----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.690446600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.336694700000000 Atomic positions (fractional): *1 B 0.41346397561862 0.25000000000000 0.09114012228359 10.811 2 B 0.58653602438138 0.75000000000000 0.90885987771641 10.811 3 B 0.91346397561862 0.25000000000000 0.40885987771641 10.811 4 B 0.08653602438138 0.75000000000000 0.59114012228359 10.811 *5 O 0.64896608613657 0.53864126658984 0.76542293906270 15.999 6 O 0.85103391386343 0.46135873341016 0.26542293906270 15.999 7 O 0.35103391386343 0.03864126658984 0.23457706093730 15.999 8 O 0.14896608613657 0.96135873341016 0.73457706093730 15.999 9 O 0.85103391386343 0.03864126658984 0.26542293906270 15.999 10 O 0.35103391386343 0.46135873341016 0.23457706093730 15.999 11 O 0.64896608613657 0.96135873341016 0.76542293906270 15.999 12 O 0.14896608613657 0.53864126658984 0.73457706093730 15.999 *13 O 0.08055098377426 0.75000000000000 0.25837710459041 15.999 14 O 0.41944901622574 0.25000000000000 0.75837710459041 15.999 15 O 0.91944901622574 0.25000000000000 0.74162289540959 15.999 16 O 0.58055098377426 0.75000000000000 0.24162289540959 15.999 *17 O 0.44409094498053 0.75000000000000 0.74579729237480 15.999 18 O 0.05590905501947 0.25000000000000 0.24579729237480 15.999 19 O 0.55590905501947 0.25000000000000 0.25420270762520 15.999 20 O 0.94409094498053 0.75000000000000 0.75420270762520 15.999 *21 Mg 0.77538270329144 0.75000000000000 0.48494443595487 24.305 22 Mg 0.72461729670856 0.25000000000000 0.98494443595487 24.305 23 Mg 0.22461729670856 0.25000000000000 0.51505556404513 24.305 24 Mg 0.27538270329144 0.75000000000000 0.01505556404513 24.305 *25 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.690446600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.336694700000000 Atomic positions (fractional): *1 B 0.41346397561862 0.25000000000000 0.09114012228359 10.811 > 1 2 B 0.58653602438138 0.75000000000000 0.90885987771641 10.811 > 2 3 B 0.91346397561862 0.25000000000000 0.40885987771641 10.811 > 3 4 B 0.08653602438138 0.75000000000000 0.59114012228359 10.811 > 4 *5 O 0.64896608613657 0.53864126658984 0.76542293906270 15.999 > 5 6 O 0.85103391386343 0.46135873341016 0.26542293906270 15.999 > 6 7 O 0.35103391386343 0.03864126658984 0.23457706093730 15.999 > 7 8 O 0.14896608613657 0.96135873341016 0.73457706093730 15.999 > 8 9 O 0.85103391386343 0.03864126658984 0.26542293906270 15.999 > 9 10 O 0.35103391386343 0.46135873341016 0.23457706093730 15.999 > 10 11 O 0.64896608613657 0.96135873341016 0.76542293906270 15.999 > 11 12 O 0.14896608613657 0.53864126658984 0.73457706093730 15.999 > 12 *13 O 0.08055098377426 0.75000000000000 0.25837710459041 15.999 > 13 14 O 0.41944901622574 0.25000000000000 0.75837710459041 15.999 > 14 15 O 0.91944901622574 0.25000000000000 0.74162289540959 15.999 > 15 16 O 0.58055098377426 0.75000000000000 0.24162289540959 15.999 > 16 *17 O 0.44409094498053 0.75000000000000 0.74579729237480 15.999 > 17 18 O 0.05590905501947 0.25000000000000 0.24579729237480 15.999 > 18 19 O 0.55590905501947 0.25000000000000 0.25420270762520 15.999 > 19 20 O 0.94409094498053 0.75000000000000 0.75420270762520 15.999 > 20 *21 Mg 0.77538270329144 0.75000000000000 0.48494443595487 24.305 > 21 22 Mg 0.72461729670856 0.25000000000000 0.98494443595487 24.305 > 22 23 Mg 0.22461729670856 0.25000000000000 0.51505556404513 24.305 > 23 24 Mg 0.27538270329144 0.75000000000000 0.01505556404513 24.305 > 24 *25 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 25 26 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 26 27 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 27 28 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.380893199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.673389400000000 Atomic positions (fractional): *1 B 0.41346397561862 0.12500000000000 0.04557006114180 10.811 > 1 2 B 0.41346397561862 0.62500000000000 0.04557006114180 10.811 > 1 3 B 0.41346397561862 0.12500000000000 0.54557006114180 10.811 > 1 4 B 0.41346397561862 0.62500000000000 0.54557006114180 10.811 > 1 5 B 0.58653602438138 0.37500000000000 0.45442993885820 10.811 > 2 6 B 0.58653602438138 0.87500000000000 0.45442993885820 10.811 > 2 7 B 0.58653602438138 0.37500000000000 0.95442993885820 10.811 > 2 8 B 0.58653602438138 0.87500000000000 0.95442993885820 10.811 > 2 9 B 0.91346397561862 0.12500000000000 0.20442993885820 10.811 > 3 10 B 0.91346397561862 0.62500000000000 0.20442993885820 10.811 > 3 11 B 0.91346397561862 0.12500000000000 0.70442993885820 10.811 > 3 12 B 0.91346397561862 0.62500000000000 0.70442993885820 10.811 > 3 13 B 0.08653602438138 0.37500000000000 0.29557006114180 10.811 > 4 14 B 0.08653602438138 0.87500000000000 0.29557006114180 10.811 > 4 15 B 0.08653602438138 0.37500000000000 0.79557006114180 10.811 > 4 16 B 0.08653602438138 0.87500000000000 0.79557006114180 10.811 > 4 *17 O 0.64896608613657 0.26932063329492 0.38271146953135 15.999 > 5 18 O 0.64896608613657 0.76932063329492 0.38271146953135 15.999 > 5 19 O 