----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:06:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.696808089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.305563640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): *1 F 0.11444527426368 0.98813797484541 0.38393405841306 18.998 2 F 0.11444527426368 0.51186202515459 0.61606594158694 18.998 3 F 0.88555472573632 0.48813797484541 0.11606594158694 18.998 4 F 0.88555472573632 0.01186202515459 0.88393405841306 18.998 5 F 0.88555472573632 0.01186202515459 0.61606594158694 18.998 6 F 0.88555472573632 0.48813797484541 0.38393405841306 18.998 7 F 0.11444527426368 0.51186202515459 0.88393405841306 18.998 8 F 0.11444527426368 0.98813797484541 0.11606594158694 18.998 *9 F 0.10583645621795 0.20910992351132 0.25000000000000 18.998 10 F 0.10583645621795 0.29089007648868 0.75000000000000 18.998 11 F 0.89416354378205 0.70910992351132 0.25000000000000 18.998 12 F 0.89416354378205 0.79089007648868 0.75000000000000 18.998 *13 F 0.46257692163143 0.69289084027074 0.11474072760458 18.998 14 F 0.46257692163143 0.80710915972926 0.88525927239542 18.998 15 F 0.53742307836857 0.19289084027074 0.38525927239542 18.998 16 F 0.53742307836857 0.30710915972926 0.61474072760458 18.998 17 F 0.53742307836857 0.30710915972926 0.88525927239542 18.998 18 F 0.53742307836857 0.19289084027074 0.11474072760458 18.998 19 F 0.46257692163143 0.80710915972926 0.61474072760458 18.998 20 F 0.46257692163143 0.69289084027074 0.38525927239542 18.998 *21 Sb 0.60005969022677 0.94635777638533 0.75000000000000 121.760 22 Sb 0.60005969022677 0.55364222361467 0.25000000000000 121.760 23 Sb 0.39994030977322 0.44635777638532 0.75000000000000 121.760 24 Sb 0.39994030977322 0.05364222361468 0.25000000000000 121.760 *25 Ba 0.02339281004052 0.25000000000000 0.50000000000000 137.327 26 Ba 0.97660718995948 0.75000000000000 0.00000000000000 137.327 27 Ba 0.97660718995948 0.75000000000000 0.50000000000000 137.327 28 Ba 0.02339281004052 0.25000000000000 0.00000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.696808089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.305563640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): *1 F 0.11444527426368 0.98813797484541 0.38393405841306 18.998 > 1 2 F 0.11444527426368 0.51186202515459 0.61606594158694 18.998 > 2 3 F 0.88555472573632 0.48813797484541 0.11606594158694 18.998 > 3 4 F 0.88555472573632 0.01186202515459 0.88393405841306 18.998 > 4 5 F 0.88555472573632 0.01186202515459 0.61606594158694 18.998 > 5 6 F 0.88555472573632 0.48813797484541 0.38393405841306 18.998 > 6 7 F 0.11444527426368 0.51186202515459 0.88393405841306 18.998 > 7 8 F 0.11444527426368 0.98813797484541 0.11606594158694 18.998 > 8 *9 F 0.10583645621795 0.20910992351132 0.25000000000000 18.998 > 9 10 F 0.10583645621795 0.29089007648868 0.75000000000000 18.998 > 10 11 F 0.89416354378205 0.70910992351132 0.25000000000000 18.998 > 11 12 F 0.89416354378205 0.79089007648868 0.75000000000000 18.998 > 12 *13 F 0.46257692163143 0.69289084027074 0.11474072760458 18.998 > 13 14 F 0.46257692163143 0.80710915972926 0.88525927239542 18.998 > 14 15 F 0.53742307836857 0.19289084027074 0.38525927239542 18.998 > 15 16 F 0.53742307836857 0.30710915972926 0.61474072760458 18.998 > 16 17 F 0.53742307836857 0.30710915972926 0.88525927239542 18.998 > 17 18 F 0.53742307836857 0.19289084027074 0.11474072760458 18.998 > 18 19 F 0.46257692163143 0.80710915972926 0.61474072760458 18.998 > 19 20 F 0.46257692163143 0.69289084027074 0.38525927239542 18.998 > 20 *21 Sb 0.60005969022677 0.94635777638533 0.75000000000000 121.760 > 21 22 Sb 0.60005969022677 0.55364222361467 0.25000000000000 121.760 > 22 23 Sb 0.39994030977322 0.44635777638532 0.75000000000000 121.760 > 23 24 Sb 0.39994030977322 0.05364222361468 0.25000000000000 121.760 > 24 *25 Ba 0.02339281004052 0.25000000000000 0.50000000000000 137.327 > 25 26 Ba 0.97660718995948 0.75000000000000 0.00000000000000 137.327 > 26 27 Ba 0.97660718995948 0.75000000000000 0.50000000000000 137.327 > 27 28 Ba 0.02339281004052 0.25000000000000 0.00000000000000 137.327 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.393616179999999 0.000000000000000 0.000000000000000 b 0.000000000000000 18.611127280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): *1 F 0.05722263713184 0.49406898742270 0.38393405841306 18.998 > 1 2 F 0.55722263713184 0.49406898742270 0.38393405841306 18.998 > 1 3 F 0.05722263713184 0.99406898742270 0.38393405841306 18.998 > 1 4 F 0.55722263713184 0.99406898742270 0.38393405841306 18.998 > 1 5 F 0.05722263713184 0.25593101257730 0.61606594158694 18.998 > 2 6 F 0.55722263713184 0.25593101257730 0.61606594158694 18.998 > 2 7 F 0.05722263713184 0.75593101257730 0.61606594158694 18.998 > 2 8 F 0.55722263713184 0.75593101257730 0.61606594158694 18.998 > 2 9 F 0.44277736286816 0.24406898742270 0.11606594158694 18.998 > 3 10 F 0.94277736286816 0.24406898742270 0.11606594158694 18.998 > 3 11 F 0.44277736286816 0.74406898742270 0.11606594158694 18.998 > 3 12 F 0.94277736286816 0.74406898742270 0.11606594158694 18.998 > 3 13 F 0.44277736286816 0.00593101257730 0.88393405841306 18.998 > 4 14 F 0.94277736286816 0.00593101257730 0.88393405841306 18.998 > 4 15 F 0.44277736286816 0.50593101257730 0.88393405841306 18.998 > 4 16 F 0.94277736286816 0.50593101257730 0.88393405841306 18.998 > 4 17 F 0.44277736286816 0.00593101257730 0.61606594158694 18.998 > 5 18 F 0.94277736286816 0.00593101257730 0.61606594158694 18.998 > 5 19 F 0.44277736286816 0.50593101257730 0.61606594158694 18.998 > 5 20 F 0.94277736286816 0.50593101257730 0.61606594158694 18.998 > 5 21 F 0.44277736286816 0.24406898742270 0.38393405841306 18.998 > 6 22 F 0.94277736286816 0.24406898742270 0.38393405841306 18.998 > 6 23 F 0.44277736286816 0.74406898742270 0.38393405841306 18.998 > 6 24 F 0.94277736286816 0.74406898742270 0.38393405841306 18.998 > 6 25 F 0.05722263713184 0.25593101257730 0.88393405841306 18.998 > 7 26 F 0.55722263713184 0.25593101257730 0.88393405841306 18.998 > 7 27 F 0.05722263713184 0.75593101257730 0.88393405841306 18.998 > 7 28 F 0.55722263713184 0.75593101257730 0.88393405841306 18.998 > 7 29 F 0.05722263713184 0.49406898742270 0.11606594158694 18.998 > 8 30 F 0.55722263713184 0.49406898742270 0.11606594158694 18.998 > 8 31 F 0.05722263713184 0.99406898742270 0.11606594158694 18.998 > 8 32 F 0.55722263713184 0.99406898742270 0.11606594158694 18.998 > 8 *33 F 0.05291822810897 0.10455496175566 0.25000000000000 18.998 > 9 34 F 0.55291822810897 0.10455496175566 0.25000000000000 18.998 > 9 35 F 0.05291822810897 0.60455496175566 0.25000000000000 18.998 > 9 36 F 0.55291822810897 0.60455496175566 0.25000000000000 18.998 > 9 37 F 0.05291822810897 0.14544503824434 0.75000000000000 18.998 > 10 38 F 0.55291822810897 0.14544503824434 0.75000000000000 18.998 > 10 39 F 0.05291822810897 0.64544503824434 0.75000000000000 18.998 > 10 40 F 0.55291822810897 0.64544503824434 0.75000000000000 18.998 > 10 41 F 0.44708177189103 0.35455496175566 0.25000000000000 18.998 > 11 42 F 0.94708177189103 0.35455496175566 0.25000000000000 18.998 > 11 43 F 0.44708177189103 0.85455496175566 0.25000000000000 18.998 > 11 44 F 0.94708177189103 0.85455496175566 0.25000000000000 18.998 > 11 45 F 0.44708177189103 0.39544503824434 0.75000000000000 18.998 > 12 46 F 0.94708177189103 0.39544503824434 0.75000000000000 18.998 > 12 47 F 0.44708177189103 0.89544503824434 0.75000000000000 18.998 > 12 48 F 0.94708177189103 0.89544503824434 0.75000000000000 18.998 > 12 *49 F 0.23128846081571 0.34644542013537 0.11474072760458 18.998 > 13 50 F 0.73128846081571 0.34644542013537 0.11474072760458 18.998 > 13 51 F 0.23128846081571 0.84644542013537 0.11474072760458 18.998 > 13 52 F 0.73128846081571 0.84644542013537 0.11474072760458 18.998 > 13 53 F 0.23128846081571 0.40355457986463 0.88525927239542 18.998 > 14 54 F 0.73128846081571 0.40355457986463 0.88525927239542 18.998 > 14 55 F 0.23128846081571 0.90355457986463 0.88525927239542 18.998 > 14 56 F 0.73128846081571 0.90355457986463 0.88525927239542 18.998 > 14 57 F 0.26871153918429 0.09644542013537 0.38525927239542 18.998 > 15 58 F 0.76871153918429 0.09644542013537 0.38525927239542 18.998 > 15 59 F 0.26871153918429 0.59644542013537 0.38525927239542 18.998 > 15 60 F 0.76871153918429 0.59644542013537 0.38525927239542 18.998 > 15 61 F 0.26871153918429 0.15355457986463 0.61474072760458 18.998 > 16 62 F 0.76871153918429 0.15355457986463 0.61474072760458 18.998 > 16 63 F 0.26871153918429 0.65355457986463 0.61474072760458 18.998 > 16 64 F 0.76871153918429 0.65355457986463 0.61474072760458 18.998 > 16 65 F 0.26871153918429 0.15355457986463 0.88525927239542 18.998 > 17 66 F 0.76871153918429 0.15355457986463 0.88525927239542 18.998 > 17 67 F 0.26871153918429 0.65355457986463 0.88525927239542 18.998 > 17 68 F 0.76871153918429 0.65355457986463 0.88525927239542 18.998 > 17 69 F 0.26871153918429 0.09644542013537 0.11474072760458 18.998 > 18 70 F 0.76871153918429 0.09644542013537 0.11474072760458 18.998 > 18 71 F 0.26871153918429 0.59644542013537 0.11474072760458 18.998 > 18 72 F 0.76871153918429 0.59644542013537 0.11474072760458 18.998 > 18 73 F 0.23128846081571 0.40355457986463 0.61474072760458 18.998 > 19 74 F 0.73128846081571 0.40355457986463 0.61474072760458 18.998 > 19 75 F 0.23128846081571 0.90355457986463 0.61474072760458 18.998 > 19 76 F 0.73128846081571 0.90355457986463 0.61474072760458 18.998 > 19 77 F 0.23128846081571 0.34644542013537 0.38525927239542 18.998 > 20 78 F 0.73128846081571 0.34644542013537 0.38525927239542 18.998 > 20 79 F 0.23128846081571 0.84644542013537 0.38525927239542 18.998 > 20 80 F 0.73128846081571 0.84644542013537 0.38525927239542 18.998 > 20 *81 Sb 0.30002984511339 0.47317888819266 0.75000000000000 121.760 > 21 82 Sb 0.80002984511339 0.47317888819266 0.75000000000000 121.760 > 21 83 Sb 0.30002984511339 0.97317888819266 0.75000000000000 121.760 > 21 84 Sb 0.80002984511339 0.97317888819266 0.75000000000000 121.760 > 21 85 Sb 0.30002984511339 0.27682111180734 0.25000000000000 121.760 > 22 86 Sb 0.80002984511339 0.27682111180734 0.25000000000000 121.760 > 22 87 Sb 0.30002984511339 0.77682111180734 0.25000000000000 121.760 > 22 88 Sb 0.80002984511339 0.77682111180734 0.25000000000000 121.760 > 22 89 Sb 0.19997015488661 0.22317888819266 0.75000000000000 121.760 > 23 90 Sb 0.69997015488661 0.22317888819266 0.75000000000000 121.760 > 23 91 Sb 0.19997015488661 0.72317888819266 0.75000000000000 121.760 > 23 92 Sb 0.69997015488661 0.72317888819266 0.75000000000000 121.760 > 23 93 Sb 0.19997015488661 0.02682111180734 0.25000000000000 121.760 > 24 94 Sb 0.69997015488661 0.02682111180734 0.25000000000000 121.760 > 24 95 Sb 0.19997015488661 0.52682111180734 0.25000000000000 121.760 > 24 96 Sb 0.69997015488661 0.52682111180734 0.25000000000000 121.760 > 24 *97 Ba 0.01169640502026 0.12500000000000 0.50000000000000 137.327 > 25 98 Ba 0.51169640502026 0.12500000000000 0.50000000000000 137.327 > 25 99 Ba 0.01169640502026 0.62500000000000 0.50000000000000 137.327 > 25 100 Ba 0.51169640502026 0.62500000000000 0.50000000000000 137.327 > 25 101 Ba 0.48830359497974 0.37500000000000 0.00000000000000 137.327 > 26 102 Ba 0.98830359497974 0.37500000000000 0.00000000000000 137.327 > 26 103 Ba 0.48830359497974 0.87500000000000 0.00000000000000 137.327 > 26 104 Ba 0.98830359497974 0.87500000000000 0.00000000000000 137.327 > 26 105 Ba 0.48830359497974 0.37500000000000 0.50000000000000 137.327 > 27 106 Ba 0.98830359497974 0.37500000000000 0.50000000000000 137.327 > 27 107 Ba 0.48830359497974 0.87500000000000 0.50000000000000 137.327 > 27 108 Ba 0.98830359497974 0.87500000000000 0.50000000000000 137.327 > 27 109 Ba 0.01169640502026 0.12500000000000 0.00000000000000 137.327 > 28 110 Ba 0.51169640502026 0.12500000000000 0.00000000000000 137.327 > 28 111 Ba 0.01169640502026 0.62500000000000 0.00000000000000 137.327 > 28 112 Ba 0.51169640502026 0.62500000000000 0.00000000000000 137.327 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5334273 0.0000000 0.0000000 0.0000000 2.5264694 0.0000000 0.0000000 0.0000000 2.7012428 -------------------------- Born effective charges -------------------------- 1 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 2 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 3 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 4 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 5 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 6 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 7 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 8 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 9 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 10 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 11 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 12 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 13 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 14 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 15 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 16 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 17 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 18 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 19 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 20 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 21 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 22 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 23 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 24 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 25 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 26 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 27 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 28 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 420 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (364, 358), data: True |-- (420, 412), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.074 Solver_block: 200 / 480 - Time: 3.094 Solver_block: 300 / 480 - Time: 3.091 Solver_block: 400 / 480 - Time: 3.088 Solver_block: 480 / 480 - Time: 2.499 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.897 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 420 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (364, 358), data: True |-- (420, 412), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:07:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:07:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.696808089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.305563640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): 1 F 0.11444527426368 0.98813797484541 0.38393405841306 18.998 2 F 0.11444527426368 0.51186202515459 0.61606594158694 18.998 3 F 0.88555472573632 0.48813797484541 0.11606594158694 18.998 4 F 0.88555472573632 0.01186202515459 0.88393405841306 18.998 5 F 0.88555472573632 0.01186202515459 0.61606594158694 18.998 6 F 0.88555472573632 0.48813797484541 0.38393405841306 18.998 7 F 0.11444527426368 0.51186202515459 0.88393405841306 18.998 8 F 0.11444527426368 0.98813797484541 0.11606594158694 18.998 9 F 0.10583645621795 0.20910992351132 0.25000000000000 18.998 10 F 0.10583645621795 0.29089007648868 0.75000000000000 18.998 11 F 0.89416354378205 0.70910992351132 0.25000000000000 18.998 12 F 0.89416354378205 0.79089007648868 0.75000000000000 18.998 13 F 0.46257692163143 0.69289084027074 0.11474072760458 18.998 14 F 0.46257692163143 0.80710915972926 0.88525927239542 18.998 15 F 0.53742307836857 0.19289084027074 0.38525927239542 18.998 16 F 0.53742307836857 0.30710915972926 0.61474072760458 18.998 17 F 0.53742307836857 0.30710915972926 0.88525927239542 18.998 18 F 0.53742307836857 0.19289084027074 0.11474072760458 18.998 19 F 0.46257692163143 0.80710915972926 0.61474072760458 18.998 20 F 0.46257692163143 0.69289084027074 0.38525927239542 18.998 21 Sb 0.60005969022677 0.94635777638533 0.75000000000000 121.760 22 Sb 0.60005969022677 0.55364222361467 0.25000000000000 121.760 23 Sb 0.39994030977322 0.44635777638532 0.75000000000000 121.760 24 Sb 0.39994030977322 0.05364222361468 0.25000000000000 121.760 25 Ba 0.02339281004052 0.25000000000000 0.50000000000000 137.327 26 Ba 0.97660718995948 0.75000000000000 0.00000000000000 137.327 27 Ba 0.97660718995948 0.75000000000000 0.50000000000000 137.327 28 Ba 0.02339281004052 0.25000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.393616179999999 0.000000000000000 0.000000000000000 b 0.000000000000000 18.611127280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): 1 F 0.05722263713184 0.49406898742270 0.38393405841306 18.998 > 1 2 F 0.55722263713184 0.49406898742270 0.38393405841306 18.998 > 1 3 F 0.05722263713184 0.99406898742270 0.38393405841306 18.998 > 1 4 F 0.55722263713184 0.99406898742270 0.38393405841306 18.998 > 1 5 F 0.05722263713184 0.25593101257730 0.61606594158694 18.998 > 5 6 F 0.55722263713184 0.25593101257730 0.61606594158694 18.998 > 5 7 F 0.05722263713184 0.75593101257730 0.61606594158694 18.998 > 5 8 F 0.55722263713184 0.75593101257730 0.61606594158694 18.998 > 5 9 F 0.44277736286816 0.24406898742270 0.11606594158694 18.998 > 9 10 F 0.94277736286816 0.24406898742270 0.11606594158694 18.998 > 9 11 F 0.44277736286816 0.74406898742270 0.11606594158694 18.998 > 9 12 F 0.94277736286816 0.74406898742270 0.11606594158694 18.998 > 9 13 F 0.44277736286816 0.00593101257730 0.88393405841306 18.998 > 13 14 F 0.94277736286816 0.00593101257730 0.88393405841306 18.998 > 13 15 F 0.44277736286816 0.50593101257730 0.88393405841306 18.998 > 13 16 F 0.94277736286816 0.50593101257730 0.88393405841306 18.998 > 13 17 F 0.44277736286816 0.00593101257730 0.61606594158694 18.998 > 17 18 F 0.94277736286816 0.00593101257730 0.61606594158694 18.998 > 17 19 F 0.44277736286816 0.50593101257730 0.61606594158694 18.998 > 17 20 F 0.94277736286816 0.50593101257730 0.61606594158694 18.998 > 17 21 F 0.44277736286816 0.24406898742270 0.38393405841306 18.998 > 21 22 F 0.94277736286816 0.24406898742270 0.38393405841306 18.998 > 21 23 F 0.44277736286816 0.74406898742270 0.38393405841306 18.998 > 21 24 F 0.94277736286816 0.74406898742270 0.38393405841306 18.998 > 21 25 F 0.05722263713184 0.25593101257730 0.88393405841306 18.998 > 25 26 F 0.55722263713184 0.25593101257730 0.88393405841306 18.998 > 25 27 F 0.05722263713184 0.75593101257730 0.88393405841306 18.998 > 25 28 F 0.55722263713184 0.75593101257730 0.88393405841306 18.998 > 25 29 F 0.05722263713184 0.49406898742270 0.11606594158694 18.998 > 29 30 F 0.55722263713184 0.49406898742270 0.11606594158694 18.998 > 29 31 F 0.05722263713184 0.99406898742270 0.11606594158694 18.998 > 29 32 F 0.55722263713184 0.99406898742270 0.11606594158694 18.998 > 29 33 F 0.05291822810897 0.10455496175566 0.25000000000000 18.998 > 33 34 F 0.55291822810897 0.10455496175566 0.25000000000000 18.998 > 33 35 F 0.05291822810897 0.60455496175566 0.25000000000000 18.998 > 33 36 F 0.55291822810897 0.60455496175566 0.25000000000000 18.998 > 33 37 F 0.05291822810897 0.14544503824434 0.75000000000000 18.998 > 37 38 F 0.55291822810897 0.14544503824434 0.75000000000000 18.998 > 37 39 F 0.05291822810897 0.64544503824434 0.75000000000000 18.998 > 37 40 F 0.55291822810897 0.64544503824434 0.75000000000000 18.998 > 37 41 F 0.44708177189103 0.35455496175566 0.25000000000000 18.998 > 41 42 F 0.94708177189103 0.35455496175566 0.25000000000000 18.998 > 41 43 F 0.44708177189103 0.85455496175566 0.25000000000000 18.998 > 41 44 F 0.94708177189103 0.85455496175566 0.25000000000000 18.998 > 41 45 F 0.44708177189103 0.39544503824434 0.75000000000000 18.998 > 45 46 F 0.94708177189103 0.39544503824434 0.75000000000000 18.998 > 45 47 F 0.44708177189103 0.89544503824434 0.75000000000000 18.998 > 45 48 F 0.94708177189103 0.89544503824434 0.75000000000000 18.998 > 45 49 F 0.23128846081571 0.34644542013537 0.11474072760458 18.998 > 49 50 F 0.73128846081571 0.34644542013537 0.11474072760458 18.998 > 49 51 F 0.23128846081571 0.84644542013537 0.11474072760458 18.998 > 49 52 F 0.73128846081571 0.84644542013537 0.11474072760458 18.998 > 49 53 F 0.23128846081571 0.40355457986463 0.88525927239542 18.998 > 53 54 F 0.73128846081571 0.40355457986463 0.88525927239542 18.998 > 53 55 F 0.23128846081571 0.90355457986463 0.88525927239542 18.998 > 53 56 F 0.73128846081571 0.90355457986463 0.88525927239542 18.998 > 53 57 F 0.26871153918429 0.09644542013537 0.38525927239542 18.998 > 57 58 F 0.76871153918429 0.09644542013537 0.38525927239542 18.998 > 57 59 F 0.26871153918429 0.59644542013537 0.38525927239542 18.998 > 57 60 F 0.76871153918429 0.59644542013537 0.38525927239542 18.998 > 57 61 F 0.26871153918429 0.15355457986463 0.61474072760458 18.998 > 61 62 F 0.76871153918429 0.15355457986463 0.61474072760458 18.998 > 61 63 F 0.26871153918429 0.65355457986463 0.61474072760458 18.998 > 61 64 F 0.76871153918429 0.65355457986463 0.61474072760458 18.998 > 61 65 F 0.26871153918429 0.15355457986463 0.88525927239542 18.998 > 65 66 F 0.76871153918429 0.15355457986463 0.88525927239542 18.998 > 65 67 F 0.26871153918429 0.65355457986463 0.88525927239542 18.998 > 65 68 F 0.76871153918429 0.65355457986463 0.88525927239542 18.998 > 65 69 F 0.26871153918429 0.09644542013537 0.11474072760458 18.998 > 69 70 F 0.76871153918429 0.09644542013537 0.11474072760458 18.998 > 69 71 F 0.26871153918429 0.59644542013537 0.11474072760458 18.998 > 69 72 F 0.76871153918429 0.59644542013537 0.11474072760458 18.998 > 69 73 F 0.23128846081571 0.40355457986463 0.61474072760458 18.998 > 73 74 F 0.73128846081571 0.40355457986463 0.61474072760458 18.998 > 73 75 F 0.23128846081571 0.90355457986463 0.61474072760458 18.998 > 73 76 F 0.73128846081571 0.90355457986463 0.61474072760458 18.998 > 73 77 F 0.23128846081571 0.34644542013537 0.38525927239542 18.998 > 77 78 F 0.73128846081571 0.34644542013537 0.38525927239542 18.998 > 77 79 F 0.23128846081571 0.84644542013537 0.38525927239542 18.998 > 77 80 F 0.73128846081571 0.84644542013537 0.38525927239542 18.998 > 77 81 Sb 0.30002984511339 0.47317888819266 0.75000000000000 121.760 > 81 82 Sb 0.80002984511339 0.47317888819266 0.75000000000000 121.760 > 81 83 Sb 0.30002984511339 0.97317888819266 0.75000000000000 121.760 > 81 84 Sb 0.80002984511339 0.97317888819266 0.75000000000000 121.760 > 81 85 Sb 0.30002984511339 0.27682111180734 0.25000000000000 121.760 > 85 86 Sb 0.80002984511339 0.27682111180734 0.25000000000000 121.760 > 85 87 Sb 0.30002984511339 0.77682111180734 0.25000000000000 121.760 > 85 88 Sb 0.80002984511339 0.77682111180734 0.25000000000000 121.760 > 85 89 Sb 0.19997015488661 0.22317888819266 0.75000000000000 121.760 > 89 90 Sb 0.69997015488661 0.22317888819266 0.75000000000000 121.760 > 89 91 Sb 0.19997015488661 0.72317888819266 0.75000000000000 121.760 > 89 92 Sb 0.69997015488661 0.72317888819266 0.75000000000000 121.760 > 89 93 Sb 0.19997015488661 0.02682111180734 0.25000000000000 121.760 > 93 94 Sb 0.69997015488661 0.02682111180734 0.25000000000000 121.760 > 93 95 Sb 0.19997015488661 0.52682111180734 0.25000000000000 121.760 > 93 96 Sb 0.69997015488661 0.52682111180734 0.25000000000000 121.760 > 93 97 Ba 0.01169640502026 0.12500000000000 0.50000000000000 137.327 > 97 98 Ba 0.51169640502026 0.12500000000000 0.50000000000000 137.327 > 97 99 Ba 0.01169640502026 0.62500000000000 0.50000000000000 137.327 > 97 100 Ba 0.51169640502026 0.62500000000000 0.50000000000000 137.327 > 97 101 Ba 0.48830359497974 0.37500000000000 0.00000000000000 137.327 > 101 102 Ba 0.98830359497974 0.37500000000000 0.00000000000000 137.327 > 101 103 Ba 0.48830359497974 0.87500000000000 0.00000000000000 137.327 > 101 104 Ba 0.98830359497974 0.87500000000000 0.00000000000000 137.327 > 101 105 Ba 0.48830359497974 0.37500000000000 0.50000000000000 137.327 > 105 106 Ba 0.98830359497974 0.37500000000000 0.50000000000000 137.327 > 105 107 Ba 0.48830359497974 0.87500000000000 0.50000000000000 137.327 > 105 108 Ba 0.98830359497974 0.87500000000000 0.50000000000000 137.327 > 105 109 Ba 0.01169640502026 0.12500000000000 0.00000000000000 137.327 > 109 110 Ba 0.51169640502026 0.12500000000000 0.00000000000000 137.327 > 109 111 Ba 0.01169640502026 0.62500000000000 0.00000000000000 137.327 > 109 112 Ba 0.51169640502026 0.62500000000000 0.00000000000000 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5334273 0.0000000 0.0000000 0.0000000 2.5264694 0.0000000 0.0000000 0.0000000 2.7012428 -------------------------- Born effective charges -------------------------- 1 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 2 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 3 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 4 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 5 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 6 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 7 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 8 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 9 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 10 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 11 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 12 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 13 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 14 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 15 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 16 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 17 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 18 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 19 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 20 