304 0.000 0.016 0.000 3/20250 260.0 0.365 0.253 0.293 0.000 0.015 0.000 3/20250 270.0 0.355 0.245 0.283 0.000 0.014 0.000 3/20250 280.0 0.345 0.237 0.274 0.000 0.014 0.000 3/20250 290.0 0.336 0.230 0.265 0.000 0.013 0.000 3/20250 300.0 0.328 0.224 0.257 0.000 0.013 0.000 3/20250 310.0 0.320 0.217 0.249 0.000 0.012 0.000 3/20250 320.0 0.312 0.211 0.242 0.000 0.012 0.000 3/20250 330.0 0.305 0.206 0.235 0.000 0.011 0.000 3/20250 340.0 0.298 0.201 0.229 0.000 0.011 0.000 3/20250 350.0 0.292 0.195 0.223 0.000 0.010 0.000 3/20250 360.0 0.285 0.191 0.217 0.000 0.010 0.000 3/20250 370.0 0.280 0.186 0.212 0.000 0.010 0.000 3/20250 380.0 0.274 0.182 0.206 0.000 0.010 0.000 3/20250 390.0 0.268 0.178 0.202 0.000 0.009 0.000 3/20250 400.0 0.263 0.174 0.197 0.000 0.009 0.000 3/20250 410.0 0.258 0.170 0.192 0.000 0.009 0.000 3/20250 420.0 0.253 0.166 0.188 0.000 0.008 0.000 3/20250 430.0 0.248 0.163 0.184 0.000 0.008 0.000 3/20250 440.0 0.244 0.160 0.180 0.000 0.008 0.000 3/20250 450.0 0.239 0.156 0.176 0.000 0.008 0.000 3/20250 460.0 0.235 0.153 0.173 0.000 0.008 0.000 3/20250 470.0 0.231 0.150 0.169 0.000 0.007 0.000 3/20250 480.0 0.227 0.148 0.166 0.000 0.007 0.000 3/20250 490.0 0.223 0.145 0.163 0.000 0.007 0.000 3/20250 500.0 0.219 0.142 0.160 0.000 0.007 0.000 3/20250 510.0 0.216 0.140 0.157 0.000 0.007 0.000 3/20250 520.0 0.212 0.137 0.154 0.000 0.007 0.000 3/20250 530.0 0.209 0.135 0.151 0.000 0.006 0.000 3/20250 540.0 0.206 0.133 0.148 0.000 0.006 0.000 3/20250 550.0 0.203 0.130 0.146 0.000 0.006 0.000 3/20250 560.0 0.199 0.128 0.143 0.000 0.006 0.000 3/20250 570.0 0.196 0.126 0.141 0.000 0.006 0.000 3/20250 580.0 0.194 0.124 0.139 0.000 0.006 0.000 3/20250 590.0 0.191 0.122 0.136 0.000 0.006 0.000 3/20250 600.0 0.188 0.120 0.134 0.000 0.006 0.000 3/20250 610.0 0.185 0.118 0.132 0.000 0.006 0.000 3/20250 620.0 0.183 0.117 0.130 0.000 0.005 0.000 3/20250 630.0 0.180 0.115 0.128 0.000 0.005 0.000 3/20250 640.0 0.178 0.113 0.126 0.000 0.005 0.000 3/20250 650.0 0.175 0.112 0.124 0.000 0.005 0.000 3/20250 660.0 0.173 0.110 0.122 0.000 0.005 0.000 3/20250 670.0 0.171 0.109 0.121 0.000 0.005 0.000 3/20250 680.0 0.168 0.107 0.119 0.000 0.005 0.000 3/20250 690.0 0.166 0.106 0.117 0.000 0.005 0.000 3/20250 700.0 0.164 0.104 0.116 0.000 0.005 0.000 3/20250 710.0 0.162 0.103 0.114 0.000 0.005 0.000 3/20250 720.0 0.160 0.101 0.113 0.000 0.005 0.000 3/20250 730.0 0.158 0.100 0.111 0.000 0.005 0.000 3/20250 740.0 0.156 0.099 0.110 0.000 0.004 0.000 3/20250 750.0 0.154 0.098 0.108 0.000 0.004 0.000 3/20250 760.0 0.152 0.096 0.107 0.000 0.004 0.000 3/20250 770.0 0.151 0.095 0.106 0.000 0.004 0.000 3/20250 780.0 0.149 0.094 0.104 0.000 0.004 0.000 3/20250 790.0 0.147 0.093 0.103 0.000 0.004 0.000 3/20250 800.0 0.145 0.092 0.102 0.000 0.004 0.000 3/20250 810.0 0.144 0.091 0.100 0.000 0.004 0.000 3/20250 820.0 0.142 0.090 0.099 0.000 0.004 0.000 3/20250 830.0 0.141 0.089 0.098 0.000 0.004 0.000 3/20250 840.0 0.139 0.088 0.097 0.000 0.004 0.000 3/20250 850.0 0.138 0.087 0.096 0.000 0.004 0.000 3/20250 860.0 0.136 0.086 0.095 0.000 0.004 0.000 3/20250 870.0 0.135 0.085 0.094 0.000 0.004 0.000 3/20250 880.0 0.133 0.084 0.093 0.000 0.004 0.000 3/20250 890.0 0.132 0.083 0.092 0.000 0.004 0.000 3/20250 900.0 0.130 0.082 0.091 0.000 0.004 0.000 3/20250 910.0 0.129 0.081 0.090 0.000 0.004 0.000 3/20250 920.0 0.128 0.080 0.089 0.000 0.004 0.000 3/20250 930.0 0.127 0.079 0.088 0.000 0.003 0.000 3/20250 940.0 0.125 0.079 0.087 0.000 0.003 0.000 3/20250 950.0 0.124 0.078 0.086 0.000 0.003 0.000 3/20250 960.0 0.123 0.077 0.085 0.000 0.003 0.000 3/20250 970.0 0.122 0.076 0.084 0.000 0.003 0.000 3/20250 980.0 0.121 0.076 0.083 0.000 0.003 0.000 3/20250 990.0 0.119 0.075 0.083 0.000 0.003 0.000 3/20250 1000.0 0.118 0.074 0.082 0.000 0.003 0.000 3/20250 Thermal conductivity related properties were written into "kappa-m955.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:11:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|