0.64896608613657 0.26932063329492 0.88271146953135 15.999 > 5 20 O 0.64896608613657 0.76932063329492 0.88271146953135 15.999 > 5 21 O 0.85103391386343 0.23067936670508 0.13271146953135 15.999 > 6 22 O 0.85103391386343 0.73067936670508 0.13271146953135 15.999 > 6 23 O 0.85103391386343 0.23067936670508 0.63271146953135 15.999 > 6 24 O 0.85103391386343 0.73067936670508 0.63271146953135 15.999 > 6 25 O 0.35103391386343 0.01932063329492 0.11728853046865 15.999 > 7 26 O 0.35103391386343 0.51932063329492 0.11728853046865 15.999 > 7 27 O 0.35103391386343 0.01932063329492 0.61728853046865 15.999 > 7 28 O 0.35103391386343 0.51932063329492 0.61728853046865 15.999 > 7 29 O 0.14896608613657 0.48067936670508 0.36728853046865 15.999 > 8 30 O 0.14896608613657 0.98067936670508 0.36728853046865 15.999 > 8 31 O 0.14896608613657 0.48067936670508 0.86728853046865 15.999 > 8 32 O 0.14896608613657 0.98067936670508 0.86728853046865 15.999 > 8 33 O 0.85103391386343 0.01932063329492 0.13271146953135 15.999 > 9 34 O 0.85103391386343 0.51932063329492 0.13271146953135 15.999 > 9 35 O 0.85103391386343 0.01932063329492 0.63271146953135 15.999 > 9 36 O 0.85103391386343 0.51932063329492 0.63271146953135 15.999 > 9 37 O 0.35103391386343 0.23067936670508 0.11728853046865 15.999 > 10 38 O 0.35103391386343 0.73067936670508 0.11728853046865 15.999 > 10 39 O 0.35103391386343 0.23067936670508 0.61728853046865 15.999 > 10 40 O 0.35103391386343 0.73067936670508 0.61728853046865 15.999 > 10 41 O 0.64896608613657 0.48067936670508 0.38271146953135 15.999 > 11 42 O 0.64896608613657 0.98067936670508 0.38271146953135 15.999 > 11 43 O 0.64896608613657 0.48067936670508 0.88271146953135 15.999 > 11 44 O 0.64896608613657 0.98067936670508 0.88271146953135 15.999 > 11 45 O 0.14896608613657 0.26932063329492 0.36728853046865 15.999 > 12 46 O 0.14896608613657 0.76932063329492 0.36728853046865 15.999 > 12 47 O 0.14896608613657 0.26932063329492 0.86728853046865 15.999 > 12 48 O 0.14896608613657 0.76932063329492 0.86728853046865 15.999 > 12 *49 O 0.08055098377426 0.37500000000000 0.12918855229521 15.999 > 13 50 O 0.08055098377426 0.87500000000000 0.12918855229521 15.999 > 13 51 O 0.08055098377426 0.37500000000000 0.62918855229521 15.999 > 13 52 O 0.08055098377426 0.87500000000000 0.62918855229521 15.999 > 13 53 O 0.41944901622574 0.12500000000000 0.37918855229521 15.999 > 14 54 O 0.41944901622574 0.62500000000000 0.37918855229521 15.999 > 14 55 O 0.41944901622574 0.12500000000000 0.87918855229521 15.999 > 14 56 O 0.41944901622574 0.62500000000000 0.87918855229521 15.999 > 14 57 O 0.91944901622574 0.12500000000000 0.37081144770479 15.999 > 15 58 O 0.91944901622574 0.62500000000000 0.37081144770479 15.999 > 15 59 O 0.91944901622574 0.12500000000000 0.87081144770479 15.999 > 15 60 O 0.91944901622574 0.62500000000000 0.87081144770479 15.999 > 15 61 O 0.58055098377426 0.37500000000000 0.12081144770479 15.999 > 16 62 O 0.58055098377426 0.87500000000000 0.12081144770479 15.999 > 16 63 O 0.58055098377426 0.37500000000000 0.62081144770479 15.999 > 16 64 O 0.58055098377426 0.87500000000000 0.62081144770479 15.999 > 16 *65 O 0.44409094498053 0.37500000000000 0.37289864618740 15.999 > 17 66 O 0.44409094498053 0.87500000000000 0.37289864618740 15.999 > 17 67 O 0.44409094498053 0.37500000000000 0.87289864618740 15.999 > 17 68 O 0.44409094498053 0.87500000000000 0.87289864618740 15.999 > 17 69 O 0.05590905501947 0.12500000000000 0.12289864618740 15.999 > 18 70 O 0.05590905501947 0.62500000000000 0.12289864618740 15.999 > 18 71 O 0.05590905501947 0.12500000000000 0.62289864618740 15.999 > 18 72 O 0.05590905501947 0.62500000000000 0.62289864618740 15.999 > 18 73 O 0.55590905501947 0.12500000000000 0.12710135381260 15.999 > 19 74 O 0.55590905501947 0.62500000000000 0.12710135381260 15.999 > 19 75 O 0.55590905501947 0.12500000000000 0.62710135381260 15.999 > 19 76 O 0.55590905501947 0.62500000000000 0.62710135381260 15.999 > 19 77 O 0.94409094498053 0.37500000000000 0.37710135381260 15.999 > 20 78 O 0.94409094498053 0.87500000000000 0.37710135381260 15.999 > 20 79 O 0.94409094498053 0.37500000000000 0.87710135381260 15.999 > 20 80 O 0.94409094498053 0.87500000000000 0.87710135381260 15.999 > 20 *81 Mg 0.77538270329144 0.37500000000000 0.24247221797743 24.305 > 21 82 Mg 0.77538270329144 0.87500000000000 0.24247221797743 24.305 > 21 83 Mg 0.77538270329144 0.37500000000000 0.74247221797743 24.305 > 21 84 Mg 0.77538270329144 0.87500000000000 0.74247221797743 24.305 > 21 85 Mg 0.72461729670856 0.12500000000000 0.49247221797743 24.305 > 22 86 Mg 0.72461729670856 0.62500000000000 0.49247221797743 24.305 > 22 87 Mg 0.72461729670856 0.12500000000000 0.99247221797743 24.305 > 22 88 Mg 0.72461729670856 0.62500000000000 0.99247221797743 24.305 > 22 89 Mg 0.22461729670856 0.12500000000000 0.25752778202257 24.305 > 23 90 Mg 0.22461729670856 0.62500000000000 0.25752778202257 24.305 > 23 91 Mg 0.22461729670856 0.12500000000000 0.75752778202257 24.305 > 23 92 Mg 0.22461729670856 0.62500000000000 0.75752778202257 24.305 > 23 93 