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 21 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 22 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 23 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 24 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 25 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 26 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 27 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 28 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000022 (xxx) -0.00000022 (xxx) -0.00000022 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:07:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:07:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.696808089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.305563640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): 1 F 0.11444527426368 0.98813797484541 0.38393405841306 18.998 2 F 0.11444527426368 0.51186202515459 0.61606594158694 18.998 3 F 0.88555472573632 0.48813797484541 0.11606594158694 18.998 4 F 0.88555472573632 0.01186202515459 0.88393405841306 18.998 5 F 0.88555472573632 0.01186202515459 0.61606594158694 18.998 6 F 0.88555472573632 0.48813797484541 0.38393405841306 18.998 7 F 0.11444527426368 0.51186202515459 0.88393405841306 18.998 8 F 0.11444527426368 0.98813797484541 0.11606594158694 18.998 9 F 0.10583645621795 0.20910992351132 0.25000000000000 18.998 10 F 0.10583645621795 0.29089007648868 0.75000000000000 18.998 11 F 0.89416354378205 0.70910992351132 0.25000000000000 18.998 12 F 0.89416354378205 0.79089007648868 0.75000000000000 18.998 13 F 0.46257692163143 0.69289084027074 0.11474072760458 18.998 14 F 0.46257692163143 0.80710915972926 0.88525927239542 18.998 15 F 0.53742307836857 0.19289084027074 0.38525927239542 18.998 16 F 0.53742307836857 0.30710915972926 0.61474072760458 18.998 17 F 0.53742307836857 0.30710915972926 0.88525927239542 18.998 18 F 0.53742307836857 0.19289084027074 0.11474072760458 18.998 19 F 0.46257692163143 0.80710915972926 0.61474072760458 18.998 20 F 0.46257692163143 0.69289084027074 0.38525927239542 18.998 21 Sb 0.60005969022677 0.94635777638533 0.75000000000000 121.760 22 Sb 0.60005969022677 0.55364222361467 0.25000000000000 121.760 23 Sb 0.39994030977322 0.44635777638532 0.75000000000000 121.760 24 Sb 0.39994030977322 0.05364222361468 0.25000000000000 121.760 25 Ba 0.02339281004052 0.25000000000000 0.50000000000000 137.327 26 Ba 0.97660718995948 0.75000000000000 0.00000000000000 137.327 27 Ba 0.97660718995948 0.75000000000000 0.50000000000000 137.327 28 Ba 0.02339281004052 0.25000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.393616179999999 0.000000000000000 0.000000000000000 b 0.000000000000000 18.611127280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.254482590000000 Atomic positions (fractional): 1 F 0.05722263713184 0.49406898742270 0.38393405841306 18.998 > 1 2 F 0.55722263713184 0.49406898742270 0.38393405841306 18.998 > 1 3 F 0.05722263713184 0.99406898742270 0.38393405841306 18.998 > 1 4 F 0.55722263713184 0.99406898742270 0.38393405841306 18.998 > 1 5 F 0.05722263713184 0.25593101257730 0.61606594158694 18.998 > 5 6 F 0.55722263713184 0.25593101257730 0.61606594158694 18.998 > 5 7 F 0.05722263713184 0.75593101257730 0.61606594158694 18.998 > 5 8 F 0.55722263713184 0.75593101257730 0.61606594158694 18.998 > 5 9 F 0.44277736286816 0.24406898742270 0.11606594158694 18.998 > 9 10 F 0.94277736286816 0.24406898742270 0.11606594158694 18.998 > 9 11 F 0.44277736286816 0.74406898742270 0.11606594158694 18.998 > 9 12 F 0.94277736286816 0.74406898742270 0.11606594158694 18.998 > 9 13 F 0.44277736286816 0.00593101257730 0.88393405841306 18.998 > 13 14 F 0.94277736286816 0.00593101257730 0.88393405841306 18.998 > 13 15 F 0.44277736286816 0.50593101257730 0.88393405841306 18.998 > 13 16 F 0.94277736286816 0.50593101257730 0.88393405841306 18.998 > 13 17 F 0.44277736286816 0.00593101257730 0.61606594158694 18.998 > 17 18 F 0.94277736286816 0.00593101257730 0.61606594158694 18.998 > 17 19 F 0.44277736286816 0.50593101257730 0.61606594158694 18.998 > 17 20 F 0.94277736286816 0.50593101257730 0.61606594158694 18.998 > 17 21 F 0.44277736286816 0.24406898742270 0.38393405841306 18.998 > 21 22 F 0.94277736286816 0.24406898742270 0.38393405841306 18.998 > 21 23 F 0.44277736286816 0.74406898742270 0.38393405841306 18.998 > 21 24 F 0.94277736286816 0.74406898742270 0.38393405841306 18.998 > 21 25 F 0.05722263713184 0.25593101257730 0.88393405841306 18.998 > 25 26 F 0.55722263713184 0.25593101257730 0.88393405841306 18.998 > 25 27 F 0.05722263713184 0.75593101257730 0.88393405841306 18.998 > 25 28 F 0.55722263713184 0.75593101257730 0.88393405841306 18.998 > 25 29 F 0.05722263713184 0.49406898742270 0.11606594158694 18.998 > 29 30 F 0.55722263713184 0.49406898742270 0.11606594158694 18.998 > 29 31 F 0.05722263713184 0.99406898742270 0.11606594158694 18.998 > 29 32 F 0.55722263713184 0.99406898742270 0.11606594158694 18.998 > 29 33 F 0.05291822810897 0.10455496175566 0.25000000000000 18.998 > 33 34 F 0.55291822810897 0.10455496175566 0.25000000000000 18.998 > 33 35 F 0.05291822810897 0.60455496175566 0.25000000000000 18.998 > 33 36 F 0.55291822810897 0.60455496175566 0.25000000000000 18.998 > 33 37 F 0.05291822810897 0.14544503824434 0.75000000000000 18.998 > 37 38 F 0.55291822810897 0.14544503824434 0.75000000000000 18.998 > 37 39 F 0.05291822810897 0.64544503824434 0.75000000000000 18.998 > 37 40 F 0.55291822810897 0.64544503824434 0.75000000000000 18.998 > 37 41 F 0.44708177189103 0.35455496175566 0.25000000000000 18.998 > 41 42 F 0.94708177189103 0.35455496175566 0.25000000000000 18.998 > 41 43 F 0.44708177189103 0.85455496175566 0.25000000000000 18.998 > 41 44 F 0.94708177189103 0.85455496175566 0.25000000000000 18.998 > 41 45 F 0.44708177189103 0.39544503824434 0.75000000000000 18.998 > 45 46 F 0.94708177189103 0.39544503824434 0.75000000000000 18.998 > 45 47 F 0.44708177189103 0.89544503824434 0.75000000000000 18.998 > 45 48 F 0.94708177189103 0.89544503824434 0.75000000000000 18.998 > 45 49 F 0.23128846081571 0.34644542013537 0.11474072760458 18.998 > 49 50 F 0.73128846081571 0.34644542013537 0.11474072760458 18.998 > 49 51 F 0.23128846081571 0.84644542013537 0.11474072760458 18.998 > 49 52 F 0.73128846081571 0.84644542013537 0.11474072760458 18.998 > 49 53 F 0.23128846081571 0.40355457986463 0.88525927239542 18.998 > 53 54 F 0.73128846081571 0.40355457986463 0.88525927239542 18.998 > 53 55 F 0.23128846081571 0.90355457986463 0.88525927239542 18.998 > 53 56 F 0.73128846081571 0.90355457986463 0.88525927239542 18.998 > 53 57 F 0.26871153918429 0.09644542013537 0.38525927239542 18.998 > 57 58 F 0.76871153918429 0.09644542013537 0.38525927239542 18.998 > 57 59 F 0.26871153918429 0.59644542013537 0.38525927239542 18.998 > 57 60 F 0.76871153918429 0.59644542013537 0.38525927239542 18.998 > 57 61 F 0.26871153918429 0.15355457986463 0.61474072760458 18.998 > 61 62 F 0.76871153918429 0.15355457986463 0.61474072760458 18.998 > 61 63 F 0.26871153918429 0.65355457986463 0.61474072760458 18.998 > 61 64 F 0.76871153918429 0.65355457986463 0.61474072760458 18.998 > 61 65 F 0.26871153918429 0.15355457986463 0.88525927239542 18.998 > 65 66 F 0.76871153918429 0.15355457986463 0.88525927239542 18.998 > 65 67 F 0.26871153918429 0.65355457986463 0.88525927239542 18.998 > 65 68 F 0.76871153918429 0.65355457986463 0.88525927239542 18.998 > 65 69 F 0.26871153918429 0.09644542013537 0.11474072760458 18.998 > 69 70 F 0.76871153918429 0.09644542013537 0.11474072760458 18.998 > 69 71 F 0.26871153918429 0.59644542013537 0.11474072760458 18.998 > 69 72 F 0.76871153918429 0.59644542013537 0.11474072760458 18.998 > 69 73 F 0.23128846081571 0.40355457986463 0.61474072760458 18.998 > 73 74 F 0.73128846081571 0.40355457986463 0.61474072760458 18.998 > 73 75 F 0.23128846081571 0.90355457986463 0.61474072760458 18.998 > 73 76 F 0.73128846081571 0.90355457986463 0.61474072760458 18.998 > 73 77 F 0.23128846081571 0.34644542013537 0.38525927239542 18.998 > 77 78 F 0.73128846081571 0.34644542013537 0.38525927239542 18.998 > 77 79 F 0.23128846081571 0.84644542013537 0.38525927239542 18.998 > 77 80 F 0.73128846081571 0.84644542013537 0.38525927239542 18.998 > 77 81 Sb 0.30002984511339 0.47317888819266 0.75000000000000 121.760 > 81 82 Sb 0.80002984511339 0.47317888819266 0.75000000000000 121.760 > 81 83 Sb 0.30002984511339 0.97317888819266 0.75000000000000 121.760 > 81 84 Sb 0.80002984511339 0.97317888819266 0.75000000000000 121.760 > 81 85 Sb 0.30002984511339 0.27682111180734 0.25000000000000 121.760 > 85 86 Sb 0.80002984511339 0.27682111180734 0.25000000000000 121.760 > 85 87 Sb 0.30002984511339 0.77682111180734 0.25000000000000 121.760 > 85 88 Sb 0.80002984511339 0.77682111180734 0.25000000000000 121.760 > 85 89 Sb 0.19997015488661 0.22317888819266 0.75000000000000 121.760 > 89 90 Sb 0.69997015488661 0.22317888819266 0.75000000000000 121.760 > 89 91 Sb 0.19997015488661 0.72317888819266 0.75000000000000 121.760 > 89 92 Sb 0.69997015488661 0.72317888819266 0.75000000000000 121.760 > 89 93 Sb 0.19997015488661 0.02682111180734 0.25000000000000 121.760 > 93 94 Sb 0.69997015488661 0.02682111180734 0.25000000000000 121.760 > 93 95 Sb 0.19997015488661 0.52682111180734 0.25000000000000 121.760 > 93 96 Sb 0.69997015488661 0.52682111180734 0.25000000000000 121.760 > 93 97 Ba 0.01169640502026 0.12500000000000 0.50000000000000 137.327 > 97 98 Ba 0.51169640502026 0.12500000000000 0.50000000000000 137.327 > 97 99 Ba 0.01169640502026 0.62500000000000 0.50000000000000 137.327 > 97 100 Ba 0.51169640502026 0.62500000000000 0.50000000000000 137.327 > 97 101 Ba 0.48830359497974 0.37500000000000 0.00000000000000 137.327 > 101 102 Ba 0.98830359497974 0.37500000000000 0.00000000000000 137.327 > 101 103 Ba 0.48830359497974 0.87500000000000 0.00000000000000 137.327 > 101 104 Ba 0.98830359497974 0.87500000000000 0.00000000000000 137.327 > 101 105 Ba 0.48830359497974 0.37500000000000 0.50000000000000 137.327 > 105 106 Ba 0.98830359497974 0.37500000000000 0.50000000000000 137.327 > 105 107 Ba 0.48830359497974 0.87500000000000 0.50000000000000 137.327 > 105 108 Ba 0.98830359497974 0.87500000000000 0.50000000000000 137.327 > 105 109 Ba 0.01169640502026 0.12500000000000 0.00000000000000 137.327 > 109 110 Ba 0.51169640502026 0.12500000000000 0.00000000000000 137.327 > 109 111 Ba 0.01169640502026 0.62500000000000 0.00000000000000 137.327 > 109 112 Ba 0.51169640502026 0.62500000000000 0.00000000000000 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5334273 0.0000000 0.0000000 0.0000000 2.5264694 0.0000000 0.0000000 0.0000000 2.7012428 -------------------------- Born effective charges -------------------------- 1 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 2 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 3 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 4 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 5 F -1.2164644 -0.1579702 0.6574198 -0.3649624 -1.1562489 0.4403393 0.7470488 0.2647471 -1.4708719 6 F -1.2164644 0.1579702 -0.6574198 0.3649624 -1.1562489 0.4403393 -0.7470488 0.2647471 -1.4708719 7 F -1.2164644 0.1579702 0.6574198 0.3649624 -1.1562489 -0.4403393 0.7470488 -0.2647471 -1.4708719 8 F -1.2164644 -0.1579702 -0.6574198 -0.3649624 -1.1562489 -0.4403393 -0.7470488 -0.2647471 -1.4708719 9 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 10 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 11 F -1.1195954 -0.4247389 0.0000000 -0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 12 F -1.1195954 0.4247389 0.0000000 0.4069915 -1.1086136 0.0000000 0.0000000 0.0000000 -1.0583070 13 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 14 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 15 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 16 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 17 F -1.1582998 0.3200677 -0.3557176 0.1964767 -1.1859429 0.6598428 -0.2680945 0.7267683 -1.4816599 18 F -1.1582998 -0.3200677 0.3557176 -0.1964767 -1.1859429 0.6598428 0.2680945 0.7267683 -1.4816599 19 F -1.1582998 -0.3200677 -0.3557176 -0.1964767 -1.1859429 -0.6598428 -0.2680945 -0.7267683 -1.4816599 20 F -1.1582998 0.3200677 0.3557176 0.1964767 -1.1859429 -0.6598428 0.2680945 -0.7267683 -1.4816599 21 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 22 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 23 Sb 3.2161819 -0.4186092 0.0000000 -0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 24 Sb 3.2161819 0.4186092 0.0000000 0.5256505 3.1329193 0.0000000 0.0000000 0.0000000 3.9804342 25 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 26 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 27 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 0.1093868 0.0000000 0.0975465 2.9829363 28 Ba 2.6529421 0.0000000 0.0000000 0.0000000 2.6600778 -0.1093868 0.0000000 -0.0975465 2.9829363 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000022 (xxx) -0.00000022 (xxx) -0.00000022 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 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 0.978 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.915 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.366 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 15.072 ( 0.000 0.000 0.000) 0.000 15.183 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 16.791 0.000 0.000) 16.791 0.457 ( 22.909 0.000 0.000) 22.909 0.573 ( 26.585 0.000 0.000) 26.585 0.930 ( -4.748 0.000 0.000) 4.748 1.252 ( 17.564 0.000 0.000) 17.564 1.483 ( -7.219 0.000 0.000) 7.219 1.563 ( 6.805 0.000 0.000) 6.805 1.612 ( 4.600 0.000 0.000) 4.600 1.642 ( -2.245 0.000 0.000) 2.245 1.689 ( 1.463 0.000 0.000) 1.463 1.992 ( 1.499 0.000 0.000) 1.499 2.066 ( -1.315 0.000 0.000) 1.315 2.154 ( 8.129 0.000 0.000) 8.129 2.315 ( -4.737 0.000 0.000) 4.737 2.424 ( -0.383 0.000 0.000) 0.383 2.617 ( -3.977 0.000 0.000) 3.977 2.676 ( 1.204 0.000 0.000) 1.204 2.738 ( 0.217 0.000 0.000) 0.217 2.865 ( 2.856 0.000 0.000) 2.856 2.960 ( -0.614 0.000 0.000) 0.614 2.971 ( -2.555 0.000 0.000) 2.555 3.011 ( -1.268 0.000 0.000) 1.268 3.054 ( 1.808 0.000 0.000) 1.808 3.159 ( -2.324 0.000 0.000) 2.324 3.297 ( -0.948 0.000 0.000) 0.948 3.306 ( -2.567 0.000 0.000) 2.567 3.376 ( 2.192 0.000 0.000) 2.192 3.485 ( -2.697 0.000 0.000) 2.697 3.553 ( 1.153 0.000 0.000) 1.153 3.650 ( 4.786 0.000 0.000) 4.786 3.662 ( 1.855 0.000 0.000) 1.855 3.701 ( -0.394 0.000 0.000) 0.394 3.770 ( -1.573 0.000 0.000) 1.573 3.776 ( 7.140 0.000 0.000) 7.140 4.040 ( -6.562 0.000 0.000) 6.562 4.061 ( -1.234 0.000 0.000) 1.234 4.233 ( 2.492 0.000 0.000) 2.492 4.633 ( -1.738 0.000 0.000) 1.738 4.815 ( -0.495 0.000 0.000) 0.495 5.140 ( 0.606 0.000 0.000) 0.606 5.737 ( -1.626 0.000 0.000) 1.626 5.746 ( 0.024 0.000 0.000) 0.024 5.880 ( -1.805 0.000 0.000) 1.805 5.905 ( 0.372 0.000 0.000) 0.372 6.011 ( -0.237 0.000 0.000) 0.237 6.171 ( -1.677 0.000 0.000) 1.677 6.216 ( -0.136 0.000 0.000) 0.136 6.454 ( -4.348 0.000 0.000) 4.348 6.551 ( -3.532 0.000 0.000) 3.532 6.630 ( -2.198 0.000 0.000) 2.198 6.640 ( -3.293 0.000 0.000) 3.293 6.809 ( -1.035 0.000 0.000) 1.035 7.819 ( 1.163 0.000 0.000) 1.163 7.981 ( 6.568 0.000 0.000) 6.568 7.995 ( 5.412 0.000 0.000) 5.412 8.190 ( 3.051 0.000 0.000) 3.051 8.545 ( 0.843 0.000 0.000) 0.843 8.823 ( -0.515 0.000 0.000) 0.515 8.886 ( -2.312 0.000 0.000) 2.312 8.961 ( -2.058 0.000 0.000) 2.058 9.176 ( 0.036 0.000 0.000) 0.036 9.231 ( -0.509 0.000 0.000) 0.509 9.405 ( -0.121 0.000 0.000) 0.121 10.049 ( 0.394 0.000 0.000) 0.394 10.226 ( 1.694 0.000 0.000) 1.694 10.683 ( -1.366 0.000 0.000) 1.366 10.739 ( -3.429 0.000 0.000) 3.429 10.808 ( 1.935 0.000 0.000) 1.935 10.928 ( 0.376 0.000 0.000) 0.376 11.002 ( 1.333 0.000 0.000) 1.333 11.053 ( -2.992 0.000 0.000) 2.992 11.645 ( -1.813 0.000 0.000) 1.813 11.802 ( -3.544 0.000 0.000) 3.544 12.133 ( -1.787 0.000 0.000) 1.787 12.222 ( 1.471 0.000 0.000) 1.471 12.410 ( 3.453 0.000 0.000) 3.453 12.517 ( -5.088 0.000 0.000) 5.088 12.587 ( -1.325 0.000 0.000) 1.325 13.921 ( -6.020 0.000 0.000) 6.020 14.122 ( -11.920 0.000 0.000) 11.920 15.086 ( 1.484 0.000 0.000) 1.484 15.199 ( 1.649 0.000 0.000) 1.649 15.515 ( -0.767 0.000 0.000) 0.767 15.942 ( -2.631 0.000 0.000) 2.631 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 12.302 0.000 0.000) 12.302 0.821 ( -4.170 0.000 0.000) 4.170 0.875 ( 19.989 0.000 0.000) 19.989 0.929 ( 7.658 0.000 0.000) 7.658 1.336 ( -6.770 0.000 0.000) 6.770 1.511 ( 2.192 0.000 0.000) 2.192 1.693 ( 13.137 0.000 0.000) 13.137 1.726 ( 7.894 0.000 0.000) 7.894 1.755 ( 11.537 0.000 0.000) 11.537 1.799 ( 11.101 0.000 0.000) 11.101 2.001 ( -5.093 0.000 0.000) 5.093 2.052 ( 4.141 0.000 0.000) 4.141 2.192 ( -7.776 0.000 0.000) 7.776 2.325 ( 8.804 0.000 0.000) 8.804 2.420 ( 0.228 0.000 0.000) 0.228 2.525 ( -4.900 0.000 0.000) 4.900 2.705 ( 1.453 0.000 0.000) 1.453 2.738 ( -0.565 0.000 0.000) 0.565 2.905 ( -4.609 0.000 0.000) 4.609 2.906 ( 0.973 0.000 0.000) 0.973 2.953 ( 0.053 0.000 0.000) 0.053 2.968 ( -2.633 0.000 0.000) 2.633 3.112 ( -2.297 0.000 0.000) 2.297 3.120 ( 5.204 0.000 0.000) 5.204 3.270 ( -1.125 0.000 0.000) 1.125 3.282 ( 0.237 0.000 0.000) 0.237 3.433 ( -2.153 0.000 0.000) 2.153 3.452 ( 5.014 0.000 0.000) 5.014 3.604 ( 4.462 0.000 0.000) 4.462 3.680 ( -0.631 0.000 0.000) 0.631 3.697 ( -2.655 0.000 0.000) 2.655 3.714 ( 2.202 0.000 0.000) 2.202 3.763 ( 2.878 0.000 0.000) 2.878 3.890 ( -8.102 0.000 0.000) 8.102 3.936 ( 8.661 0.000 0.000) 8.661 4.034 ( -1.173 0.000 0.000) 1.173 4.278 ( 2.147 0.000 0.000) 2.147 4.598 ( -1.867 0.000 0.000) 1.867 4.786 ( -2.528 0.000 0.000) 2.528 5.161 ( 1.544 0.000 0.000) 1.544 5.687 ( -3.612 0.000 0.000) 3.612 5.747 ( 0.150 0.000 0.000) 0.150 5.832 ( -2.932 0.000 0.000) 2.932 5.912 ( 0.371 0.000 0.000) 0.371 5.997 ( -1.459 0.000 0.000) 1.459 6.126 ( -2.828 0.000 0.000) 2.828 6.204 ( -1.204 0.000 0.000) 1.204 6.331 ( -7.714 0.000 0.000) 7.714 6.458 ( -5.752 0.000 0.000) 5.752 6.553 ( -5.398 0.000 0.000) 5.398 6.570 ( -3.948 0.000 0.000) 3.948 6.778 ( -2.165 0.000 0.000) 2.165 7.869 ( 3.316 0.000 0.000) 3.316 8.093 ( 4.217 0.000 0.000) 4.217 8.151 ( 10.385 0.000 0.000) 10.385 8.278 ( 5.867 0.000 0.000) 5.867 8.565 ( 1.142 0.000 0.000) 1.142 8.808 ( -1.055 0.000 0.000) 1.055 8.835 ( -2.578 0.000 0.000) 2.578 8.908 ( -3.199 0.000 0.000) 3.199 9.181 ( 0.589 0.000 0.000) 0.589 9.216 ( -1.042 0.000 0.000) 1.042 9.405 ( 0.254 0.000 0.000) 0.254 10.056 ( 0.239 0.000 0.000) 0.239 10.272 ( 2.877 0.000 0.000) 2.877 10.657 ( -1.159 0.000 0.000) 1.159 10.666 ( -3.482 0.000 0.000) 3.482 10.849 ( 2.144 0.000 0.000) 2.144 10.938 ( 0.635 0.000 0.000) 0.635 10.981 ( -4.034 0.000 0.000) 4.034 11.038 ( 2.406 0.000 0.000) 2.406 11.597 ( -2.998 0.000 0.000) 2.998 11.707 ( -6.038 0.000 0.000) 6.038 12.104 ( -1.085 0.000 0.000) 1.085 12.254 ( 1.620 0.000 0.000) 1.620 12.390 ( -7.413 0.000 0.000) 7.413 12.463 ( 1.542 0.000 0.000) 1.542 12.556 ( -1.565 0.000 0.000) 1.565 13.752 ( -11.173 0.000 0.000) 11.173 13.803 ( -20.159 0.000 0.000) 20.159 15.129 ( 2.967 0.000 0.000) 2.967 15.245 ( 2.976 0.000 0.000) 2.976 15.497 ( -1.013 0.000 0.000) 1.013 15.875 ( -4.011 0.000 0.000) 4.011 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -5.260 0.000 0.000) 5.260 0.895 ( -8.229 0.000 0.000) 8.229 0.964 ( 12.632 0.000 0.000) 12.632 1.223 ( 15.927 0.000 0.000) 15.927 1.258 ( -0.566 0.000 0.000) 0.566 1.479 ( -3.011 0.000 0.000) 3.011 1.881 ( 8.026 0.000 0.000) 8.026 1.893 ( -5.520 0.000 0.000) 5.520 2.007 ( 15.424 0.000 0.000) 15.424 2.014 ( 14.399 0.000 0.000) 14.399 2.017 ( -10.146 0.000 0.000) 10.146 2.039 ( 11.930 0.000 0.000) 11.930 2.125 ( 2.728 0.000 0.000) 2.728 2.413 ( -1.917 0.000 0.000) 1.917 2.440 ( 1.923 0.000 0.000) 1.923 2.516 ( 6.371 0.000 0.000) 6.371 2.705 ( -2.745 0.000 0.000) 2.745 2.714 ( -0.926 0.000 0.000) 0.926 2.791 ( -6.839 0.000 0.000) 6.839 2.902 ( -1.159 0.000 0.000) 1.159 2.924 ( -2.020 0.000 0.000) 2.020 2.945 ( -1.562 0.000 0.000) 1.562 3.077 ( -1.073 0.000 0.000) 1.073 3.241 ( 6.786 0.000 0.000) 6.786 3.256 ( -0.490 0.000 0.000) 0.490 3.349 ( 7.451 0.000 0.000) 7.451 3.407 ( -1.109 0.000 0.000) 1.109 3.549 ( 4.756 0.000 0.000) 4.756 3.605 ( -6.208 0.000 0.000) 6.208 3.608 ( -6.209 0.000 0.000) 6.209 3.723 ( 7.332 0.000 0.000) 7.332 3.780 ( -2.691 0.000 0.000) 2.691 3.793 ( 5.716 0.000 0.000) 5.716 3.800 ( 0.185 0.000 0.000) 0.185 4.032 ( 1.083 0.000 0.000) 1.083 4.093 ( 7.215 0.000 0.000) 7.215 4.314 ( 1.496 0.000 0.000) 1.496 4.557 ( -2.505 0.000 0.000) 2.505 4.723 ( -3.648 0.000 0.000) 3.648 5.188 ( 0.799 0.000 0.000) 0.799 5.599 ( -5.291 0.000 0.000) 5.291 5.752 ( 0.406 0.000 0.000) 0.406 5.772 ( -3.157 0.000 0.000) 3.157 5.919 ( 0.374 0.000 0.000) 0.374 5.948 ( -3.603 0.000 0.000) 3.603 6.068 ( -3.004 0.000 0.000) 3.004 6.168 ( -2.529 0.000 0.000) 2.529 6.189 ( -6.253 0.000 0.000) 6.253 6.343 ( -5.770 0.000 0.000) 5.770 6.443 ( -5.670 0.000 0.000) 5.670 6.484 ( -4.703 0.000 0.000) 4.703 6.728 ( -2.985 0.000 0.000) 2.985 7.925 ( 2.261 0.000 0.000) 2.261 8.146 ( 1.247 0.000 0.000) 1.247 8.355 ( 9.883 0.000 0.000) 9.883 8.402 ( 6.472 0.000 0.000) 6.472 8.587 ( 1.084 0.000 0.000) 1.084 8.785 ( -1.241 0.000 0.000) 1.241 8.798 ( -1.065 0.000 0.000) 1.065 8.844 ( -3.207 0.000 0.000) 3.207 9.192 ( -1.313 0.000 0.000) 1.313 9.199 ( 1.288 0.000 0.000) 1.288 9.418 ( 1.063 0.000 0.000) 1.063 10.055 ( -0.475 0.000 0.000) 0.475 10.332 ( 3.137 0.000 0.000) 3.137 10.617 ( -1.484 0.000 0.000) 1.484 10.639 ( -0.663 0.000 0.000) 0.663 10.888 ( 1.819 0.000 0.000) 1.819 10.909 ( -3.140 0.000 0.000) 3.140 10.951 ( 0.653 0.000 0.000) 0.653 11.092 ( 3.045 0.000 0.000) 3.045 11.535 ( -3.182 0.000 0.000) 3.182 11.579 ( -6.893 0.000 0.000) 6.893 12.091 ( -0.241 0.000 0.000) 0.241 12.256 ( -5.774 0.000 0.000) 5.774 12.276 ( 0.501 0.000 0.000) 0.501 12.464 ( -1.397 0.000 0.000) 1.397 12.540 ( 0.342 0.000 0.000) 0.342 13.377 ( -22.978 0.000 0.000) 22.978 13.501 ( -14.369 0.000 0.000) 14.369 15.198 ( 4.026 0.000 0.000) 4.026 15.311 ( 3.743 0.000 0.000) 3.743 15.478 ( -1.065 0.000 0.000) 1.065 15.796 ( -4.077 0.000 0.000) 4.077 ======================= Grid point 4 (5/54) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.335 0.000 0.000) 1.335 0.698 ( -10.621 0.000 0.000) 10.621 1.174 ( 8.840 0.000 0.000) 8.840 1.330 ( 7.536 0.000 0.000) 7.536 1.418 ( -2.958 0.000 0.000) 2.958 1.487 ( 11.138 0.000 0.000) 11.138 1.782 ( -8.497 0.000 0.000) 8.497 1.824 ( -7.041 0.000 0.000) 7.041 2.024 ( 6.455 0.000 0.000) 6.455 2.146 ( -0.311 0.000 0.000) 0.311 2.178 ( 5.134 0.000 0.000) 5.134 2.288 ( 13.235 0.000 0.000) 13.235 2.291 ( 10.918 0.000 0.000) 10.918 2.388 ( -0.039 0.000 0.000) 0.039 2.492 ( 3.026 0.000 0.000) 3.026 2.638 ( 5.202 0.000 0.000) 5.202 2.645 ( -2.928 0.000 0.000) 2.928 2.656 ( -6.454 0.000 0.000) 6.454 2.670 ( -3.045 0.000 0.000) 3.045 2.873 ( -1.451 0.000 0.000) 1.451 2.882 ( -2.415 0.000 0.000) 2.415 2.894 ( -3.267 0.000 0.000) 3.267 3.073 ( 0.318 0.000 0.000) 0.318 3.249 ( -0.204 0.000 0.000) 0.204 3.338 ( -6.172 0.000 0.000) 6.172 3.365 ( 5.564 0.000 0.000) 5.564 3.469 ( -7.443 0.000 0.000) 7.443 3.545 ( 0.956 0.000 0.000) 0.956 3.549 ( 11.756 0.000 0.000) 11.756 3.625 ( 2.903 0.000 0.000) 2.903 3.747 ( -1.726 0.000 0.000) 1.726 3.782 ( -1.491 0.000 0.000) 1.491 3.863 ( 6.491 0.000 0.000) 6.491 3.907 ( 4.951 0.000 0.000) 4.951 4.063 ( 1.608 0.000 0.000) 1.608 4.206 ( 4.329 0.000 0.000) 4.329 4.333 ( 0.481 0.000 0.000) 0.481 4.505 ( -2.521 0.000 0.000) 2.521 4.660 ( -2.465 0.000 0.000) 2.465 5.182 ( -1.376 0.000 0.000) 1.376 5.496 ( -4.946 0.000 0.000) 4.946 5.715 ( -2.602 0.000 0.000) 2.602 5.762 ( 0.539 0.000 0.000) 0.539 5.873 ( -3.590 0.000 0.000) 3.590 5.934 ( 1.376 0.000 0.000) 1.376 6.017 ( -2.115 0.000 0.000) 2.115 6.097 ( -3.408 0.000 0.000) 3.408 6.110 ( -3.373 0.000 0.000) 3.373 6.247 ( -3.837 0.000 0.000) 3.837 6.344 ( -4.245 0.000 0.000) 4.245 6.398 ( -3.931 0.000 0.000) 3.931 6.670 ( -2.764 0.000 0.000) 2.764 7.958 ( 1.190 0.000 0.000) 1.190 8.149 ( -0.596 0.000 0.000) 0.596 8.501 ( 4.388 0.000 0.000) 4.388 8.510 ( 4.301 0.000 0.000) 4.301 8.619 ( 2.742 0.000 0.000) 2.742 8.764 ( -0.849 0.000 0.000) 0.849 8.790 ( -2.299 0.000 0.000) 2.299 8.791 ( 0.090 0.000 0.000) 0.090 9.168 ( -1.095 0.000 0.000) 1.095 9.226 ( 1.322 0.000 0.000) 1.322 9.444 ( 1.523 0.000 0.000) 1.523 10.039 ( -1.025 0.000 0.000) 1.025 10.386 ( 2.376 0.000 0.000) 2.376 10.606 ( 0.111 0.000 0.000) 0.111 10.631 ( -0.269 0.000 0.000) 0.269 10.864 ( -1.553 0.000 0.000) 1.553 10.918 ( 1.254 0.000 0.000) 1.254 10.961 ( 0.427 0.000 0.000) 0.427 11.154 ( 3.294 0.000 0.000) 3.294 11.451 ( -6.122 0.000 0.000) 6.122 11.480 ( -2.367 0.000 0.000) 2.367 12.093 ( 0.353 0.000 0.000) 0.353 12.186 ( -1.248 0.000 0.000) 1.248 12.275 ( -0.391 0.000 0.000) 0.391 12.421 ( -2.563 0.000 0.000) 2.563 12.579 ( 3.756 0.000 0.000) 3.756 12.951 ( -20.033 0.000 0.000) 20.033 13.216 ( -14.506 0.000 0.000) 14.506 15.279 ( 4.208 0.000 0.000) 4.208 15.384 ( 3.581 0.000 0.000) 3.581 15.454 ( -1.506 0.000 0.000) 1.506 15.722 ( -3.365 0.000 0.000) 3.365 ======================= Grid point 5 (6/54) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.234 0.000 0.000) 5.234 0.565 ( 0.407 0.000 0.000) 0.407 1.336 ( 8.055 0.000 0.000) 8.055 1.375 ( -1.256 0.000 0.000) 1.256 1.481 ( 5.972 0.000 0.000) 5.972 1.579 ( -9.773 0.000 0.000) 9.773 1.642 ( 4.375 0.000 0.000) 4.375 1.740 ( -3.122 0.000 0.000) 3.122 2.118 ( 2.820 0.000 0.000) 2.820 2.134 ( -0.507 0.000 0.000) 0.507 2.240 ( 1.550 0.000 0.000) 1.550 2.396 ( 0.422 0.000 0.000) 0.422 2.427 ( 3.040 0.000 