Mg 0.27538270329144 0.37500000000000 0.00752778202257 24.305 > 24 94 Mg 0.27538270329144 0.87500000000000 0.00752778202257 24.305 > 24 95 Mg 0.27538270329144 0.37500000000000 0.50752778202257 24.305 > 24 96 Mg 0.27538270329144 0.87500000000000 0.50752778202257 24.305 > 24 *97 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 25 98 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 25 99 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 25 100 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 25 101 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 26 102 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 26 103 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 26 104 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 26 105 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 27 106 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 27 107 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 27 108 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 27 109 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 28 110 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 28 111 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 28 112 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9016297 0.0000000 0.0000000 0.0000000 3.0130702 0.0000000 0.0000000 0.0000000 3.0334596 -------------------------- Born effective charges -------------------------- 1 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 2 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 3 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 4 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 5 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 6 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 7 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 8 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 9 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 10 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 11 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 12 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 13 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 14 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 15 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 16 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 17 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 18 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 19 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 20 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 21 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 22 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 23 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 24 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 25 Al 2.3137720 0.3914458 0.1648875 0.3611308 2.9988160 0.1559349 0.0166079 -0.0629317 2.9931571 26 Al 2.3137720 0.3914458 -0.1648875 0.3611308 2.9988160 -0.1559349 -0.0166079 0.0629317 2.9931571 27 Al 2.3137720 -0.3914458 0.1648875 -0.3611308 2.9988160 -0.1559349 0.0166079 0.0629317 2.9931571 28 Al 2.3137720 -0.3914458 -0.1648875 -0.3611308 2.9988160 0.1559349 -0.0166079 -0.0629317 2.9931571 ---------------------------------------------------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 480 - Time: 3.104 Solver_block: 200 / 480 - Time: 3.178 Solver_block: 300 / 480 - Time: 3.108 Solver_block: 400 / 480 - Time: 3.077 Solver_block: 480 / 480 - Time: 2.481 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.322 --------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-07 22:52:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:53:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.690446600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.336694700000000 Atomic positions (fractional): 1 B 0.41346397561862 0.25000000000000 0.09114012228359 10.811 2 B 0.58653602438138 0.75000000000000 0.90885987771641 10.811 3 B 0.91346397561862 0.25000000000000 0.40885987771641 10.811 4 B 0.08653602438138 0.75000000000000 0.59114012228359 10.811 5 O 0.64896608613657 0.53864126658984 0.76542293906270 15.999 6 O 0.85103391386343 0.46135873341016 0.26542293906270 15.999 7 O 0.35103391386343 0.03864126658984 0.23457706093730 15.999 8 O 0.14896608613657 0.96135873341016 0.73457706093730 15.999 9 O 0.85103391386343 0.03864126658984 0.26542293906270 15.999 10 O 0.35103391386343 0.46135873341016 0.23457706093730 15.999 11 O 0.64896608613657 0.96135873341016 0.76542293906270 15.999 12 O 0.14896608613657 0.53864126658984 0.73457706093730 15.999 13 O 0.08055098377426 0.75000000000000 0.25837710459041 15.999 14 O 0.41944901622574 0.25000000000000 0.75837710459041 15.999 15 O 0.91944901622574 0.25000000000000 0.74162289540959 15.999 16 O 0.58055098377426 0.75000000000000 0.24162289540959 15.999 17 O 0.44409094498053 0.75000000000000 0.74579729237480 15.999 18 O 0.05590905501947 0.25000000000000 0.24579729237480 15.999 19 O 0.55590905501947 0.25000000000000 0.25420270762520 15.999 20 O 0.94409094498053 0.75000000000000 0.75420270762520 15.999 21 Mg 0.77538270329144 0.75000000000000 0.48494443595487 24.305 22 Mg 0.72461729670856 0.25000000000000 0.98494443595487 24.305 23 Mg 0.22461729670856 0.25000000000000 0.51505556404513 24.305 24 Mg 0.27538270329144 0.75000000000000 0.01505556404513 24.305 25 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.380893199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.673389400000000 Atomic positions (fractional): 1 B 0.41346397561862 0.12500000000000 0.04557006114180 10.811 > 1 2 B 0.41346397561862 0.62500000000000 0.04557006114180 10.811 > 1 3 B 0.41346397561862 0.12500000000000 0.54557006114180 10.811 > 1 4 B 0.41346397561862 0.62500000000000 0.54557006114180 10.811 > 1 5 B 0.58653602438138 0.37500000000000 0.45442993885820 10.811 > 5 6 B 0.58653602438138 0.87500000000000 0.45442993885820 10.811 > 5 7 B 0.58653602438138 0.37500000000000 0.95442993885820 10.811 > 5 8 B 0.58653602438138 0.87500000000000 0.95442993885820 10.811 > 5 9 B 0.91346397561862 0.12500000000000 0.20442993885820 10.811 > 9 10 B 0.91346397561862 0.62500000000000 0.20442993885820 10.811 > 9 11 B 0.91346397561862 0.12500000000000 0.70442993885820 10.811 > 9 12 B 0.91346397561862 0.62500000000000 0.70442993885820 10.811 > 9 13 B 0.08653602438138 0.37500000000000 0.29557006114180 10.811 > 13 14 B 0.08653602438138 0.87500000000000 0.29557006114180 10.811 > 13 15 B 0.08653602438138 0.37500000000000 0.79557006114180 10.811 > 13 16 B 0.08653602438138 0.87500000000000 0.79557006114180 10.811 > 13 17 O 0.64896608613657 0.26932063329492 0.38271146953135 15.999 > 17 18 O 0.64896608613657 0.76932063329492 0.38271146953135 15.999 > 17 19 O 0.64896608613657 0.26932063329492 0.88271146953135 15.999 > 17 20 O 0.64896608613657 0.76932063329492 0.88271146953135 15.999 > 17 21 O 0.85103391386343 0.23067936670508 0.13271146953135 15.999 > 21 22 O 0.85103391386343 0.73067936670508 0.13271146953135 15.999 > 21 23 O 0.85103391386343 0.23067936670508 0.63271146953135 15.999 > 21 24 O 0.85103391386343 0.73067936670508 0.63271146953135 15.999 > 21 25 O 0.35103391386343 0.01932063329492 0.11728853046865 15.999 > 25 26 O 0.35103391386343 0.51932063329492 0.11728853046865 15.999 > 25 27 O 0.35103391386343 0.01932063329492 0.61728853046865 15.999 > 25 28 O 0.35103391386343 0.51932063329492 0.61728853046865 15.999 > 25 29 O 0.14896608613657 0.48067936670508 0.36728853046865 15.999 > 29 30 O 0.14896608613657 0.98067936670508 0.36728853046865 15.999 > 29 31 O 0.14896608613657 0.48067936670508 0.86728853046865 15.999 > 29 32 O 0.14896608613657 0.98067936670508 0.86728853046865 15.999 > 29 33 O 0.85103391386343 0.01932063329492 0.13271146953135 15.999 > 33 34 O 0.85103391386343 0.51932063329492 0.13271146953135 15.999 > 33 35 O 0.85103391386343 0.01932063329492 0.63271146953135 15.999 > 33 36 O 0.85103391386343 0.51932063329492 0.63271146953135 15.999 > 33 37 O 0.35103391386343 0.23067936670508 0.11728853046865 15.999 > 37 38 O 0.35103391386343 0.73067936670508 0.11728853046865 15.999 > 37 39 O 0.35103391386343 0.23067936670508 0.61728853046865 15.999 > 37 40 O 0.35103391386343 0.73067936670508 0.61728853046865 15.999 > 37 41 O 0.64896608613657 0.48067936670508 0.38271146953135 15.999 > 41 42 O 0.64896608613657 0.98067936670508 0.38271146953135 15.999 > 41 43 O 0.64896608613657 0.48067936670508 0.88271146953135 15.999 > 41 44 O 0.64896608613657 0.98067936670508 0.88271146953135 15.999 > 41 45 O 0.14896608613657 0.26932063329492 0.36728853046865 15.999 > 45 46 O 0.14896608613657 0.76932063329492 0.36728853046865 15.999 > 45 47 O 0.14896608613657 0.26932063329492 0.86728853046865 15.999 > 45 48 O 0.14896608613657 0.76932063329492 0.86728853046865 15.999 > 45 49 O 0.08055098377426 0.37500000000000 0.12918855229521 15.999 > 49 50 O 0.08055098377426 0.87500000000000 0.12918855229521 15.999 > 49 51 O 0.08055098377426 0.37500000000000 0.62918855229521 15.999 > 49 52 O 0.08055098377426 0.87500000000000 0.62918855229521 15.999 > 49 53 O 0.41944901622574 0.12500000000000 0.37918855229521 15.999 > 53 54 O 0.41944901622574 0.62500000000000 0.37918855229521 15.999 > 53 55 O 0.41944901622574 0.12500000000000 0.87918855229521 15.999 > 53 56 O 0.41944901622574 0.62500000000000 0.87918855229521 15.999 > 53 57 O 0.91944901622574 0.12500000000000 0.37081144770479 15.999 > 57 58 O 0.91944901622574 0.62500000000000 0.37081144770479 15.999 > 57 59 O 0.91944901622574 0.12500000000000 0.87081144770479 15.999 > 57 60 O 0.91944901622574 0.62500000000000 0.87081144770479 15.999 > 57 61 O 0.58055098377426 0.37500000000000 0.12081144770479 15.999 > 61 62 O 0.58055098377426 0.87500000000000 0.12081144770479 15.999 > 61 63 O 0.58055098377426 0.37500000000000 0.62081144770479 15.999 > 61 64 O 0.58055098377426 0.87500000000000 0.62081144770479 15.999 > 61 65 O 0.44409094498053 0.37500000000000 0.37289864618740 15.999 > 65 66 O 0.44409094498053 0.87500000000000 0.37289864618740 15.999 > 65 67 O 0.44409094498053 0.37500000000000 0.87289864618740 15.999 > 65 68 O 0.44409094498053 0.87500000000000 0.87289864618740 