0.000) 3.040 2.480 ( 3.396 0.000 0.000) 3.396 2.521 ( 1.420 0.000 0.000) 1.420 2.593 ( 0.380 0.000 0.000) 0.380 2.613 ( -0.259 0.000 0.000) 0.259 2.623 ( -1.319 0.000 0.000) 1.319 2.703 ( 1.474 0.000 0.000) 1.474 2.834 ( -2.003 0.000 0.000) 2.003 2.838 ( -1.934 0.000 0.000) 1.934 2.857 ( -0.215 0.000 0.000) 0.215 3.070 ( -0.678 0.000 0.000) 0.678 3.242 ( -2.498 0.000 0.000) 2.498 3.249 ( 0.213 0.000 0.000) 0.213 3.344 ( -4.313 0.000 0.000) 4.313 3.443 ( 2.181 0.000 0.000) 2.181 3.601 ( 3.518 0.000 0.000) 3.518 3.660 ( 0.826 0.000 0.000) 0.826 3.699 ( -2.961 0.000 0.000) 2.961 3.751 ( 7.531 0.000 0.000) 7.531 3.759 ( -0.697 0.000 0.000) 0.697 3.950 ( -0.496 0.000 0.000) 0.496 3.955 ( 2.575 0.000 0.000) 2.575 4.084 ( 0.555 0.000 0.000) 0.555 4.260 ( 1.339 0.000 0.000) 1.339 4.337 ( 0.032 0.000 0.000) 0.032 4.469 ( -1.011 0.000 0.000) 1.011 4.636 ( -0.251 0.000 0.000) 0.251 5.149 ( -1.421 0.000 0.000) 1.421 5.424 ( -2.037 0.000 0.000) 2.037 5.678 ( -1.037 0.000 0.000) 1.037 5.770 ( 0.252 0.000 0.000) 0.252 5.824 ( -1.299 0.000 0.000) 1.299 5.975 ( 2.821 0.000 0.000) 2.821 5.989 ( -0.704 0.000 0.000) 0.704 6.041 ( -3.526 0.000 0.000) 3.526 6.053 ( -1.180 0.000 0.000) 1.180 6.198 ( -1.255 0.000 0.000) 1.255 6.286 ( -1.593 0.000 0.000) 1.593 6.342 ( -1.554 0.000 0.000) 1.554 6.630 ( -1.153 0.000 0.000) 1.153 7.973 ( 0.396 0.000 0.000) 0.396 8.136 ( -0.464 0.000 0.000) 0.464 8.537 ( 0.418 0.000 0.000) 0.418 8.565 ( 1.408 0.000 0.000) 1.408 8.675 ( 1.958 0.000 0.000) 1.958 8.753 ( -0.279 0.000 0.000) 0.279 8.759 ( -0.828 0.000 0.000) 0.828 8.794 ( 0.162 0.000 0.000) 0.162 9.153 ( -0.425 0.000 0.000) 0.425 9.245 ( 0.545 0.000 0.000) 0.545 9.469 ( 0.772 0.000 0.000) 0.772 10.022 ( -0.568 0.000 0.000) 0.568 10.419 ( 0.884 0.000 0.000) 0.884 10.612 ( 0.272 0.000 0.000) 0.272 10.628 ( -0.061 0.000 0.000) 0.061 10.846 ( -0.386 0.000 0.000) 0.386 10.935 ( 0.466 0.000 0.000) 0.466 10.967 ( 0.127 0.000 0.000) 0.127 11.215 ( 2.596 0.000 0.000) 2.596 11.352 ( -3.606 0.000 0.000) 3.606 11.448 ( -0.867 0.000 0.000) 0.867 12.100 ( 0.309 0.000 0.000) 0.309 12.202 ( 1.938 0.000 0.000) 1.938 12.268 ( -0.236 0.000 0.000) 0.236 12.380 ( -1.286 0.000 0.000) 1.286 12.646 ( -9.771 0.000 0.000) 9.771 12.678 ( 5.534 0.000 0.000) 5.534 12.969 ( -9.607 0.000 0.000) 9.607 15.355 ( 3.415 0.000 0.000) 3.415 15.416 ( -2.330 0.000 0.000) 2.330 15.439 ( 1.750 0.000 0.000) 1.750 15.672 ( -1.580 0.000 0.000) 1.580 ======================= Grid point 11 (7/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 14.191 0.000) 14.191 0.510 ( 0.000 22.734 0.000) 22.734 0.589 ( 0.000 20.832 0.000) 20.832 1.071 ( 0.000 7.671 0.000) 7.671 1.095 ( 0.000 6.431 0.000) 6.431 1.452 ( 0.000 -4.417 0.000) 4.417 1.589 ( 0.000 -6.366 0.000) 6.366 1.623 ( 0.000 4.605 0.000) 4.605 1.638 ( 0.000 6.243 0.000) 6.243 1.696 ( 0.000 1.566 0.000) 1.566 1.999 ( 0.000 0.170 0.000) 0.170 2.036 ( 0.000 -3.323 0.000) 3.323 2.079 ( 0.000 2.237 0.000) 2.237 2.316 ( 0.000 -4.058 0.000) 4.058 2.356 ( 0.000 -6.479 0.000) 6.479 2.602 ( 0.000 -8.197 0.000) 8.197 2.667 ( 0.000 0.637 0.000) 0.637 2.785 ( 0.000 -5.657 0.000) 5.657 2.818 ( 0.000 -4.271 0.000) 4.271 2.819 ( 0.000 4.959 0.000) 4.959 2.856 ( 0.000 0.160 0.000) 0.160 2.921 ( 0.000 -7.023 0.000) 7.023 3.081 ( 0.000 -5.054 0.000) 5.054 3.253 ( 0.000 -1.922 0.000) 1.922 3.263 ( 0.000 9.591 0.000) 9.591 3.409 ( 0.000 -7.739 0.000) 7.739 3.420 ( 0.000 5.972 0.000) 5.972 3.512 ( 0.000 -4.538 0.000) 4.538 3.548 ( 0.000 8.539 0.000) 8.539 3.594 ( 0.000 5.331 0.000) 5.331 3.683 ( 0.000 1.115 0.000) 1.115 3.712 ( 0.000 4.131 0.000) 4.131 3.741 ( 0.000 1.836 0.000) 1.836 3.764 ( 0.000 -2.019 0.000) 2.019 4.049 ( 0.000 -2.483 0.000) 2.483 4.101 ( 0.000 -2.571 0.000) 2.571 4.532 ( 0.000 -5.668 0.000) 5.668 4.564 ( 0.000 -1.233 0.000) 1.233 4.858 ( 0.000 3.316 0.000) 3.316 4.903 ( 0.000 5.299 0.000) 5.299 5.745 ( 0.000 0.736 0.000) 0.736 5.804 ( 0.000 3.826 0.000) 3.826 5.863 ( 0.000 -1.137 0.000) 1.137 5.875 ( 0.000 -1.957 0.000) 1.957 6.087 ( 0.000 4.967 0.000) 4.967 6.144 ( 0.000 -3.872 0.000) 3.872 6.182 ( 0.000 -3.424 0.000) 3.424 6.435 ( 0.000 -5.991 0.000) 5.991 6.594 ( 0.000 0.718 0.000) 0.718 6.643 ( 0.000 -0.470 0.000) 0.470 6.700 ( 0.000 1.959 0.000) 1.959 6.810 ( 0.000 -0.836 0.000) 0.836 7.782 ( 0.000 -0.929 0.000) 0.929 7.881 ( 0.000 -2.333 0.000) 2.333 7.896 ( 0.000 3.577 0.000) 3.577 7.993 ( 0.000 1.556 0.000) 1.556 8.557 ( 0.000 2.032 0.000) 2.032 8.796 ( 0.000 -3.111 0.000) 3.111 8.939 ( 0.000 1.911 0.000) 1.911 8.981 ( 0.000 -0.036 0.000) 0.036 9.035 ( 0.000 -0.703 0.000) 0.703 9.116 ( 0.000 -6.330 0.000) 6.330 9.561 ( 0.000 9.423 0.000) 9.423 10.002 ( 0.000 -3.719 0.000) 3.719 10.727 ( 0.000 2.389 0.000) 2.389 10.780 ( 0.000 0.510 0.000) 0.510 10.796 ( 0.000 0.960 0.000) 0.960 10.912 ( 0.000 -1.067 0.000) 1.067 10.958 ( 0.000 -2.639 0.000) 2.639 11.015 ( 0.000 -5.585 0.000) 5.585 11.673 ( 0.000 1.053 0.000) 1.053 11.817 ( 0.000 -1.791 0.000) 1.791 11.989 ( 0.000 0.756 0.000) 0.756 12.014 ( 0.000 1.100 0.000) 1.100 12.202 ( 0.000 3.932 0.000) 3.932 12.424 ( 0.000 0.755 0.000) 0.755 12.466 ( 0.000 -3.316 0.000) 3.316 12.592 ( 0.000 -1.442 0.000) 1.442 12.727 ( 0.000 14.155 0.000) 14.155 14.073 ( 0.000 -14.938 0.000) 14.938 15.231 ( 0.000 4.142 0.000) 4.142 15.505 ( 0.000 -1.802 0.000) 1.802 15.682 ( 0.000 0.469 0.000) 0.469 15.719 ( 0.000 -0.354 0.000) 0.354 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 14.374 12.053 0.000) 18.759 0.677 ( 14.688 16.454 0.000) 22.056 0.762 ( 17.033 16.337 0.000) 23.601 1.019 ( -4.564 7.307 0.000) 8.615 1.275 ( 15.979 3.240 0.000) 16.304 1.509 ( -6.637 -1.556 0.000) 6.817 1.520 ( 6.746 -4.553 0.000) 8.139 1.594 ( -1.557 -0.549 0.000) 1.651 1.673 ( -1.033 0.625 0.000) 1.207 1.685 ( 4.517 6.406 0.000) 7.839 2.014 ( 1.825 2.004 0.000) 2.711 2.023 ( -1.974 -3.893 0.000) 4.365 2.140 ( 5.647 -1.546 0.000) 5.855 2.268 ( -4.608 -4.066 0.000) 6.145 2.356 ( 0.078 -5.903 0.000) 5.904 2.577 ( -1.435 -7.045 0.000) 7.190 2.632 ( -3.011 1.128 0.000) 3.215 2.805 ( 1.237 -5.048 0.000) 5.197 2.832 ( 0.822 4.545 0.000) 4.619 2.855 ( 3.711 -3.434 0.000) 5.056 2.871 ( 0.738 -3.136 0.000) 3.221 2.916 ( -0.342 -5.890 0.000) 5.900 3.052 ( -1.706 -4.054 0.000) 4.399 3.231 ( -1.707 3.575 0.000) 3.962 3.291 ( 2.333 5.887 0.000) 6.332 3.416 ( -0.426 6.096 0.000) 6.111 3.449 ( 2.044 -6.836 0.000) 7.135 3.495 ( -1.520 3.090 0.000) 3.444 3.549 ( 0.081 0.809 0.000) 0.813 3.616 ( 3.946 0.732 0.000) 4.013 3.627 ( -3.319 2.784 0.000) 4.332 3.740 ( 1.315 1.352 0.000) 1.886 3.743 ( -1.698 -1.848 0.000) 2.510 3.828 ( 6.427 2.532 0.000) 6.908 4.041 ( -0.748 -2.016 0.000) 2.150 4.048 ( -5.820 -2.015 0.000) 6.159 4.365 ( -6.566 6.150 0.000) 8.997 4.564 ( -1.286 -4.104 0.000) 4.301 4.848 ( 0.021 2.487 0.000) 2.487 5.025 ( 4.853 -4.068 0.000) 6.332 5.737 ( -0.906 0.670 0.000) 1.127 5.793 ( -1.045 3.524 0.000) 3.676 5.860 ( -1.522 -1.647 0.000) 2.243 5.868 ( 0.359 -1.129 0.000) 1.185 6.074 ( -1.454 2.959 0.000) 3.296 6.127 ( -1.679 -3.848 0.000) 4.199 6.192 ( 0.745 -1.742 0.000) 1.894 6.409 ( -2.950 -4.351 0.000) 5.256 6.559 ( -3.527 0.725 0.000) 3.601 6.615 ( -2.944 -0.655 0.000) 3.016 6.675 ( -2.384 2.274 0.000) 3.295 6.799 ( -1.128 -0.928 0.000) 1.461 7.805 ( 2.759 0.052 0.000) 2.760 7.922 ( 5.236 -0.988 0.000) 5.329 8.037 ( 6.571 -3.149 0.000) 7.286 8.062 ( 8.202 -0.872 0.000) 8.248 8.588 ( 2.254 2.600 0.000) 3.441 8.796 ( 0.046 -2.325 0.000) 2.326 8.910 ( -2.648 1.784 0.000) 3.193 8.962 ( -1.833 0.164 0.000) 1.840 9.042 ( 0.714 -3.733 0.000) 3.801 9.118 ( 0.073 -6.159 0.000) 6.160 9.553 ( -0.731 9.235 0.000) 9.264 10.003 ( 0.105 -3.958 0.000) 3.959 10.693 ( -9.862 4.089 0.000) 10.676 10.713 ( -1.083 2.616 0.000) 2.832 10.820 ( 1.974 1.001 0.000) 2.213 10.853 ( -13.372 4.572 0.000) 14.132 10.916 ( 0.397 -1.072 0.000) 1.143 10.971 ( 1.336 -2.652 0.000) 2.970 11.242 ( -15.515 25.470 0.000) 29.823 11.649 ( -2.402 0.640 0.000) 2.485 11.783 ( -3.403 -1.725 0.000) 3.815 12.079 ( -2.784 -4.113 0.000) 4.967 12.261 ( 1.530 2.835 0.000) 3.222 12.404 ( 2.655 -0.358 0.000) 2.679 12.598 ( 0.910 0.765 0.000) 1.189 12.673 ( -5.406 13.837 0.000) 14.855 13.252 ( 27.320 -31.453 0.000) 41.662 13.963 ( -11.030 -14.156 0.000) 17.946 15.242 ( 1.086 3.792 0.000) 3.945 15.411 ( -11.649 12.928 0.000) 17.402 15.497 ( -0.704 -1.714 0.000) 1.852 15.835 ( 0.970 -6.388 0.000) 6.461 ======================= Grid point 13 (9/54) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 4.684 9.983 0.000) 11.027 0.863 ( -6.846 5.119 0.000) 8.548 0.993 ( 16.784 10.064 0.000) 19.570 1.105 ( 9.985 11.484 0.000) 15.218 1.365 ( -6.960 1.497 0.000) 7.120 1.488 ( 0.263 -1.228 0.000) 1.256 1.687 ( 14.267 0.198 0.000) 14.268 1.696 ( 10.779 -5.503 0.000) 12.102 1.770 ( 12.694 -1.161 0.000) 12.747 1.798 ( 6.890 6.157 0.000) 9.240 1.951 ( -4.830 -4.535 0.000) 6.625 2.068 ( 3.356 1.402 0.000) 3.637 2.154 ( -6.831 -2.998 0.000) 7.460 2.269 ( 6.873 -4.781 0.000) 8.372 2.363 ( 0.897 -4.674 0.000) 4.760 2.556 ( -0.811 -8.185 0.000) 8.225 2.572 ( -2.534 3.668 0.000) 4.458 2.814 ( -0.403 -3.051 0.000) 3.077 2.828 ( -1.153 1.327 0.000) 1.758 2.870 ( -1.558 -4.090 0.000) 4.377 2.900 ( -0.180 -2.828 0.000) 2.833 2.954 ( 4.608 -2.582 0.000) 5.282 3.068 ( 4.426 0.013 0.000) 4.426 3.198 ( -1.387 6.039 0.000) 6.197 3.328 ( 0.729 4.985 0.000) 5.038 3.396 ( -1.956 6.626 0.000) 6.909 3.463 ( 0.062 -0.736 0.000) 0.739 3.487 ( 1.762 2.970 0.000) 3.453 3.583 ( -1.134 -2.700 0.000) 2.929 3.596 ( 4.051 -1.451 0.000) 4.303 3.692 ( -2.227 -3.334 0.000) 4.009 3.705 ( 3.425 -1.366 0.000) 3.687 3.764 ( 1.081 1.114 0.000) 1.552 3.896 ( -8.558 -0.771 0.000) 8.592 3.947 ( 4.787 0.555 0.000) 4.819 4.037 ( 1.355 -0.024 0.000) 1.355 4.313 ( -0.267 2.723 0.000) 2.736 4.529 ( -2.240 -4.180 0.000) 4.742 4.836 ( -1.488 3.227 0.000) 3.553 5.088 ( 2.439 -5.202 0.000) 5.746 5.701 ( -3.099 1.092 0.000) 3.285 5.771 ( -1.032 1.946 0.000) 2.203 5.820 ( -2.436 -0.692 0.000) 2.533 5.875 ( 0.434 -1.413 0.000) 1.478 6.028 ( -3.329 0.149 0.000) 3.332 6.082 ( -2.882 -3.824 0.000) 4.788 6.200 ( -0.179 0.376 0.000) 0.416 6.322 ( -5.516 -0.993 0.000) 5.604 6.466 ( -5.720 0.761 0.000) 5.771 6.533 ( -5.282 -0.924 0.000) 5.362 6.614 ( -3.800 2.866 0.000) 4.760 6.766 ( -2.249 -1.105 0.000) 2.506 7.877 ( 3.955 1.281 0.000) 4.158 8.050 ( 6.393 -2.307 0.000) 6.796 8.150 ( 6.906 -0.953 0.000) 6.971 8.235 ( 8.783 -3.147 0.000) 9.330 8.620 ( 0.919 3.939 0.000) 4.045 8.796 ( -0.223 -1.021 0.000) 1.045 8.852 ( -2.795 1.509 0.000) 3.176 8.916 ( -2.706 0.828 0.000) 2.830 9.066 ( 1.765 -6.500 0.000) 6.735 9.117 ( -0.129 -5.806 0.000) 5.807 9.536 ( -0.934 8.601 0.000) 8.652 10.003 ( -0.185 -4.543 0.000) 4.547 10.504 ( -6.299 10.360 0.000) 12.125 10.695 ( -0.718 3.242 0.000) 3.320 10.704 ( -4.270 2.321 0.000) 4.860 10.861 ( 2.159 1.020 0.000) 2.387 10.927 ( 0.657 -1.064 0.000) 1.250 11.008 ( 2.393 -2.720 0.000) 3.623 11.090 ( -5.071 13.382 0.000) 14.310 11.586 ( -3.941 -0.312 0.000) 3.954 11.695 ( -5.280 -1.287 0.000) 5.435 12.018 ( -3.063 -7.092 0.000) 7.725 12.293 ( 1.655 2.913 0.000) 3.350 12.444 ( 1.035 -0.929 0.000) 1.391 12.534 ( -8.414 12.648 0.000) 15.192 12.615 ( 0.655 4.514 0.000) 4.561 13.472 ( -0.142 -20.529 0.000) 20.530 13.668 ( -18.719 -12.117 0.000) 22.298 15.264 ( 0.044 5.989 0.000) 5.989 15.292 ( -0.291 7.209 0.000) 7.215 15.481 ( -0.847 -1.487 0.000) 1.711 15.805 ( -3.002 -5.692 0.000) 6.435 ======================= Grid point 14 (10/54) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.265 5.782 0.000) 8.526 0.772 ( -5.111 0.723 0.000) 5.162 1.230 ( 3.730 9.135 0.000) 9.867 1.281 ( 0.121 1.986 0.000) 1.990 1.298 ( 14.313 6.603 0.000) 15.763 1.450 ( -2.270 -0.694 0.000) 2.374 1.832 ( -4.735 -5.093 0.000) 6.954 1.888 ( 7.624 -4.382 0.000) 8.794 1.944 ( -0.641 -0.736 0.000) 0.976 1.958 ( 9.717 0.842 0.000) 9.754 2.052 ( 14.262 0.915 0.000) 14.292 2.070 ( 5.770 1.505 0.000) 5.963 2.130 ( 2.972 -0.415 0.000) 3.001 2.366 ( 2.647 -3.693 0.000) 4.544 2.414 ( 4.593 -3.464 0.000) 5.753 2.543 ( -0.667 -9.205 0.000) 9.229 2.559 ( 1.482 5.973 0.000) 6.154 2.777 ( -4.503 0.436 0.000) 4.524 2.796 ( -1.111 0.049 0.000) 1.112 2.832 ( -1.356 -4.167 0.000) 4.383 2.895 ( -0.283 -0.710 0.000) 0.765 3.002 ( -0.653 4.068 0.000) 4.120 3.202 ( 7.508 3.969 0.000) 8.493 3.203 ( 2.403 0.112 0.000) 2.406 3.323 ( -0.538 4.122 0.000) 4.157 3.340 ( -3.058 3.295 0.000) 4.495 3.484 ( 2.622 3.439 0.000) 4.324 3.544 ( 1.533 -0.399 0.000) 1.584 3.552 ( -3.274 -3.708 0.000) 4.947 3.596 ( -2.824 -0.692 0.000) 2.908 3.718 ( 4.718 -1.501 0.000) 4.951 3.753 ( -1.832 -1.423 0.000) 2.320 3.767 ( 2.870 -2.924 0.000) 4.097 3.810 ( 1.108 -0.296 0.000) 1.147 4.002 ( 2.358 -0.831 0.000) 2.500 4.111 ( 4.862 0.349 0.000) 4.875 4.322 ( 0.822 0.684 0.000) 1.070 4.478 ( -2.907 -4.557 0.000) 5.405 4.795 ( -2.560 4.517 0.000) 5.192 5.123 ( 0.998 -5.251 0.000) 5.345 5.619 ( -5.036 1.698 0.000) 5.315 5.747 ( -2.072 -1.085 0.000) 2.339 5.778 ( -1.281 1.286 0.000) 1.815 5.885 ( 0.638 -1.607 0.000) 1.729 5.949 ( -4.530 -1.027 0.000) 4.644 6.022 ( -3.124 -3.851 0.000) 4.959 6.183 ( -1.506 1.664 0.000) 2.245 6.217 ( -4.992 1.702 0.000) 5.274 6.352 ( -5.751 0.791 0.000) 5.805 6.423 ( -5.752 -1.092 0.000) 5.855 6.534 ( -4.240 3.515 0.000) 5.508 6.715 ( -2.990 -1.202 0.000) 3.223 7.940 ( 2.426 1.549 0.000) 2.879 8.120 ( 1.347 -2.221 0.000) 2.597 8.318 ( 9.084 -1.746 0.000) 9.250 8.401 ( 8.254 -1.569 0.000) 8.402 8.627 ( -0.030 3.282 0.000) 3.282 8.773 ( -1.899 -0.806 0.000) 2.063 8.823 ( -0.405 2.036 0.000) 2.076 8.863 ( -2.662 1.740 0.000) 3.180 9.107 ( 2.330 -6.491 0.000) 6.897 9.113 ( -0.317 -5.307 0.000) 5.317 9.522 ( -0.419 7.448 0.000) 7.460 9.994 ( -0.791 -5.138 0.000) 5.199 10.440 ( -1.111 6.399 0.000) 6.495 10.654 ( -1.159 1.540 0.000) 1.927 10.685 ( -0.320 3.884 0.000) 3.897 10.900 ( 1.780 0.999 0.000) 2.041 10.940 ( 0.672 -1.042 0.000) 1.240 11.008 ( -3.400 11.172 0.000) 11.678 11.060 ( 2.798 -3.002 0.000) 4.104 11.503 ( -4.494 -0.969 0.000) 4.598 11.596 ( -4.597 -0.079 0.000) 4.598 11.970 ( -1.798 -9.676 0.000) 9.842 12.319 ( 0.934 2.868 0.000) 3.016 12.371 ( -7.768 10.145 0.000) 12.778 12.442 ( -1.045 -0.833 0.000) 1.336 12.621 ( 0.177 6.003 0.000) 6.005 13.272 ( -21.357 -9.442 0.000) 23.351 13.357 ( -10.004 -12.011 0.000) 15.631 15.273 ( 1.757 5.958 0.000) 6.212 15.334 ( 2.977 2.182 0.000) 3.691 15.466 ( -0.756 -1.031 0.000) 1.279 15.741 ( -3.368 -4.747 0.000) 5.821 ======================= Grid point 15 (11/54) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -9.594 -0.679 0.000) 9.618 0.694 ( -0.883 6.576 0.000) 6.635 1.261 ( 1.924 -1.048 0.000) 2.191 1.339 ( 1.373 -1.383 0.000) 1.949 1.450 ( 3.529 4.784 0.000) 5.944 1.537 ( 10.116 4.490 0.000) 11.068 1.750 ( -4.140 -3.297 0.000) 5.293 1.808 ( -7.362 3.341 0.000) 8.084 2.000 ( 4.169 -4.015 0.000) 5.788 2.088 ( 2.402 -2.911 0.000) 3.774 2.202 ( 4.712 2.108 0.000) 5.162 2.209 ( 5.174 -4.249 0.000) 6.695 2.314 ( 10.629 1.018 0.000) 10.678 2.436 ( 5.687 0.618 0.000) 5.721 2.498 ( 3.734 -0.741 0.000) 3.807 2.525 ( -1.219 -8.748 0.000) 8.832 2.606 ( 2.336 5.787 0.000) 6.241 2.680 ( -4.616 0.151 0.000) 4.618 2.789 ( 0.722 3.106 0.000) 3.189 2.814 ( -0.777 -3.044 0.000) 3.142 2.884 ( -1.073 1.510 0.000) 1.853 2.951 ( -3.546 6.553 0.000) 7.451 3.218 ( -4.270 7.245 0.000) 8.409 3.250 ( 1.200 -2.112 0.000) 2.429 3.319 ( -0.569 -0.319 0.000) 0.653 3.348 ( 0.416 1.367 0.000) 1.429 3.482 ( -3.144 -0.168 0.000) 3.148 3.491 ( 0.730 -1.996 0.000) 2.125 3.598 ( 8.328 2.064 0.000) 8.581 3.604 ( 0.316 -2.097 0.000) 2.121 3.736 ( -1.340 -1.125 0.000) 1.749 3.760 ( 0.834 -1.410 0.000) 1.638 3.861 ( 5.475 -0.777 0.000) 5.530 3.869 ( 4.013 -3.354 0.000) 5.229 4.052 ( 2.427 -0.217 0.000) 2.437 4.192 ( 3.306 -1.382 0.000) 3.583 4.335 ( 0.355 0.018 0.000) 0.356 4.426 ( -2.262 -4.417 0.000) 4.963 4.745 ( -2.320 5.410 0.000) 5.887 5.120 ( -1.252 -5.238 0.000) 5.386 5.520 ( -4.715 2.163 0.000) 5.188 5.695 ( -2.711 -1.765 0.000) 3.235 5.770 ( 0.021 0.828 0.000) 0.828 5.870 ( -3.231 -0.347 0.000) 3.250 5.904 ( 1.427 -1.650 0.000) 2.181 5.968 ( -2.275 -3.928 0.000) 4.539 6.123 ( -4.071 2.198 0.000) 4.627 6.155 ( -1.866 2.878 0.000) 3.430 6.256 ( -3.872 0.758 0.000) 3.945 6.322 ( -4.359 -1.157 0.000) 4.510 6.458 ( -3.386 4.186 0.000) 5.384 6.657 ( -2.706 -1.167 0.000) 2.947 7.974 ( 1.120 1.460 0.000) 1.840 8.125 ( -0.438 -2.015 0.000) 2.062 8.459 ( 5.084 -1.448 0.000) 5.286 8.545 ( 5.924 0.074 0.000) 5.925 8.628 ( 0.629 1.198 0.000) 1.353 8.744 ( -0.853 -1.496 0.000) 1.722 8.816 ( -0.507 2.498 0.000) 2.549 8.818 ( -1.908 2.541 0.000) 3.177 9.106 ( -0.350 -4.695 0.000) 4.708 9.148 ( 1.728 -5.980 0.000) 6.224 9.521 ( 0.292 5.997 0.000) 6.004 9.975 ( -1.116 -5.444 0.000) 5.557 10.438 ( 0.516 3.723 0.000) 3.759 10.648 ( 0.310 1.144 0.000) 1.186 10.681 ( -0.143 4.255 0.000) 4.257 10.928 ( 1.160 0.882 0.000) 1.457 10.951 ( 0.454 -1.004 0.000) 1.101 10.961 ( -1.492 10.884 0.000) 10.986 11.110 ( 2.270 -3.998 0.000) 4.597 11.421 ( -3.570 0.165 0.000) 3.574 11.526 ( -2.582 1.348 0.000) 2.913 11.948 ( -0.530 -11.050 0.000) 11.062 12.256 ( -3.694 6.403 0.000) 7.392 12.330 ( 0.310 3.101 0.000) 3.116 12.413 ( -1.792 -0.432 0.000) 1.843 12.635 ( 1.744 4.590 0.000) 4.911 12.877 ( -18.504 -6.669 0.000) 19.670 13.134 ( -12.067 -7.090 0.000) 13.996 15.322 ( 2.931 3.581 0.000) 4.628 15.393 ( 2.920 0.857 0.000) 3.043 15.450 ( -1.024 -0.285 0.000) 1.063 15.681 ( -2.699 -3.639 0.000) 4.531 ======================= Grid point 16 (12/54) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -5.767 -1.405 0.000) 5.936 0.708 ( 1.091 9.373 0.000) 9.436 1.276 ( -0.451 -7.999 0.000) 8.011 1.389 ( 4.636 -3.137 0.000) 5.598 1.499 ( -1.534 -1.565 0.000) 2.191 1.672 ( -0.694 11.747 0.000) 11.767 1.677 ( 3.955 3.194 0.000) 5.084 1.723 ( -2.908 1.451 0.000) 3.250 2.048 ( 0.949 -5.879 0.000) 5.955 2.106 ( 0.353 -1.658 0.000) 1.695 2.256 ( 1.191 1.435 0.000) 1.865 2.276 ( 1.588 -6.603 0.000) 6.791 2.441 ( 2.613 -0.235 0.000) 2.624 2.500 ( -1.022 -8.427 0.000) 8.488 2.544 ( 0.944 2.833 0.000) 2.987 2.560 ( 5.026 1.190 0.000) 5.165 2.630 ( -0.468 1.177 0.000) 1.266 2.640 ( 1.193 6.727 0.000) 6.832 2.797 ( -0.801 -2.534 0.000) 2.657 2.813 ( 1.041 4.281 0.000) 4.405 2.857 ( -1.261 2.227 0.000) 2.559 2.894 ( -1.782 5.481 0.000) 5.764 3.145 ( -2.345 5.384 0.000) 5.872 3.242 ( -1.871 -5.738 0.000) 6.035 3.286 ( -0.987 1.892 0.000) 2.134 3.324 ( -1.136 6.246 0.000) 6.348 3.477 ( 1.051 0.947 0.000) 1.415 3.558 ( 4.317 -3.760 0.000) 5.725 3.596 ( -0.556 -5.386 0.000) 5.414 3.672 ( -3.332 -2.462 0.000) 4.143 3.771 ( 6.030 1.466 0.000) 6.206 3.772 ( 0.288 1.062 0.000) 1.100 3.919 ( 0.502 -2.577 0.000) 2.625 3.939 ( 2.131 -1.661 0.000) 2.702 4.086 ( 0.946 0.459 0.000) 1.052 4.235 ( 1.085 -2.213 0.000) 2.464 4.337 ( 0.017 -0.088 0.000) 0.089 4.396 ( -0.809 -4.359 0.000) 4.434 4.714 ( -0.720 5.309 0.000) 5.357 5.089 ( -1.279 -5.015 0.000) 5.175 5.453 ( -1.938 2.470 0.000) 3.140 5.656 ( -1.135 -2.020 0.000) 2.317 5.772 ( 0.080 0.258 0.000) 0.270 5.829 ( -1.042 0.566 0.000) 1.186 5.938 ( -0.701 -3.974 0.000) 4.035 5.938 ( 1.494 -2.648 0.000) 3.041 6.057 ( -2.419 3.077 0.000) 3.914 6.126 ( -0.864 3.355 0.000) 3.465 6.206 ( -1.296 0.679 0.000) 1.463 6.262 ( -1.635 -1.123 0.000) 1.984 6.411 ( -1.298 4.640 0.000) 4.818 6.619 ( -1.114 -1.084 0.000) 1.554 7.987 ( 0.327 1.282 0.000) 1.323 8.115 ( -0.363 -1.746 0.000) 1.784 8.518 ( 1.285 -0.660 0.000) 1.445 8.600 ( 0.644 2.148 0.000) 2.243 8.664 ( 1.669 -1.442 0.000) 2.206 8.746 ( 0.947 -2.677 0.000) 2.840 8.792 ( -0.690 2.994 0.000) 3.072 8.800 ( -1.024 3.070 0.000) 3.236 9.101 ( -0.159 -4.247 0.000) 4.250 9.170 ( 0.578 -5.886 0.000) 5.915 9.528 ( 0.294 4.928 0.000) 4.937 9.957 ( -0.559 -5.479 0.000) 5.508 10.449 ( 0.393 2.656 0.000) 2.685 10.656 ( 0.289 0.786 0.000) 0.838 10.679 ( -0.050 4.354 0.000) 4.354 10.944 ( 0.421 0.769 0.000) 0.877 10.945 ( -0.306 11.064 0.000) 11.068 10.957 ( 0.132 -0.992 0.000) 1.000 11.142 ( 0.862 -5.672 0.000) 5.737 11.374 ( -1.229 2.575 0.000) 2.853 11.493 ( -0.867 2.297 0.000) 2.456 11.944 ( -0.019 -11.535 0.000) 11.535 12.231 ( 0.562 2.909 0.000) 2.963 12.335 ( 0.275 3.411 0.000) 3.422 12.381 ( -1.138 0.151 0.000) 1.148 12.597 ( -8.855 -4.376 0.000) 9.877 12.695 ( 3.841 1.557 0.000) 4.145 12.927 ( -8.035 -3.673 0.000) 8.835 15.378 ( 2.665 1.844 0.000) 3.240 15.420 ( -1.592 0.326 0.000) 1.625 15.440 ( 1.183 0.323 0.000) 1.227 15.641 ( -1.216 -2.696 0.000) 2.957 ======================= Grid point 22 (13/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 10.893 0.000) 10.893 0.753 ( 0.000 -2.857 0.000) 2.857 0.957 ( 0.000 18.484 0.000) 18.484 1.255 ( 0.000 8.544 0.000) 8.544 1.284 ( 0.000 -11.559 0.000) 11.559 1.391 ( 0.000 13.069 0.000) 13.069 1.438 ( 0.000 -3.542 0.000) 3.542 1.647 ( 0.000 -4.140 0.000) 4.140 1.800 ( 0.000 6.725 0.000) 6.725 1.807 ( 0.000 8.735 0.000) 8.735 1.935 ( 0.000 -5.777 0.000) 5.777 1.967 ( 0.000 -4.552 0.000) 4.552 2.132 ( 0.000 2.435 0.000) 2.435 2.204 ( 0.000 -5.548 0.000) 5.548 2.243 ( 0.000 0.043 0.000) 0.043 2.381 ( 0.000 -10.782 0.000) 10.782 2.691 ( 0.000 1.613 0.000) 1.613 2.707 ( 0.000 -0.548 0.000) 0.548 2.753 ( 0.000 -2.557 0.000) 2.557 2.778 ( 0.000 -5.273 0.000) 5.273 2.864 ( 0.000 0.617 0.000) 0.617 2.879 ( 0.000 -0.113 0.000) 0.113 3.084 ( 0.000 5.435 0.000) 5.435 3.238 ( 0.000 -7.880 0.000) 7.880 3.257 ( 0.000 2.128 0.000) 2.128 3.328 ( 0.000 -3.386 0.000) 3.386 3.529 ( 0.000 6.153 0.000) 6.153 3.543 ( 0.000 5.658 0.000) 5.658 3.629 ( 0.000 -0.667 0.000) 0.667 3.652 ( 0.000 -3.825 0.000) 3.825 3.718 ( 0.000 -0.461 0.000) 0.461 3.747 ( 0.000 -1.204 0.000) 1.204 3.788 ( 0.000 9.433 0.000) 9.433 3.828 ( 0.000 6.436 0.000) 6.436 3.958 ( 0.000 -6.125 0.000) 6.125 3.983 ( 0.000 -7.517 0.000) 7.517 4.491 ( 0.000 1.135 0.000) 1.135 4.530 ( 0.000 -1.890 0.000) 1.890 4.933 ( 0.000 3.121 0.000) 3.121 4.967 ( 0.000 0.477 0.000) 0.477 5.774 ( 0.000 1.927 0.000) 1.927 5.824 ( 0.000 -2.559 0.000) 2.559 5.902 ( 0.000 5.081 0.000) 5.081 5.908 ( 0.000 5.662 0.000) 5.662 6.035 ( 0.000 -5.825 0.000) 5.825 6.056 ( 0.000 -7.888 0.000) 7.888 6.195 ( 0.000 4.902 0.000) 4.902 6.303 ( 0.000 -5.501 0.000) 5.501 6.614 ( 0.000 0.971 0.000) 0.971 6.632 ( 0.000 -0.661 0.000) 0.661 6.745 ( 0.000 2.066 0.000) 2.066 6.784 ( 0.000 -1.558 0.000) 1.558 7.786 ( 0.000 1.236 0.000) 1.236 7.828 ( 0.000 -2.441 0.000) 2.441 7.967 ( 0.000 2.769 0.000) 2.769 8.005 ( 0.000 -0.618 0.000) 0.618 8.624 ( 0.000 3.983 0.000) 3.983 8.716 ( 0.000 -4.221 0.000) 4.221 8.979 ( 0.000 1.783 0.000) 1.783 8.985 ( 0.000 0.562 0.000) 0.562 9.013 ( 0.000 -1.324 0.000) 1.324 9.017 ( 0.000 -2.835 0.000) 2.835 9.750 ( 0.000 7.862 0.000) 7.862 9.897 ( 0.000 -5.899 0.000) 5.899 10.791 ( 0.000 3.225 0.000) 3.225 10.808 ( 0.000 2.353 0.000) 2.353 10.822 ( 0.000 1.063 0.000) 1.063 10.882 ( 0.000 -1.534 0.000) 1.534 10.889 ( 0.000 -5.215 0.000) 5.215 10.890 ( 0.000 -3.061 0.000) 3.061 11.710 ( 0.000 2.341 0.000) 2.341 11.767 ( 0.000 -2.707 0.000) 2.707 12.011 ( 0.000 1.139 0.000) 1.139 12.027 ( 0.000 -0.126 0.000) 0.126 12.303 ( 0.000 4.821 0.000) 4.821 12.391 ( 0.000 -3.534 0.000) 3.534 12.456 ( 0.000 2.493 0.000) 2.493 12.531 ( 0.000 -3.902 0.000) 3.902 13.136 ( 0.000 22.735 0.000) 22.735 13.647 ( 0.000 -23.292 0.000) 23.292 15.339 ( 0.000 5.387 0.000) 5.387 15.443 ( 0.000 -3.960 0.000) 3.960 15.695 ( 0.000 0.662 0.000) 0.662 15.709 ( 0.000 -0.596 0.000) 0.596 ======================= Grid point 23 (14/54) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 16.148 9.670 0.000) 18.822 0.955 ( 15.462 -1.033 0.000) 15.497 1.046 ( 8.558 16.577 0.000) 18.656 1.194 ( -5.136 8.366 0.000) 9.817 1.352 ( 6.632 -11.256 0.000) 13.065 1.368 ( -4.851 -7.856 0.000) 9.233 1.466 ( 7.135 12.614 0.000) 14.492 1.638 ( -0.250 -1.481 0.000) 1.501 1.740 ( -4.706 6.202 0.000) 7.785 1.857 ( 4.650 8.871 0.000) 10.016 1.900 ( -3.718 -7.528 0.000) 8.396 2.026 ( 5.661 -4.878 0.000) 7.472 2.112 ( -1.335 2.349 0.000) 2.702 2.211 ( -2.883 1.705 0.000) 3.349 2.212 ( 0.744 -6.164 0.000) 6.209 2.372 ( -0.741 -10.865 0.000) 10.890 2.671 ( -0.735 2.892 0.000) 2.984 2.742 ( 1.914 -2.006 0.000) 2.773 2.788 ( 3.107 -2.925 0.000) 4.267 2.800 ( 2.587 -3.024 0.000) 3.980 2.838 ( -2.321 0.385 0.000) 2.353 2.864 ( -1.733 -1.476 0.000) 2.277 3.100 ( 2.147 7.128 0.000) 7.444 3.273 ( 3.034 -8.353 0.000) 8.887 3.277 ( 2.297 3.351 0.000) 4.062 3.374 ( 4.658 -4.428 0.000) 6.427 3.499 ( -2.564 6.454 0.000) 6.945 3.544 ( -0.027 5.648 0.000) 5.648 3.613 ( -2.289 -2.097 0.000) 3.104 3.644 ( -1.103 -2.722 0.000) 2.937 3.678 ( -2.920 3.610 0.000) 4.643 3.706 ( -1.167 -0.445 0.000) 1.249 3.799 ( -2.298 5.141 0.000) 5.632 3.881 ( 5.505 3.191 0.000) 6.363 3.939 ( -4.418 -7.067 0.000) 8.334 3.971 ( 1.410 -4.322 0.000) 4.546 4.450 ( -3.613 3.044 0.000) 4.724 4.507 ( -2.026 -2.101 0.000) 2.919 4.914 ( -0.791 3.359 0.000) 3.451 4.975 ( 0.219 -2.082 0.000) 2.093 5.764 ( -1.079 1.772 0.000) 2.075 5.809 ( -1.500 -2.247 0.000) 2.702 5.898 ( -1.103 5.372 0.000) 5.484 5.899 ( -0.426 4.293 0.000) 4.314 6.020 ( -1.523 -5.696 0.000) 5.896 6.029 ( -2.508 -6.367 0.000) 6.843 6.217 ( 1.650 3.710 0.000) 4.060 6.306 ( -0.021 -4.517 0.000) 4.517 6.579 ( -3.447 1.056 0.000) 3.605 6.600 ( -3.234 -0.804 0.000) 3.333 6.726 ( -1.827 2.314 0.000) 2.949 6.770 ( -1.397 -1.732 0.000) 2.226 7.833 ( 4.630 2.182 0.000) 5.118 7.889 ( 5.472 -2.662 0.000) 6.085 8.008 ( 4.540 1.529 0.000) 4.791 8.050 ( 4.123 -1.563 0.000) 4.409 8.655 ( 2.772 3.610 0.000) 4.552 8.733 ( 1.617 -3.409 0.000) 3.773 8.950 ( -2.697 1.889 0.000) 3.292 8.973 ( -1.067 1.062 0.000) 1.506 8.990 ( -1.997 -1.864 0.000) 2.732 9.017 ( -0.126 -3.196 0.000) 3.199 9.741 ( -0.839 7.962 0.000) 8.006 9.893 ( -0.450 -6.154 0.000) 