15.999 > 65 69 O 0.05590905501947 0.12500000000000 0.12289864618740 15.999 > 69 70 O 0.05590905501947 0.62500000000000 0.12289864618740 15.999 > 69 71 O 0.05590905501947 0.12500000000000 0.62289864618740 15.999 > 69 72 O 0.05590905501947 0.62500000000000 0.62289864618740 15.999 > 69 73 O 0.55590905501947 0.12500000000000 0.12710135381260 15.999 > 73 74 O 0.55590905501947 0.62500000000000 0.12710135381260 15.999 > 73 75 O 0.55590905501947 0.12500000000000 0.62710135381260 15.999 > 73 76 O 0.55590905501947 0.62500000000000 0.62710135381260 15.999 > 73 77 O 0.94409094498053 0.37500000000000 0.37710135381260 15.999 > 77 78 O 0.94409094498053 0.87500000000000 0.37710135381260 15.999 > 77 79 O 0.94409094498053 0.37500000000000 0.87710135381260 15.999 > 77 80 O 0.94409094498053 0.87500000000000 0.87710135381260 15.999 > 77 81 Mg 0.77538270329144 0.37500000000000 0.24247221797743 24.305 > 81 82 Mg 0.77538270329144 0.87500000000000 0.24247221797743 24.305 > 81 83 Mg 0.77538270329144 0.37500000000000 0.74247221797743 24.305 > 81 84 Mg 0.77538270329144 0.87500000000000 0.74247221797743 24.305 > 81 85 Mg 0.72461729670856 0.12500000000000 0.49247221797743 24.305 > 85 86 Mg 0.72461729670856 0.62500000000000 0.49247221797743 24.305 > 85 87 Mg 0.72461729670856 0.12500000000000 0.99247221797743 24.305 > 85 88 Mg 0.72461729670856 0.62500000000000 0.99247221797743 24.305 > 85 89 Mg 0.22461729670856 0.12500000000000 0.25752778202257 24.305 > 89 90 Mg 0.22461729670856 0.62500000000000 0.25752778202257 24.305 > 89 91 Mg 0.22461729670856 0.12500000000000 0.75752778202257 24.305 > 89 92 Mg 0.22461729670856 0.62500000000000 0.75752778202257 24.305 > 89 93 Mg 0.27538270329144 0.37500000000000 0.00752778202257 24.305 > 93 94 Mg 0.27538270329144 0.87500000000000 0.00752778202257 24.305 > 93 95 Mg 0.27538270329144 0.37500000000000 0.50752778202257 24.305 > 93 96 Mg 0.27538270329144 0.87500000000000 0.50752778202257 24.305 > 93 97 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 97 98 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 97 99 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 97 100 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 97 101 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 101 102 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 101 103 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 101 104 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 101 105 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 105 106 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 105 107 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 105 108 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 105 109 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 109 110 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 109 111 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 109 112 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9016297 0.0000000 0.0000000 0.0000000 3.0130702 0.0000000 0.0000000 0.0000000 3.0334596 -------------------------- Born effective charges -------------------------- 1 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 2 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 3 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 4 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 5 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 6 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 7 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 8 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 9 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 10 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 11 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 12 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 13 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 14 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 15 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 16 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 17 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 18 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 19 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 20 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 21 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 22 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 23 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 24 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 25 Al 2.3137720 0.3914458 0.1648875 0.3611308 2.9988160 0.1559349 0.0166079 -0.0629317 2.9931571 26 Al 2.3137720 0.3914458 -0.1648875 0.3611308 2.9988160 -0.1559349 -0.0166079 0.0629317 2.9931571 27 Al 2.3137720 -0.3914458 0.1648875 -0.3611308 2.9988160 -0.1559349 0.0166079 0.0629317 2.9931571 28 Al 2.3137720 -0.3914458 -0.1648875 -0.3611308 2.9988160 0.1559349 -0.0166079 -0.0629317 2.9931571 ---------------------------------------------------------------------------- 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[ 17, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (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 2026-01-07 22:53:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:53:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.690446600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.336694700000000 Atomic positions (fractional): 1 B 0.41346397561862 0.25000000000000 0.09114012228359 10.811 2 B 0.58653602438138 0.75000000000000 0.90885987771641 10.811 3 B 0.91346397561862 0.25000000000000 0.40885987771641 10.811 4 B 0.08653602438138 0.75000000000000 0.59114012228359 10.811 5 O 0.64896608613657 0.53864126658984 0.76542293906270 15.999 6 O 0.85103391386343 0.46135873341016 0.26542293906270 15.999 7 O 0.35103391386343 0.03864126658984 0.23457706093730 15.999 8 O 0.14896608613657 0.96135873341016 0.73457706093730 15.999 9 O 0.85103391386343 0.03864126658984 0.26542293906270 15.999 10 O 0.35103391386343 0.46135873341016 0.23457706093730 15.999 11 O 0.64896608613657 0.96135873341016 0.76542293906270 15.999 12 O 0.14896608613657 0.53864126658984 0.73457706093730 15.999 13 O 0.08055098377426 0.75000000000000 0.25837710459041 15.999 14 O 0.41944901622574 0.25000000000000 0.75837710459041 15.999 15 O 0.91944901622574 0.25000000000000 0.74162289540959 15.999 16 O 0.58055098377426 0.75000000000000 0.24162289540959 15.999 17 O 0.44409094498053 0.75000000000000 0.74579729237480 15.999 18 O 0.05590905501947 0.25000000000000 0.24579729237480 15.999 19 O 0.55590905501947 0.25000000000000 0.25420270762520 15.999 20 O 0.94409094498053 0.75000000000000 0.75420270762520 15.999 21 Mg 0.77538270329144 0.75000000000000 0.48494443595487 24.305 22 Mg 0.72461729670856 0.25000000000000 0.98494443595487 24.305 23 Mg 0.22461729670856 0.25000000000000 0.51505556404513 24.305 24 Mg 0.27538270329144 0.75000000000000 0.01505556404513 24.305 25 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.889396600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.380893199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.673389400000000 Atomic positions (fractional): 1 B 0.41346397561862 0.12500000000000 0.04557006114180 10.811 > 1 2 B 0.41346397561862 0.62500000000000 0.04557006114180 10.811 > 1 3 B 0.41346397561862 0.12500000000000 0.54557006114180 10.811 > 1 4 B 0.41346397561862 0.62500000000000 0.54557006114180 10.811 > 1 5 B 0.58653602438138 0.37500000000000 0.45442993885820 10.811 > 5 6 B 0.58653602438138 0.87500000000000 0.45442993885820 10.811 > 5 7 B 0.58653602438138 0.37500000000000 0.95442993885820 10.811 > 5 8 B 0.58653602438138 0.87500000000000 0.95442993885820 10.811 > 5 9 B 0.91346397561862 0.12500000000000 0.20442993885820 10.811 > 9 10 B 0.91346397561862 0.62500000000000 0.20442993885820 10.811 > 9 11 B 0.91346397561862 0.12500000000000 0.70442993885820 10.811 > 9 12 B 0.91346397561862 0.62500000000000 0.70442993885820 10.811 > 9 13 B 0.08653602438138 0.37500000000000 0.29557006114180 10.811 > 13 14 B 0.08653602438138 0.87500000000000 0.29557006114180 10.811 > 13 15 B 0.08653602438138 0.37500000000000 0.79557006114180 10.811 > 13 16 B 0.08653602438138 0.87500000000000 0.79557006114180 10.811 > 13 17 O 0.64896608613657 0.26932063329492 0.38271146953135 15.999 > 17 18 O 0.64896608613657 0.76932063329492 0.38271146953135 15.999 > 17 19 O 0.64896608613657 0.26932063329492 0.88271146953135 15.999 > 17 20 O 0.64896608613657 0.76932063329492 0.88271146953135 15.999 > 17 21 O 0.85103391386343 0.23067936670508 0.13271146953135 15.999 > 21 22 O 0.85103391386343 0.73067936670508 0.13271146953135 15.999 > 21 23 O 0.85103391386343 0.23067936670508 0.63271146953135 15.999 > 21 24 O 0.85103391386343 0.73067936670508 0.63271146953135 15.999 > 21 25 O 0.35103391386343 0.01932063329492 0.11728853046865 15.999 > 25 26 O 0.35103391386343 0.51932063329492 0.11728853046865 15.999 > 25 27 O 0.35103391386343 0.01932063329492 0.61728853046865 15.999 > 25 28 O 0.35103391386343 0.51932063329492 0.61728853046865 15.999 > 25 29 O 0.14896608613657 0.48067936670508 0.36728853046865 15.999 > 29 30 O 0.14896608613657 0.98067936670508 0.36728853046865 15.999 > 29 31 O 0.14896608613657 0.48067936670508 0.86728853046865 15.999 > 29 32 O 0.14896608613657 0.98067936670508 0.86728853046865 15.999 > 29 33 O 0.85103391386343 0.01932063329492 0.13271146953135 15.999 > 33 34 O 0.85103391386343 0.51932063329492 0.13271146953135 15.999 > 33 35 O 0.85103391386343 0.01932063329492 0.63271146953135 15.999 > 33 36 O 0.85103391386343 0.51932063329492 0.63271146953135 15.999 > 33 37 O 0.35103391386343 0.23067936670508 0.11728853046865 15.999 > 37 38 O 0.35103391386343 0.73067936670508 0.11728853046865 15.999 > 37 39 O 0.35103391386343 0.23067936670508 0.61728853046865 15.999 > 37 40 O 0.35103391386343 0.73067936670508 0.61728853046865 15.999 > 37 41 O 0.64896608613657 0.48067936670508 0.38271146953135 15.999 > 41 42 O 0.64896608613657 0.98067936670508 0.38271146953135 15.999 > 41 43 O 0.64896608613657 0.48067936670508 0.88271146953135 15.999 > 41 44 O 0.64896608613657 0.98067936670508 0.88271146953135 15.999 > 41 45 O 0.14896608613657 