6.171 10.741 ( -5.860 2.429 0.000) 6.344 10.784 ( -0.338 3.769 0.000) 3.784 10.811 ( -6.662 -3.857 0.000) 7.698 10.843 ( 1.642 0.213 0.000) 1.655 10.882 ( 0.338 -1.521 0.000) 1.558 10.906 ( 1.386 -2.663 0.000) 3.002 11.679 ( -3.045 2.154 0.000) 3.730 11.720 ( -15.667 16.020 0.000) 22.407 11.734 ( -3.252 -2.655 0.000) 4.198 11.960 ( -7.495 -7.452 0.000) 10.570 12.331 ( 1.745 3.502 0.000) 3.913 12.390 ( 1.654 -1.467 0.000) 2.211 12.629 ( 7.841 3.156 0.000) 8.453 12.792 ( 19.538 -13.225 0.000) 23.593 13.069 ( -6.735 21.887 0.000) 22.900 13.558 ( -8.923 -22.209 0.000) 23.934 15.342 ( 0.249 4.995 0.000) 5.001 15.438 ( -0.437 -3.735 0.000) 3.761 15.599 ( -6.323 6.155 0.000) 8.824 15.714 ( -1.675 -5.097 0.000) 5.365 ======================= Grid point 24 (15/54) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.943 8.366 0.000) 8.419 1.004 ( -7.828 5.927 0.000) 9.819 1.231 ( 4.134 0.126 0.000) 4.136 1.254 ( 12.056 13.124 0.000) 17.821 1.295 ( -2.178 -6.537 0.000) 6.890 1.519 ( 9.949 -10.767 0.000) 14.660 1.582 ( -2.089 9.036 0.000) 9.275 1.724 ( 11.194 0.743 0.000) 11.219 1.778 ( 10.028 0.626 0.000) 10.048 1.819 ( 1.119 -6.169 0.000) 6.270 1.958 ( 4.981 7.849 0.000) 9.296 2.092 ( -0.119 -1.975 0.000) 1.979 2.147 ( -3.503 5.313 0.000) 6.364 2.168 ( 7.774 -1.301 0.000) 7.882 2.244 ( 3.080 -5.655 0.000) 6.439 2.357 ( -0.807 -10.913 0.000) 10.942 2.670 ( 0.787 5.206 0.000) 5.265 2.771 ( 1.129 -2.925 0.000) 3.135 2.793 ( -1.908 -0.825 0.000) 2.079 2.815 ( -2.972 -2.277 0.000) 3.744 2.841 ( 2.491 -0.854 0.000) 2.633 2.880 ( 4.819 -3.401 0.000) 5.898 3.172 ( 4.973 7.573 0.000) 9.060 3.334 ( 2.266 6.446 0.000) 6.833 3.341 ( 3.792 -7.671 0.000) 8.557 3.440 ( -2.070 1.623 0.000) 2.631 3.506 ( 7.413 -0.901 0.000) 7.468 3.528 ( -2.185 5.473 0.000) 5.893 3.569 ( -0.595 -0.251 0.000) 0.646 3.597 ( -3.158 0.158 0.000) 3.162 3.622 ( -3.580 -0.339 0.000) 3.596 3.677 ( -1.826 -2.597 0.000) 3.175 3.770 ( -0.542 0.509 0.000) 0.743 3.828 ( -6.254 -4.508 0.000) 7.709 3.971 ( 3.552 1.990 0.000) 4.072 4.018 ( 3.506 -1.814 0.000) 3.947 4.385 ( -2.655 3.779 0.000) 4.619 4.458 ( -2.844 -2.929 0.000) 4.082 4.905 ( -0.466 3.322 0.000) 3.355 4.984 ( 0.886 -4.191 0.000) 4.284 5.730 ( -2.569 1.623 0.000) 3.039 5.768 ( -2.643 -1.753 0.000) 3.172 5.868 ( -1.844 4.609 0.000) 4.964 5.886 ( -0.770 2.539 0.000) 2.653 5.970 ( -3.320 -4.488 0.000) 5.582 5.979 ( -2.639 -5.332 0.000) 5.949 6.237 ( 0.185 2.551 0.000) 2.558 6.289 ( -1.877 -2.049 0.000) 2.778 6.488 ( -5.662 1.171 0.000) 5.782 6.512 ( -5.520 -1.029 0.000) 5.615 6.678 ( -3.089 2.863 0.000) 4.211 6.732 ( -2.540 -2.103 0.000) 3.297 7.930 ( 4.385 3.298 0.000) 5.487 8.000 ( 5.000 -2.802 0.000) 5.731 8.132 ( 7.831 0.243 0.000) 7.835 8.168 ( 8.381 -2.735 0.000) 8.816 8.702 ( 1.315 3.443 0.000) 3.686 8.763 ( 0.824 -2.168 0.000) 2.319 8.896 ( -2.154 2.507 0.000) 3.305 8.947 ( -1.503 2.144 0.000) 2.618 8.960 ( -0.436 -3.613 0.000) 3.639 9.012 ( -0.363 -3.909 0.000) 3.925 9.719 ( -1.380 8.104 0.000) 8.221 9.879 ( -0.953 -6.745 0.000) 6.812 10.625 ( -5.331 3.547 0.000) 6.403 10.693 ( -4.737 -2.642 0.000) 5.424 10.783 ( 0.179 4.666 0.000) 4.669 10.874 ( 1.320 -2.387 0.000) 2.728 10.899 ( 1.398 0.563 0.000) 1.507 10.940 ( 2.057 -2.825 0.000) 3.495 11.486 ( -9.030 18.598 0.000) 20.674 11.602 ( -4.574 1.823 0.000) 4.924 11.652 ( -4.739 -2.482 0.000) 5.349 11.814 ( -6.855 -12.041 0.000) 13.855 12.363 ( 1.351 3.276 0.000) 3.544 12.420 ( 1.007 -1.783 0.000) 2.048 12.757 ( 4.381 9.501 0.000) 10.463 12.890 ( -11.259 19.412 0.000) 22.441 13.046 ( 6.212 -17.367 0.000) 18.445 13.319 ( -15.191 -19.282 0.000) 24.547 15.351 ( 0.770 3.979 0.000) 4.052 15.428 ( -0.632 -2.702 0.000) 2.775 15.494 ( -3.766 8.265 0.000) 9.083 15.662 ( -3.075 -7.276 0.000) 7.899 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -7.836 6.918 0.000) 10.453 0.890 ( -5.396 4.817 0.000) 7.233 1.232 ( -3.172 -3.272 0.000) 4.557 1.261 ( -0.755 -3.804 0.000) 3.878 1.484 ( 11.131 10.126 0.000) 15.048 1.533 ( -1.945 5.948 0.000) 6.258 1.687 ( -4.258 -7.816 0.000) 8.900 1.708 ( 8.944 -10.137 0.000) 13.518 2.034 ( 2.934 3.728 0.000) 4.744 2.068 ( 15.234 0.850 0.000) 15.257 2.079 ( 11.174 5.710 0.000) 12.548 2.086 ( -0.075 6.318 0.000) 6.318 2.099 ( 0.833 -2.334 0.000) 2.478 2.311 ( 6.962 -0.271 0.000) 6.968 2.342 ( -0.672 -10.267 0.000) 10.289 2.346 ( 7.095 -2.788 0.000) 7.623 2.703 ( 2.419 6.249 0.000) 6.701 2.753 ( -2.947 -0.813 0.000) 3.057 2.772 ( -0.839 -2.283 0.000) 2.432 2.790 ( 0.929 -1.516 0.000) 1.778 2.889 ( 2.458 1.428 0.000) 2.843 2.972 ( 4.415 -4.926 0.000) 6.615 3.274 ( 4.788 4.391 0.000) 6.497 3.316 ( -3.236 7.585 0.000) 8.246 3.385 ( -1.890 -4.612 0.000) 4.984 3.399 ( -2.412 1.306 0.000) 2.743 3.488 ( 1.572 4.746 0.000) 5.000 3.535 ( -4.673 0.305 0.000) 4.683 3.569 ( 0.685 -0.083 0.000) 0.690 3.585 ( -1.237 -1.310 0.000) 1.802 3.650 ( 5.426 -2.433 0.000) 5.946 3.689 ( 6.385 -3.763 0.000) 7.411 3.722 ( -3.444 -0.204 0.000) 3.450 3.768 ( -0.519 -3.089 0.000) 3.133 4.029 ( 2.781 2.809 0.000) 3.953 4.090 ( 3.433 -2.225 0.000) 4.091 4.350 ( -1.038 2.090 0.000) 2.334 4.404 ( -2.590 -2.699 0.000) 3.741 4.890 ( -1.123 4.535 0.000) 4.672 4.999 ( 0.281 -5.670 0.000) 5.677 5.663 ( -4.200 2.220 0.000) 4.751 5.710 ( -3.305 -2.103 0.000) 3.917 5.832 ( -1.764 3.594 0.000) 4.003 5.874 ( -0.351 0.718 0.000) 0.799 5.909 ( -2.751 -2.176 0.000) 3.508 5.924 ( -2.824 -4.768 0.000) 5.542 6.223 ( -1.608 1.598 0.000) 2.267 6.240 ( -2.868 0.187 0.000) 2.874 6.374 ( -5.789 1.182 0.000) 5.908 6.399 ( -5.832 -1.134 0.000) 5.942 6.612 ( -3.527 3.444 0.000) 4.930 6.676 ( -3.111 -2.413 0.000) 3.937 7.992 ( 2.079 3.042 0.000) 3.684 8.061 ( 1.516 -3.167 0.000) 3.512 8.304 ( 9.064 0.658 0.000) 9.088 8.345 ( 9.065 -2.832 0.000) 9.498 8.699 ( -1.279 2.974 0.000) 3.237 8.748 ( -1.944 -1.641 0.000) 2.544 8.885 ( 0.594 3.666 0.000) 3.714 8.918 ( -1.452 3.329 0.000) 3.632 8.979 ( 1.916 -5.128 0.000) 5.475 9.004 ( -0.408 -4.604 0.000) 4.622 9.691 ( -1.370 7.973 0.000) 8.090 9.857 ( -1.313 -7.268 0.000) 7.386 10.550 ( -2.368 4.297 0.000) 4.906 10.632 ( -1.816 -3.008 0.000) 3.514 10.789 ( 0.334 5.377 0.000) 5.388 10.893 ( 0.770 -3.533 0.000) 3.616 10.931 ( 1.637 1.603 0.000) 2.291 10.981 ( 2.019 -3.381 0.000) 3.938 11.355 ( -4.706 18.030 0.000) 18.634 11.516 ( -3.936 1.978 0.000) 4.405 11.567 ( -3.684 -2.258 0.000) 4.321 11.709 ( -3.918 -14.436 0.000) 14.958 12.380 ( 0.424 2.616 0.000) 2.650 12.423 ( -0.551 -1.314 0.000) 1.425 12.657 ( -12.170 15.531 0.000) 19.731 12.791 ( -0.450 10.175 0.000) 10.185 12.998 ( -17.219 -15.215 0.000) 22.978 13.059 ( -3.701 -14.213 0.000) 14.687 15.371 ( 1.190 2.830 0.000) 3.070 15.415 ( -0.474 0.517 0.000) 0.701 15.460 ( -0.202 4.824 0.000) 4.829 15.610 ( -2.172 -7.025 0.000) 7.353 ======================= Grid point 26 (17/54) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -6.342 11.247 0.000) 12.912 0.842 ( 0.809 3.045 0.000) 3.150 1.158 ( -4.653 -4.093 0.000) 6.197 1.236 ( -1.943 -7.716 0.000) 7.957 1.515 ( 0.396 3.982 0.000) 4.002 1.637 ( -0.805 -6.367 0.000) 6.418 1.669 ( 7.672 7.529 0.000) 10.749 1.846 ( 5.087 -8.534 0.000) 9.935 2.049 ( -1.076 14.088 0.000) 14.129 2.074 ( 1.355 0.996 0.000) 1.682 2.124 ( 1.700 -3.441 0.000) 3.839 2.256 ( 5.238 1.854 0.000) 5.556 2.290 ( 4.832 -4.318 0.000) 6.480 2.341 ( 2.033 -6.539 0.000) 6.847 2.456 ( 7.964 1.643 0.000) 8.132 2.486 ( 6.973 -0.833 0.000) 7.023 2.700 ( -2.033 2.090 0.000) 2.915 2.751 ( 2.189 5.616 0.000) 6.027 2.759 ( -0.690 -2.790 0.000) 2.874 2.811 ( 1.339 -0.436 0.000) 1.408 2.925 ( 0.736 3.299 0.000) 3.380 3.028 ( 0.706 -3.621 0.000) 3.689 3.247 ( -3.673 5.867 0.000) 6.922 3.304 ( -2.622 2.319 0.000) 3.500 3.351 ( -2.201 -0.362 0.000) 2.231 3.357 ( 2.866 -2.065 0.000) 3.532 3.461 ( -2.199 -0.093 0.000) 2.201 3.525 ( -1.401 5.253 0.000) 5.436 3.527 ( -3.305 -4.671 0.000) 5.722 3.621 ( 3.278 -1.602 0.000) 3.648 3.711 ( 2.112 0.543 0.000) 2.181 3.756 ( 4.461 1.479 0.000) 4.700 3.779 ( 3.287 -4.463 0.000) 5.543 3.814 ( 5.250 -3.209 0.000) 6.153 4.081 ( 2.396 2.669 0.000) 3.587 4.145 ( 2.243 -2.883 0.000) 3.653 4.337 ( -0.528 0.551 0.000) 0.763 4.363 ( -1.654 -1.758 0.000) 2.414 4.862 ( -1.730 5.526 0.000) 5.791 4.989 ( -1.275 -6.334 0.000) 6.461 5.579 ( -4.059 3.073 0.000) 5.091 5.644 ( -3.249 -2.838 0.000) 4.314 5.804 ( -1.065 2.465 0.000) 2.686 5.865 ( -1.150 0.175 0.000) 1.163 5.876 ( -2.030 -4.122 0.000) 4.595 5.878 ( 0.172 -0.917 0.000) 0.933 6.174 ( -2.897 2.063 0.000) 3.556 6.194 ( -1.904 0.464 0.000) 1.959 6.277 ( -4.016 1.048 0.000) 4.151 6.299 ( -4.243 -1.036 0.000) 4.367 6.548 ( -2.849 3.881 0.000) 4.814 6.618 ( -2.658 -2.535 0.000) 3.673 8.017 ( 0.715 2.461 0.000) 2.563 8.073 ( 0.068 -2.639 0.000) 2.640 8.453 ( 5.871 1.057 0.000) 5.966 8.501 ( 6.742 -3.042 0.000) 7.396 8.670 ( -1.382 2.174 0.000) 2.576 8.711 ( -1.584 -1.628 0.000) 2.272 8.894 ( -1.027 4.336 0.000) 4.455 8.897 ( 0.413 4.817 0.000) 4.835 8.997 ( -0.281 -5.128 0.000) 5.136 9.015 ( 1.478 -5.987 0.000) 6.167 9.669 ( -0.868 7.444 0.000) 7.495 9.831 ( -1.212 -7.420 0.000) 7.518 10.526 ( -0.402 4.308 0.000) 4.327 10.614 ( -0.242 -3.496 0.000) 3.505 10.793 ( 0.142 5.802 0.000) 5.804 10.905 ( 0.440 -3.729 0.000) 3.755 10.956 ( 0.979 1.646 0.000) 1.915 11.012 ( 1.080 -3.983 0.000) 4.127 11.295 ( -1.675 17.750 0.000) 17.829 11.461 ( -1.671 2.865 0.000) 3.316 11.518 ( -1.409 -1.917 0.000) 2.379 11.660 ( -1.357 -15.507 0.000) 15.566 12.382 ( -0.040 1.732 0.000) 1.733 12.405 ( -1.106 -0.485 0.000) 1.208 12.446 ( -9.003 10.667 0.000) 13.958 12.683 ( -14.436 -10.720 0.000) 17.981 12.763 ( -1.765 7.321 0.000) 7.531 12.947 ( -6.811 -9.383 0.000) 11.595 15.393 ( 1.063 1.967 0.000) 2.236 15.415 ( 0.343 0.112 0.000) 0.360 15.468 ( 0.690 3.693 0.000) 3.757 15.579 ( -1.095 -5.501 0.000) 5.609 ======================= Grid point 27 (18/54) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -2.271 17.457 0.000) 17.604 0.908 ( 5.229 3.793 0.000) 6.460 1.049 ( -6.147 -8.462 0.000) 10.459 1.197 ( -1.436 -10.912 0.000) 11.006 1.541 ( 1.415 4.040 0.000) 4.280 1.640 ( 0.452 -4.445 0.000) 4.468 1.772 ( 2.786 5.477 0.000) 6.145 1.906 ( 1.296 -6.766 0.000) 6.889 2.038 ( -0.196 15.037 0.000) 15.038 2.093 ( 0.583 0.959 0.000) 1.122 2.153 ( 0.954 -4.503 0.000) 4.603 2.300 ( -0.457 -9.894 0.000) 9.905 2.304 ( 0.541 3.121 0.000) 3.167 2.388 ( 0.829 -4.184 0.000) 4.266 2.592 ( 4.735 1.525 0.000) 4.975 2.597 ( 3.706 1.233 0.000) 3.906 2.686 ( 0.195 3.277 0.000) 3.283 2.747 ( -0.423 -2.347 0.000) 2.385 2.780 ( 0.805 5.230 0.000) 5.292 2.836 ( 0.917 -0.483 0.000) 1.036 2.912 ( -1.381 3.421 0.000) 3.689 3.008 ( -1.655 -2.383 0.000) 2.901 3.183 ( -2.251 5.913 0.000) 6.327 3.278 ( -0.186 6.961 0.000) 6.963 3.326 ( -0.458 -1.579 0.000) 1.644 3.422 ( 2.728 -3.729 0.000) 4.620 3.452 ( 0.596 -2.477 0.000) 2.548 3.479 ( -1.499 -3.266 0.000) 3.593 3.482 ( -1.161 3.049 0.000) 3.263 3.591 ( -3.514 -4.867 0.000) 6.003 3.807 ( 4.583 1.940 0.000) 4.976 3.810 ( 1.237 2.683 0.000) 2.955 3.857 ( 2.702 -2.745 0.000) 3.852 3.881 ( 1.676 -3.461 0.000) 3.845 4.115 ( 1.015 2.255 0.000) 2.473 4.175 ( 0.813 -3.053 0.000) 3.159 4.329 ( -0.149 -0.418 0.000) 0.444 4.337 ( -0.987 -1.101 0.000) 1.479 4.833 ( -0.915 5.691 0.000) 5.764 4.962 ( -1.040 -6.269 0.000) 6.354 5.521 ( -1.684 3.584 0.000) 3.960 5.597 ( -1.378 -3.317 0.000) 3.592 5.790 ( -0.343 1.701 0.000) 1.735 5.849 ( -0.721 -3.704 0.000) 3.773 5.851 ( -0.318 1.442 0.000) 1.476 5.888 ( 0.457 -2.001 0.000) 2.053 6.130 ( -1.352 3.059 0.000) 3.345 6.166 ( -0.856 0.048 0.000) 0.857 6.224 ( -1.388 0.876 0.000) 1.642 6.242 ( -1.530 -0.851 0.000) 1.751 6.509 ( -1.100 4.093 0.000) 4.238 6.580 ( -1.061 -2.528 0.000) 2.742 8.024 ( 0.137 2.075 0.000) 2.080 8.071 ( -0.122 -2.205 0.000) 2.208 8.527 ( 1.883 1.818 0.000) 2.618 8.594 ( 2.590 -3.809 0.000) 4.606 8.650 ( -0.610 1.872 0.000) 1.968 8.691 ( -0.433 -1.987 0.000) 2.034 8.880 ( -0.366 4.923 0.000) 4.937 8.900 ( -0.019 5.684 0.000) 5.684 8.993 ( -0.095 -5.396 0.000) 5.397 9.033 ( 0.417 -6.489 0.000) 6.503 9.658 ( -0.262 6.882 0.000) 6.887 9.814 ( -0.506 -7.311 0.000) 7.329 10.525 ( 0.099 4.163 0.000) 4.164 10.614 ( 0.102 -3.704 0.000) 3.705 10.795 ( 0.003 5.974 0.000) 5.974 10.910 ( 0.129 -3.907 0.000) 3.910 10.968 ( 0.287 1.536 0.000) 1.563 11.024 ( 0.223 -4.223 0.000) 4.229 11.279 ( -0.282 17.701 0.000) 17.703 11.447 ( -0.098 3.621 0.000) 3.622 11.505 ( -0.159 -1.323 0.000) 1.332 11.647 ( -0.199 -15.857 0.000) 15.858 12.329 ( -2.809 6.030 0.000) 6.652 12.382 ( 0.051 0.992 0.000) 0.993 12.388 ( -0.611 0.274 0.000) 0.670 12.473 ( -6.338 -6.773 0.000) 9.276 12.745 ( 0.154 3.180 0.000) 3.184 12.831 ( -4.203 -4.640 0.000) 6.260 15.409 ( 0.500 0.833 0.000) 0.971 15.421 ( 0.150 -0.325 0.000) 0.358 15.480 ( 0.401 3.456 0.000) 3.480 15.566 ( -0.342 -4.092 0.000) 4.106 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 0.000 19.866) 19.866 0.493 ( 0.000 0.000 20.738) 20.738 0.666 ( 0.000 0.000 23.341) 23.341 0.987 ( 0.000 0.000 -0.271) 0.271 1.270 ( 0.000 0.000 15.157) 15.157 1.452 ( 0.000 0.000 -3.586) 3.586 1.501 ( 0.000 0.000 -0.012) 0.012 1.597 ( 0.000 0.000 1.154) 1.154 1.701 ( 0.000 0.000 -15.847) 15.847 1.713 ( 0.000 0.000 -15.580) 15.580 1.715 ( 0.000 0.000 1.817) 1.817 1.725 ( 0.000 0.000 4.968) 4.968 2.174 ( 0.000 0.000 -9.738) 9.738 2.465 ( 0.000 0.000 3.267) 3.267 2.502 ( 0.000 0.000 -2.368) 2.368 2.585 ( 0.000 0.000 11.604) 11.604 2.751 ( 0.000 0.000 -17.441) 17.441 2.757 ( 0.000 0.000 1.595) 1.595 2.811 ( 0.000 0.000 -2.652) 2.652 2.862 ( 0.000 0.000 1.663) 1.663 2.879 ( 0.000 0.000 3.209) 3.209 2.964 ( 0.000 0.000 -3.701) 3.701 3.032 ( 0.000 0.000 -0.251) 0.251 3.079 ( 0.000 0.000 4.762) 4.762 3.165 ( 0.000 0.000 -7.436) 7.436 3.360 ( 0.000 0.000 -3.314) 3.314 3.443 ( 0.000 0.000 4.000) 4.000 3.445 ( 0.000 0.000 2.378) 2.378 3.455 ( 0.000 0.000 -2.449) 2.449 3.584 ( 0.000 0.000 -6.316) 6.316 3.585 ( 0.000 0.000 -0.849) 0.849 3.670 ( 0.000 0.000 1.040) 1.040 4.020 ( 0.000 0.000 23.669) 23.669 4.097 ( 0.000 0.000 1.052) 1.052 4.157 ( 0.000 0.000 -0.856) 0.856 4.267 ( 0.000 0.000 6.768) 6.768 4.663 ( 0.000 0.000 2.929) 2.929 4.720 ( 0.000 0.000 -8.300) 8.300 4.802 ( 0.000 0.000 0.008) 0.008 4.893 ( 0.000 0.000 -13.106) 13.106 5.739 ( 0.000 0.000 -0.559) 0.559 5.745 ( 0.000 0.000 -0.108) 0.108 5.924 ( 0.000 0.000 1.594) 1.594 5.995 ( 0.000 0.000 -1.463) 1.463 6.007 ( 0.000 0.000 2.591) 2.591 6.156 ( 0.000 0.000 -2.669) 2.669 6.277 ( 0.000 0.000 4.678) 4.678 6.464 ( 0.000 0.000 -2.564) 2.564 6.623 ( 0.000 0.000 3.132) 3.132 6.657 ( 0.000 0.000 0.344) 0.344 6.670 ( 0.000 0.000 -0.242) 0.242 6.788 ( 0.000 0.000 -2.691) 2.691 7.824 ( 0.000 0.000 0.148) 0.148 7.827 ( 0.000 0.000 0.067) 0.067 7.920 ( 0.000 0.000 0.388) 0.388 7.927 ( 0.000 0.000 0.215) 0.215 8.212 ( 0.000 0.000 4.493) 4.493 8.480 ( 0.000 0.000 -4.821) 4.821 8.796 ( 0.000 0.000 -2.526) 2.526 8.842 ( 0.000 0.000 -4.536) 4.536 9.296 ( 0.000 0.000 4.422) 4.422 9.422 ( 0.000 0.000 0.279) 0.279 9.996 ( 0.000 0.000 0.567) 0.567 10.034 ( 0.000 0.000 -0.864) 0.864 10.249 ( 0.000 0.000 3.546) 3.546 10.599 ( 0.000 0.000 -12.214) 12.214 10.761 ( 0.000 0.000 -0.750) 0.750 10.772 ( 0.000 0.000 -0.993) 0.993 11.121 ( 0.000 0.000 10.410) 10.410 11.325 ( 0.000 0.000 13.735) 13.735 11.587 ( 0.000 0.000 -6.655) 6.655 11.775 ( 0.000 0.000 -5.485) 5.485 12.033 ( 0.000 0.000 3.906) 3.906 12.149 ( 0.000 0.000 -0.738) 0.738 12.401 ( 0.000 0.000 2.921) 2.921 12.424 ( 0.000 0.000 0.939) 0.939 12.537 ( 0.000 0.000 -2.708) 2.708 12.565 ( 0.000 0.000 -2.979) 2.979 14.084 ( 0.000 0.000 2.367) 2.367 14.214 ( 0.000 0.000 -2.279) 2.279 15.090 ( 0.000 0.000 1.536) 1.536 15.169 ( 0.000 0.000 -1.266) 1.266 15.554 ( 0.000 0.000 2.603) 2.603 15.695 ( 0.000 0.000 -2.393) 2.393 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 13.548 0.000 10.272) 17.002 0.587 ( 8.770 0.000 16.833) 18.981 0.866 ( 15.421 0.000 15.527) 21.883 0.937 ( -4.887 0.000 -0.203) 4.891 1.325 ( 4.548 0.000 3.807) 5.932 1.498 ( -6.643 0.000 0.040) 6.643 1.510 ( 6.254 0.000 -3.632) 7.233 1.573 ( 6.461 0.000 4.151) 7.680 1.670 ( 1.293 0.000 -16.240) 16.291 1.699 ( -1.794 0.000 4.841) 5.162 1.784 ( 7.859 0.000 5.819) 9.779 1.898 ( 9.533 0.000 -9.581) 13.516 2.162 ( -0.430 0.000 -9.166) 9.176 2.463 ( -0.497 0.000 2.903) 2.945 2.464 ( -2.834 0.000 -2.184) 3.578 2.577 ( -0.993 0.000 10.835) 10.881 2.736 ( -1.961 0.000 -7.926) 8.165 2.746 ( -1.376 0.000 0.479) 1.457 2.820 ( 1.961 0.000 -11.477) 11.644 2.834 ( -2.049 0.000 -0.967) 2.266 2.882 ( 0.291 0.000 0.187) 0.345 3.016 ( -1.128 0.000 -0.358) 1.183 3.045 ( 6.764 0.000 0.521) 6.784 3.107 ( 1.587 0.000 5.834) 6.046 3.201 ( 3.151 0.000 -3.752) 4.899 3.336 ( -1.667 0.000 -2.112) 2.691 3.384 ( -3.912 0.000 3.244) 5.082 3.437 ( -0.342 0.000 0.937) 0.997 3.458 ( 0.313 0.000 -4.203) 4.215 3.629 ( 2.289 0.000 -6.732) 7.110 3.645 ( 4.744 0.000 -2.024) 5.157 3.680 ( 2.241 0.000 -0.209) 2.250 3.985 ( -3.172 0.000 19.472) 19.729 4.082 ( -1.605 0.000 1.741) 2.368 4.106 ( -4.585 0.000 2.246) 5.106 4.292 ( 2.116 0.000 5.760) 6.137 4.419 ( -22.393 0.000 13.182) 25.985 4.668 ( 0.442 0.000 4.374) 4.396 4.729 ( 0.534 0.000 -7.603) 7.621 5.001 ( 2.893 0.000 -9.958) 10.370 5.728 ( -1.168 0.000 -0.333) 1.214 5.743 ( -0.216 0.000 -0.302) 0.371 5.917 ( -1.283 0.000 1.384) 1.887 5.956 ( -2.784 0.000 4.723) 5.482 5.992 ( -0.378 0.000 -1.582) 1.627 6.139 ( -1.734 0.000 -2.727) 3.232 6.232 ( -2.474 0.000 2.462) 3.490 6.412 ( -5.178 0.000 -3.436) 6.214 6.600 ( -2.768 0.000 3.786) 4.690 6.638 ( -1.972 0.000 0.457) 2.024 6.642 ( -2.821 0.000 0.167) 2.826 6.778 ( -1.146 0.000 -2.738) 2.969 7.818 ( 1.183 0.000 -0.027) 1.183 7.886 ( 5.516 0.000 -5.424) 7.736 8.021 ( 7.167 0.000 2.195) 7.496 8.208 ( 19.389 0.000 -10.237) 21.925 8.242 ( 3.038 0.000 4.503) 5.432 8.511 ( 3.783 0.000 -5.136) 6.379 8.785 ( -1.015 0.000 -2.642) 2.830 8.825 ( -1.625 0.000 -4.129) 4.437 9.293 ( -0.308 0.000 4.528) 4.539 9.418 ( -0.384 0.000 0.207) 0.436 9.879 ( -11.367 0.000 9.128) 14.578 10.031 ( -0.329 0.000 -1.523) 1.558 10.264 ( 1.616 0.000 3.468) 3.826 10.602 ( 0.308 0.000 -11.346) 11.350 10.740 ( -2.090 0.000 0.115) 2.093 10.778 ( 0.610 0.000 -1.584) 1.697 11.110 ( -0.831 0.000 8.975) 9.014 11.170 ( -16.932 0.000 15.326) 22.838 11.547 ( -6.681 0.000 1.347) 6.815 11.650 ( -16.040 0.000 19.039) 24.895 11.715 ( -5.904 0.000 -7.326) 9.408 12.130 ( -1.617 0.000 -1.295) 2.072 12.247 ( -0.629 0.000 0.735) 0.968 12.304 ( -6.027 0.000 -5.239) 7.985 12.633 ( 5.602 0.000 6.470) 8.559 12.715 ( 1.518 0.000 6.675) 6.845 13.915 ( -11.105 0.000 1.088) 11.158 14.080 ( -13.153 0.000 -3.500) 13.611 15.105 ( 1.562 0.000 1.594) 2.231 15.185 ( 1.648 0.000 -1.270) 2.080 15.552 ( -0.325 0.000 3.129) 3.146 15.788 ( 3.531 0.000 -7.974) 8.721 ======================= Grid point 57 (21/54) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 2.310 0.000 7.752) 8.088 0.837 ( 9.175 0.000 -1.199) 9.253 0.847 ( 2.557 0.000 4.338) 5.035 1.105 ( 8.799 0.000 8.779) 12.430 1.393 ( -3.870 0.000 4.237) 5.739 1.413 ( 4.794 0.000 -7.558) 8.950 1.636 ( 2.418 0.000 -2.407) 3.412 1.698 ( 6.590 0.000 -0.158) 6.592 1.704 ( 1.645 0.000 -14.365) 14.459 1.791 ( 15.767 0.000 10.169) 18.762 1.975 ( -1.784 0.000 -7.712) 7.916 2.003 ( 12.681 0.000 7.665) 14.817 2.210 ( 4.108 0.000 -4.524) 6.110 2.422 ( -0.895 0.000 -2.220) 2.393 2.447 ( -0.739 0.000 2.140) 2.264 2.554 ( -1.041 0.000 10.313) 10.365 2.693 ( -3.892 0.000 -2.242) 4.492 2.705 ( -0.060 0.000 -3.190) 3.191 2.810 ( -0.653 0.000 -0.320) 0.728 2.859 ( -0.100 0.000 -5.696) 5.697 2.910 ( 4.113 0.000 -10.884) 11.635 2.989 ( -1.872 0.000 -1.016) 2.130 3.116 ( -0.947 0.000 7.099) 7.162 3.156 ( 3.064 0.000 3.644) 4.761 3.255 ( 2.096 0.000 0.674) 2.202 3.329 ( -1.128 0.000 5.244) 5.364 3.336 ( 2.638 0.000 -0.815) 2.761 3.446 ( 1.114 0.000 -1.545) 1.904 3.503 ( 5.153 0.000 -7.649) 9.223 3.618 ( -1.793 0.000 -3.263) 3.724 3.740 ( 4.522 0.000 -3.307) 5.603 3.777 ( 5.507 0.000 -4.351) 7.019 3.915 ( -3.270 0.000 9.500) 10.047 4.011 ( -8.175 0.000 9.480) 12.518 4.012 ( -4.237 0.000 6.159) 7.475 4.099 ( -8.447 0.000 5.688) 10.183 4.339 ( 2.635 0.000 5.945) 6.503 4.673 ( -0.206 0.000 6.241) 6.244 4.730 ( -0.727 0.000 -5.200) 5.250 5.037 ( 1.356 0.000 -9.396) 9.493 5.693 ( -2.454 0.000 0.599) 2.526 5.738 ( -0.207 0.000 -0.787) 0.814 5.861 ( -3.698 0.000 2.258) 4.333 5.936 ( -0.299 0.000 2.304) 2.323 5.973 ( -1.795 0.000 -2.001) 2.688 6.092 ( -2.973 0.000 -2.882) 4.141 6.189 ( -2.250 0.000 -0.511) 2.307 6.286 ( -7.105 0.000 -3.469) 7.907 6.522 ( -4.958 0.000 4.881) 6.958 6.565 ( -4.914 0.000 1.028) 5.021 6.580 ( -3.999 0.000 0.530) 4.034 6.742 ( -2.541 0.000 -3.174) 4.066 7.875 ( 4.098 0.000 0.626) 4.146 8.026 ( 8.473 0.000 -7.699) 11.448 8.151 ( 5.465 0.000 4.898) 7.338 8.327 ( 5.582 0.000 4.357) 7.081 8.444 ( 5.725 0.000 -7.378) 9.339 8.654 ( 8.729 0.000 -9.512) 12.910 8.767 ( 0.136 0.000 -2.321) 2.325 8.791 ( -1.492 0.000 -3.021) 3.369 9.286 ( -0.417 0.000 4.834) 4.852 9.411 ( -0.227 0.000 -0.090) 0.244 9.620 ( -13.608 0.000 17.937) 22.514 10.016 ( -1.310 0.000 -3.621) 3.851 10.310 ( 2.992 0.000 3.455) 4.571 10.612 ( 0.748 0.000 -8.822) 8.853 10.688 ( -2.920 0.000 1.533) 3.298 10.794 ( 0.985 0.000 -3.287) 3.432 10.880 ( -9.754 0.000 10.409) 14.265 11.100 ( -0.067 0.000 5.004) 5.004 11.402 ( -5.264 0.000 18.867) 19.588 11.547 ( -2.886 0.000 -2.289) 3.684 11.574 ( -7.907 0.000 -10.075) 12.807 12.092 ( -2.469 0.000 -6.725) 7.164 12.212 ( -3.123 0.000 -2.048) 3.735 12.269 ( 1.868 0.000 0.126) 1.873 12.685 ( -3.399 0.000 9.897) 10.465 12.697 ( 0.693 0.000 10.554) 10.577 13.692 ( -12.491 0.000 -4.249) 13.194 13.742 ( -20.719 0.000 -4.887) 21.288 15.150 ( 3.023 0.000 1.683) 3.459 15.230 ( 3.001 0.000 -1.255) 3.252 15.540 ( -0.837 0.000 3.730) 3.822 15.795 ( -1.825 0.000 -6.080) 6.348 ======================= Grid point 58 (22/54) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -5.603 0.000 2.325) 6.067 0.844 ( -6.644 0.000 -4.263) 7.894 1.052 ( 12.007 0.000 7.630) 14.226 1.305 ( 11.907 0.000 5.423) 13.084 1.358 ( 0.348 0.000 7.847) 7.855 1.469 ( -0.256 0.000 -1.870) 1.888 1.685 ( 5.200 0.000 -8.972) 10.370 1.725 ( 0.599 0.000 -9.782) 9.800 1.894 ( -5.850 0.000 -7.041) 9.154 1.914 ( 12.911 0.000 -5.924) 14.205 2.088 ( 12.242 0.000 7.007) 14.106 2.226 ( 10.436 0.000 5.638) 11.861 2.231 ( -1.328 0.000 1.817) 2.251 2.416 ( -1.006 0.000 -2.401) 2.604 2.454 ( 1.922 0.000 2.156) 2.889 2.567 ( 2.800 0.000 7.465) 7.973 2.615 ( -3.839 0.000 -1.676) 4.188 2.738 ( 2.117 0.000 -0.403) 2.155 2.785 ( -2.367 0.000 0.734) 2.478 2.840 ( -0.909 0.000 -4.050) 4.151 2.942 ( -2.770 0.000 -1.640) 3.219 2.990 ( 2.670 0.000 -9.015) 9.402 3.074 ( -3.140 0.000 7.860) 8.464 3.191 ( 2.480 0.000 -1.321) 2.810 3.254 ( -1.363 0.000 1.462) 1.999 3.393 ( 0.150 0.000 -5.001) 5.004 3.395 ( 7.231 0.000 3.144) 7.885 3.458 ( 0.634 0.000 2.155) 2.247 3.616 ( 2.631 0.000 -2.705) 3.774 3.650 ( 9.187 0.000 -4.378) 10.177 3.750 ( -6.867 0.000 6.428) 9.406 3.796 ( -2.443 0.000 7.968) 8.334 3.874 ( -0.131 0.000 1.343) 1.349 3.929 ( 1.763 0.000 0.408) 1.810 3.982 ( 3.141 0.000 -2.432) 3.973 4.021 ( -2.239 0.000 -0.128) 2.243 4.386 ( 2.052 0.000 6.533) 6.848 4.652 ( -1.937 0.000 6.780) 7.052 4.700 ( -2.246 0.000 -2.418) 3.300 5.054 ( 0.184 0.000 -10.435) 10.437 5.633 ( -3.708 0.000 2.593) 4.525 5.736 ( 0.027 0.000 -1.397) 1.398 5.787 ( -3.807 0.000 1.393) 4.054 5.917 ( -3.863 0.000 -2.716) 4.722 5.930 ( -0.310 0.000 1.109) 1.152 6.032 ( -3.145 0.000 -2.778) 4.197 6.142 ( -2.498 0.000 -1.409) 2.868 6.164 ( -4.983 0.000 -1.795) 5.296 6.420 ( -5.199 0.000 5.700) 7.715 6.462 ( -5.509 0.000 1.609) 5.739 6.490 ( -4.988 0.000 0.300) 4.997 6.683 ( -3.427 0.000 -3.870) 5.170 7.957 ( 4.026 0.000 2.499) 4.739 8.190 ( 7.875 0.000 -9.409) 12.269 8.216 ( 1.264 0.000 6.116) 6.245 8.442 ( 5.782 0.000 3.460) 6.738 8.521 ( 3.057 0.000 -4.388) 5.348 8.698 ( -1.255 0.000 -6.281) 6.405 8.778 ( 0.215 0.000 -1.202) 1.221 8.867 ( 6.982 0.000 -3.543) 7.829 9.279 ( -0.215 0.000 5.323) 5.327 9.388 ( -10.146 0.000 16.384) 19.271 9.413 ( 0.478 0.000 -0.700) 0.848 9.980 ( -2.361 0.000 -6.767) 7.167 10.374 ( 3.412 0.000 3.723) 5.050 10.630 ( 1.057 0.000 -5.325) 5.429 10.641 ( -1.727 0.000 1.794) 2.490 10.759 ( -3.606 0.000 1.624) 3.955 10.818 ( 1.172 0.000 -3.021) 3.240 11.109 ( 0.902 0.000 0.212) 0.927 11.327 ( -2.747 0.000 17.933) 18.142 11.430 ( -6.646 0.000 -9.403) 11.514 11.493 ( -2.650 0.000 -2.588) 3.704 12.039 ( -2.546 0.000 -11.363) 11.645 12.185 ( -0.044 0.000 4.272) 4.272 12.303 ( 1.447 0.000 0.763) 1.636 12.615 ( -3.114 0.000 6.889) 7.560 12.665 ( -3.639 0.000 10.571) 11.180 13.317 ( -22.218 0.000 -4.298) 22.629 13.428 ( -14.559 0.000 -6.078) 15.777 15.219 ( 4.023 0.000 1.695) 4.366 15.297 ( 3.794 0.000 -1.193) 3.977 15.520 ( -1.211 0.000 3.708) 3.901 15.744 ( -3.097 0.000 -4.295) 5.295 ======================= Grid point 59 (23/54) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -1.824 0.000 1.784) 2.551 0.675 ( -9.353 0.000 -1.792) 9.523 1.262 ( 9.233 0.000 6.769) 11.449 1.410 ( 4.945 0.000 6.710) 8.335 1.433 ( -2.281 0.000 1.408) 2.681 1.522 ( 9.608 0.000 1.807) 9.776 1.720 ( -3.475 0.000 -4.101) 5.376 1.772 ( -3.968 0.000 -2.809) 4.862 1.804 ( 5.986 0.000 -11.863) 13.288 2.126 ( 6.118 0.000 -11.893) 13.374 2.199 ( -1.480 0.000 2.938) 3.290 2.255 ( 8.547 0.000 0.203) 8.549 2.379 ( -2.436 0.000 -0.676) 2.528 2.406 ( 6.829 0.000 6.539) 9.454 2.525 ( 4.445 0.000 3.732) 5.804 2.551 ( -2.259 0.000 -1.672) 2.811 2.633 ( 3.204 0.000 1.711) 3.632 2.732 ( -2.062 0.000 3.658) 4.199 2.744 ( -0.857 0.000 3.247) 3.358 2.842 ( 0.382 0.000 -3.137) 3.160 2.889 ( -2.687 0.000 -0.257) 2.699 2.997 ( -4.768 0.000 7.652) 9.016 3.017 ( 0.930 0.000 -4.312) 4.411 3.235 ( -0.778 0.000 -4.821) 4.883 3.238 ( -0.082 0.000 0.155) 0.176 3.357 ( 0.532 0.000 -7.337) 7.356 3.489 ( 1.206 0.000 1.253) 1.739 3.507 ( -1.842 0.000 -1.159) 2.177 3.633 ( 2.269 0.000 8.523) 8.820 3.686 ( 3.196 0.000 0.538) 3.241 3.764 ( -0.226 0.000 6.321) 6.325 3.819 ( 5.597 0.000 2.725) 6.225 3.900 ( 2.353 0.000 -0.479) 2.401 3.943 ( 0.852 0.000 2.176) 2.336 4.006 ( 0.766 0.000 -3.961) 4.034 4.083 ( 5.059 0.000 -7.537) 9.078 4.416 ( 1.102 0.000 7.279) 7.362 4.603 ( -2.914 0.000 6.100) 6.760 4.651 ( -2.475 0.000 -0.940) 2.647 5.040 ( -1.533 0.000 -11.255) 11.359 5.556 ( -3.989 0.000 4.757) 6.208 5.721 ( -2.873 0.000 0.622) 2.940 5.740 ( 0.248 0.000 -1.880) 1.896 5.840 ( -3.592 0.000 -3.123) 4.759 5.931 ( 0.631 0.000 -0.287) 0.693 5.976 ( -2.469 0.000 -2.776) 3.715 6.095 ( -2.419 0.000 -0.209) 2.428 6.095 ( -2.390 0.000 -0.608) 2.466 6.331 ( -3.897 0.000 6.135) 7.268 6.364 ( -4.245 0.000 1.577) 4.529 6.399 ( -4.168 0.000 -0.012) 4.168 6.617 ( -3.098 0.000 -4.491) 5.456 8.027 ( 3.260 0.000 5.151) 6.096 8.210 ( -1.459 0.000 5.782) 5.963 8.316 ( 4.971 0.000 -9.441) 10.669 8.536 ( 3.787 0.000 2.269) 4.415 8.563 ( 1.024 0.000 -5.385) 5.481 8.681 ( -0.031 0.000 -4.424) 4.424 8.792 ( 0.988 0.000 0.695) 1.207 8.976 ( 4.366 0.000 0.148) 4.369 9.224 ( -6.659 0.000 12.196) 13.895 9.280 ( 0.084 0.000 4.839) 4.840 9.429 ( 1.089 0.000 -1.433) 1.800 9.931 ( -2.493 0.000 -9.698) 10.013 10.433 ( 2.529 0.000 4.080) 4.801 10.623 ( -0.227 0.000 1.273) 1.293 10.650 ( 0.908 0.000 -1.703) 1.930 10.713 ( -1.471 0.000 -1.473) 2.081 10.841 ( 1.044 0.000 -4.554) 4.672 11.131 ( 1.261 0.000 -4.968) 5.126 11.291 ( -1.119 0.000 17.258) 17.294 11.323 ( -4.331 0.000 -5.243) 6.801 11.448 ( -1.892 0.000 -1.891) 2.675 12.011 ( -0.208 0.000 -11.617) 11.619 12.198 ( 1.218 0.000 6.509) 6.622 12.318 ( -0.005 0.000 2.352) 2.352 12.576 ( -4.940 0.000 8.779) 10.073 12.590 ( 1.034 0.000 1.532) 1.848 12.917 ( -18.184 0.000 -1.926) 18.286 13.145 ( -14.187 0.000 -6.157) 15.465 15.300 ( 4.154 0.000 1.613) 4.456 15.371 ( 3.654 0.000 -1.086) 3.812 15.493 ( -1.695 0.000 3.396) 3.795 15.684 ( -2.907 0.000 -3.289) 4.389 ======================= Grid point 60 (24/54) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -4.552 0.000 0.437) 4.573 0.580 ( 0.011 0.000 0.495) 0.495 1.398 ( -1.044 0.000 2.056) 2.306 1.417 ( 7.406 0.000 5.699) 9.345 1.514 ( 4.082 0.000 3.093) 5.122 1.577 ( -8.206 0.000 -0.132) 8.207 1.658 ( 3.891 0.000 0.076) 3.891 1.761 ( -0.052 0.000 3.004) 3.004 1.891 ( 2.555 0.000 -11.801) 12.075 2.163 ( 0.048 0.000 -12.630) 12.631 2.178 ( -0.660 0.000 3.622) 3.681 2.338 ( -1.385 0.000 -2.243) 2.636 2.425 ( 6.116 0.000 -4.025) 7.322 2.474 ( 0.894 0.000 8.312) 8.360 2.509 ( -1.084 0.000 -6.184) 6.278 2.602 ( 2.058 0.000 2.131) 2.963 2.681 ( 1.832 0.000 -0.778) 1.991 2.728 ( -0.893 0.000 4.534) 4.621 2.739 ( 2.217 0.000 9.314) 9.574 2.840 ( -0.245 0.000 -1.059) 1.087 2.846 ( -0.931 0.000 1.314) 1.610 2.897 ( -5.059 0.000 5.380) 7.385 3.029 ( 0.130 0.000 -3.595) 3.598 3.188 ( -1.731 0.000 -4.604) 4.918 3.248 ( 0.817 0.000 0.936) 1.242 3.404 ( -4.251 0.000 2.572) 4.969 3.414 ( 3.093 0.000 -4.230) 5.240 3.487 ( -1.112 0.000 -4.745) 4.874 3.720 ( 0.751 0.000 4.111) 4.179 3.752 ( 5.648 0.000 2.256) 6.082 3.779 ( 0.800 0.000 4.916) 4.980 3.827 ( -2.173 0.000 3.535) 4.150 3.960 ( 0.678 0.000 -0.607) 0.910 3.982 ( 3.299 0.000 2.314) 4.030 4.027 ( 0.636 0.000 -4.767) 4.810 4.151 ( 1.819 0.000 -6.302) 6.560 4.432 ( 0.539 0.000 8.443) 8.461 4.555 ( -1.609 0.000 4.477) 4.757 4.615 ( -1.023 0.000 -1.223) 1.595 5.008 ( -1.219 0.000 -11.352) 11.418 5.496 ( -1.816 0.000 5.842) 6.118 5.681 ( -1.104 0.000 0.416) 1.180 5.744 ( 0.127 0.000 -2.052) 2.056 5.791 ( -1.371 0.000 -3.523) 3.780 5.942 ( -0.871 0.000 -2.928) 3.055 5.953 ( 1.295 0.000 -2.091) 2.460 6.052 ( -1.714 0.000 1.258) 2.127 6.065 ( -0.731 0.000 0.792) 1.078 6.276 ( -1.546 0.000 6.151) 6.342 6.307 ( -1.497 0.000 1.416) 2.061 6.340 ( -1.640 0.000 -0.181) 1.650 6.573 ( -1.279 0.000 -4.860) 5.025 8.080 ( 1.926 0.000 8.358) 8.578 8.176 ( -1.562 0.000 3.781) 4.091 8.381 ( 1.698 0.000 -7.968) 8.147 8.565 ( -0.293 0.000 -8.449) 8.454 8.585 ( 1.267 0.000 1.773) 2.179 8.692 ( 0.597 0.000 -2.270) 2.347 8.807 ( 0.434 0.000 1.631) 1.687 9.047 ( 3.293 0.000 6.240) 7.056 9.120 ( -4.230 0.000 5.213) 6.713 9.284 ( 0.136 0.000 4.802) 4.804 9.448 ( 0.648 0.000 -1.853) 1.963 9.893 ( -1.136 0.000 -11.426) 11.482 10.467 ( 0.890 0.000 4.230) 4.322 10.625 ( 0.162 0.000 0.871) 0.886 10.662 ( 0.333 0.000 1.627) 1.660 10.696 ( -0.362 0.000 -4.216) 4.232 10.855 ( 0.416 0.000 -5.058) 5.075 11.152 ( 0.754 0.000 -11.001) 11.027 11.264 ( -1.651 0.000 0.862) 1.862 11.278 ( -0.258 0.000 16.967) 16.969 11.423 ( -0.685 0.000 -1.319) 1.486 12.024 ( 0.958 0.000 -12.324) 12.361 12.223 ( 0.981 0.000 7.868) 7.929 12.311 ( -0.369 0.000 2.942) 2.965 12.497 ( -2.516 0.000 6.538) 7.005 12.653 ( 4.574 0.000 -2.070) 5.020 12.654 ( -7.773 0.000 1.262) 7.875 12.906 ( -9.259 0.000 -5.470) 10.754 15.372 ( 2.895 0.000 1.232) 3.146 15.428 ( 1.819 0.000 -0.938) 2.047 15.455 ( -1.917 0.000 3.456) 3.952 15.639 ( -1.479 0.000 -2.898) 3.254 ======================= Grid point 66 (25/54) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 8.560 15.938) 18.091 0.600 ( 0.000 11.062 13.087) 17.136 0.843 ( 0.000 9.841 12.651) 16.028 1.060 ( 0.000 5.937 -1.399) 6.100 1.348 ( 0.000 2.948 16.443) 16.705 1.386 ( 0.000 -5.621 -4.235) 7.038 1.444 ( 0.000 1.407 -7.207) 7.344 1.593 ( 0.000 -0.205 -3.503) 3.509 1.675 ( 0.000 -3.181 0.995) 3.333 1.700 ( 0.000 0.211 -10.410) 10.412 1.767 ( 0.000 3.579 -2.710) 4.490 1.828 ( 0.000 6.922 -5.899) 9.095 2.176 ( 0.000 0.436 -8.322) 8.334 2.389 ( 0.000 -8.206 -4.548) 9.382 2.409 ( 0.000 -4.926 6.276) 7.978 2.546 ( 0.000 -3.250 11.657) 12.102 2.711 ( 0.000 -1.868 -5.120) 5.450 2.737 ( 0.000 -4.051 -0.968) 4.165 2.806 ( 0.000 1.230 -9.325) 9.405 2.854 ( 0.000 -3.193 2.366) 3.974 2.885 ( 0.000 0.961 5.203) 5.291 2.897 ( 0.000 -0.555 0.661) 0.864 3.061 ( 0.000 0.033 9.374) 9.374 3.207 ( 0.000 9.149 -7.306) 11.708 3.238 ( 0.000 4.004 -9.393) 10.210 3.378 ( 0.000 3.204 0.071) 3.205 3.398 ( 0.000 -4.567 0.919) 4.659 3.491 ( 0.000 3.517 1.593) 3.861 3.499 ( 0.000 -2.218 -0.754) 2.342 3.525 ( 0.000 6.101 -1.200) 6.218 3.665 ( 0.000 2.221 -3.535) 4.174 3.685 ( 0.000 0.879 -1.211) 1.496 3.966 ( 0.000 -8.562 -0.215) 8.565 3.986 ( 0.000 -3.153 19.320) 19.576 4.172 ( 0.000 -1.652 -1.869) 2.495 4.237 ( 0.000 -5.058 13.517) 14.432 4.613 ( 0.000 -11.582 -1.087) 11.632 4.613 ( 0.000 -2.547 6.611) 7.085 4.765 ( 0.000 2.361 -8.140) 8.475 4.853 ( 0.000 2.642 -3.462) 4.355 5.753 ( 0.000 1.401 0.529) 1.498 5.779 ( 0.000 2.736 -1.117) 2.955 5.906 ( 0.000 0.105 2.813) 2.815 5.931 ( 0.000 -4.185 4.178) 5.913 6.052 ( 0.000 3.949 -2.882) 4.889 6.106 ( 0.000 -4.361 -2.856) 5.213 6.215 ( 0.000 -4.238 3.133) 5.270 6.395 ( 0.000 -6.073 -3.126) 6.830 6.631 ( 0.000 0.625 3.019) 3.084 6.652 ( 0.000 -0.080 0.758) 0.762 6.692 ( 0.000 1.709 -0.677) 1.839 6.783 ( 0.000 -0.557 -2.411) 2.475 7.797 ( 0.000 -0.491 1.312) 1.401 7.877 ( 0.000 2.583 -1.591) 3.034 7.895 ( 0.000 -1.912 1.192) 2.253 7.964 ( 0.000 1.356 -1.881) 2.319 8.436 ( 0.000 12.644 -7.168) 14.534 8.521 ( 0.000 4.155 -4.193) 5.903 8.772 ( 0.000 -2.256 -1.680) 2.813 8.824 ( 0.000 -1.639 -5.465) 5.705 9.263 ( 0.000 -0.697 8.431) 8.460 9.529 ( 0.000 7.306 -2.916) 7.867 9.666 ( 0.000 -15.425 15.476) 21.851 9.972 ( 0.000 -5.139 -2.695) 5.802 10.507 ( 0.000 9.963 -6.534) 11.915 10.653 ( 0.000 4.628 -11.200) 12.118 10.744 ( 0.000 -1.207 -0.858) 1.481 10.790 ( 0.000 1.038 -1.675) 1.970 11.107 ( 0.000 -0.962 11.372) 11.412 11.276 ( 0.000 -4.152 14.453) 15.037 11.595 ( 0.000 0.860 -6.890) 6.943 11.753 ( 0.000 -2.057 -5.759) 6.115 12.055 ( 0.000 2.106 4.986) 5.413 12.200 ( 0.000 4.159 -0.563) 4.197 12.356 ( 0.000 -4.290 4.756) 6.405 12.446 ( 0.000 2.261 2.507) 3.376 12.495 ( 0.000 -5.610 -1.715) 5.866 12.674 ( 0.000 12.499 -4.593) 13.316 13.211 ( 0.000 -36.042 39.335) 53.350 14.011 ( 0.000 -17.418 -5.858) 18.377 15.239 ( 0.000 5.626 0.909) 5.699 15.466 ( 0.000 11.919 -11.721) 16.716 15.536 ( 0.000 -1.736 2.687) 3.199 15.688 ( 0.000 -0.717 -2.681) 2.775 ======================= Grid point 67 (26/54) ======================= q-point: ( 0.09 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 12.257 9.237 6.816) 16.793 0.708 ( 8.699 8.648 10.182) 15.941 0.988 ( 8.994 8.265 8.556) 14.913 1.008 ( -1.200 5.658 -0.728) 5.830 1.370 ( 2.693 1.628 1.774) 3.613 1.424 ( -1.091 -4.635 -6.114) 7.750 1.506 ( 6.476 0.197 2.191) 6.840 1.593 ( 3.707 0.649 2.852) 4.722 1.656 ( -0.729 -1.797 -1.414) 2.400 1.729 ( -0.004 3.361 -2.670) 4.293 1.762 ( 5.831 0.753 -4.552) 7.436 1.946 ( 6.971 2.630 -5.062) 9.008 2.167 ( -0.186 0.648 -5.936) 5.974 2.383 ( -0.148 -5.933 -3.700) 6.994 2.400 ( -0.796 -5.026 5.186) 7.266 2.529 ( -1.774 -3.585 10.874) 11.586 2.672 ( -2.235 -2.688 -0.858) 3.599 2.769 ( 1.599 -2.102 -6.266) 6.800 2.801 ( -0.393 0.787 -5.137) 5.212 2.854 ( 0.421 -2.191 -0.694) 2.337 2.887 ( -0.077 -0.224 -1.551) 1.569 2.923 ( 1.884 -1.350 3.615) 4.295 3.061 ( -0.061 -0.135 9.087) 9.088 3.216 ( -0.276 1.941 -4.049) 4.499 3.237 ( 1.817 7.656 -4.863) 9.250 3.379 ( 0.826 5.453 1.309) 5.669 3.411 ( 0.788 -3.381 -1.774) 3.898 3.468 ( -2.833 3.945 1.047) 4.969 3.487 ( -0.618 3.469 -1.543) 3.847 3.547 ( 2.987 -1.532 -4.259) 5.423 3.680 ( 0.264 0.686 0.195) 0.760 3.734 ( 4.962 2.636 -4.764) 7.367 3.932 ( -2.676 -5.713 7.027) 9.443 3.983 ( -0.945 -4.781 9.878) 11.015 4.125 ( -4.184 -1.954 -0.087) 4.619 4.189 ( -6.977 -8.981 13.823) 17.900 4.427 ( -8.468 2.369 3.996) 9.659 4.631 ( 0.116 -2.755 5.952) 6.559 4.761 ( 0.644 2.581 -7.457) 7.917 4.941 ( 3.959 -2.787 -6.379) 8.009 5.743 ( -1.013 1.350 0.456) 1.748 5.774 ( -0.568 2.634 -1.058) 2.895 5.888 ( -1.909 -1.617 2.631) 3.631 5.924 ( -0.393 -1.335 3.925) 4.164 6.037 ( -1.748 1.712 -2.987) 3.861 6.098 ( -0.813 -2.565 -2.686) 3.802 6.200 ( -1.140 -2.923 1.571) 3.509 6.362 ( -3.442 -4.506 -3.704) 6.773 6.603 ( -2.844 0.404 3.519) 4.542 6.627 ( -2.659 -0.284 0.996) 2.854 6.669 ( -2.268 1.813 -0.596) 2.964 6.770 ( -1.289 -0.686 -2.522) 2.914 7.815 ( 2.616 0.824 0.941) 2.899 7.901 ( 4.609 1.020 -2.149) 5.187 8.022 ( 5.820 -1.362 -0.228) 5.982 8.061 ( 10.397 -3.867 -0.063) 11.093 8.490 ( 3.887 11.092 -8.686) 14.615 8.545 ( 3.731 2.969 -4.050) 6.256 8.767 ( -0.460 -1.706 -2.013) 2.678 8.810 ( -1.322 -1.409 -4.993) 5.354 9.259 ( -0.401 -0.897 8.447) 8.503 9.523 ( -0.632 7.142 -2.754) 7.681 9.615 ( -5.163 -13.451 17.028) 22.306 9.969 ( -0.372 -5.184 -3.124) 6.064 10.499 ( -0.898 10.405 -4.844) 11.512 10.646 ( -0.668 3.350 -9.237) 9.848 10.739 ( -0.502 0.148 -1.830) 1.903 10.792 ( 0.288 1.004 -2.102) 2.347 11.070 ( -5.103 -2.208 10.729) 12.085 11.171 ( -8.700 -1.370 14.185) 16.697 11.557 ( -4.199 0.640 -5.694) 7.104 11.689 ( -7.830 -0.496 -3.013) 8.405 11.754 ( -16.161 7.501 16.590) 24.345 12.143 ( -2.448 0.085 3.162) 4.000 12.258 ( 0.025 1.530 -0.844) 1.747 12.346 ( -3.784 2.475 -4.450) 6.344 12.694 ( 1.041 5.198 3.964) 6.619 12.713 ( 4.232 1.940 4.025) 6.154 13.394 ( 9.816 -30.474 12.588) 34.401 13.898 ( -11.225 -15.867 -5.920) 20.318 15.245 ( 0.707 5.064 0.424) 5.131 15.350 ( -6.652 12.424 -4.249) 14.719 15.532 ( -0.445 -1.853 3.016) 3.568 15.745 ( 2.042 -3.407 -5.900) 7.112 ======================= Grid point 68 (27/54) ======================= q-point: ( 0.18 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.869 5.922 5.201) 8.388 0.871 ( -5.238 5.536 0.302) 7.627 0.960 ( 12.257 7.516 0.400) 14.384 1.215 ( 8.664 6.018 2.581) 10.860 1.373 ( -2.855 -1.642 1.231) 3.516 1.431 ( 2.822 1.773 -2.999) 4.483 1.585 ( 1.943 -4.131 -2.832) 5.372 1.653 ( 4.231 -2.495 -8.906) 10.171 1.784 ( 6.926 3.960 -2.292) 8.300 1.822 ( 12.715 3.458 8.733) 15.808 1.906 ( 6.193 -2.076 -2.444) 6.974 2.025 ( 3.830 -0.002 0.726) 3.898 2.212 ( 3.768 0.306 0.193) 3.786 2.387 ( -0.036 -4.518 1.371) 4.722 2.395 ( 1.293 -2.657 -2.104) 3.628 2.490 ( -1.513 -4.263 9.612) 10.623 2.636 ( -1.486 -1.894 2.992) 3.840 2.759 ( -1.992 3.209 -4.829) 6.131 2.811 ( 0.950 -2.757 -4.543) 5.399 2.853 ( -0.823 -2.680 -1.169) 3.037 2.924 ( 1.683 1.182 -2.599) 3.314 2.953 ( 3.839 -1.152 -5.047) 6.445 3.051 ( -0.685 -2.017 6.233) 6.587 3.224 ( 1.439 1.498 0.679) 2.186 3.286 ( 1.353 6.155 4.197) 7.571 3.371 ( -1.923 4.328 2.296) 5.263 3.427 ( -0.719 4.551 1.944) 5.001 3.455 ( 4.623 -2.229 -8.317) 9.773 3.508 ( 2.147 3.625 -2.447) 4.872 3.590 ( 1.570 -2.340 -4.423) 5.244 3.694 ( 1.352 -1.233 -0.614) 1.930 3.822 ( 1.690 0.233 0.645) 1.824 3.891 ( 0.475 -1.897 -0.462) 2.009 3.942 ( -3.729 -2.854 7.935) 9.221 3.990 ( -9.363 -7.036 9.763) 15.248 4.046 ( -3.416 -1.788 0.241) 3.863 4.375 ( 0.633 3.193 5.996) 6.823 4.624 ( -0.988 -3.169 7.290) 8.010 4.771 ( 0.051 2.686 -5.600) 6.211 4.991 ( 1.726 -3.434 -7.503) 8.430 5.711 ( -2.388 1.418 0.841) 2.902 5.760 ( -0.716 2.036 -0.985) 2.372 5.838 ( -3.103 -1.623 2.026) 4.046 5.919 ( -0.176 -0.468 3.350) 3.388 5.984 ( -3.539 -1.048 -3.264) 4.927 6.071 ( -2.128 -1.090 -1.606) 2.881 6.177 ( -1.298 -1.090 -1.058) 1.998 6.271 ( -5.507 -1.420 -3.835) 6.859 6.526 ( -4.833 0.380 4.618) 6.696 6.551 ( -4.924 -0.564 1.439) 5.161 6.608 ( -3.857 2.035 -0.552) 4.396 6.732 ( -2.641 -0.913 -3.003) 4.102 7.890 ( 4.522 1.744 1.217) 4.997 8.036 ( 8.585 0.672 -4.210) 9.586 8.126 ( 4.487 -2.130 2.163) 5.417 8.249 ( 8.626 -4.793 0.797) 9.900 8.534 ( 1.714 5.560 -4.219) 7.186 8.671 ( 6.146 1.459 -8.207) 10.357 8.756 ( -0.251 -0.910 -2.592) 2.759 8.789 ( 0.135 -0.364 -3.674) 3.694 9.251 ( -0.297 -1.275 8.337) 8.440 9.479 ( -7.898 -8.438 18.258) 21.609 9.509 ( -1.073 6.614 -2.084) 7.017 9.955 ( -1.173 -5.194 -4.484) 6.961 10.476 ( -1.117 9.507 -0.555) 9.588 10.635 ( -0.320 1.354 -5.094) 5.281 10.726 ( -0.749 3.283 -3.809) 5.084 10.803 ( 0.735 0.640 -3.973) 4.091 10.890 ( -8.492 1.175 10.860) 13.835 11.096 ( -0.812 -0.957 7.672) 7.774 11.441 ( -6.099 2.484 7.022) 9.626 11.528 ( -6.396 1.608 0.875) 6.652 11.603 ( -5.362 1.567 -2.404) 6.081 12.104 ( -1.779 -1.899 3.652) 4.484 12.234 ( -4.249 3.890 -8.683) 10.421 12.301 ( 0.650 2.502 -1.489) 2.983 12.681 ( -2.116 2.646 8.238) 8.907 12.745 ( -0.363 2.876 7.888) 8.404 13.446 ( -3.966 -18.406 -1.465) 18.885 13.605 ( -18.117 -12.413 -5.373) 22.609 15.263 ( 0.532 6.033 0.022) 6.057 15.284 ( 0.365 6.641 -0.665) 6.684 15.520 ( -0.798 -1.910 3.335) 3.925 15.742 ( -1.731 -4.502 -4.975) 6.930 ======================= Grid point 69 (28/54) ======================= q-point: ( 0.27 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -6.375 5.868 2.123) 8.921 0.802 ( -5.658 2.095 1.645) 6.254 1.198 ( 10.585 6.624 -0.111) 12.487 1.318 ( 0.559 -3.281 2.039) 3.904 1.396 ( 7.676 4.489 4.372) 9.909 1.458 ( 0.096 0.891 2.092) 2.276 1.603 ( 1.803 -3.346 -8.811) 9.596 1.786 ( 5.248 -3.051 -9.795) 11.524 1.889 ( 0.774 6.095 -4.559) 7.651 1.922 ( 5.227 0.689 -4.545) 6.960 2.101 ( 11.015 0.929 5.622) 12.402 2.168 ( 7.753 -2.197 6.482) 10.342 2.259 ( 2.052 0.776 4.525) 5.029 2.397 ( 0.778 -3.080 2.107) 3.812 2.430 ( 2.223 -2.841 -4.341) 5.644 2.500 ( 2.294 -3.766 7.121) 8.375 2.610 ( -0.933 0.151 2.134) 2.334 2.736 ( -0.203 2.681 -0.949) 2.851 2.791 ( -2.399 -2.995 -2.509) 4.585 2.845 ( -0.145 0.436 -0.790) 0.914 2.925 ( -0.564 -0.116 -0.208) 0.612 3.042 ( -0.444 -0.773 2.687) 2.831 3.070 ( 5.308 2.863 -8.967) 10.806 3.232 ( -0.532 4.060 2.534) 4.816 3.295 ( -0.601 2.262 0.925) 2.516 3.354 ( 1.768 -0.514 -0.500) 1.908 3.426 ( -0.324 1.640 0.157) 1.679 3.515 ( 0.358 3.677 -1.163) 3.873 3.577 ( 5.214 -2.048 -2.206) 6.020 3.640 ( 1.826 -1.128 -0.507) 2.206 3.705 ( -0.454 -3.356 3.112) 4.599 3.793 ( -1.668 -1.519 3.437) 4.111 3.828 ( -1.489 -3.526 2.556) 4.603 3.914 ( -1.294 -3.047 5.210) 6.173 3.982 ( 4.772 0.977 -5.483) 7.334 4.010 ( 0.270 -0.524 -1.751) 1.848 4.400 ( 1.377 1.371 6.949) 7.215 4.590 ( -2.371 -3.538 7.845) 8.927 4.757 ( -1.462 3.322 -3.407) 4.977 5.012 ( 0.294 -3.531 -8.906) 9.584 5.650 ( -3.792 1.459 2.447) 4.743 5.747 ( -0.743 0.784 -0.875) 1.390 5.774 ( -3.232 -0.765 0.834) 3.425 5.908 ( -4.092 -1.337 -3.251) 5.395 5.918 ( 0.137 -0.477 2.576) 2.624 6.017 ( -3.228 -1.411 -0.672) 3.586 6.149 ( -1.596 0.396 -2.379) 2.892 6.167 ( -4.842 0.341 -3.145) 5.783 6.428 ( -5.071 0.554 5.406) 7.433 6.448 ( -5.461 -0.619 2.045) 5.864 6.525 ( -4.529 2.527 -0.868) 5.258 6.672 ( -3.414 -1.016 -3.687) 5.127 7.973 ( 3.864 1.639 2.717) 4.999 8.180 ( 1.815 -2.959 5.089) 6.160 8.206 ( 7.493 1.281 -7.781) 10.878 8.398 ( 6.778 -3.228 -0.177) 7.510 8.568 ( 1.683 3.131 -1.721) 3.949 8.699 ( -0.843 -0.060 -5.070) 5.140 8.762 ( 0.215 -0.660 -2.091) 2.203 8.864 ( 5.661 -0.733 -4.689) 7.387 9.249 ( 0.096 -1.516 8.236) 8.375 9.324 ( -7.499 -4.289 17.259) 19.301 9.494 ( -0.520 6.053 -2.542) 6.585 9.922 ( -2.152 -4.972 -6.660) 8.585 10.468 ( 0.265 6.173 2.575) 6.694 10.634 ( 0.252 0.693 -1.813) 1.957 10.716 ( -0.191 5.345 -4.159) 6.775 10.777 ( -2.877 1.965 1.390) 3.751 10.829 ( 0.940 0.973 -1.811) 2.261 11.100 ( 0.892 -1.607 3.644) 4.081 11.342 ( -4.311 0.632 4.327) 6.141 11.414 ( -5.058 1.673 1.227) 5.467 11.522 ( -3.176 1.584 -1.459) 3.837 12.072 ( -1.516 -2.375 1.105) 3.027 12.147 ( -3.964 1.850 -5.932) 7.371 12.323 ( 1.109 1.325 -0.724) 1.873 12.626 ( -3.253 2.431 7.230) 8.293 12.708 ( -3.098 3.089 7.043) 8.291 13.213 ( -19.504 -9.168 -4.049) 21.929 13.306 ( -11.314 -10.282 -4.506) 15.939 15.285 ( 2.147 5.284 0.875) 5.770 15.326 ( 2.928 2.640 -0.674) 4.000 15.503 ( -0.942 -1.601 3.196) 3.697 15.697 ( -2.616 -4.124 -3.691) 6.122 ======================= Grid point 70 (29/54) ======================= q-point: ( 0.36 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -8.562 1.323 3.032) 9.179 0.708 ( -2.367 6.715 0.436) 7.134 1.308 ( 0.565 -5.498 3.130) 6.352 1.355 ( 2.995 -1.626 1.266) 3.635 1.478 ( 3.335 3.612 2.912) 5.713 1.560 ( 7.919 2.451 0.041) 8.290 1.664 ( 4.018 -2.903 -3.508) 6.073 1.765 ( -3.815 5.012 -2.262) 6.693 1.942 ( 3.191 7.814 -5.803) 10.243 2.028 ( 3.379 -5.301 -5.534) 8.375 2.230 ( 3.784 -1.112 1.489) 4.216 2.266 ( 2.360 2.447 -0.065) 3.400 2.329 ( 4.215 -2.284 5.208) 7.079 2.422 ( 1.965 -1.908 -1.128) 2.962 2.488 ( 0.947 -4.372 0.777) 4.540 2.508 ( 0.663 -2.196 1.189) 2.584 2.647 ( 4.670 3.158 1.437) 5.817 2.733 ( -0.359 0.577 4.142) 4.198 2.770 ( 0.561 0.412 -0.869) 1.113 2.834 ( -0.927 1.387 0.657) 1.793 2.907 ( -1.320 0.394 0.295) 1.409 3.012 ( -2.630 2.538 4.214) 5.578 3.101 ( -1.255 3.889 -5.435) 6.799 3.245 ( 0.184 3.160 -2.384) 3.963 3.287 ( 0.750 2.663 -1.363) 3.084 3.365 ( -0.418 0.812 -5.017) 5.100 3.439 ( 0.828 -4.014 3.333) 5.283 3.496 ( -3.792 -0.933 -1.051) 4.044 3.610 ( 3.225 -1.204 -0.203) 3.449 3.676 ( -0.031 -4.931 3.869) 6.268 3.715 ( 3.115 0.658 3.812) 4.967 3.837 ( 0.972 -3.748 -0.391) 3.892 3.862 ( 5.911 -0.090 2.908) 6.588 3.900 ( 0.177 -3.065 1.155) 3.280 4.027 ( 2.246 1.685 -1.685) 3.274 4.087 ( 4.455 0.204 -6.083) 7.543 4.421 ( 0.784 0.435 7.451) 7.504 4.539 ( -2.720 -3.357 7.460) 8.621 4.720 ( -2.207 3.932 -2.400) 5.108 5.000 ( -1.435 -3.504 -9.785) 10.492 5.573 ( -3.881 1.535 4.255) 5.960 5.706 ( -2.812 -1.343 1.013) 3.276 5.746 ( -0.253 0.653 -1.942) 2.064 5.835 ( -3.190 -0.567 -3.345) 4.657 5.929 ( 1.110 -0.333 1.651) 2.018 5.958 ( -2.522 -1.438 -0.537) 2.952 6.084 ( -3.567 0.639 -2.038) 4.158 6.121 ( -1.447 0.784 -2.268) 2.802 6.340 ( -3.777 0.662 5.419) 6.638 6.352 ( -4.215 -0.323 2.699) 5.015 6.443 ( -3.647 3.155 -1.296) 4.993 6.608 ( -2.999 -0.939 -4.252) 5.287 8.038 ( 2.844 1.024 4.927) 5.780 8.182 ( -0.937 -2.315 5.320) 5.878 8.329 ( 4.721 1.132 -8.772) 10.026 8.505 ( 3.985 -2.320 -3.144) 5.581 8.591 ( 0.605 1.702 -1.052) 2.090 8.696 ( 0.844 0.876 -2.729) 2.988 8.767 ( 0.271 -1.286 -0.280) 1.343 8.955 ( 3.699 -2.316 -3.783) 5.775 9.194 ( -5.445 -1.503 15.836) 16.813 9.259 ( 0.360 -1.591 6.941) 7.130 9.490 ( 0.108 4.874 -2.720) 5.583 9.877 ( -2.290 -4.632 -8.857) 10.254 10.481 ( 0.927 3.576 3.846) 5.333 10.643 ( 0.570 0.494 -0.455) 0.881 10.716 ( 0.074 5.337 -1.054) 5.441 10.744 ( -0.723 3.618 -2.479) 4.445 10.850 ( 0.987 0.717 -4.201) 4.375 11.125 ( 1.565 -2.099 1.236) 2.895 11.266 ( -3.561 -0.763 -4.424) 5.730 11.345 ( -2.123 3.105 10.072) 10.751 11.476 ( -1.603 1.831 -0.950) 2.612 12.048 ( -0.782 0.718 -6.753) 6.836 12.094 ( -1.494 -5.287 3.510) 6.520 12.338 ( 0.435 0.493 -0.518) 0.838 12.562 ( -3.352 0.809 6.857) 7.675 12.655 ( -1.349 3.863 2.303) 4.695 12.855 ( -16.216 -5.361 -0.833) 17.100 13.076 ( -11.918 -6.005 -5.088) 14.282 15.338 ( 3.056 3.212 1.174) 4.587 15.385 ( 2.982 1.291 -0.685) 3.321 15.482 ( -1.271 -0.951 2.854) 3.265 15.648 ( -2.327 -3.219 -2.876) 4.904 ======================= Grid point 71 (30/54) ======================= q-point: ( 0.45 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -4.726 0.867 5.219) 7.095 0.693 ( 0.063 8.082 -1.957) 8.316 1.299 ( -0.664 -8.528 1.989) 8.782 1.400 ( 1.789 -7.163 -0.302) 7.390 1.526 ( 0.353 0.369 3.061) 3.104 1.674 ( 3.132 7.448 -0.568) 8.100 1.720 ( 0.675 9.475 3.007) 9.963 1.736 ( 1.597 -1.172 2.590) 3.261 1.980 ( 0.868 6.940 -6.885) 9.815 2.053 ( 0.017 -5.542 -3.239) 6.419 2.258 ( 0.004 -3.464 -0.652) 3.525 2.287 ( 0.275 4.293 -4.016) 5.885 2.395 ( 1.536 -4.732 6.990) 8.579 2.432 ( -1.682 -5.327 -4.001) 6.871 2.477 ( 1.922 0.284 -5.271) 5.618 2.582 ( 3.572 -1.302 2.044) 4.316 2.727 ( 0.130 0.750 4.180) 4.249 2.735 ( 2.817 1.906 0.062) 3.402 2.786 ( 0.514 0.315 -0.686) 0.913 2.812 ( -1.173 3.024 4.549) 5.587 2.880 ( -0.960 1.473 3.082) 3.548 2.956 ( -2.356 5.551 4.170) 7.332 3.072 ( -1.091 3.172 -4.455) 5.577 3.243 ( 0.359 4.063 -3.617) 5.452 3.289 ( -0.017 3.803 -1.029) 3.940 3.344 ( -3.327 -3.038 5.058) 6.774 3.430 ( 2.366 -0.424 -5.083) 5.623 3.477 ( -1.020 -1.323 -3.979) 4.316 3.657 ( 0.659 -3.875 0.247) 3.939 3.672 ( 0.447 -7.232 4.152) 8.352 3.786 ( 2.987 -0.648 2.281) 3.814 3.839 ( -0.483 0.706 2.899) 3.023 3.902 ( 0.445 -3.754 -3.508) 5.157 3.964 ( 2.812 -1.342 3.920) 5.008 4.068 ( 1.470 2.536 -1.933) 3.511 4.149 ( 1.672 -0.182 -4.354) 4.667 4.433 ( 0.517 0.007 8.349) 8.365 4.495 ( -1.513 -3.123 5.937) 6.876 4.685 ( -1.081 4.205 -2.491) 5.006 4.970 ( -1.157 -3.369 -9.909) 10.529 5.515 ( -1.688 1.762 5.203) 5.747 5.665 ( -1.156 -1.444 0.930) 2.070 5.744 ( -0.033 0.100 -2.151) 2.153 5.791 ( -1.217 -0.050 -3.888) 4.074 5.920 ( -0.923 -1.412 -0.536) 1.770 5.968 ( 2.388 -0.583 1.092) 2.690 6.023 ( -2.852 0.830 -1.351) 3.264 6.099 ( -0.636 0.990 -1.573) 1.965 6.289 ( -1.362 0.805 5.413) 5.640 6.293 ( -1.662 -0.152 2.782) 3.244 6.393 ( -1.386 3.590 -1.542) 4.146 6.565 ( -1.217 -0.805 -4.558) 4.786 8.083 ( 1.609 0.299 7.585) 7.759 8.157 ( -1.211 -1.512 3.938) 4.388 8.388 ( 1.491 0.752 -8.038) 8.210 8.546 ( 0.582 -1.741 -8.362) 8.562 8.602 ( 0.564 1.359 1.413) 2.040 8.719 ( 0.983 2.188 -2.159) 3.227 8.770 ( -0.009 -2.816 1.599) 3.238 9.010 ( 1.959 -4.285 -5.022) 6.886 9.111 ( -2.779 0.966 16.271) 16.535 9.265 ( 0.204 -1.626 6.668) 6.866 9.495 ( 0.228 3.932 -2.899) 4.890 9.843 ( -1.035 -4.347 -10.233) 11.166 10.496 ( 0.460 2.523 4.186) 4.909 10.652 ( 0.299 0.178 -0.184) 0.394 10.715 ( -0.099 4.525 1.877) 4.900 10.741 ( 0.095 5.121 -5.491) 7.509 10.864 ( 0.388 0.638 -4.745) 4.803 11.157 ( 1.617 -3.927 1.925) 4.662 11.208 ( -2.259 1.025 -8.621) 8.971 11.322 ( -0.465 3.194 12.961) 13.357 11.457 ( -0.459 2.345 -0.720) 2.496 12.046 ( 0.368 2.008 -11.524) 11.703 12.079 ( -0.250 -9.734 8.400) 12.859 12.340 ( -0.143 -0.479 -0.814) 0.956 12.505 ( -1.969 0.822 6.403) 6.749 12.624 ( -6.254 -2.137 3.164) 7.328 12.675 ( 2.422 1.704 -1.814) 3.473 12.875 ( -7.571 -2.690 -4.445) 9.182 15.393 ( 2.382 1.818 0.992) 3.156 15.431 ( 1.483 0.358 -0.504) 1.607 15.453 ( -1.613 -0.181 2.785) 3.223 15.612 ( -1.139 -2.358 -2.563) 3.665 ======================= Grid point 77 (31/54) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 9.798 12.141) 15.601 0.861 ( 0.000 6.649 5.118) 8.391 0.951 ( 0.000 4.006 7.902) 8.859 1.144 ( 0.000 -4.303 -3.040) 5.268 1.271 ( 0.000 -0.146 -4.906) 4.908 1.314 ( 0.000 -1.629 -8.675) 8.827 1.544 ( 0.000 -0.022 -1.228) 1.228 1.564 ( 0.000 -2.325 -10.417) 10.673 1.710 ( 0.000 7.120 4.908) 8.648 1.735 ( 0.000 3.026 -3.010) 4.268 1.846 ( 0.000 3.202 -8.026) 8.641 1.896 ( 0.000 -1.363 -11.523) 11.604 2.191 ( 0.000 -0.526 8.134) 8.151 2.268 ( 0.000 -7.241 12.219) 14.203 2.298 ( 0.000 4.112 -1.953) 4.552 2.446 ( 0.000 -6.562 8.826) 10.998 2.678 ( 0.000 -1.028 -1.097) 1.504 2.681 ( 0.000 -0.931 -1.145) 1.476 2.819 ( 0.000 0.399 4.819) 4.836 2.822 ( 0.000 1.173 -9.662) 9.733 2.873 ( 0.000 -2.024 6.861) 7.153 2.874 ( 0.000 -1.624 -2.015) 2.588 3.125 ( 0.000 5.033 9.277) 10.555 3.243 ( 0.000 -5.289 -1.179) 5.419 3.283 ( 0.000 1.537 -3.119) 3.477 3.327 ( 0.000 -2.075 1.169) 2.381 3.516 ( 0.000 7.985 -4.134) 8.992 3.576 ( 0.000 4.343 0.135) 4.346 3.581 ( 0.000 8.675 0.086) 8.676 3.653 ( 0.000 -3.078 -0.401) 3.104 3.653 ( 0.000 4.934 -5.604) 7.466 3.683 ( 0.000 -2.099 -5.496) 5.883 3.787 ( 0.000 -6.397 0.653) 6.431 3.854 ( 0.000 -9.544 12.630) 15.831 4.099 ( 0.000 -3.314 9.857) 10.399 4.107 ( 0.000 -2.904 0.903) 3.041 4.541 ( 0.000 1.250 1.420) 1.892 4.576 ( 0.000 -1.509 6.221) 6.401 4.832 ( 0.000 3.094 -7.952) 8.532 4.876 ( 0.000 -0.634 -6.664) 6.694 5.794 ( 0.000 2.380 1.487) 2.807 5.854 ( 0.000 -3.166 2.521) 4.048 5.860 ( 0.000 4.919 -1.694) 5.203 5.962 ( 0.000 4.975 2.948) 5.783 5.986 ( 0.000 -6.308 -2.800) 6.901 6.096 ( 0.000 -6.655 2.335) 7.053 6.145 ( 0.000 4.629 -4.004) 6.121 6.256 ( 0.000 -5.912 -3.717) 6.984 6.645 ( 0.000 0.585 2.521) 2.588 6.652 ( 0.000 -0.077 1.656) 1.658 6.731 ( 0.000 1.773 -1.193) 2.137 6.764 ( 0.000 -1.200 -1.801) 2.164 7.807 ( 0.000 1.346 1.830) 2.271 7.848 ( 0.000 -2.283 1.776) 2.893 7.931 ( 0.000 2.286 -2.847) 3.651 7.967 ( 0.000 -0.932 -2.879) 3.026 8.596 ( 0.000 5.209 -2.044) 5.596 8.670 ( 0.000 6.605 -8.274) 10.587 8.700 ( 0.000 -4.270 -1.044) 4.396 8.772 ( 0.000 -3.288 -6.649) 7.417 9.295 ( 0.000 3.637 12.495) 13.014 9.420 ( 0.000 -8.150 15.622) 17.620 9.690 ( 0.000 7.310 -5.121) 8.925 9.840 ( 0.000 -6.712 -4.891) 8.305 10.642 ( 0.000 4.015 -4.205) 5.814 10.707 ( 0.000 -2.266 -1.908) 2.963 10.753 ( 0.000 3.669 -7.622) 8.460 10.799 ( 0.000 -0.629 -4.059) 4.107 11.105 ( 0.000 1.416 13.899) 13.971 11.174 ( 0.000 -4.599 15.137) 15.820 11.630 ( 0.000 2.469 -7.035) 7.456 11.694 ( 0.000 -3.153 -6.492) 7.217 12.121 ( 0.000 4.037 7.154) 8.215 12.231 ( 0.000 -6.134 8.497) 10.480 12.298 ( 0.000 4.416 -1.071) 4.544 12.386 ( 0.000 -4.151 -1.143) 4.305 12.538 ( 0.000 6.645 8.481) 10.775 12.743 ( 0.000 -13.014 20.722) 24.469 13.048 ( 0.000 21.430 -7.852) 22.823 13.548 ( 0.000 -23.881 -9.028) 25.530 15.369 ( 0.000 5.882 2.718) 6.480 15.476 ( 0.000 -3.933 2.887) 4.879 15.609 ( 0.000 3.645 -6.491) 7.445 15.663 ( 0.000 -1.665 -3.788) 4.138 ======================= Grid point 78 (32/54) ======================= q-point: ( 0.09 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 10.948 8.262 3.568) 14.172 0.923 ( 5.552 7.975 0.778) 9.748 1.090 ( 10.944 1.988 4.216) 11.896 1.144 ( -2.119 4.636 -0.433) 5.116 1.282 ( 3.844 -6.465 -3.455) 8.277 1.320 ( 0.212 -4.848 -5.401) 7.261 1.517 ( -1.106 1.079 -4.949) 5.185 1.576 ( 0.559 -3.263 -6.928) 7.678 1.738 ( 4.251 6.724 6.954) 10.566 1.766 ( 1.775 1.868 1.017) 2.770 1.864 ( 3.509 5.519 -9.574) 11.595 1.955 ( 4.749 -2.046 -10.601) 11.795 2.179 ( -0.389 0.267 8.453) 8.466 2.268 ( 0.231 -6.256 11.831) 13.385 2.322 ( 1.877 2.272 -1.393) 3.260 2.432 ( -1.469 -5.590 10.144) 11.675 2.653 ( -1.227 1.178 -0.020) 1.701 2.706 ( 1.042 -3.191 -1.960) 3.887 2.809 ( -0.857 -0.488 0.227) 1.012 2.819 ( 0.727 0.498 -4.806) 4.886 2.863 ( -1.046 -1.213 1.394) 2.123 2.885 ( 1.308 -1.721 2.276) 3.139 3.126 ( -0.482 4.429 3.653) 5.761 3.217 ( -1.243 -2.818 -1.754) 3.544 3.311 ( 3.584 1.085 -2.899) 4.736 3.367 ( 2.534 -2.299 2.836) 4.444 3.515 ( 0.060 5.758 -2.034) 6.107 3.549 ( -3.013 5.662 1.577) 6.605 3.569 ( -0.853 4.937 -0.484) 5.033 3.619 ( -0.751 3.461 -5.002) 6.128 3.682 ( 1.391 0.447 0.629) 1.591 3.749 ( 4.178 -1.251 -4.754) 6.451 3.781 ( -0.164 -5.840 -0.142) 5.844 3.839 ( -1.457 -9.770 9.190) 13.492 4.035 ( -5.623 -1.574 6.882) 9.025 4.066 ( -4.025 -3.464 0.865) 5.380 4.502 ( -2.731 3.790 3.794) 6.018 4.572 ( -0.667 -2.768 6.250) 6.868 4.829 ( 0.167 3.401 -6.955) 7.744 4.893 ( 1.161 -2.376 -6.250) 6.787 5.782 ( -1.209 2.239 1.400) 2.904 5.836 ( -1.744 -2.250 2.108) 3.542 5.852 ( -0.811 4.064 -1.624) 4.451 5.959 ( -0.427 4.301 3.274) 5.423 5.965 ( -2.021 -5.643 -2.886) 6.653 6.072 ( -1.950 -4.663 2.038) 5.450 6.166 ( 1.305 2.659 -3.924) 4.917 6.253 ( -0.489 -4.865 -4.184) 6.435 6.615 ( -3.011 0.569 2.809) 4.157 6.623 ( -2.938 -0.186 1.952) 3.532 6.712 ( -1.977 1.975 -1.316) 3.089 6.748 ( -1.596 -1.382 -1.960) 2.880 7.853 ( 4.542 2.414 1.754) 5.435 7.906 ( 5.233 -1.660 1.244) 5.629 7.983 ( 5.213 0.396 -2.010) 5.602 8.018 ( 4.864 -1.865 -2.289) 5.690 8.626 ( 2.391 4.187 -2.181) 5.292 8.669 ( 0.284 5.532 -7.879) 9.632 8.713 ( 1.129 -3.005 -1.723) 3.643 8.763 ( -0.695 -2.971 -6.253) 6.958 9.283 ( -1.149 3.149 12.728) 13.162 9.394 ( -2.534 -7.344 16.101) 17.877 9.684 ( -0.637 7.352 -4.994) 8.911 9.836 ( -0.496 -6.791 -4.976) 8.434 10.637 ( -0.584 3.680 -3.322) 4.992 10.683 ( -2.007 -0.575 -2.008) 2.897 10.767 ( 1.119 2.285 -7.100) 7.542 10.802 ( 0.283 -0.513 -4.619) 4.656 11.053 ( -5.056 1.072 13.243) 14.216 11.110 ( -5.017 -3.562 14.428) 15.685 11.586 ( -4.357 2.219 -7.590) 9.028 11.645 ( -4.750 -2.814 -7.239) 9.104 11.957 ( -12.880 9.106 14.349) 21.324 12.101 ( -6.402 -4.175 9.324) 12.056 12.316 ( 1.141 3.338 -1.939) 4.026 12.366 ( -0.369 -0.734 -2.401) 2.538 12.713 ( 7.603 2.570 5.956) 9.994 12.885 ( 10.848 -12.894 9.615) 19.401 13.014 ( -2.798 16.898 -4.241) 17.646 13.471 ( -7.841 -22.256 -7.900) 24.884 15.365 ( -0.222 5.614 2.208) 6.037 15.470 ( -0.552 -3.939 2.790) 4.858 15.546 ( -4.769 6.548 -4.311) 9.176 15.660 ( -1.201 -4.439 -4.265) 6.272 ======================= Grid point 79 (33/54) ======================= q-point: ( 0.18 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -0.048 7.836 0.365) 7.845 1.034 ( -4.569 7.549 0.895) 8.870 1.104 ( 7.777 3.611 -4.657) 9.758 1.215 ( 0.103 -5.094 -1.981) 5.467 1.340 ( 4.076 0.225 1.373) 4.307 1.424 ( 7.336 -5.028 -3.195) 9.450 1.531 ( 1.915 1.338 -3.589) 4.283 1.588 ( 1.151 -3.221 -8.776) 9.419 1.853 ( 9.072 2.403 3.025) 9.860 1.894 ( 10.390 -0.006 5.811) 11.905 1.956 ( 5.130 7.047 -5.732) 10.432 2.046 ( 4.518 1.482 -4.108) 6.284 2.218 ( 4.537 0.150 7.241) 8.547 2.278 ( 0.429 -4.256 8.527) 9.539 2.348 ( 0.425 -0.744 0.461) 0.973 2.399 ( -1.043 -4.295 11.162) 12.005 2.637 ( -0.081 2.403 -0.016) 2.404 2.722 ( 0.854 -4.531 -4.163) 6.212 2.796 ( 0.029 -0.126 0.018) 0.130 2.834 ( -1.115 -1.776 3.244) 3.863 2.872 ( 3.037 0.222 0.230) 3.054 2.919 ( 1.983 -1.730 -1.226) 2.903 3.115 ( 0.318 5.156 -5.415) 7.484 3.220 ( 1.553 -3.251 -3.580) 5.079 3.386 ( 1.102 1.480 2.230) 2.895 3.421 ( 4.329 0.229 -1.102) 4.473 3.485 ( -2.802 5.388 0.219) 6.077 3.516 ( -0.009 2.256 0.986) 2.462 3.568 ( 1.311 3.083 1.171) 3.549 3.602 ( -1.042 3.107 -3.160) 4.553 3.679 ( -1.858 -0.565 2.704) 3.329 3.774 ( -2.221 -4.003 -0.362) 4.592 3.795 ( -2.589 -6.819 4.258) 8.446 3.814 ( 1.492 -4.379 1.496) 4.862 3.949 ( -0.598 1.608 -2.009) 2.642 3.994 ( -1.992 -2.577 -1.252) 3.489 4.462 ( -1.257 4.421 6.645) 8.080 4.551 ( -1.498 -3.687 7.712) 8.679 4.836 ( 0.301 3.382 -5.908) 6.814 4.913 ( 0.872 -3.677 -5.914) 7.018 5.748 ( -2.404 1.953 1.437) 3.414 5.791 ( -2.818 -1.705 1.895) 3.800 5.830 ( -1.413 3.258 -1.809) 3.985 5.916 ( -2.851 -4.241 -2.859) 5.856 5.944 ( -1.056 2.956 3.719) 4.867 6.026 ( -2.727 -3.750 2.471) 5.254 6.178 ( -0.135 1.721 -4.571) 4.886 6.228 ( -2.212 -2.411 -4.699) 5.726 6.536 ( -4.898 0.449 3.610) 6.101 6.544 ( -5.059 -0.275 2.540) 5.667 6.658 ( -3.422 2.371 -1.720) 4.504 6.703 ( -2.957 -1.747 -2.486) 4.240 7.951 ( 4.752 3.615 1.830) 6.245 8.027 ( 6.132 -2.658 2.112) 7.009 8.097 ( 6.617 1.014 -2.885) 7.290 8.154 ( 8.615 -3.766 -1.238) 9.483 8.640 ( -0.398 4.013 -3.256) 5.183 8.696 ( 0.279 -0.497 -4.691) 4.726 8.740 ( 2.352 0.390 -4.313) 4.928 8.769 ( 1.930 -1.457 -4.710) 5.294 9.256 ( -1.432 1.789 12.901) 13.103 9.329 ( -3.928 -5.084 16.668) 17.863 9.665 ( -1.209 7.381 -4.777) 8.875 9.820 ( -1.172 -6.925 -5.324) 8.814 10.610 ( -2.135 3.424 -0.097) 4.036 10.648 ( -1.342 -0.356 -1.232) 1.856 10.789 ( 1.115 1.972 -7.462) 7.799 10.810 ( 0.625 -0.142 -6.010) 6.044 10.943 ( -4.858 3.799 11.245) 12.825 11.038 ( -2.249 -4.262 10.839) 11.862 11.479 ( -6.069 2.191 -7.936) 10.228 11.534 ( -5.961 -2.250 -7.638) 9.946 11.759 ( -7.637 11.559 15.242) 20.597 11.985 ( -5.458 -8.506 11.501) 15.311 12.327 ( -0.796 3.169 -5.751) 6.614 12.350 ( -0.954 1.123 -4.317) 4.562 12.807 ( 2.174 7.403 4.134) 8.753 12.889 ( -6.454 12.628 0.140) 14.182 13.060 ( 2.603 -14.797 1.339) 15.084 13.261 ( -13.170 -18.063 -4.944) 22.895 15.366 ( 0.388 4.727 1.351) 4.932 15.454 ( -1.571 -0.318 1.483) 2.184 15.470 ( -1.943 4.701 -1.180) 5.222 15.621 ( -2.329 -6.470 -3.367) 7.656 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.27 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -7.097 8.578 3.597) 11.700 0.946 ( -4.662 7.185 3.634) 9.304 1.179 ( -1.084 -5.884 -2.930) 6.661 1.222 ( 1.086 -6.174 -1.697) 6.495 1.465 ( 8.063 4.033 -2.908) 9.473 1.500 ( 1.278 0.432 -1.076) 1.725 1.560 ( 2.312 0.965 -5.092) 5.674 1.681 ( 7.812 -6.815 -5.100) 11.554 2.002 ( 2.646 7.096 -2.768) 8.064 2.058 ( 8.979 5.466 -1.636) 10.638 2.127 ( 6.836 0.597 4.671) 8.301 2.141 ( 7.923 0.417 3.303) 8.594 2.268 ( -0.277 -1.010 9.027) 9.087 2.310 ( 2.631 -4.275 3.266) 5.988 2.351 ( 1.600 -0.904 -0.855) 2.027 2.416 ( 1.914 -4.422 6.597) 8.169 2.663 ( 2.946 4.229 -1.957) 5.513 2.743 ( 1.000 -2.095 -2.523) 3.428 2.803 ( -0.792 2.043 0.546) 2.258 2.821 ( 1.021 -1.437 2.192) 2.813 2.903 ( 0.557 -0.194 1.458) 1.572 2.969 ( 2.956 -4.665 1.601) 5.750 3.161 ( 4.025 4.605 -9.989) 11.713 3.260 ( 1.615 -4.081 -3.853) 5.840 3.362 ( -2.319 6.564 3.095) 7.619 3.409 ( -3.004 2.456 0.081) 3.881 3.471 ( -0.854 3.209 -2.034) 3.894 3.552 ( -0.900 -2.542 -0.609) 2.764 3.574 ( -1.296 1.627 0.314) 2.104 3.625 ( 1.307 0.679 3.106) 3.438 3.639 ( 3.419 -0.912 -0.008) 3.538 3.683 ( -4.296 -7.177 -1.785) 8.553 3.787 ( 2.014 -0.374 3.726) 4.252 3.828 ( 0.567 -3.824 5.119) 6.415 4.004 ( 4.317 0.425 -6.019) 7.419 4.006 ( 2.511 0.175 -2.314) 3.419 4.447 ( -0.497 2.940 8.024) 8.560 4.517 ( -1.973 -3.352 8.805) 9.626 4.833 ( -0.781 3.796 -5.175) 6.465 4.922 ( -0.127 -4.422 -6.550) 7.904 5.689 ( -3.587 1.986 2.161) 4.635 5.731 ( -3.328 -1.791 1.829) 4.199 5.800 ( -1.614 2.608 -2.066) 3.698 5.861 ( -2.787 -2.772 -2.887) 4.877 5.925 ( -0.704 1.334 3.724) 4.017 5.971 ( -2.724 -2.568 2.818) 4.686 6.161 ( -1.568 0.702 -4.805) 5.103 6.172 ( -3.334 -0.151 -4.688) 5.755 6.438 ( -4.987 0.267 4.477) 6.708 6.440 ( -5.246 -0.119 3.111) 6.100 6.585 ( -3.915 2.832 -2.306) 5.354 6.639 ( -3.527 -2.055 -3.171) 5.169 8.027 ( 3.065 3.212 3.051) 5.387 8.104 ( 2.158 -3.777 3.801) 5.777 8.247 ( 7.746 2.603 -5.133) 9.650 8.318 ( 7.703 -3.875 -2.763) 9.055 8.633 ( -0.243 2.709 -1.488) 3.101 8.681 ( -0.835 -1.677 -2.401) 3.045 8.778 ( 1.314 2.053 -4.373) 5.007 8.829 ( 3.337 -2.286 -5.191) 6.581 9.233 ( -0.967 0.003 12.550) 12.588 9.253 ( -3.685 -2.030 16.124) 16.664 9.639 ( -1.433 7.081 -4.747) 8.644 9.790 ( -1.840 -6.844 -6.085) 9.341 10.573 ( -1.351 3.634 2.251) 4.483 10.629 ( -0.647 -1.482 0.364) 1.658 10.810 ( 1.010 2.476 -7.787) 8.233 10.826 ( 0.858 0.881 -7.179) 7.284 10.884 ( -1.526 5.246 7.855) 9.568 11.015 ( -0.414 -5.894 7.702) 9.707 11.373 ( -4.497 2.744 -8.596) 10.082 11.435 ( -4.001 -1.968 -6.392) 7.793 11.646 ( -4.300 10.818 14.003) 18.210 11.896 ( -3.693 -11.018 12.268) 16.898 12.273 ( -4.028 5.732 -10.840) 12.907 12.338 ( -0.858 -0.548 -4.466) 4.580 12.743 ( -7.497 8.285 4.733) 12.135 12.809 ( -2.137 7.224 1.694) 7.722 12.972 ( -13.576 -11.705 -1.461) 17.985 13.044 ( -5.871 -12.774 -1.729) 14.164 15.381 ( 1.123 3.475 0.900) 3.761 15.428 ( -0.457 4.521 0.195) 4.548 15.460 ( 0.040 -0.572 0.920) 1.084 15.581 ( -1.673 -6.292 -2.433) 6.950 ======================= Grid point 81 (35/54) ======================= q-point: ( 0.36 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -6.401 11.758 4.558) 14.142 0.884 ( -1.119 6.412 2.507) 6.975 1.127 ( -3.886 -7.840 -1.667) 8.907 1.210 ( -1.981 -9.932 -2.140) 10.351 1.527 ( 2.328 2.122 1.458) 3.471 1.586 ( 4.645 -2.984 -0.589) 5.552 1.673 ( 7.727 6.571 -1.960) 10.331 1.826 ( 6.342 -6.385 -3.896) 9.806 2.035 ( 0.703 10.082 0.682) 10.129 2.144 ( 1.525 8.701 0.693) 8.861 2.192 ( 0.201 -3.905 4.395) 5.883 2.269 ( 3.804 0.525 1.180) 4.018 2.305 ( 3.008 -1.188 4.096) 5.219 2.330 ( 0.591 -6.897 2.063) 7.224 2.429 ( 5.031 -0.459 -0.957) 5.142 2.447 ( 1.942 -2.325 -3.142) 4.365 2.728 ( 2.359 2.671 -0.504) 3.599 2.744 ( -0.742 0.352 1.906) 2.075 2.792 ( 0.523 1.732 -2.083) 2.759 2.843 ( 0.760 -2.014 -0.250) 2.167 2.932 ( 2.446 4.009 3.133) 5.646 3.024 ( 2.570 -2.769 2.843) 4.728 3.198 ( -1.896 4.875 -5.715) 7.748 3.282 ( 2.479 -3.119 -3.946) 5.607 3.347 ( -0.296 4.062 2.124) 4.593 3.366 ( -0.954 1.375 1.029) 1.965 3.420 ( -3.227 0.987 -0.977) 3.513 3.493 ( -4.194 0.022 -3.261) 5.313 3.526 ( -1.292 -3.462 2.321) 4.364 3.606 ( -2.355 -3.966 -3.691) 5.907 3.702 ( 3.865 0.065 0.084) 3.866 3.745 ( 4.786 -3.556 -3.381) 6.854 3.848 ( 2.053 -0.270 5.394) 5.777 3.861 ( 4.286 -1.049 5.367) 6.948 4.065 ( 3.221 1.525 -1.908) 4.042 4.086 ( 3.860 -0.421 -3.905) 5.507 4.438 ( -0.460 1.312 8.218) 8.335 4.478 ( -1.922 -2.321 8.732) 9.238 4.807 ( -1.702 4.306 -4.882) 6.728 4.906 ( -1.430 -4.787 -7.080) 8.665 5.617 ( -3.548 2.372 3.166) 5.314 5.667 ( -3.074 -2.167 1.989) 4.255 5.771 ( -1.258 1.693 -2.424) 3.214 5.811 ( -2.248 -1.710 -3.385) 4.409 5.919 ( -0.186 -0.181 3.414) 3.424 5.929 ( -1.203 -1.001 2.864) 3.264 6.110 ( -2.787 1.267 -4.275) 5.258 6.126 ( -1.706 -0.233 -4.370) 4.697 6.349 ( -3.860 0.338 3.715) 5.368 6.354 ( -3.635 0.076 4.725) 5.962 6.515 ( -3.111 3.250 -2.804) 5.301 6.575 ( -2.909 -2.173 -3.684) 5.172 8.072 ( 1.692 2.104 4.538) 5.280 8.125 ( 0.269 -2.733 4.649) 5.400 8.367 ( 4.434 2.557 -7.336) 8.945 8.437 ( 4.388 -3.674 -5.974) 8.273 8.632 ( 0.245 2.124 0.390) 2.174 8.678 ( 0.580 -2.029 0.561) 2.183 8.795 ( 0.446 3.332 -3.870) 5.127 8.879 ( 1.750 -4.191 -5.178) 6.888 9.190 ( -2.499 0.994 15.514) 15.746 9.222 ( -0.371 -1.718 11.213) 11.350 9.614 ( -1.056 6.334 -4.943) 8.103 9.753 ( -1.805 -6.427 -7.059) 9.715 10.561 ( -0.087 3.536 3.199) 4.769 10.623 ( 0.041 -2.113 1.239) 2.450 10.828 ( 0.822 3.082 -7.370) 8.031 10.837 ( 0.269 3.580 -5.245) 6.357 10.873 ( 0.163 3.058 3.196) 4.426 11.012 ( -0.026 -7.119 6.162) 9.415 11.311 ( -1.990 3.790 -9.664) 10.569 11.381 ( -1.624 -1.640 -4.853) 5.374 11.588 ( -1.846 10.086 12.697) 16.320 11.844 ( -1.698 -12.261 11.891) 17.164 12.192 ( -3.899 6.734 -11.491) 13.877 12.310 ( -2.029 -3.506 -6.513) 7.670 12.612 ( -5.640 3.595 6.777) 9.522 12.717 ( -10.211 -5.656 3.420) 12.164 12.761 ( -3.350 5.406 -0.687) 6.397 12.916 ( -7.023 -8.087 -2.847) 11.083 15.405 ( 1.268 2.214 0.906) 2.707 15.431 ( 0.526 1.626 1.073) 2.018 15.465 ( 0.384 1.244 0.147) 1.310 15.557 ( -0.873 -4.904 -1.890) 5.328 ======================= Grid point 82 (36/54) ======================= q-point: ( 0.45 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -2.548 15.999 4.522) 16.819 0.898 ( 1.767 8.940 -1.943) 9.318 1.046 ( -3.536 -13.169 0.698) 13.654 1.172 ( -1.306 -11.939 -2.292) 12.227 1.574 ( 1.732 3.702 3.574) 5.430 1.664 ( 2.685 -4.166 3.310) 5.960 1.787 ( 3.304 5.574 -0.868) 6.537 1.915 ( 2.696 -5.559 -1.544) 6.368 2.031 ( -0.705 11.099 1.391) 11.208 2.156 ( 0.172 8.938 0.907) 8.986 2.183 ( -0.544 -3.581 2.324) 4.304 2.306 ( 0.506 -2.111 0.610) 2.255 2.316 ( -0.683 -3.171 2.796) 4.282 2.346 ( 0.716 -4.788 -0.368) 4.855 2.465 ( 0.906 2.180 -6.832) 7.228 2.540 ( 3.729 -2.978 -3.252) 5.775 2.733 ( -0.283 -0.014 2.292) 2.310 2.734 ( -0.485 -0.390 0.417) 0.750 2.824 ( 1.591 1.979 -2.370) 3.473 2.849 ( -0.113 -0.254 -0.799) 0.846 2.969 ( 0.965 5.971 7.342) 9.513 3.055 ( 0.406 0.051 3.594) 3.617 3.165 ( -0.431 6.746 -3.905) 7.807 3.307 ( 0.097 -2.270 -4.208) 4.782 3.314 ( -2.019 2.629 6.065) 6.912 3.374 ( 1.273 2.193 -3.071) 3.982 3.403 ( 0.194 -0.177 -3.240) 3.250 3.437 ( -1.251 -2.117 -3.348) 4.155 3.507 ( -0.324 -5.182 3.480) 6.250 3.563 ( -1.892 -4.967 -1.545) 5.535 3.760 ( 1.669 0.231 -3.828) 4.182 3.807 ( 1.574 -3.499 -5.607) 6.794 3.886 ( 1.388 1.878 5.713) 6.172 3.929 ( 1.984 -1.926 5.724) 6.357 4.117 ( 1.742 1.832 -1.105) 2.759 4.143 ( 1.689 -0.566 -2.114) 2.765 4.432 ( -0.023 0.099 8.294) 8.294 4.446 ( -1.193 -1.346 8.068) 8.266 4.778 ( -0.976 4.497 -4.834) 6.674 4.878 ( -1.016 -4.741 -7.182) 8.665 5.565 ( -1.499 2.676 3.768) 4.859 5.622 ( -1.302 -2.463 2.214) 3.559 5.754 ( -0.483 0.908 -2.753) 2.938 5.779 ( -0.925 -1.150 -4.059) 4.319 5.906 ( -0.458 0.407 2.805) 2.871 5.932 ( 0.448 -1.777 3.242) 3.724 6.071 ( -1.110 2.273 -3.980) 4.716 6.102 ( -0.657 -0.641 -3.659) 3.773 6.296 ( -1.467 0.539 3.753) 4.065 6.304 ( -1.372 0.097 4.976) 5.162 6.472 ( -1.183 3.482 -3.053) 4.780 6.534 ( -1.136 -2.156 -3.921) 4.617 8.095 ( 0.749 0.921 5.896) 6.015 8.122 ( -0.328 -1.541 4.538) 4.804 8.420 ( 1.242 2.403 -8.205) 8.639 8.488 ( 1.076 -3.458 -8.667) 9.393 8.641 ( 0.400 2.144 1.769) 2.808 8.694 ( 0.642 -2.851 2.123) 3.612 8.799 ( 0.042 4.078 -3.413) 5.318 8.900 ( 0.454 -5.210 -4.968) 7.213 9.157 ( -0.870 2.776 14.736) 15.021 9.218 ( -0.096 -2.658 10.582) 10.912 9.600 ( -0.349 5.610 -5.128) 7.609 9.727 ( -0.765 -5.960 -7.745) 9.802 10.563 ( 0.158 3.359 3.479) 4.839 10.626 ( 0.138 -2.278 1.486) 2.724 10.836 ( 0.035 5.532 -2.222) 5.962 10.842 ( 0.268 3.014 -7.353) 7.952 10.879 ( 0.250 1.404 -0.377) 1.475 11.011 ( -0.044 -7.706 5.735) 9.606 11.290 ( -0.403 4.574 -10.423) 11.390 11.365 ( -0.314 -1.271 -3.994) 4.203 11.568 ( -0.379 9.716 11.555) 15.102 11.826 ( -0.368 -12.743 11.365) 17.079 12.137 ( -1.469 5.675 -10.826) 12.311 12.268 ( -1.725 -5.643 -7.364) 9.436 12.536 ( -2.028 1.903 6.725) 7.277 12.579 ( -3.492 -2.019 6.220) 7.414 12.726 ( -0.427 2.987 -1.868) 3.548 12.801 ( -3.956 -3.839 -2.734) 6.153 15.426 ( 0.797 0.803 1.001) 1.511 15.438 ( 0.001 -0.276 1.813) 1.834 15.472 ( 0.293 2.814 -0.614) 2.895 15.546 ( -0.299 -3.562 -1.711) 3.963 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 0.000 -14.804) 14.804 0.845 ( 0.000 0.000 14.804) 14.804 0.857 ( 0.000 0.000 -8.517) 8.517 0.857 ( 0.000 0.000 8.517) 8.517 1.404 ( 0.000 0.000 -10.121) 10.121 1.404 ( 0.000 0.000 10.121) 10.121 1.411 ( 0.000 0.000 -3.090) 3.090 1.411 ( 0.000 0.000 3.090) 3.090 1.703 ( 0.000 0.000 -3.196) 3.196 1.703 ( 0.000 0.000 3.196) 3.196 1.897 ( 0.000 0.000 -11.842) 11.842 1.897 ( 0.000 0.000 11.842) 11.842 1.982 ( 0.000 0.000 -29.937) 29.937 1.982 ( 0.000 0.000 29.937) 29.937 2.592 ( 0.000 0.000 -7.711) 7.711 2.592 ( 0.000 0.000 7.711) 7.711 2.764 ( 0.000 0.000 -2.801) 2.801 2.764 ( 0.000 0.000 2.801) 2.801 2.879 ( 0.000 0.000 -4.851) 4.851 2.879 ( 0.000 0.000 4.851) 4.851 2.943 ( 0.000 0.000 -2.759) 2.759 2.943 ( 0.000 0.000 2.759) 2.759 2.976 ( 0.000 0.000 -6.656) 6.656 2.976 ( 0.000 0.000 6.656) 6.656 3.232 ( 0.000 0.000 -6.887) 6.887 3.232 ( 0.000 0.000 6.887) 6.887 3.489 ( 0.000 0.000 -2.973) 2.973 3.489 ( 0.000 0.000 2.973) 2.973 3.492 ( 0.000 0.000 -0.026) 0.026 3.492 ( 0.000 0.000 0.026) 0.026 3.614 ( 0.000 0.000 -4.589) 4.589 3.614 ( 0.000 0.000 4.589) 4.589 4.110 ( 0.000 0.000 -1.027) 1.027 4.110 ( 0.000 0.000 1.027) 1.027 4.484 ( 0.000 0.000 -11.805) 11.805 4.484 ( 0.000 0.000 11.805) 11.805 4.514 ( 0.000 0.000 -20.131) 20.131 4.514 ( 0.000 0.000 20.131) 20.131 4.763 ( 0.000 0.000 -3.929) 3.929 4.763 ( 0.000 0.000 3.929) 3.929 5.739 ( 0.000 0.000 -0.352) 0.352 5.739 ( 0.000 0.000 0.352) 0.352 5.959 ( 0.000 0.000 -1.586) 1.586 5.959 ( 0.000 0.000 1.586) 1.586 6.081 ( 0.000 0.000 -3.749) 3.749 6.081 ( 0.000 0.000 3.749) 3.749 6.385 ( 0.000 0.000 -4.470) 4.470 6.385 ( 0.000 0.000 4.470) 4.470 6.664 ( 0.000 0.000 -0.277) 0.277 6.664 ( 0.000 0.000 0.277) 0.277 6.709 ( 0.000 0.000 -4.131) 4.131 6.709 ( 0.000 0.000 4.131) 4.131 7.827 ( 0.000 0.000 -0.089) 0.089 7.827 ( 0.000 0.000 0.089) 0.089 7.928 ( 0.000 0.000 -0.209) 0.209 7.928 ( 0.000 0.000 0.209) 0.209 8.344 ( 0.000 0.000 -6.760) 6.760 8.344 ( 0.000 0.000 6.760) 6.760 8.772 ( 0.000 0.000 -1.040) 1.040 8.772 ( 0.000 0.000 1.040) 1.040 9.389 ( 0.000 0.000 -3.236) 3.236 9.389 ( 0.000 0.000 3.236) 3.236 10.013 ( 0.000 0.000 -0.917) 0.917 10.013 ( 0.000 0.000 0.917) 0.917 10.373 ( 0.000 0.000 -7.829) 7.829 10.373 ( 0.000 0.000 7.829) 7.829 10.755 ( 0.000 0.000 -0.293) 0.293 10.755 ( 0.000 0.000 0.293) 0.293 11.380 ( 0.000 0.000 -11.491) 11.491 11.380 ( 0.000 0.000 11.491) 11.491 11.598 ( 0.000 0.000 -10.380) 10.380 11.598 ( 0.000 0.000 10.380) 10.380 12.114 ( 0.000 0.000 -2.728) 2.728 12.114 ( 0.000 0.000 2.728) 2.728 12.467 ( 0.000 0.000 -2.930) 2.930 12.467 ( 0.000 0.000 2.930) 2.930 12.482 ( 0.000 0.000 -4.063) 4.063 12.482 ( 0.000 0.000 4.063) 4.063 14.149 ( 0.000 0.000 -3.231) 3.231 14.149 ( 0.000 0.000 3.231) 3.231 15.131 ( 0.000 0.000 -1.956) 1.956 15.131 ( 0.000 0.000 1.956) 1.956 15.626 ( 0.000 0.000 -3.519) 3.519 15.626 ( 0.000 0.000 3.519) 3.519 ======================= Grid point 112 (38/54) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.084 0.000 -8.536) 8.536 0.833 ( 0.084 0.000 8.536) 8.536 0.929 ( 5.768 0.000 -9.050) 10.732 0.929 ( 5.768 0.000 9.050) 10.732 1.369 ( -0.567 0.000 -5.309) 5.340 1.369 ( -0.567 0.000 5.309) 5.340 1.491 ( 3.833 0.000 -3.058) 4.903 1.491 ( 3.833 0.000 3.058) 4.903 1.786 ( 8.621 0.000 -2.828) 9.073 1.786 ( 8.621 0.000 2.828) 9.073 1.883 ( -0.642 0.000 -12.022) 12.039 1.883 ( -0.642 0.000 12.022) 12.039 2.053 ( 6.492 0.000 -24.445) 25.292 2.053 ( 6.492 0.000 24.445) 25.292 2.567 ( -2.162 0.000 -5.953) 6.333 2.567 ( -2.162 0.000 5.953) 6.333 2.736 ( -2.382 0.000 -1.783) 2.976 2.736 ( -2.382 0.000 1.783) 2.976 2.847 ( -2.024 0.000 -3.045) 3.656 2.847 ( -2.024 0.000 3.045) 3.656 2.908 ( -1.081 0.000 -4.490) 4.619 2.908 ( -1.081 0.000 4.490) 4.619 3.107 ( 8.981 0.000 -4.675) 10.124 3.107 ( 8.981 0.000 4.675) 10.124 3.241 ( 0.666 0.000 -5.515) 5.555 3.241 ( 0.666 0.000 5.515) 5.555 3.455 ( -2.500 0.000 -2.229) 3.350 3.455 ( -2.500 0.000 2.229) 3.350 3.489 ( -0.408 0.000 -4.629) 4.647 3.489 ( -0.408 0.000 4.629) 4.647 3.630 ( 1.438 0.000 -2.321) 2.730 3.630 ( 1.438 0.000 2.321) 2.730 4.094 ( -1.573 0.000 -0.100) 1.576 4.094 ( -1.573 0.000 0.100) 1.576 4.385 ( -10.955 0.000 -12.617) 16.709 4.385 ( -10.955 0.000 12.617) 16.709 4.503 ( 1.815 0.000 -11.659) 11.800 4.503 ( 1.815 0.000 11.659) 11.800 4.805 ( 2.605 0.000 -7.052) 7.518 4.805 ( 2.605 0.000 7.052) 7.518 5.732 ( -0.680 0.000 -0.540) 0.869 5.732 ( -0.680 0.000 0.540) 0.869 5.952 ( -0.789 0.000 -1.769) 1.937 5.952 ( -0.789 0.000 1.769) 1.937 6.059 ( -2.156 0.000 -4.303) 4.813 6.059 ( -2.156 0.000 4.303) 4.813 6.318 ( -5.607 0.000 -4.613) 7.261 6.318 ( -5.607 0.000 4.613) 7.261 6.643 ( -2.140 0.000 -0.006) 2.140 6.643 ( -2.140 0.000 0.006) 2.140 6.696 ( -1.573 0.000 -4.353) 4.628 6.696 ( -1.573 0.000 4.353) 4.628 7.824 ( 2.161 0.000 -0.860) 2.326 7.824 ( 2.161 0.000 0.860) 2.326 8.086 ( 11.808 0.000 -3.615) 12.349 8.086 ( 11.808 0.000 3.615) 12.349 8.373 ( 3.085 0.000 -6.751) 7.422 8.373 ( 3.085 0.000 6.751) 7.422 8.760 ( -1.082 0.000 -0.947) 1.438 8.760 ( -1.082 0.000 0.947) 1.438 9.386 ( -0.314 0.000 -3.145) 3.160 9.386 ( -0.314 0.000 3.145) 3.160 9.984 ( -3.078 0.000 -2.786) 4.151 9.984 ( -3.078 0.000 2.786) 4.151 10.386 ( 1.379 0.000 -7.621) 7.745 10.386 ( 1.379 0.000 7.621) 7.745 10.749 ( -0.688 0.000 -0.824) 1.073 10.749 ( -0.688 0.000 0.824) 1.073 11.330 ( -6.300 0.000 -7.743) 9.982 11.330 ( -6.300 0.000 7.743) 9.982 11.512 ( -7.098 0.000 -8.921) 11.401 11.512 ( -7.098 0.000 8.921) 11.401 12.004 ( -10.733 0.000 -10.374) 14.927 12.004 ( -10.733 0.000 10.374) 14.927 12.249 ( -3.217 0.000 -0.185) 3.222 12.249 ( -3.217 0.000 0.185) 3.222 12.749 ( 9.415 0.000 -3.019) 9.887 12.749 ( 9.415 0.000 3.019) 9.887 13.985 ( -14.970 0.000 -4.481) 15.626 13.985 ( -14.970 0.000 4.481) 15.626 15.147 ( 1.637 0.000 -1.973) 2.563 15.147 ( 1.637 0.000 1.973) 2.563 15.646 ( 1.238 0.000 -5.215) 5.360 15.646 ( 1.238 0.000 5.215) 5.360 ======================= Grid point 114 (39/54) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.450 0.000 -0.644) 2.533 0.818 ( -2.450 0.000 0.644) 2.533 1.078 ( 9.311 0.000 -10.941) 14.366 1.078 ( 9.311 0.000 10.941) 14.366 1.386 ( 2.399 0.000 -5.975) 6.439 1.386 ( 2.399 0.000 5.975) 6.439 1.559 ( 3.651 0.000 -2.879) 4.649 1.559 ( 3.651 0.000 2.879) 4.649 1.808 ( -2.520 0.000 -7.588) 7.996 1.808 ( -2.520 0.000 7.588) 7.996 2.069 ( 13.830 0.000 -6.125) 15.126 2.069 ( 13.830 0.000 6.125) 15.126 2.182 ( 6.112 0.000 -16.683) 17.768 2.182 ( 6.112 0.000 16.683) 17.768 2.534 ( -0.462 0.000 -5.854) 5.872 2.534 ( -0.462 0.000 5.854) 5.872 2.695 ( -1.385 0.000 -1.883) 2.337 2.695 ( -1.385 0.000 1.883) 2.337 2.823 ( -0.475 0.000 -5.751) 5.771 2.823 ( -0.475 0.000 5.751) 5.771 2.880 ( -2.027 0.000 -1.742) 2.673 2.880 ( -2.027 0.000 1.742) 2.673 3.237 ( -1.326 0.000 -2.428) 2.767 3.237 ( -1.326 0.000 2.428) 2.767 3.274 ( 6.439 0.000 -1.555) 6.624 3.274 ( 6.439 0.000 1.555) 6.624 3.433 ( -0.335 0.000 -2.879) 2.899 3.433 ( -0.335 0.000 2.879) 2.899 3.488 ( 2.889 0.000 -6.847) 7.432 3.488 ( 2.889 0.000 6.847) 7.432 3.674 ( 3.321 0.000 -0.424) 3.348 3.674 ( 3.321 0.000 0.424) 3.348 4.053 ( -2.708 0.000 -2.601) 3.754 4.053 ( -2.708 0.000 2.601) 3.754 4.155 ( -11.531 0.000 -3.522) 12.057 4.155 ( -11.531 0.000 3.522) 12.057 4.545 ( 2.222 0.000 -10.840) 11.066 4.545 ( 2.222 0.000 10.840) 11.066 4.835 ( 0.399 0.000 -7.991) 8.001 4.835 ( 0.399 0.000 7.991) 8.001 5.714 ( -1.083 0.000 -1.202) 1.618 5.714 ( -1.083 0.000 1.202) 1.618 5.919 ( -2.957 0.000 -2.697) 4.002 5.919 ( -2.957 0.000 2.697) 4.002 6.011 ( -2.376 0.000 -4.030) 4.678 6.011 ( -2.376 0.000 4.030) 4.678 6.211 ( -4.991 0.000 -2.565) 5.611 6.211 ( -4.991 0.000 2.565) 5.611 6.580 ( -4.296 0.000 -0.556) 4.332 6.580 ( -4.296 0.000 0.556) 4.332 6.646 ( -3.524 0.000 -5.235) 6.310 6.646 ( -3.524 0.000 5.235) 6.310 7.909 ( 5.998 0.000 -2.880) 6.654 7.909 ( 5.998 0.000 2.880) 6.654 8.288 ( 7.764 0.000 -6.876) 10.372 8.288 ( 7.764 0.000 6.876) 10.372 8.464 ( 5.774 0.000 -7.676) 9.605 8.464 ( 5.774 0.000 7.676) 9.605 8.744 ( -0.029 0.000 -0.624) 0.625 8.744 ( -0.029 0.000 0.624) 0.625 9.379 ( -0.358 0.000 -2.981) 3.003 9.379 ( -0.358 0.000 2.981) 3.003 9.890 ( -6.464 0.000 -8.030) 10.309 9.890 ( -6.464 0.000 8.030) 10.309 10.426 ( 2.791 0.000 -7.031) 7.565 10.426 ( 2.791 0.000 7.031) 7.565 10.727 ( -1.557 0.000 -2.217) 2.709 10.727 ( -1.557 0.000 2.217) 2.709 11.134 ( -10.935 0.000 -7.343) 13.172 11.134 ( -10.935 0.000 7.343) 13.172 11.416 ( -3.019 0.000 -1.102) 3.214 11.416 ( -3.019 0.000 1.102) 3.214 11.832 ( -6.499 0.000 -14.712) 16.083 11.832 ( -6.499 0.000 14.712) 16.083 12.246 ( 1.181 0.000 -1.987) 2.312 12.246 ( 1.181 0.000 1.987) 2.312 12.833 ( -0.225 0.000 -0.271) 0.353 12.833 ( -0.225 0.000 0.271) 0.353 13.647 ( -18.697 0.000 -1.738) 18.778 13.647 ( -18.697 0.000 1.738) 18.778 15.193 ( 3.042 0.000 -1.982) 3.631 15.193 ( 3.042 0.000 1.982) 3.631 15.653 ( -0.599 0.000 -6.114) 6.143 15.653 ( -0.599 0.000 6.114) 6.143 ======================= Grid point 116 (40/54) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -5.349 0.000 -4.436) 6.949 0.737 ( -5.349 0.000 4.436) 6.949 1.270 ( 9.917 0.000 -10.507) 