0.26932063329492 0.36728853046865 15.999 > 45 46 O 0.14896608613657 0.76932063329492 0.36728853046865 15.999 > 45 47 O 0.14896608613657 0.26932063329492 0.86728853046865 15.999 > 45 48 O 0.14896608613657 0.76932063329492 0.86728853046865 15.999 > 45 49 O 0.08055098377426 0.37500000000000 0.12918855229521 15.999 > 49 50 O 0.08055098377426 0.87500000000000 0.12918855229521 15.999 > 49 51 O 0.08055098377426 0.37500000000000 0.62918855229521 15.999 > 49 52 O 0.08055098377426 0.87500000000000 0.62918855229521 15.999 > 49 53 O 0.41944901622574 0.12500000000000 0.37918855229521 15.999 > 53 54 O 0.41944901622574 0.62500000000000 0.37918855229521 15.999 > 53 55 O 0.41944901622574 0.12500000000000 0.87918855229521 15.999 > 53 56 O 0.41944901622574 0.62500000000000 0.87918855229521 15.999 > 53 57 O 0.91944901622574 0.12500000000000 0.37081144770479 15.999 > 57 58 O 0.91944901622574 0.62500000000000 0.37081144770479 15.999 > 57 59 O 0.91944901622574 0.12500000000000 0.87081144770479 15.999 > 57 60 O 0.91944901622574 0.62500000000000 0.87081144770479 15.999 > 57 61 O 0.58055098377426 0.37500000000000 0.12081144770479 15.999 > 61 62 O 0.58055098377426 0.87500000000000 0.12081144770479 15.999 > 61 63 O 0.58055098377426 0.37500000000000 0.62081144770479 15.999 > 61 64 O 0.58055098377426 0.87500000000000 0.62081144770479 15.999 > 61 65 O 0.44409094498053 0.37500000000000 0.37289864618740 15.999 > 65 66 O 0.44409094498053 0.87500000000000 0.37289864618740 15.999 > 65 67 O 0.44409094498053 0.37500000000000 0.87289864618740 15.999 > 65 68 O 0.44409094498053 0.87500000000000 0.87289864618740 15.999 > 65 69 O 0.05590905501947 0.12500000000000 0.12289864618740 15.999 > 69 70 O 0.05590905501947 0.62500000000000 0.12289864618740 15.999 > 69 71 O 0.05590905501947 0.12500000000000 0.62289864618740 15.999 > 69 72 O 0.05590905501947 0.62500000000000 0.62289864618740 15.999 > 69 73 O 0.55590905501947 0.12500000000000 0.12710135381260 15.999 > 73 74 O 0.55590905501947 0.62500000000000 0.12710135381260 15.999 > 73 75 O 0.55590905501947 0.12500000000000 0.62710135381260 15.999 > 73 76 O 0.55590905501947 0.62500000000000 0.62710135381260 15.999 > 73 77 O 0.94409094498053 0.37500000000000 0.37710135381260 15.999 > 77 78 O 0.94409094498053 0.87500000000000 0.37710135381260 15.999 > 77 79 O 0.94409094498053 0.37500000000000 0.87710135381260 15.999 > 77 80 O 0.94409094498053 0.87500000000000 0.87710135381260 15.999 > 77 81 Mg 0.77538270329144 0.37500000000000 0.24247221797743 24.305 > 81 82 Mg 0.77538270329144 0.87500000000000 0.24247221797743 24.305 > 81 83 Mg 0.77538270329144 0.37500000000000 0.74247221797743 24.305 > 81 84 Mg 0.77538270329144 0.87500000000000 0.74247221797743 24.305 > 81 85 Mg 0.72461729670856 0.12500000000000 0.49247221797743 24.305 > 85 86 Mg 0.72461729670856 0.62500000000000 0.49247221797743 24.305 > 85 87 Mg 0.72461729670856 0.12500000000000 0.99247221797743 24.305 > 85 88 Mg 0.72461729670856 0.62500000000000 0.99247221797743 24.305 > 85 89 Mg 0.22461729670856 0.12500000000000 0.25752778202257 24.305 > 89 90 Mg 0.22461729670856 0.62500000000000 0.25752778202257 24.305 > 89 91 Mg 0.22461729670856 0.12500000000000 0.75752778202257 24.305 > 89 92 Mg 0.22461729670856 0.62500000000000 0.75752778202257 24.305 > 89 93 Mg 0.27538270329144 0.37500000000000 0.00752778202257 24.305 > 93 94 Mg 0.27538270329144 0.87500000000000 0.00752778202257 24.305 > 93 95 Mg 0.27538270329144 0.37500000000000 0.50752778202257 24.305 > 93 96 Mg 0.27538270329144 0.87500000000000 0.50752778202257 24.305 > 93 97 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 97 98 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 97 99 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 97 100 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 97 101 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 101 102 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 101 103 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 101 104 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 101 105 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 105 106 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 105 107 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 105 108 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 105 109 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 109 110 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 109 111 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 109 112 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9016297 0.0000000 0.0000000 0.0000000 3.0130702 0.0000000 0.0000000 0.0000000 3.0334596 -------------------------- Born effective charges -------------------------- 1 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 2 B 1.7771324 0.0000000 -0.0417031 0.0000000 2.2270682 0.0000000 0.0485462 0.0000000 2.6362569 3 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 4 B 1.7771324 0.0000000 0.0417031 0.0000000 2.2270682 0.0000000 -0.0485462 0.0000000 2.6362569 5 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 