14.448 1.270 ( 9.917 0.000 10.507) 14.448 1.449 ( 3.547 0.000 -3.168) 4.756 1.449 ( 3.547 0.000 3.168) 4.756 1.622 ( 2.180 0.000 -1.007) 2.401 1.622 ( 2.180 0.000 1.007) 2.401 1.788 ( 1.305 0.000 -0.883) 1.576 1.788 ( 1.305 0.000 0.883) 1.576 2.207 ( 1.749 0.000 -1.851) 2.546 2.207 ( 1.749 0.000 1.851) 2.546 2.335 ( 7.500 0.000 -6.301) 9.795 2.335 ( 7.500 0.000 6.301) 9.795 2.567 ( 3.349 0.000 -6.874) 7.646 2.567 ( 3.349 0.000 6.874) 7.646 2.687 ( 0.293 0.000 -7.277) 7.282 2.687 ( 0.293 0.000 7.277) 7.282 2.823 ( 0.509 0.000 -7.848) 7.864 2.823 ( 0.509 0.000 7.848) 7.864 2.844 ( -0.851 0.000 -3.597) 3.697 2.844 ( -0.851 0.000 3.597) 3.697 3.211 ( -0.666 0.000 -2.995) 3.068 3.211 ( -0.666 0.000 2.995) 3.068 3.285 ( -4.370 0.000 -0.570) 4.407 3.285 ( -4.370 0.000 0.570) 4.407 3.450 ( 2.577 0.000 -3.056) 3.997 3.450 ( 2.577 0.000 3.056) 3.997 3.633 ( 9.112 0.000 -1.058) 9.173 3.633 ( 9.112 0.000 1.058) 9.173 3.762 ( 6.045 0.000 -2.955) 6.728 3.762 ( 6.045 0.000 2.955) 6.728 3.934 ( -8.318 0.000 -1.193) 8.403 3.934 ( -8.318 0.000 1.193) 8.403 4.023 ( -2.795 0.000 -0.257) 2.806 4.023 ( -2.795 0.000 0.257) 2.806 4.580 ( 1.273 0.000 -8.830) 8.921 4.580 ( 1.273 0.000 8.830) 8.921 4.820 ( -1.855 0.000 -8.855) 9.047 4.820 ( -1.855 0.000 8.855) 9.047 5.693 ( -1.087 0.000 -2.450) 2.680 5.693 ( -1.087 0.000 2.450) 2.680 5.842 ( -4.604 0.000 -3.452) 5.755 5.842 ( -4.604 0.000 3.452) 5.755 5.969 ( -2.064 0.000 -2.447) 3.201 5.969 ( -2.064 0.000 2.447) 3.201 6.132 ( -3.063 0.000 -0.674) 3.137 6.132 ( -3.063 0.000 0.674) 3.137 6.485 ( -5.257 0.000 -0.900) 5.334 6.485 ( -5.257 0.000 0.900) 5.334 6.567 ( -4.364 0.000 -6.200) 7.582 6.567 ( -4.364 0.000 6.200) 7.582 8.033 ( 6.451 0.000 -4.788) 8.034 8.033 ( 6.451 0.000 4.788) 8.034 8.385 ( 2.557 0.000 -7.814) 8.222 8.385 ( 2.557 0.000 7.814) 8.222 8.551 ( 2.850 0.000 -6.197) 6.821 8.551 ( 2.850 0.000 6.197) 6.821 8.782 ( 3.781 0.000 -2.237) 4.393 8.782 ( 3.781 0.000 2.237) 4.393 9.374 ( -0.091 0.000 -2.989) 2.991 9.374 ( -0.091 0.000 2.989) 2.991 9.749 ( -7.542 0.000 -13.991) 15.895 9.749 ( -7.542 0.000 13.991) 15.895 10.489 ( 3.480 0.000 -6.281) 7.180 10.489 ( 3.480 0.000 6.281) 7.180 10.692 ( -1.899 0.000 -3.153) 3.681 10.692 ( -1.899 0.000 3.153) 3.681 10.979 ( -5.063 0.000 -10.717) 11.853 10.979 ( -5.063 0.000 10.717) 11.853 11.371 ( -1.833 0.000 -3.690) 4.121 11.371 ( -1.833 0.000 3.690) 4.121 11.741 ( -3.169 0.000 -15.386) 15.709 11.741 ( -3.169 0.000 15.386) 15.709 12.276 ( 1.813 0.000 -3.035) 3.535 12.276 ( 1.813 0.000 3.035) 3.535 12.768 ( -5.592 0.000 -3.266) 6.475 12.768 ( -5.592 0.000 3.266) 6.475 13.289 ( -17.800 0.000 -3.920) 18.227 13.289 ( -17.800 0.000 3.920) 18.227 15.262 ( 3.922 0.000 -1.910) 4.362 15.262 ( 3.922 0.000 1.910) 4.362 15.628 ( -1.766 0.000 -5.548) 5.822 15.628 ( -1.766 0.000 5.548) 5.822 ======================= Grid point 118 (41/54) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -4.956 0.000 -1.841) 5.287 0.633 ( -4.956 0.000 1.841) 5.287 1.426 ( 4.684 0.000 -5.540) 7.255 1.426 ( 4.684 0.000 5.540) 7.255 1.516 ( 4.392 0.000 -1.758) 4.731 1.516 ( 4.392 0.000 1.758) 4.731 1.647 ( 0.923 0.000 -0.429) 1.018 1.647 ( 0.923 0.000 0.429) 1.018 1.847 ( 3.745 0.000 -10.669) 11.307 1.847 ( 3.745 0.000 10.669) 11.307 2.240 ( 2.391 0.000 -1.155) 2.656 2.240 ( 2.391 0.000 1.155) 2.656 2.397 ( -0.635 0.000 -2.322) 2.407 2.397 ( -0.635 0.000 2.322) 2.407 2.617 ( 1.347 0.000 -3.553) 3.800 2.617 ( 1.347 0.000 3.553) 3.800 2.696 ( 1.083 0.000 -8.594) 8.662 2.696 ( 1.083 0.000 8.594) 8.662 2.838 ( -0.332 0.000 -1.918) 1.947 2.838 ( -0.332 0.000 1.918) 1.947 2.870 ( 3.736 0.000 -6.218) 7.254 2.870 ( 3.736 0.000 6.218) 7.254 3.159 ( -6.138 0.000 -5.804) 8.448 3.159 ( -6.138 0.000 5.804) 8.448 3.242 ( 2.262 0.000 -0.051) 2.263 3.242 ( 2.262 0.000 0.051) 2.263 3.476 ( -1.058 0.000 -0.546) 1.191 3.476 ( -1.058 0.000 0.546) 1.191 3.765 ( 4.462 0.000 -1.531) 4.717 3.765 ( 4.462 0.000 1.531) 4.717 3.835 ( -1.105 0.000 -1.050) 1.525 3.835 ( -1.105 0.000 1.050) 1.525 3.905 ( 6.758 0.000 -3.443) 7.585 3.905 ( 6.758 0.000 3.443) 7.585 3.980 ( -1.010 0.000 -1.715) 1.990 3.980 ( -1.010 0.000 1.715) 1.990 4.593 ( 0.178 0.000 -5.619) 5.622 4.593 ( 0.178 0.000 5.619) 5.622 4.769 ( -3.194 0.000 -10.691) 11.158 4.769 ( -3.194 0.000 10.691) 11.158 5.673 ( -1.057 0.000 -4.659) 4.778 5.673 ( -1.057 0.000 4.659) 4.778 5.756 ( -3.876 0.000 -3.033) 4.922 5.756 ( -3.876 0.000 3.033) 4.922 5.932 ( -1.535 0.000 -0.848) 1.754 5.932 ( -1.535 0.000 0.848) 1.754 6.091 ( -1.392 0.000 -0.084) 1.394 6.091 ( -1.392 0.000 0.084) 1.394 6.390 ( -4.232 0.000 -0.881) 4.323 6.390 ( -4.232 0.000 0.881) 4.323 6.486 ( -3.740 0.000 -6.889) 7.838 6.486 ( -3.740 0.000 6.889) 7.838 8.149 ( 5.338 0.000 -5.970) 8.008 8.149 ( 5.338 0.000 5.970) 8.008 8.391 ( -1.517 0.000 -9.202) 9.326 8.391 ( -1.517 0.000 9.202) 9.326 8.599 ( 2.440 0.000 -3.192) 4.018 8.599 ( 2.440 0.000 3.192) 4.018 8.856 ( 3.192 0.000 -5.479) 6.341 8.856 ( 3.192 0.000 5.479) 6.341 9.376 ( 0.332 0.000 -3.417) 3.433 9.376 ( 0.332 0.000 3.417) 3.433 9.617 ( -5.758 0.000 -17.819) 18.726 9.617 ( -5.758 0.000 17.819) 18.726 10.553 ( 2.912 0.000 -5.834) 6.520 10.553 ( 2.912 0.000 5.834) 6.520 10.661 ( -1.207 0.000 -2.704) 2.961 10.661 ( -1.207 0.000 2.704) 2.961 10.919 ( -1.658 0.000 -9.839) 9.978 10.919 ( -1.658 0.000 9.839) 9.978 11.343 ( -1.048 0.000 -3.900) 4.039 11.343 ( -1.048 0.000 3.900) 4.039 11.703 ( -0.928 0.000 -16.001) 16.028 11.703 ( -0.928 0.000 16.001) 16.028 12.313 ( 1.926 0.000 -3.111) 3.658 12.313 ( 1.926 0.000 3.111) 3.658 12.652 ( -5.369 0.000 -2.459) 5.906 12.652 ( -5.369 0.000 2.459) 5.906 12.974 ( -14.358 0.000 -7.584) 16.238 12.974 ( -14.358 0.000 7.584) 16.238 15.339 ( 3.886 0.000 -1.725) 4.252 15.339 ( 3.886 0.000 1.725) 4.252 15.589 ( -2.140 0.000 -4.817) 5.271 15.589 ( -2.140 0.000 4.817) 5.271 ======================= Grid point 120 (42/54) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -2.011 0.000 -1.897) 2.765 0.562 ( -2.011 0.000 1.897) 2.765 1.457 ( 0.167 0.000 -2.488) 2.494 1.457 ( 0.167 0.000 2.488) 2.494 1.606 ( 2.936 0.000 -4.569) 5.431 1.606 ( 2.936 0.000 4.569) 5.431 1.661 ( 0.564 0.000 -8.070) 8.089 1.661 ( 0.564 0.000 8.070) 8.089 1.906 ( 1.837 0.000 -9.829) 9.999 1.906 ( 1.837 0.000 9.829) 9.999 2.287 ( 1.579 0.000 -6.112) 6.313 2.287 ( 1.579 0.000 6.112) 6.313 2.360 ( -1.609 0.000 -4.348) 4.636 2.360 ( -1.609 0.000 4.348) 4.636 2.627 ( 0.015 0.000 -3.033) 3.033 2.627 ( 0.015 0.000 3.033) 3.033 2.734 ( 2.064 0.000 -7.951) 8.214 2.734 ( 2.064 0.000 7.951) 8.214 2.819 ( -1.230 0.000 -1.520) 1.955 2.819 ( -1.230 0.000 1.520) 1.955 2.932 ( 2.125 0.000 -5.611) 6.000 2.932 ( 2.125 0.000 5.611) 6.000 3.055 ( -3.650 0.000 -7.124) 8.005 3.055 ( -3.650 0.000 7.124) 8.005 3.308 ( 3.854 0.000 -3.990) 5.547 3.308 ( 3.854 0.000 3.990) 5.547 3.416 ( -3.944 0.000 -0.917) 4.049 3.416 ( -3.944 0.000 0.917) 4.049 3.831 ( 2.666 0.000 -1.367) 2.996 3.831 ( 2.666 0.000 1.367) 2.996 3.853 ( 1.019 0.000 -4.440) 4.555 3.853 ( 1.019 0.000 4.440) 4.555 3.918 ( -1.602 0.000 -0.203) 1.615 3.918 ( -1.602 0.000 0.203) 1.615 4.043 ( 3.283 0.000 -3.270) 4.633 4.043 ( 3.283 0.000 3.270) 4.633 4.594 ( 0.047 0.000 -1.577) 1.577 4.594 ( 0.047 0.000 1.577) 1.577 4.713 ( -1.962 0.000 -13.402) 13.545 4.713 ( -1.962 0.000 13.402) 13.545 5.652 ( -0.825 0.000 -7.347) 7.393 5.652 ( -0.825 0.000 7.347) 7.393 5.705 ( -1.252 0.000 -1.852) 2.236 5.705 ( -1.252 0.000 1.852) 2.236 5.915 ( -0.327 0.000 -0.634) 0.713 5.915 ( -0.327 0.000 0.634) 0.713 6.073 ( -0.450 0.000 -0.266) 0.523 6.073 ( -0.450 0.000 0.266) 0.523 6.332 ( -1.601 0.000 -0.690) 1.743 6.332 ( -1.601 0.000 0.690) 1.743 6.433 ( -1.526 0.000 -7.247) 7.406 6.433 ( -1.526 0.000 7.247) 7.406 8.235 ( 3.220 0.000 -5.553) 6.419 8.235 ( 3.220 0.000 5.553) 6.419 8.348 ( -2.243 0.000 -10.506) 10.743 8.348 ( -2.243 0.000 10.506) 10.743 8.636 ( 1.100 0.000 -2.604) 2.827 8.636 ( 1.100 0.000 2.604) 2.827 8.897 ( 1.028 0.000 -6.822) 6.899 8.897 ( 1.028 0.000 6.822) 6.899 9.385 ( 0.442 0.000 -3.868) 3.893 9.385 ( 0.442 0.000 3.868) 3.893 9.536 ( -2.354 0.000 -19.574) 19.715 9.536 ( -2.354 0.000 19.574) 19.715 10.595 ( 1.274 0.000 -6.393) 6.519 10.595 ( 1.274 0.000 6.393) 6.519 10.645 ( -0.502 0.000 -1.372) 1.461 10.645 ( -0.502 0.000 1.372) 1.461 10.901 ( -0.370 0.000 -9.020) 9.028 10.901 ( -0.370 0.000 9.020) 9.028 11.330 ( -0.334 0.000 -3.698) 3.713 11.330 ( -0.334 0.000 3.698) 3.713 11.696 ( -0.013 0.000 -16.815) 16.815 11.696 ( -0.013 0.000 16.815) 16.815 12.340 ( 0.648 0.000 -1.609) 1.735 12.340 ( 0.648 0.000 1.609) 1.735 12.598 ( 0.126 0.000 -2.764) 2.767 12.598 ( 0.126 0.000 2.764) 2.767 12.752 ( -7.748 0.000 -7.259) 10.617 12.752 ( -7.748 0.000 7.259) 10.617 15.401 ( 2.118 0.000 -1.355) 2.514 15.401 ( 2.118 0.000 1.355) 2.514 15.552 ( -1.427 0.000 -4.613) 4.829 15.552 ( -1.427 0.000 4.613) 4.829 ======================= Grid point 132 (43/54) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 5.190 -14.486) 15.387 0.905 ( 0.000 5.190 14.486) 15.387 0.909 ( 0.000 4.611 -9.968) 10.982 0.909 ( 0.000 4.611 9.968) 10.982 1.374 ( 0.000 -3.760 -6.536) 7.541 1.374 ( 0.000 -3.760 6.536) 7.541 1.401 ( 0.000 -1.716 -8.506) 8.678 1.401 ( 0.000 -1.716 8.506) 8.678 1.697 ( 0.000 0.397 -4.636) 4.653 1.697 ( 0.000 0.397 4.636) 4.653 1.855 ( 0.000 -3.189 -12.537) 12.936 1.855 ( 0.000 -3.189 12.537) 12.936 2.064 ( 0.000 8.174 -19.149) 20.820 2.064 ( 0.000 8.174 19.149) 20.820 2.582 ( 0.000 -1.621 -6.693) 6.886 2.582 ( 0.000 -1.621 6.693) 6.886 2.716 ( 0.000 -3.408 -4.149) 5.370 2.716 ( 0.000 -3.408 4.149) 5.370 2.865 ( 0.000 -4.303 -3.845) 5.771 2.865 ( 0.000 -4.303 3.845) 5.771 2.946 ( 0.000 3.385 -10.650) 11.174 2.946 ( 0.000 3.385 10.650) 11.174 3.023 ( 0.000 2.899 -7.801) 8.322 3.023 ( 0.000 2.899 7.801) 8.322 3.278 ( 0.000 4.379 -8.014) 9.133 3.278 ( 0.000 4.379 8.014) 9.133 3.479 ( 0.000 -0.612 -2.546) 2.619 3.479 ( 0.000 -0.612 2.546) 2.619 3.523 ( 0.000 2.465 -0.197) 2.473 3.523 ( 0.000 2.465 0.197) 2.473 3.631 ( 0.000 1.045 -2.581) 2.785 3.631 ( 0.000 1.045 2.581) 2.785 4.048 ( 0.000 -4.792 -6.648) 8.195 4.048 ( 0.000 -4.792 6.648) 8.195 4.358 ( 0.000 -10.327 -10.294) 14.582 4.358 ( 0.000 -10.327 10.294) 14.582 4.555 ( 0.000 3.407 -6.768) 7.577 4.555 ( 0.000 3.407 6.768) 7.577 4.760 ( 0.000 -0.537 -5.427) 5.453 4.760 ( 0.000 -0.537 5.427) 5.453 5.764 ( 0.000 2.180 -0.488) 2.234 5.764 ( 0.000 2.180 0.488) 2.234 5.977 ( 0.000 1.828 -3.523) 3.969 5.977 ( 0.000 1.828 3.523) 3.969 6.027 ( 0.000 -4.441 -4.105) 6.048 6.027 ( 0.000 -4.441 4.105) 6.048 6.307 ( 0.000 -6.186 -4.544) 7.675 6.307 ( 0.000 -6.186 4.544) 7.675 6.673 ( 0.000 0.877 -0.978) 1.313 6.673 ( 0.000 0.877 0.978) 1.313 6.711 ( 0.000 0.101 -3.774) 3.775 6.711 ( 0.000 0.101 3.774) 3.775 7.835 ( 0.000 0.783 -1.975) 2.124 7.835 ( 0.000 0.783 1.975) 2.124 7.927 ( 0.000 -0.496 -1.514) 1.593 7.927 ( 0.000 -0.496 1.514) 1.593 8.427 ( 0.000 6.701 -3.485) 7.553 8.427 ( 0.000 6.701 3.485) 7.553 8.754 ( 0.000 -1.742 -0.817) 1.924 8.754 ( 0.000 -1.742 0.817) 1.924 9.428 ( 0.000 3.525 -6.134) 7.075 9.428 ( 0.000 3.525 6.134) 7.075 9.879 ( 0.000 -9.242 -5.975) 11.005 9.879 ( 0.000 -9.242 5.975) 11.005 10.486 ( 0.000 7.487 -3.679) 8.342 10.486 ( 0.000 7.487 3.679) 8.342 10.751 ( 0.000 -0.586 -1.332) 1.455 10.751 ( 0.000 -0.586 1.332) 1.455 11.380 ( 0.000 0.350 -11.892) 11.897 11.380 ( 0.000 0.350 11.892) 11.897 11.565 ( 0.000 -2.963 -11.039) 11.430 11.565 ( 0.000 -2.963 11.039) 11.430 12.158 ( 0.000 3.570 -3.458) 4.970 12.158 ( 0.000 3.570 3.458) 4.970 12.435 ( 0.000 -3.908 -3.217) 5.062 12.435 ( 0.000 -3.908 3.217) 5.062 12.546 ( 0.000 7.631 -6.031) 9.727 12.546 ( 0.000 7.631 6.031) 9.727 13.786 ( 0.000 -26.070 -15.616) 30.389 13.786 ( 0.000 -26.070 15.616) 30.389 15.291 ( 0.000 9.829 -4.405) 10.770 15.291 ( 0.000 9.829 4.405) 10.770 15.612 ( 0.000 -1.375 -3.780) 4.022 15.612 ( 0.000 -1.375 3.780) 4.022 ======================= Grid point 134 (44/54) ======================= q-point: ( 0.09 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.422 3.696 -6.176) 7.210 0.876 ( 0.422 3.696 6.176) 7.210 0.988 ( 4.291 5.191 -6.963) 9.687 0.988 ( 4.291 5.191 6.963) 9.687 1.392 ( 2.766 -1.722 -2.814) 4.305 1.392 ( 2.766 -1.722 2.814) 4.305 1.446 ( 2.617 -1.208 -5.118) 5.874 1.446 ( 2.617 -1.208 5.118) 5.874 1.757 ( 5.147 -2.006 -0.883) 5.594 1.757 ( 5.147 -2.006 0.883) 5.594 1.878 ( 3.164 -1.362 -10.095) 10.667 1.878 ( 3.164 -1.362 10.095) 10.667 2.111 ( 5.078 6.689 -17.001) 18.963 2.111 ( 5.078 6.689 17.001) 18.963 2.559 ( -2.136 -1.207 -6.287) 6.748 2.559 ( -2.136 -1.207 6.287) 6.748 2.692 ( -1.818 -3.089 -4.478) 5.736 2.692 ( -1.818 -3.089 4.478) 5.736 2.856 ( -2.033 -0.029 -2.443) 3.178 2.856 ( -2.033 -0.029 2.443) 3.178 2.906 ( -0.992 -0.226 -7.535) 7.604 2.906 ( -0.992 -0.226 7.535) 7.604 3.104 ( 5.564 -0.507 -2.481) 6.113 3.104 ( 5.564 -0.507 2.481) 6.113 3.302 ( 2.413 5.373 -8.399) 10.258 3.302 ( 2.413 5.373 8.399) 10.258 3.477 ( -0.836 0.161 -3.114) 3.229 3.477 ( -0.836 0.161 3.114) 3.229 3.491 ( -1.823 2.515 -1.670) 3.527 3.491 ( -1.823 2.515 1.670) 3.527 3.651 ( 1.619 1.288 -0.788) 2.213 3.651 ( 1.619 1.288 0.788) 2.213 4.031 ( -1.574 -5.027 -5.736) 7.788 4.031 ( -1.574 -5.027 5.736) 7.788 4.268 ( -8.558 -9.388 -8.356) 15.206 4.268 ( -8.558 -9.388 8.356) 15.206 4.552 ( 0.524 3.762 -9.691) 10.409 4.552 ( 0.524 3.762 9.691) 10.409 4.789 ( 1.936 -1.475 -7.116) 7.520 4.789 ( 1.936 -1.475 7.116) 7.520 5.755 ( -0.809 2.061 -0.652) 2.308 5.755 ( -0.809 2.061 0.652) 2.308 5.959 ( -1.887 0.030 -3.592) 4.057 5.959 ( -1.887 0.030 3.592) 4.057 6.019 ( -0.657 -2.300 -4.195) 4.829 6.019 ( -0.657 -2.300 4.195) 4.829 6.268 ( -3.510 -4.362 -4.188) 6.992 6.268 ( -3.510 -4.362 4.188) 6.992 6.649 ( -2.329 0.707 -1.046) 2.649 6.649 ( -2.329 0.707 1.046) 2.649 6.695 ( -1.794 -0.129 -4.061) 4.441 6.695 ( -1.794 -0.129 4.061) 4.441 7.849 ( 2.755 2.040 -2.049) 3.994 7.849 ( 2.755 2.040 2.049) 3.994 8.043 ( 9.225 -3.203 -1.451) 9.873 8.043 ( 9.225 -3.203 1.451) 9.873 8.456 ( 2.930 6.297 -2.995) 7.563 8.456 ( 2.930 6.297 2.995) 7.563 8.745 ( -0.807 -1.468 -0.734) 1.829 8.745 ( -0.807 -1.468 0.734) 1.829 9.424 ( -0.394 3.456 -6.088) 7.012 9.424 ( -0.394 3.456 6.088) 7.012 9.860 ( -2.066 -8.760 -7.030) 11.421 9.860 ( -2.066 -8.760 7.030) 11.421 10.492 ( 0.684 7.196 -3.674) 8.108 10.492 ( 0.684 7.196 3.674) 8.108 10.745 ( -0.641 -0.545 -1.553) 1.766 10.745 ( -0.641 -0.545 1.553) 1.766 11.323 ( -6.429 -0.043 -9.717) 11.651 11.323 ( -6.429 -0.043 9.717) 11.651 11.493 ( -5.877 -2.054 -9.953) 11.740 11.493 ( -5.877 -2.054 9.953) 11.740 12.078 ( -9.135 6.092 -9.823) 14.732 12.078 ( -9.135 6.092 9.823) 14.732 12.265 ( -3.735 1.241 -2.356) 4.587 12.265 ( -3.735 1.241 2.356) 4.587 12.747 ( 8.629 0.857 -1.201) 8.754 12.747 ( 8.629 0.857 1.201) 8.754 13.697 ( -8.733 -21.901 -12.170) 26.533 13.697 ( -8.733 -21.901 12.170) 26.533 15.272 ( -1.152 8.616 -2.329) 8.999 15.272 ( -1.152 8.616 2.329) 8.999 15.623 ( 0.548 -2.132 -4.918) 5.388 15.623 ( 0.548 -2.132 4.918) 5.388 ======================= Grid point 136 (45/54) ======================= q-point: ( 0.18 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -2.008 4.906 -0.336) 5.312 0.874 ( -2.008 4.906 0.336) 5.312 1.095 ( 7.365 1.961 -9.453) 12.143 1.095 ( 7.365 1.961 9.453) 12.143 1.459 ( 3.542 2.857 -0.391) 4.567 1.459 ( 3.542 2.857 0.391) 4.567 1.498 ( 3.006 -3.341 -2.115) 4.967 1.498 ( 3.006 -3.341 2.115) 4.967 1.793 ( 0.141 -0.395 -5.526) 5.542 1.793 ( 0.141 -0.395 5.526) 5.542 2.051 ( 12.104 -2.059 -2.131) 12.462 2.051 ( 12.104 -2.059 2.131) 12.462 2.234 ( 6.172 4.690 -11.149) 13.579 2.234 ( 6.172 4.690 11.149) 13.579 2.517 ( -1.453 -1.299 -6.242) 6.539 2.517 ( -1.453 -1.299 6.242) 6.539 2.671 ( 0.053 -1.911 -2.830) 3.415 2.671 ( 0.053 -1.911 2.830) 3.415 2.810 ( -1.918 0.571 -3.929) 4.409 2.810 ( -1.918 0.571 3.929) 4.409 2.892 ( -0.942 -0.139 -3.779) 3.897 2.892 ( -0.942 -0.139 3.779) 3.897 3.207 ( 4.435 -3.901 -4.410) 7.371 3.207 ( 4.435 -3.901 4.410) 7.371 3.344 ( 1.023 5.053 -5.055) 7.220 3.344 ( 1.023 5.053 5.055) 7.220 3.423 ( -3.078 1.714 -1.451) 3.810 3.423 ( -3.078 1.714 1.451) 3.810 3.520 ( 4.393 2.392 -1.398) 5.194 3.520 ( 4.393 2.392 1.398) 5.194 3.692 ( 2.780 1.058 -4.744) 5.599 3.692 ( 2.780 1.058 4.744) 5.599 3.990 ( -3.233 -5.348 -4.931) 7.961 3.990 ( -3.233 -5.348 4.931) 7.961 4.083 ( -8.714 -6.250 -2.158) 10.939 4.083 ( -8.714 -6.250 2.158) 10.939 4.576 ( 1.520 2.811 -10.449) 10.927 4.576 ( 1.520 2.811 10.449) 10.927 4.812 ( 0.254 -2.087 -8.149) 8.416 4.812 ( 0.254 -2.087 8.149) 8.416 5.735 ( -1.293 1.770 -1.211) 2.504 5.735 ( -1.293 1.770 1.211) 2.504 5.904 ( -3.636 -1.586 -3.608) 5.362 5.904 ( -3.636 -1.586 3.608) 5.362 6.005 ( -0.899 0.224 -3.922) 4.030 6.005 ( -0.899 0.224 3.922) 4.030 6.191 ( -4.097 -2.077 -2.528) 5.243 6.191 ( -4.097 -2.077 2.528) 5.243 6.585 ( -4.259 0.549 -1.311) 4.490 6.585 ( -4.259 0.549 1.311) 4.490 6.641 ( -3.608 -0.393 -4.896) 6.095 6.641 ( -3.608 -0.393 4.896) 6.095 7.938 ( 5.938 2.523 -3.328) 7.260 7.938 ( 5.938 2.523 3.328) 7.260 8.216 ( 7.653 -5.075 -4.038) 10.031 8.216 ( 7.653 -5.075 4.038) 10.031 8.532 ( 4.311 4.683 -3.966) 7.500 8.532 ( 4.311 4.683 3.966) 7.500 8.734 ( 0.046 -0.996 -0.917) 1.355 8.734 ( 0.046 -0.996 0.917) 1.355 9.415 ( -0.567 3.195 -5.914) 6.746 9.415 ( -0.567 3.195 5.914) 6.746 9.795 ( -4.548 -7.084 -10.172) 13.204 9.795 ( -4.548 -7.084 10.172) 13.204 10.514 ( 1.566 6.242 -3.969) 7.561 10.514 ( 1.566 6.242 3.969) 7.561 10.726 ( -1.323 -0.314 -2.193) 2.580 10.726 ( -1.323 -0.314 2.193) 2.580 11.150 ( -9.377 1.739 -9.158) 13.222 11.150 ( -9.377 1.739 9.158) 13.222 11.399 ( -3.685 -2.079 -6.145) 7.460 11.399 ( -3.685 -2.079 6.145) 7.460 11.909 ( -7.068 7.019 -14.888) 17.913 11.909 ( -7.068 7.019 14.888) 17.913 12.250 ( 0.348 0.091 -3.518) 3.536 12.250 ( 0.348 0.091 3.518) 3.536 12.826 ( -0.156 0.035 -2.216) 2.222 12.826 ( -0.156 0.035 2.216) 2.222 13.473 ( -13.712 -14.334 -4.722) 20.391 13.473 ( -13.712 -14.334 4.722) 20.391 15.269 ( 0.971 6.045 -0.556) 6.147 15.269 ( 0.971 6.045 0.556) 6.147 15.620 ( -0.798 -2.915 -5.409) 6.196 15.620 ( -0.798 -2.915 5.409) 6.196 ======================= Grid point 138 (46/54) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -5.746 5.461 -2.229) 8.235 0.793 ( -5.746 5.461 2.229) 8.235 1.259 ( 8.585 -0.490 -5.234) 10.067 1.259 ( 8.585 -0.490 5.234) 10.067 1.488 ( -0.325 -2.159 -3.521) 4.142 1.488 ( -0.325 -2.159 3.521) 4.142 1.589 ( 6.375 0.318 -6.977) 9.457 1.589 ( 6.375 0.318 6.977) 9.457 1.823 ( 2.874 4.370 -1.535) 5.451 1.823 ( 2.874 4.370 1.535) 5.451 2.234 ( 4.767 1.000 -4.488) 6.623 2.234 ( 4.767 1.000 4.488) 6.623 2.319 ( 3.806 -0.321 -6.468) 7.512 2.319 ( 3.806 -0.321 6.468) 7.512 2.527 ( 2.037 -3.330 -5.851) 7.033 2.527 ( 2.037 -3.330 5.851) 7.033 2.686 ( 0.478 0.027 -3.585) 3.616 2.686 ( 0.478 0.027 3.585) 3.616 2.804 ( 1.998 -0.228 -5.072) 5.456 2.804 ( 1.998 -0.228 5.072) 5.456 2.877 ( -0.235 1.663 -0.351) 1.716 2.877 ( -0.235 1.663 0.351) 1.716 3.237 ( -1.362 0.766 -8.077) 8.227 3.237 ( -1.362 0.766 8.077) 8.227 3.323 ( -3.106 2.476 -2.427) 4.655 3.323 ( -3.106 2.476 2.427) 4.655 3.416 ( 2.916 -0.783 -1.161) 3.235 3.416 ( 2.916 -0.783 1.161) 3.235 3.633 ( 5.480 -0.324 -2.165) 5.902 3.633 ( 5.480 -0.324 2.165) 5.902 3.764 ( 4.282 -0.401 -7.417) 8.574 3.764 ( 4.282 -0.401 7.417) 8.574 3.880 ( -5.079 -3.903 -0.678) 6.441 3.880 ( -5.079 -3.903 0.678) 6.441 3.999 ( -1.341 -2.162 -1.144) 2.789 3.999 ( -1.341 -2.162 1.144) 2.789 4.600 ( 0.826 1.894 -9.090) 9.322 4.600 ( 0.826 1.894 9.090) 9.322 4.798 ( -1.702 -2.050 -9.033) 9.418 4.798 ( -1.702 -2.050 9.033) 9.418 5.708 ( -1.442 1.310 -2.359) 3.060 5.708 ( -1.442 1.310 2.359) 3.060 5.826 ( -4.238 -1.295 -3.493) 5.642 5.826 ( -4.238 -1.295 3.493) 5.642 5.981 ( -1.536 1.100 -2.615) 3.226 5.981 ( -1.536 1.100 2.615) 3.226 6.120 ( -3.102 -1.306 -0.468) 3.398 6.120 ( -3.102 -1.306 0.468) 3.398 6.492 ( -5.016 0.748 -1.878) 5.408 6.492 ( -5.016 0.748 1.878) 5.408 6.563 ( -4.276 -0.448 -5.803) 7.222 6.563 ( -4.276 -0.448 5.803) 7.222 8.058 ( 5.981 2.141 -5.061) 8.122 8.058 ( 5.981 2.141 5.061) 8.122 8.323 ( 3.404 -4.662 -6.417) 8.631 8.323 ( 3.404 -4.662 6.417) 8.631 8.596 ( 2.140 3.208 -3.800) 5.414 8.596 ( 2.140 3.208 3.800) 5.414 8.764 ( 2.986 -1.511 -2.825) 4.380 8.764 ( 2.986 -1.511 2.825) 4.380 9.404 ( -0.438 2.676 -5.580) 6.204 9.404 ( -0.438 2.676 5.580) 6.204 9.692 ( -5.764 -4.594 -14.023) 15.842 9.692 ( -5.764 -4.594 14.023) 15.842 10.552 ( 2.293 4.781 -4.566) 6.997 10.552 ( 2.293 4.781 4.566) 6.997 10.698 ( -1.387 0.337 -2.423) 2.813 10.698 ( -1.387 0.337 2.423) 2.813 11.012 ( -4.721 3.134 -10.927) 12.309 11.012 ( -4.721 3.134 10.927) 12.309 11.343 ( -2.197 -2.917 -6.092) 7.103 11.343 ( -2.197 -2.917 6.092) 7.103 11.804 ( -3.996 6.014 -15.488) 17.088 11.804 ( -3.996 6.014 15.488) 17.088 12.258 ( 0.384 -2.022 -5.184) 5.577 12.258 ( 0.384 -2.022 5.184) 5.577 12.767 ( -5.145 0.399 -3.697) 6.349 12.767 ( -5.145 0.399 3.697) 6.349 13.193 ( -14.609 -8.247 -3.729) 17.186 13.193 ( -14.609 -8.247 3.729) 17.186 15.306 ( 2.690 3.838 -1.000) 4.793 15.306 ( 2.690 3.838 1.000) 4.793 15.597 ( -1.504 -2.824 -4.841) 5.803 15.597 ( -1.504 -2.824 4.841) 5.803 ======================= Grid point 140 (47/54) ======================= q-point: ( 0.36 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -5.537 5.191 -3.155) 8.219 0.678 ( -5.537 5.191 3.155) 8.219 1.364 ( 1.107 -6.554 -1.196) 6.753 1.364 ( 1.107 -6.554 1.196) 6.753 1.522 ( 5.121 0.727 -1.494) 5.384 1.522 ( 5.121 0.727 1.494) 5.384 1.713 ( 5.840 3.187 -4.979) 8.310 1.713 ( 5.840 3.187 4.979) 8.310 1.878 ( 2.184 5.236 -3.631) 6.735 1.878 ( 2.184 5.236 3.631) 6.735 2.271 ( 1.241 2.601 -1.918) 3.462 2.271 ( 1.241 2.601 1.918) 3.462 2.368 ( 0.046 -2.130 -2.376) 3.191 2.368 ( 0.046 -2.130 2.376) 3.191 2.566 ( 1.437 -4.862 -2.670) 5.730 2.566 ( 1.437 -4.862 2.670) 5.730 2.691 ( 1.162 0.537 -5.912) 6.049 2.691 ( 1.162 0.537 5.912) 6.049 2.837 ( -0.115 -1.405 -4.879) 5.079 2.837 ( -0.115 -1.405 4.879) 5.079 2.916 ( 4.158 4.367 -6.919) 9.178 2.916 ( 4.158 4.367 6.919) 9.178 3.177 ( -4.309 2.008 -6.334) 7.919 3.177 ( -4.309 2.008 6.334) 7.919 3.287 ( 0.134 3.127 -1.223) 3.360 3.287 ( 0.134 3.127 1.223) 3.360 3.458 ( -0.153 -1.423 -1.240) 1.894 3.458 ( -0.153 -1.423 1.240) 1.894 3.687 ( 1.300 -5.325 -5.141) 7.515 3.687 ( 1.300 -5.325 5.141) 7.515 3.787 ( 0.076 -5.087 -1.385) 5.272 3.787 ( 0.076 -5.087 1.385) 5.272 3.923 ( 5.476 1.969 -0.405) 5.833 3.923 ( 5.476 1.969 0.405) 5.833 3.998 ( 1.619 0.838 -1.089) 2.123 3.998 ( 1.619 0.838 1.089) 2.123 4.606 ( -0.155 1.213 -6.692) 6.803 4.606 ( -0.155 1.213 6.692) 6.803 4.751 ( -2.853 -1.615 -10.578) 11.075 4.751 ( -2.853 -1.615 10.578) 11.075 5.680 ( -1.408 0.686 -4.398) 4.669 5.680 ( -1.408 0.686 4.398) 4.669 5.748 ( -3.541 -0.654 -3.185) 4.808 5.748 ( -3.541 -0.654 3.185) 4.808 5.951 ( -1.321 1.551 -0.278) 2.056 5.951 ( -1.321 1.551 0.278) 2.056 6.075 ( -1.546 -1.375 -1.348) 2.469 6.075 ( -1.546 -1.375 1.348) 2.469 6.402 ( -3.977 1.147 -2.294) 4.732 6.402 ( -3.977 1.147 2.294) 4.732 6.485 ( -3.535 -0.248 -6.399) 7.315 6.485 ( -3.535 -0.248 6.399) 7.315 8.161 ( 4.637 1.166 -6.237) 7.859 8.161 ( 4.637 1.166 6.237) 7.859 8.350 ( -0.312 -3.306 -8.718) 9.329 8.350 ( -0.312 -3.306 8.718) 9.329 8.631 ( 1.745 2.515 -3.126) 4.376 8.631 ( 1.745 2.515 3.126) 4.376 8.823 ( 2.592 -2.651 -5.328) 6.492 8.823 ( 2.592 -2.651 5.328) 6.492 9.399 ( -0.034 2.002 -5.288) 5.655 9.399 ( -0.034 2.002 5.288) 5.655 9.588 ( -4.687 -2.516 -16.587) 17.420 9.588 ( -4.687 -2.516 16.587) 17.420 10.596 ( 2.078 3.402 -5.313) 6.643 10.596 ( 2.078 3.402 5.313) 6.643 10.677 ( -0.716 1.172 -1.699) 2.185 10.677 ( -0.716 1.172 1.699) 2.185 10.955 ( -1.620 3.382 -10.275) 10.938 10.955 ( -1.620 3.382 10.275) 10.938 11.312 ( -1.059 -3.183 -6.138) 6.995 11.312 ( -1.059 -3.183 6.138) 6.995 11.750 ( -1.701 4.713 -15.578) 16.364 11.750 ( -1.701 4.713 15.578) 16.364 12.263 ( 0.059 -4.814 -6.297) 7.927 12.263 ( 0.059 -4.814 6.297) 7.927 12.663 ( -4.661 1.287 -2.877) 5.627 12.663 ( -4.661 1.287 2.877) 5.627 12.929 ( -12.091 -3.927 -7.021) 14.523 12.929 ( -12.091 -3.927 7.021) 14.523 15.364 ( 3.064 2.244 -1.129) 3.962 15.364 ( 3.064 2.244 1.129) 3.962 15.565 ( -1.687 -2.166 -4.194) 5.013 15.565 ( -1.687 -2.166 4.194) 5.013 ======================= Grid point 142 (48/54) ======================= q-point: ( 0.45 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -2.285 4.882 -6.333) 8.316 0.599 ( -2.285 4.882 6.333) 8.316 1.358 ( -0.554 -8.955 -2.914) 9.434 1.358 ( -0.554 -8.955 2.914) 9.434 1.616 ( 2.937 2.214 -4.208) 5.589 1.616 ( 2.937 2.214 4.208) 5.589 1.807 ( 3.681 8.905 -3.130) 10.131 1.807 ( 3.681 8.905 3.130) 10.131 1.895 ( -0.406 0.825 -5.994) 6.064 1.895 ( -0.406 0.825 5.994) 6.064 2.291 ( 0.282 -0.306 -2.212) 2.251 2.291 ( 0.282 -0.306 2.212) 2.251 2.351 ( -0.530 0.093 -3.087) 3.134 2.351 ( -0.530 0.093 3.087) 3.134 2.570 ( -0.460 -4.753 -5.558) 7.328 2.570 ( -0.460 -4.753 5.558) 7.328 2.736 ( 2.345 0.447 -4.061) 4.710 2.736 ( 2.345 0.447 4.061) 4.710 2.822 ( -0.884 -0.324 -2.691) 2.851 2.822 ( -0.884 -0.324 2.691) 2.851 2.985 ( 2.449 4.380 -3.220) 5.962 2.985 ( 2.449 4.380 3.220) 5.962 3.098 ( -3.070 3.639 -7.688) 9.043 3.098 ( -3.070 3.639 7.688) 9.043 3.320 ( 2.508 0.895 -3.151) 4.125 3.320 ( 2.508 0.895 3.151) 4.125 3.412 ( -3.186 -0.424 -1.045) 3.379 3.412 ( -3.186 -0.424 1.045) 3.379 3.732 ( 2.805 -6.167 -4.217) 7.981 3.732 ( 2.805 -6.167 4.217) 7.981 3.778 ( -1.339 -6.079 -1.894) 6.506 3.778 ( -1.339 -6.079 1.894) 6.506 3.978 ( 1.011 3.296 -6.057) 6.969 3.978 ( 1.011 3.296 6.057) 6.969 4.061 ( 2.749 0.820 -4.110) 5.012 4.061 ( 2.749 0.820 4.110) 5.012 4.601 ( -0.182 0.714 -4.742) 4.799 4.601 ( -0.182 0.714 4.742) 4.799 4.702 ( -1.678 -1.037 -12.661) 12.814 4.702 ( -1.678 -1.037 12.661) 12.814 5.657 ( -0.794 0.419 -6.698) 6.758 5.657 ( -0.794 0.419 6.698) 6.758 5.700 ( -1.310 -0.456 -2.227) 2.624 5.700 ( -1.310 -0.456 2.227) 2.624 5.936 ( -0.284 1.719 -1.867) 2.553 5.936 ( -0.284 1.719 1.867) 2.553 6.056 ( -0.492 -1.465 -2.407) 2.860 6.056 ( -0.492 -1.465 2.407) 2.860 6.348 ( -1.504 1.431 -2.440) 3.203 6.348 ( -1.504 1.431 2.440) 3.203 6.435 ( -1.409 0.006 -6.682) 6.829 6.435 ( -1.409 0.006 6.682) 6.829 8.234 ( 2.554 -0.012 -5.974) 6.497 8.234 ( 2.554 -0.012 5.974) 6.497 8.328 ( -1.433 -1.786 -10.331) 10.582 8.328 ( -1.433 -1.786 10.331) 10.582 8.658 ( 0.843 1.910 -3.017) 3.669 8.658 ( 0.843 1.910 3.017) 3.669 8.857 ( 0.839 -3.236 -6.208) 7.051 8.857 ( 0.839 -3.236 6.208) 7.051 9.403 ( 0.254 1.454 -5.306) 5.507 9.403 ( 0.254 1.454 5.306) 5.507 9.521 ( -1.969 -1.367 -17.768) 17.929 9.521 ( -1.969 -1.367 17.768) 17.929 10.626 ( 0.855 2.498 -6.696) 7.198 10.626 ( 0.855 2.498 6.696) 7.198 10.669 ( -0.199 1.791 -1.414) 2.290 10.669 ( -0.199 1.791 1.414) 2.290 10.938 ( -0.355 3.428 -9.663) 10.259 10.938 ( -0.355 3.428 9.663) 10.259 11.299 ( -0.292 -3.144 -6.154) 6.917 11.299 ( -0.292 -3.144 6.154) 6.917 11.732 ( -0.346 3.775 -15.908) 16.353 11.732 ( -0.346 3.775 15.908) 16.353 12.260 ( -0.223 -6.918 -6.391) 9.421 12.260 ( -0.223 -6.918 6.391) 9.421 12.614 ( -0.249 1.453 -3.666) 3.951 12.614 ( -0.249 1.453 3.666) 3.951 12.745 ( -6.128 -0.826 -6.650) 9.081 12.745 ( -6.128 -0.826 6.650) 9.081 15.414 ( 1.713 1.173 -0.901) 2.263 15.414 ( 1.713 1.173 0.901) 2.263 15.535 ( -1.120 -1.434 -4.042) 4.433 15.535 ( -1.120 -1.434 4.042) 4.433 ======================= Grid point 154 (49/54) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 5.590 -9.860) 11.334 1.030 ( 0.000 5.590 9.860) 11.334 1.039 ( 0.000 5.817 -12.263) 13.573 1.039 ( 0.000 5.817 12.263) 13.573 1.266 ( 0.000 -4.596 -11.657) 12.530 1.266 ( 0.000 -4.596 11.657) 12.530 1.301 ( 0.000 -6.373 -14.688) 16.011 1.301 ( 0.000 -6.373 14.688) 16.011 1.737 ( 0.000 2.875 -3.842) 4.799 1.737 ( 0.000 2.875 3.842) 4.799 1.796 ( 0.000 -2.446 -2.642) 3.601 1.796 ( 0.000 -2.446 2.642) 3.601 2.299 ( 0.000 11.976 -5.948) 13.372 2.299 ( 0.000 11.976 5.948) 13.372 2.502 ( 0.000 -6.175 -6.411) 8.901 2.502 ( 0.000 -6.175 6.411) 8.901 2.666 ( 0.000 -0.203 -1.530) 1.544 2.666 ( 0.000 -0.203 1.530) 1.544 2.736 ( 0.000 -6.166 -6.310) 8.822 2.736 ( 0.000 -6.166 6.310) 8.822 3.032 ( 0.000 3.140 -12.636) 13.020 3.032 ( 0.000 3.140 12.636) 13.020 3.060 ( 0.000 0.385 -9.955) 9.962 3.060 ( 0.000 0.385 9.955) 9.962 3.401 ( 0.000 5.857 -9.727) 11.354 3.401 ( 0.000 5.857 9.727) 11.354 3.471 ( 0.000 -0.651 -8.243) 8.269 3.471 ( 0.000 -0.651 8.243) 8.269 3.575 ( 0.000 2.146 -0.554) 2.216 3.575 ( 0.000 2.146 0.554) 2.216 3.625 ( 0.000 -2.049 -1.470) 2.522 3.625 ( 0.000 -2.049 1.470) 2.522 3.982 ( 0.000 0.780 -10.620) 10.649 3.982 ( 0.000 0.780 10.620) 10.649 4.114 ( 0.000 -10.496 -8.097) 13.257 4.114 ( 0.000 -10.496 8.097) 13.257 4.644 ( 0.000 4.412 -7.764) 8.930 4.644 ( 0.000 4.412 7.764) 8.930 4.726 ( 0.000 -2.839 -6.802) 7.370 4.726 ( 0.000 -2.839 6.802) 7.370 5.827 ( 0.000 3.685 -1.389) 3.938 5.827 ( 0.000 3.685 1.389) 3.938 5.921 ( 0.000 -4.920 -3.121) 5.826 5.921 ( 0.000 -4.920 3.121) 5.826 6.044 ( 0.000 4.513 -4.466) 6.349 6.044 ( 0.000 4.513 4.466) 6.349 6.165 ( 0.000 -6.455 -3.922) 7.553 6.165 ( 0.000 -6.455 3.922) 7.553 6.695 ( 0.000 0.973 -1.961) 2.190 6.695 ( 0.000 0.973 1.961) 2.190 6.709 ( 0.000 -0.337 -2.924) 2.943 6.709 ( 0.000 -0.337 2.924) 2.943 7.862 ( 0.000 1.682 -3.002) 3.442 7.862 ( 0.000 1.682 3.002) 3.442 7.901 ( 0.000 -1.732 -2.844) 3.330 7.901 ( 0.000 -1.732 2.844) 3.330 8.579 ( 0.000 6.559 -1.275) 6.681 8.579 ( 0.000 6.559 1.275) 6.681 8.693 ( 0.000 -4.032 -1.038) 4.163 8.693 ( 0.000 -4.032 1.038) 4.163 9.533 ( 0.000 6.065 -8.881) 10.755 9.533 ( 0.000 6.065 8.881) 10.755 9.686 ( 0.000 -8.179 -9.050) 12.199 9.686 ( 0.000 -8.179 9.050) 12.199 10.630 ( 0.000 5.535 -2.822) 6.213 10.630 ( 0.000 5.535 2.822) 6.213 10.718 ( 0.000 -2.674 -2.513) 3.670 10.718 ( 0.000 -2.674 2.513) 3.670 11.409 ( 0.000 2.521 -12.487) 12.739 11.409 ( 0.000 2.521 12.487) 12.739 11.484 ( 0.000 -4.081 -12.143) 12.810 11.484 ( 0.000 -4.081 12.143) 12.810 12.244 ( 0.000 4.236 -3.811) 5.698 12.244 ( 0.000 4.236 3.811) 5.698 12.339 ( 0.000 -4.626 -2.989) 5.507 12.339 ( 0.000 -4.626 2.989) 5.507 12.804 ( 0.000 16.295 -13.221) 20.984 12.804 ( 0.000 16.295 13.221) 20.984 13.235 ( 0.000 -23.467 -19.298) 30.383 13.235 ( 0.000 -23.467 19.298) 30.383 15.464 ( 0.000 6.151 -5.785) 8.444 15.464 ( 0.000 6.151 5.785) 8.444 15.563 ( 0.000 -3.301 -4.646) 5.699 15.563 ( 0.000 -3.301 4.646) 5.699 ======================= Grid point 156 (50/54) ======================= q-point: ( 0.09 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.009 6.046 -5.551) 8.208 0.985 ( -0.009 6.046 5.551) 8.208 1.079 ( 0.806 0.055 -7.334) 7.378 1.079 ( 0.806 0.055 7.334) 7.378 1.320 ( 6.203 0.126 -8.800) 10.767 1.320 ( 6.203 0.126 8.800) 10.767 1.408 ( 6.102 -4.665 -9.669) 12.349 1.408 ( 6.102 -4.665 9.669) 12.349 1.757 ( 2.627 2.463 -1.581) 3.934 1.757 ( 2.627 2.463 1.581) 3.934 1.826 ( 3.835 -3.163 -1.525) 5.200 1.826 ( 3.835 -3.163 1.525) 5.200 2.318 ( 1.955 10.606 -5.704) 12.201 2.318 ( 1.955 10.606 5.704) 12.201 2.493 ( -0.989 -5.294 -5.942) 8.020 2.493 ( -0.989 -5.294 5.942) 8.020 2.660 ( -0.164 1.275 -1.621) 2.069 2.660 ( -0.164 1.275 1.621) 2.069 2.758 ( 1.832 -6.653 -6.238) 9.303 2.758 ( 1.832 -6.653 6.238) 9.303 2.976 ( -3.625 4.710 -8.989) 10.776 2.976 ( -3.625 4.710 8.989) 10.776 3.064 ( -0.418 -3.190 -6.882) 7.597 3.064 ( -0.418 -3.190 6.882) 7.597 3.433 ( 2.241 5.154 -9.529) 11.062 3.433 ( 2.241 5.154 9.529) 11.062 3.481 ( 0.778 0.050 -5.204) 5.262 3.481 ( 0.778 0.050 5.204) 5.262 3.572 ( 0.312 4.336 -1.975) 4.775 3.572 ( 0.312 4.336 1.975) 4.775 3.651 ( 2.259 -1.983 -0.943) 3.151 3.651 ( 2.259 -1.983 0.943) 3.151 3.944 ( -3.333 -0.848 -9.352) 9.964 3.944 ( -3.333 -0.848 9.352) 9.964 4.047 ( -6.204 -9.392 -6.345) 12.922 4.047 ( -6.204 -9.392 6.345) 12.922 4.647 ( 0.352 4.654 -8.524) 9.719 4.647 ( 0.352 4.654 8.524) 9.719 4.737 ( 0.842 -3.442 -7.590) 8.377 4.737 ( 0.842 -3.442 7.590) 8.377 5.815 ( -1.170 3.433 -1.477) 3.916 5.815 ( -1.170 3.433 1.477) 3.916 5.899 ( -2.004 -4.191 -3.013) 5.537 5.899 ( -2.004 -4.191 3.013) 5.537 6.048 ( 0.120 3.958 -4.416) 5.931 6.048 ( 0.120 3.958 4.416) 5.931 6.155 ( -1.072 -5.603 -3.842) 6.878 6.155 ( -1.072 -5.603 3.842) 6.878 6.671 ( -2.425 1.056 -2.221) 3.453 6.671 ( -2.425 1.056 2.221) 3.453 6.688 ( -2.161 -0.525 -3.237) 3.927 6.688 ( -2.161 -0.525 3.237) 3.927 7.902 ( 4.198 2.873 -2.174) 5.532 7.902 ( 4.198 2.873 2.174) 5.532 7.970 ( 6.199 -3.374 -1.669) 7.253 7.970 ( 6.199 -3.374 1.669) 7.253 8.593 ( 1.410 5.791 -0.263) 5.966 8.593 ( 1.410 5.791 0.263) 5.966 8.693 ( 0.026 -3.490 -0.531) 3.530 8.693 ( 0.026 -3.490 0.531) 3.530 9.527 ( -0.658 5.909 -9.027) 10.809 9.527 ( -0.658 5.909 9.027) 10.809 9.675 ( -1.170 -7.893 -9.574) 12.463 9.675 ( -1.170 -7.893 9.574) 12.463 10.631 ( 0.103 5.279 -2.445) 5.819 10.631 ( 0.103 5.279 2.445) 5.819 10.714 ( -0.407 -2.508 -2.378) 3.480 10.714 ( -0.407 -2.508 2.378) 3.480 11.350 ( -5.814 2.604 -11.327) 12.996 11.350 ( -5.814 2.604 11.327) 12.996 11.425 ( -5.208 -3.869 -11.150) 12.900 11.425 ( -5.208 -3.869 11.150) 12.900 12.210 ( -4.462 5.064 -7.296) 9.939 12.210 ( -4.462 5.064 7.296) 9.939 12.277 ( -3.630 -0.983 -5.272) 6.475 12.277 ( -3.630 -0.983 5.272) 6.475 12.858 ( 3.500 10.939 -7.103) 13.504 12.858 ( 3.500 10.939 7.103) 13.504 13.213 ( -2.469 -20.952 -14.658) 25.689 13.213 ( -2.469 -20.952 14.658) 25.689 15.441 ( -1.898 6.612 -4.453) 8.194 15.441 ( -1.898 6.612 4.453) 8.194 15.555 ( -0.840 -4.155 -4.627) 6.275 15.555 ( -0.840 -4.155 4.627) 6.275 ======================= Grid point 158 (51/54) ======================= q-point: ( 0.18 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.517 6.811 -1.776) 7.058 1.007 ( 0.517 6.811 1.776) 7.058 1.120 ( 3.718 -1.929 -5.868) 7.210 1.120 ( 3.718 -1.929 5.868) 7.210 1.408 ( 2.438 0.165 -2.439) 3.453 1.408 ( 2.438 0.165 2.439) 3.453 1.479 ( 1.957 -3.765 -1.525) 4.509 1.479 ( 1.957 -3.765 1.525) 4.509 1.852 ( 7.080 5.558 -0.532) 9.017 1.852 ( 7.080 5.558 0.532) 9.017 1.974 ( 10.536 -4.981 -0.749) 11.678 1.974 ( 10.536 -4.981 0.749) 11.678 2.361 ( 1.773 6.167 -3.543) 7.330 2.361 ( 1.773 6.167 3.543) 7.330 2.467 ( -1.431 -3.611 -3.116) 4.980 2.467 ( -1.431 -3.611 3.116) 4.980 2.675 ( 1.786 3.274 -4.355) 5.734 2.675 ( 1.786 3.274 4.355) 5.734 2.781 ( 0.033 -4.774 -8.561) 9.802 2.781 ( 0.033 -4.774 8.561) 9.802 2.931 ( -0.465 5.170 -6.699) 8.475 2.931 ( -0.465 5.170 6.699) 8.475 3.073 ( 2.096 -7.314 -7.020) 10.352 3.073 ( 2.096 -7.314 7.020) 10.352 3.445 ( -0.932 4.056 -3.820) 5.649 3.445 ( -0.932 4.056 3.820) 5.649 3.487 ( -0.486 1.211 -1.221) 1.787 3.487 ( -0.486 1.211 1.221) 1.787 3.602 ( 1.881 5.498 -3.877) 6.986 3.602 ( 1.881 5.498 3.877) 6.986 3.696 ( 2.054 -1.499 -4.815) 5.445 3.696 ( 2.054 -1.499 4.815) 5.445 3.875 ( -3.961 -3.078 -6.044) 7.855 3.875 ( -3.961 -3.078 6.044) 7.855 3.929 ( -3.434 -6.683 -3.965) 8.496 3.929 ( -3.434 -6.683 3.965) 8.496 4.656 ( 0.480 4.350 -9.353) 10.326 4.656 ( 0.480 4.350 9.353) 10.326 4.747 ( 0.081 -3.828 -8.529) 9.349 4.747 ( 0.081 -3.828 8.529) 9.349 5.785 ( -1.864 2.839 -1.811) 3.850 5.785 ( -1.864 2.839 1.811) 3.850 5.851 ( -2.895 -3.057 -2.883) 5.103 5.851 ( -2.895 -3.057 2.883) 5.103 6.042 ( -0.797 3.103 -4.193) 5.277 6.042 ( -0.797 3.103 4.193) 5.277 6.123 ( -2.214 -3.951 -3.371) 5.646 6.123 ( -2.214 -3.951 3.371) 5.646 6.605 ( -4.192 1.187 -2.784) 5.170 6.605 ( -4.192 1.187 2.784) 5.170 6.628 ( -3.900 -0.849 -3.997) 5.649 6.628 ( -3.900 -0.849 3.997) 5.649 8.009 ( 6.188 3.911 -3.166) 7.975 8.009 ( 6.188 3.911 3.166) 7.975 8.105 ( 6.899 -4.958 -2.992) 9.007 8.105 ( 6.899 -4.958 2.992) 9.007 8.629 ( 2.089 4.021 -1.813) 4.881 8.629 ( 2.089 4.021 1.813) 4.881 8.698 ( 0.629 -2.391 -1.202) 2.748 8.698 ( 0.629 -2.391 1.202) 2.748 9.508 ( -1.239 5.336 -9.324) 10.814 9.508 ( -1.239 5.336 9.324) 10.814 9.640 ( -2.475 -6.873 -10.986) 13.193 9.640 ( -2.475 -6.873 10.986) 13.193 10.636 ( 0.386 4.529 -1.715) 4.858 10.636 ( 0.386 4.529 1.715) 4.858 10.704 ( -0.628 -1.928 -1.875) 2.762 10.704 ( -0.628 -1.928 1.875) 2.762 11.216 ( -6.846 4.341 -10.183) 13.016 11.216 ( -6.846 4.341 10.183) 13.016 11.321 ( -4.948 -4.797 -9.065) 11.387 11.321 ( -4.948 -4.797 9.065) 11.387 12.093 ( -6.345 8.538 -13.093) 16.870 12.093 ( -6.345 8.538 13.093) 16.870 12.224 ( -2.640 -3.255 -7.996) 9.028 12.224 ( -2.640 -3.255 7.996) 9.028 12.884 ( -1.225 6.687 -1.507) 6.963 12.884 ( -1.225 6.687 1.507) 6.963 13.131 ( -6.120 -15.366 -5.481) 17.425 13.131 ( -6.120 -15.366 5.481) 17.425 15.410 ( -0.953 6.458 -2.482) 6.984 15.410 ( -0.953 6.458 2.482) 6.984 15.534 ( -1.183 -4.982 -4.024) 6.513 15.534 ( -1.183 -4.982 4.024) 6.513 ======================= Grid point 160 (52/54) ======================= q-point: ( 0.27 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.351 9.998 -2.075) 11.099 0.966 ( -4.351 9.998 2.075) 11.099 1.179 ( 0.596 -8.249 -2.259) 8.574 1.179 ( 0.596 -8.249 2.259) 8.574 1.457 ( 4.384 2.520 -3.135) 5.950 1.457 ( 4.384 2.520 3.135) 5.950 1.549 ( 5.888 -4.406 -5.260) 9.041 1.549 ( 5.888 -4.406 5.260) 9.041 1.996 ( 6.752 9.685 -2.470) 12.062 1.996 ( 6.752 9.685 2.470) 12.062 2.173 ( 8.841 -6.132 -1.744) 10.900 2.173 ( 8.841 -6.132 1.744) 10.900 2.368 ( -0.708 3.694 -2.111) 4.313 2.368 ( -0.708 3.694 2.111) 4.313 2.447 ( -0.582 -3.683 -4.994) 6.232 2.447 ( -0.582 -3.683 4.994) 6.232 2.710 ( 0.975 2.297 -4.320) 4.989 2.710 ( 0.975 2.297 4.320) 4.989 2.772 ( -0.182 -2.873 -8.573) 9.044 2.772 ( -0.182 -2.873 8.573) 9.044 2.961 ( 3.371 6.672 -7.730) 10.754 2.961 ( 3.371 6.672 7.730) 10.754 3.136 ( 3.423 -8.413 -8.246) 12.267 3.136 ( 3.423 -8.413 8.246) 12.267 3.410 ( -2.464 5.452 -1.650) 6.206 3.410 ( -2.464 5.452 1.650) 6.206 3.469 ( -1.146 2.192 -4.946) 5.531 3.469 ( -1.146 2.192 4.946) 5.531 3.611 ( -0.661 -0.513 -1.738) 1.929 3.611 ( -0.661 -0.513 1.738) 1.929 3.688 ( -2.920 -5.925 -1.570) 6.790 3.688 ( -2.920 -5.925 1.570) 6.790 3.863 ( 4.228 2.530 -4.497) 6.671 3.863 ( 4.228 2.530 4.497) 6.671 3.936 ( 2.612 -3.541 -3.462) 5.598 3.936 ( 2.612 -3.541 3.462) 5.598 4.659 ( -0.274 3.438 -9.178) 9.805 4.659 ( -0.274 3.438 9.178) 9.805 4.736 ( -1.224 -3.462 -9.138) 9.848 4.736 ( -1.224 -3.462 9.138) 9.848 5.745 ( -2.237 2.069 -2.555) 3.977 5.745 ( -2.237 2.069 2.555) 3.977 5.790 ( -3.273 -1.987 -3.128) 4.944 5.790 ( -3.273 -1.987 3.128) 4.944 6.018 ( -1.489 2.352 -2.688) 3.870 6.018 ( -1.489 2.352 2.688) 3.870 6.075 ( -2.435 -2.643 -1.783) 4.012 6.075 ( -2.435 -2.643 1.783) 4.012 6.517 ( -4.623 1.441 -3.468) 5.956 6.517 ( -4.623 1.441 3.468) 5.956 6.546 ( -4.318 -1.101 -4.807) 6.555 6.546 ( -4.318 -1.101 4.807) 6.555 8.121 ( 5.105 3.732 -5.309) 8.257 8.121 ( 5.105 3.732 5.309) 8.257 8.216 ( 4.314 -4.942 -5.678) 8.676 8.216 ( 4.314 -4.942 5.678) 8.676 8.665 ( 1.581 3.044 -2.917) 4.503 8.665 ( 1.581 3.044 2.917) 4.503 8.723 ( 1.853 -2.297 -3.086) 4.270 8.723 ( 1.853 -2.297 3.086) 4.270 9.481 ( -1.489 4.270 -9.399) 10.430 9.481 ( -1.489 4.270 9.399) 10.430 9.583 ( -3.242 -5.124 -12.508) 13.900 9.583 ( -3.242 -5.124 12.508) 13.900 10.647 ( 0.843 3.461 -2.378) 4.283 10.647 ( 0.843 3.461 2.378) 4.283 10.694 ( -0.310 -0.964 -1.372) 1.706 10.694 ( -0.310 -0.964 1.372) 1.706 11.111 ( -3.878 5.828 -10.664) 12.756 11.111 ( -3.878 5.828 10.664) 12.756 11.244 ( -2.945 -5.929 -8.974) 11.151 11.244 ( -2.945 -5.929 8.974) 11.151 11.983 ( -4.950 9.589 -14.411) 18.004 11.983 ( -4.950 9.589 14.411) 18.004 12.167 ( -3.121 -6.717 -10.467) 12.822 12.167 ( -3.121 -6.717 10.467) 12.822 12.819 ( -4.964 5.062 -1.919) 7.345 12.819 ( -4.964 5.062 1.919) 7.345 12.985 ( -8.491 -9.776 -2.817) 13.252 12.985 ( -8.491 -9.776 2.817) 13.252 15.407 ( 0.623 5.155 -1.340) 5.363 15.407 ( 0.623 5.155 1.340) 5.363 15.515 ( -0.768 -4.598 -3.209) 5.660 15.515 ( -0.768 -4.598 3.209) 5.660 ======================= Grid point 162 (53/54) ======================= q-point: ( 0.36 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -4.915 11.913 -4.185) 13.549 0.869 ( -4.915 11.913 4.185) 13.549 1.145 ( -2.837 -12.646 -3.108) 13.328 1.145 ( -2.837 -12.646 3.108) 13.328 1.583 ( 7.294 4.371 -4.182) 9.476 1.583 ( 7.294 4.371 4.182) 9.476 1.682 ( 7.067 -4.187 -7.285) 10.980 1.682 ( 7.067 -4.187 7.285) 10.980 2.087 ( 2.452 11.105 -3.674) 11.952 2.087 ( 2.452 11.105 3.674) 11.952 2.277 ( 1.330 -5.369 -2.936) 6.262 2.277 ( 1.330 -5.369 2.936) 6.262 2.359 ( 0.176 3.231 -0.407) 3.261 2.359 ( 0.176 3.231 0.407) 3.261 2.448 ( 0.588 -5.068 -0.349) 5.114 2.448 ( 0.588 -5.068 0.349) 5.114 2.722 ( 1.170 2.205 -1.851) 3.108 2.722 ( 1.170 2.205 1.851) 3.108 2.781 ( 0.865 -3.126 -2.773) 4.268 2.781 ( 0.865 -3.126 2.773) 4.268 3.038 ( 3.896 6.769 -6.557) 10.198 3.038 ( 3.896 6.769 6.557) 10.198 3.176 ( 0.400 -4.275 -7.166) 8.354 3.176 ( 0.400 -4.275 7.166) 8.354 3.362 ( -2.023 4.507 -1.439) 5.146 3.362 ( -2.023 4.507 1.439) 5.146 3.438 ( -2.373 -1.120 -1.710) 3.132 3.438 ( -2.373 -1.120 1.710) 3.132 3.597 ( 0.282 -1.387 -2.347) 2.740 3.597 ( 0.282 -1.387 2.347) 2.740 3.659 ( -0.260 -5.746 -0.575) 5.780 3.659 ( -0.260 -5.746 0.575) 5.780 3.968 ( 5.205 1.958 -1.282) 5.707 3.968 ( 5.205 1.958 1.282) 5.707 3.999 ( 3.609 -0.788 -0.672) 3.754 3.999 ( 3.609 -0.788 0.672) 3.754 4.645 ( -1.034 2.427 -8.447) 8.849 4.645 ( -1.034 2.427 8.447) 8.849 4.703 ( -2.043 -2.689 -9.818) 10.383 4.703 ( -2.043 -2.689 9.818) 10.383 5.702 ( -2.139 1.259 -3.852) 4.583 5.702 ( -2.139 1.259 3.852) 4.583 5.729 ( -2.905 -1.155 -3.508) 4.698 5.729 ( -2.905 -1.155 3.508) 4.698 5.991 ( -1.149 2.064 -0.612) 2.441 5.991 ( -1.149 2.064 0.612) 2.441 6.037 ( -1.462 -2.076 -1.189) 2.804 6.037 ( -1.462 -2.076 1.189) 2.804 6.436 ( -3.542 1.800 -4.001) 5.638 6.436 ( -3.542 1.800 4.001) 5.638 6.470 ( -3.340 -1.182 -5.325) 6.396 6.470 ( -3.340 -1.182 5.325) 6.396 8.201 ( 3.105 2.551 -6.854) 7.945 8.201 ( 3.105 2.551 6.854) 7.945 8.270 ( 1.454 -3.771 -7.830) 8.811 8.270 ( 1.454 -3.771 7.830) 8.811 8.693 ( 1.281 3.049 -3.801) 5.039 8.693 ( 1.281 3.049 3.801) 5.039 8.759 ( 1.633 -3.109 -4.733) 5.894 8.759 ( 1.633 -3.109 4.733) 5.894 9.454 ( -1.119 2.976 -9.072) 9.613 9.454 ( -1.119 2.976 9.072) 9.613 9.523 ( -2.759 -3.265 -13.250) 13.923 9.523 ( -2.759 -3.265 13.250) 13.923 10.666 ( 0.930 2.481 -4.447) 5.176 10.666 ( 0.930 2.481 4.447) 5.176 10.693 ( 0.161 -0.064 -2.642) 2.647 10.693 ( 0.161 -0.064 2.642) 2.647 11.062 ( -1.465 6.293 -10.523) 12.349 11.062 ( -1.465 6.293 10.523) 12.349 11.205 ( -1.209 -6.393 -9.073) 11.165 11.205 ( -1.209 -6.393 9.073) 11.165 11.905 ( -2.978 9.187 -13.945) 16.962 11.905 ( -2.978 9.187 13.945) 16.962 12.110 ( -2.626 -8.999 -10.925) 14.396 12.110 ( -2.626 -8.999 10.925) 14.396 12.719 ( -4.680 3.961 -3.163) 6.899 12.719 ( -4.680 3.961 3.163) 6.899 12.824 ( -7.606 -5.391 -5.175) 10.663 12.824 ( -7.606 -5.391 5.175) 10.663 15.428 ( 1.274 3.442 -0.965) 3.794 15.428 ( 1.274 3.442 0.965) 3.794 15.503 ( -0.469 -3.396 -2.662) 4.341 15.503 ( -0.469 -3.396 2.662) 4.341 ======================= Grid point 164 (54/54) ======================= q-point: ( 0.45 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.025 12.928 -6.309) 14.528 0.798 ( -2.025 12.928 6.309) 14.528 1.101 ( -1.299 -14.040 -3.610) 14.555 1.101 ( -1.299 -14.040 3.610) 14.555 1.694 ( 3.317 4.618 -6.295) 8.482 1.694 ( 3.317 4.618 6.295) 8.482 1.796 ( 3.827 -4.345 -7.502) 9.477 1.796 ( 3.827 -4.345 7.502) 9.477 2.100 ( -0.416 11.086 -4.130) 11.837 2.100 ( -0.416 11.086 4.130) 11.837 2.262 ( -1.244 -3.461 -4.283) 5.645 2.262 ( -1.244 -3.461 4.283) 5.645 2.370 ( 0.559 2.060 -1.321) 2.510 2.370 ( 0.559 2.060 1.321) 2.510 2.454 ( -0.022 -5.322 -5.908) 7.952 2.454 ( -0.022 -5.322 5.908) 7.952 2.757 ( 1.640 1.494 -2.116) 3.066 2.757 ( 1.640 1.494 2.116) 3.066 2.796 ( 0.423 -1.899 -2.973) 3.553 2.796 ( 0.423 -1.899 2.973) 3.553 3.095 ( 1.778 5.283 -2.067) 5.945 3.095 ( 1.778 5.283 2.067) 5.945 3.163 ( -1.084 0.485 -7.021) 7.121 3.163 ( -1.084 0.485 7.021) 7.121 3.344 ( 0.006 1.728 -1.407) 2.228 3.344 ( 0.006 1.728 1.407) 2.228 3.391 ( -1.777 -1.773 -1.660) 3.010 3.391 ( -1.777 -1.773 1.660) 3.010 3.623 ( 1.777 -2.589 -1.170) 3.350 3.623 ( 1.777 -2.589 1.170) 3.350 3.651 ( -0.898 -4.635 -0.798) 4.788 3.651 ( -0.898 -4.635 0.798) 4.788 4.035 ( 1.666 1.973 -6.033) 6.562 4.035 ( 1.666 1.973 6.033) 6.562 4.063 ( 2.174 -0.644 -5.204) 5.677 4.063 ( 2.174 -0.644 5.204) 5.677 4.627 ( -0.624 1.721 -8.144) 8.347 4.627 ( -0.624 1.721 8.144) 8.347 4.669 ( -1.125 -1.949 -10.705) 10.939 4.669 ( -1.125 -1.949 10.705) 10.939 5.670 ( -0.936 0.772 -5.093) 5.235 5.670 ( -0.936 0.772 5.093) 5.235 5.687 ( -1.219 -0.732 -3.370) 3.657 5.687 ( -1.219 -0.732 3.370) 3.657 5.978 ( -0.292 1.969 -3.339) 3.887 5.978 ( -0.292 1.969 3.339) 3.887 6.019 ( -0.438 -1.870 -3.502) 3.994 6.019 ( -0.438 -1.870 3.502) 3.994 6.387 ( -1.333 2.042 -4.251) 4.901 6.387 ( -1.333 2.042 4.251) 4.901 6.424 ( -1.275 -1.142 -5.552) 5.810 6.424 ( -1.275 -1.142 5.552) 5.810 8.243 ( 1.261 1.084 -7.224) 7.413 8.243 ( 1.261 1.084 7.224) 7.413 8.281 ( -0.036 -2.267 -9.097) 9.375 8.281 ( -0.036 -2.267 9.097) 9.375 8.712 ( 0.554 2.913 -3.961) 4.948 8.712 ( 0.554 2.913 3.961) 4.948 8.781 ( 0.569 -3.496 -5.128) 6.232 8.781 ( 0.569 -3.496 5.128) 6.232 9.440 ( -0.324 1.947 -8.884) 9.101 9.440 ( -0.324 1.947 8.884) 9.101 9.483 ( -1.147 -1.971 -13.530) 13.720 9.483 ( -1.147 -1.971 13.530) 13.720 10.679 ( 0.383 1.950 -6.550) 6.845 10.679 ( 0.383 1.950 6.550) 6.845 10.697 ( 0.161 0.400 -4.622) 4.642 10.697 ( 0.161 0.400 4.622) 4.642 11.046 ( -0.321 6.393 -10.374) 12.190 11.046 ( -0.321 6.393 10.374) 12.190 11.191 ( -0.277 -6.498 -9.208) 11.273 11.191 ( -0.277 -6.498 9.208) 11.273 11.868 ( -0.946 8.543 -13.331) 15.862 11.868 ( -0.946 8.543 13.331) 15.862 12.073 ( -1.052 -9.830 -10.190) 14.198 12.073 ( -1.052 -9.830 10.190) 14.198 12.658 ( -1.423 2.467 -4.198) 5.073 12.658 ( -1.423 2.467 4.198) 5.073 12.711 ( -3.447 -2.267 -5.208) 6.644 12.711 ( -3.447 -2.267 5.208) 6.644 15.449 ( 0.749 1.996 -1.006) 2.358 15.449 ( 0.749 1.996 1.006) 2.358 15.495 ( -0.311 -2.154 -2.610) 3.398 15.495 ( -0.311 -2.154 2.610) 3.398 =================== 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 3/18480 10.0 36.567 30.813 31.403 0.000 0.000 0.000 3/18480 20.0 9.735 8.280 7.661 0.000 0.000 0.000 3/18480 30.0 5.037 4.315 4.093 0.000 0.000 0.000 3/18480 40.0 3.305 2.863 2.821 0.000 0.000 0.000 3/18480 50.0 2.448 2.141 2.177 0.000 0.000 0.000 3/18480 60.0 1.946 1.714 1.788 0.000 0.000 0.000 3/18480 70.0 1.620 1.435 1.528 0.000 0.000 0.000 3/18480 80.0 1.392 1.238 1.342 0.000 0.000 0.000 3/18480 90.0 1.223 1.094 1.203 0.000 0.000 0.000 3/18480 100.0 1.094 0.983 1.096 0.000 0.000 0.000 3/18480 110.0 0.992 0.896 1.010 0.000 0.000 0.000 3/18480 120.0 0.909 0.826 0.939 0.000 0.000 0.000 3/18480 130.0 0.840 0.767 0.879 0.000 0.000 0.000 3/18480 140.0 0.782 0.718 0.827 0.000 0.000 0.000 3/18480 150.0 0.732 0.676 0.782 0.000 0.000 0.000 3/18480 160.0 0.689 0.639 0.742 0.000 0.000 0.000 3/18480 170.0 0.651 0.606 0.706 0.000 0.000 0.000 3/18480 180.0 0.617 0.577 0.674 0.000 0.000 0.000 3/18480 190.0 0.587 0.551 0.644 0.000 0.000 0.000 3/18480 200.0 0.559 0.527 0.618 0.000 0.000 0.000 3/18480 210.0 0.534 0.506 0.593 0.000 0.000 0.000 3/18480 220.0 0.512 0.486 0.570 0.000 0.000 0.000 3/18480 230.0 0.491 0.468 0.549 0.000 0.000 0.000 3/18480 240.0 0.472 0.451 0.529 0.000 0.000 0.000 3/18480 250.0 0.454 0.435 0.511 0.000 0.000 0.000 3/18480 260.0 0.438 0.420 0.494 0.000 0.000 0.000 3/18480 270.0 0.423 0.407 0.478 0.000 0.000 0.000 3/18480 280.0 0.408 0.394 0.462 0.000 0.000 0.000 3/18480 290.0 0.395 0.382 0.448 0.000 0.000 0.000 3/18480 300.0 0.383 0.370 0.435 0.000 0.000 0.000 3/18480 310.0 0.371 0.359 0.422 0.000 0.000 0.000 3/18480 320.0 0.360 0.349 0.410 0.000 0.000 0.000 3/18480 330.0 0.350 0.340 0.399 0.000 0.000 0.000 3/18480 340.0 0.340 0.331 0.388 0.000 0.000 0.000 3/18480 350.0 0.330 0.322 0.378 0.000 0.000 0.000 3/18480 360.0 0.322 0.314 0.368 0.000 0.000 0.000 3/18480 370.0 0.313 0.306 0.359 0.000 0.000 0.000 3/18480 380.0 0.305 0.299 0.351 0.000 0.000 0.000 3/18480 390.0 0.298 0.291 0.342 0.000 0.000 0.000 3/18480 400.0 0.291 0.285 0.334 0.000 0.000 0.000 3/18480 410.0 0.284 0.278 0.327 0.000 0.000 0.000 3/18480 420.0 0.277 0.272 0.319 0.000 0.000 0.000 3/18480 430.0 0.271 0.266 0.312 0.000 0.000 0.000 3/18480 440.0 0.265 0.260 0.306 0.000 0.000 0.000 3/18480 450.0 0.260 0.255 0.299 0.000 0.000 0.000 3/18480 460.0 0.254 0.250 0.293 0.000 0.000 0.000 3/18480 470.0 0.249 0.245 0.287 0.000 0.000 0.000 3/18480 480.0 0.244 0.240 0.281 0.000 0.000 0.000 3/18480 490.0 0.239 0.235 0.276 0.000 0.000 0.000 3/18480 500.0 0.234 0.231 0.271 0.000 0.000 0.000 3/18480 510.0 0.230 0.226 0.266 0.000 0.000 0.000 3/18480 520.0 0.226 0.222 0.261 0.000 0.000 0.000 3/18480 530.0 0.221 0.218 0.256 0.000 0.000 0.000 3/18480 540.0 0.217 0.214 0.251 0.000 0.000 0.000 3/18480 550.0 0.213 0.211 0.247 0.000 0.000 0.000 3/18480 560.0 0.210 0.207 0.243 0.000 0.000 -0.000 3/18480 570.0 0.206 0.204 0.239 0.000 0.000 -0.000 3/18480 580.0 0.203 0.200 0.235 0.000 0.000 -0.000 3/18480 590.0 0.199 0.197 0.231 0.000 0.000 -0.000 3/18480 600.0 0.196 0.194 0.227 0.000 0.000 -0.000 3/18480 610.0 0.193 0.191 0.224 0.000 0.000 -0.000 3/18480 620.0 0.190 0.188 0.220 0.000 0.000 -0.000 3/18480 630.0 0.187 0.185 0.217 0.000 0.000 -0.000 3/18480 640.0 0.184 0.182 0.213 0.000 0.000 -0.000 3/18480 650.0 0.181 0.179 0.210 0.000 0.000 -0.000 3/18480 660.0 0.179 0.177 0.207 0.000 0.000 -0.000 3/18480 670.0 0.176 0.174 0.204 0.000 0.000 -0.000 3/18480 680.0 0.173 0.172 0.201 0.000 0.000 -0.000 3/18480 690.0 0.171 0.169 0.198 0.000 0.000 -0.000 3/18480 700.0 0.168 0.167 0.196 0.000 0.000 -0.000 3/18480 710.0 0.166 0.165 0.193 0.000 0.000 -0.000 3/18480 720.0 0.164 0.162 0.190 0.000 0.000 -0.000 3/18480 730.0 0.162 0.160 0.188 0.000 0.000 -0.000 3/18480 740.0 0.160 0.158 0.185 0.000 0.000 -0.000 3/18480 750.0 0.157 0.156 0.183 0.000 0.000 -0.000 3/18480 760.0 0.155 0.154 0.180 0.000 0.000 -0.000 3/18480 770.0 0.153 0.152 0.178 0.000 0.000 -0.000 3/18480 780.0 0.151 0.150 0.176 0.000 0.000 -0.000 3/18480 790.0 0.150 0.148 0.174 0.000 0.000 -0.000 3/18480 800.0 0.148 0.147 0.172 0.000 0.000 -0.000 3/18480 810.0 0.146 0.145 0.169 0.000 0.000 -0.000 3/18480 820.0 0.144 0.143 0.167 0.000 0.000 -0.000 3/18480 830.0 0.142 0.141 0.165 0.000 0.000 -0.000 3/18480 840.0 0.141 0.140 0.164 0.000 0.000 -0.000 3/18480 850.0 0.139 0.138 0.162 0.000 0.000 -0.000 3/18480 860.0 0.137 0.136 0.160 0.000 0.000 -0.000 3/18480 870.0 0.136 0.135 0.158 0.000 0.000 -0.000 3/18480 880.0 0.134 0.133 0.156 0.000 0.000 -0.000 3/18480 890.0 0.133 0.132 0.155 0.000 0.000 -0.000 3/18480 900.0 0.131 0.131 0.153 0.000 0.000 -0.000 3/18480 910.0 0.130 0.129 0.151 0.000 0.000 -0.000 3/18480 920.0 0.129 0.128 0.150 0.000 0.000 -0.000 3/18480 930.0 0.127 0.126 0.148 0.000 0.000 -0.000 3/18480 940.0 0.126 0.125 0.146 0.000 0.000 -0.000 3/18480 950.0 0.125 0.124 0.145 0.000 0.000 -0.000 3/18480 960.0 0.123 0.122 0.143 0.000 0.000 -0.000 3/18480 970.0 0.122 0.121 0.142 0.000 0.000 -0.000 3/18480 980.0 0.121 0.120 0.141 0.000 0.000 -0.000 3/18480 990.0 0.120 0.119 0.139 0.000 0.000 -0.000 3/18480 1000.0 0.118 0.118 0.138 0.000 0.000 -0.000 3/18480 Thermal conductivity related properties were written into "kappa-m1154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:12:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|