6 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 7 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 8 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 9 O -1.6335302 -0.2046014 0.0083246 -0.2496215 -1.9706394 -0.1887351 0.0023318 -0.1335606 -1.6174715 10 O -1.6335302 0.2046014 -0.0083246 0.2496215 -1.9706394 -0.1887351 -0.0023318 -0.1335606 -1.6174715 11 O -1.6335302 -0.2046014 -0.0083246 -0.2496215 -1.9706394 0.1887351 -0.0023318 0.1335606 -1.6174715 12 O -1.6335302 0.2046014 0.0083246 0.2496215 -1.9706394 0.1887351 0.0023318 0.1335606 -1.6174715 13 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 14 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 15 O -1.3274473 0.0000000 -0.1079384 0.0000000 -1.6080600 0.0000000 -0.1407408 0.0000000 -2.6046886 16 O -1.3274473 0.0000000 0.1079384 0.0000000 -1.6080600 0.0000000 0.1407408 0.0000000 -2.6046886 17 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 18 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 19 O -1.8995249 0.0000000 -0.1264685 0.0000000 -1.6915615 0.0000000 -0.1344870 0.0000000 -1.7227522 20 O -1.8995249 0.0000000 0.1264685 0.0000000 -1.6915615 0.0000000 0.1344870 0.0000000 -1.7227522 21 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 22 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 23 Mg 2.4031283 0.0000000 -0.0855928 0.0000000 2.0150160 0.0000000 0.0111221 0.0000000 1.9329699 24 Mg 2.4031283 0.0000000 0.0855928 0.0000000 2.0150160 0.0000000 -0.0111221 0.0000000 1.9329699 25 Al 2.3137720 0.3914458 0.1648875 0.3611308 2.9988160 0.1559349 0.0166079 -0.0629317 2.9931571 26 Al 2.3137720 0.3914458 -0.1648875 0.3611308 2.9988160 -0.1559349 -0.0166079 0.0629317 2.9931571 27 Al 2.3137720 -0.3914458 0.1648875 -0.3611308 2.9988160 -0.1559349 0.0166079 0.0629317 2.9931571 28 Al 2.3137720 -0.3914458 -0.1648875 -0.3611308 2.9988160 0.1559349 -0.0166079 -0.0629317 2.9931571 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 5 9 12 ] 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: 0.66, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 11.844 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.080 ( 0.000 0.000 0.000) 0.000 12.351 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.741 ( 0.000 0.000 0.000) 0.000 13.755 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.644 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.379 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 16.867 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.068 ( 0.000 0.000 0.000) 0.000 20.336 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.633 ( 0.000 0.000 0.000) 0.000 20.668 ( 0.000 0.000 0.000) 0.000 20.704 ( 0.000 0.000 0.000) 0.000 20.816 ( 0.000 0.000 0.000) 0.000 22.249 ( 0.000 0.000 0.000) 0.000 22.628 ( 0.000 0.000 0.000) 0.000 22.760 ( 0.000 0.000 0.000) 0.000 23.040 ( 0.000 0.000 0.000) 0.000 23.100 ( 0.000 0.000 0.000) 0.000 23.298 ( 0.000 0.000 0.000) 0.000 23.633 ( 0.000 0.000 0.000) 0.000 23.910 ( 0.000 0.000 0.000) 0.000 25.381 ( 0.000 0.000 0.000) 0.000 25.685 ( 0.000 0.000 0.000) 0.000 26.691 ( 0.000 0.000 0.000) 0.000 27.414 ( 0.000 0.000 0.000) 0.000 27.977 ( 0.000 0.000 0.000) 0.000 29.038 ( 0.000 0.000 0.000) 0.000 29.451 ( 0.000 0.000 0.000) 0.000 29.621 ( 0.000 0.000 0.000) 0.000 30.971 ( 0.000 0.000 0.000) 0.000 31.237 ( 0.000 0.000 0.000) 0.000 31.987 ( 0.000 0.000 0.000) 0.000 32.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 51.700 0.000 0.000) 51.700 1.131 ( 55.465 0.000 0.000) 55.465 1.730 ( 84.340 0.000 0.000) 84.340 3.663 ( -25.725 0.000 0.000) 25.725 4.141 ( -35.640 0.000 0.000) 35.640 6.054 ( -45.323 0.000 0.000) 45.323 6.681 ( 12.820 0.000 0.000) 12.820 7.143 ( 28.583 0.000 0.000) 28.583 7.379 ( 10.117 0.000 0.000) 10.117 7.718 ( -1.617 0.000 0.000) 1.617 7.960 ( -20.205 0.000 0.000) 20.205 8.035 ( -0.306 0.000 0.000) 0.306 8.075 ( 7.883 0.000 0.000) 7.883 8.398 ( -11.149 0.000 0.000) 11.149 8.731 ( -1.885 0.000 0.000) 1.885 9.142 ( 10.550 0.000 0.000) 10.550 9.239 ( -15.740 0.000 0.000) 15.740 9.393 ( -11.101 0.000 0.000) 11.101 9.524 ( 14.838 0.000 0.000) 14.838 10.052 ( 17.691 0.000 0.000) 17.691 10.404 ( -7.270 0.000 0.000) 7.270 10.862 ( -6.358 0.000 0.000) 6.358 11.211 ( 9.076 0.000 0.000) 9.076 11.286 ( 7.846 0.000 0.000) 7.846 11.390 ( 8.520 0.000 0.000) 8.520 11.691 ( -4.234 0.000 0.000) 4.234 11.817 ( -2.712 0.000 0.000) 2.712 11.995 ( -8.244 0.000 0.000) 8.244 12.065 ( 3.714 0.000 0.000) 3.714 12.300 ( -3.519 0.000 0.000) 3.519 12.616 ( 4.313 0.000 0.000) 4.313 12.746 ( 0.079 0.000 0.000) 0.079 13.080 ( -0.866 0.000 0.000) 0.866 13.218 ( -0.621 0.000 0.000) 0.621 13.237 ( -2.410 0.000 0.000) 2.410 13.475 ( -16.891 0.000 0.000) 16.891 13.618 ( 2.202 0.000 0.000) 2.202 13.729 ( -1.160 0.000 0.000) 1.160 14.080 ( 0.814 0.000 0.000) 0.814 14.224 ( 1.553 0.000 0.000) 1.553 14.336 ( 14.241 0.000 0.000) 14.241 14.656 ( 1.101 0.000 0.000) 1.101 14.679 ( 1.390 0.000 0.000) 1.390 14.700 ( 0.127 0.000 0.000) 0.127 14.853 ( 0.778 0.000 0.000) 0.778 15.296 ( -6.121 0.000 0.000) 6.121 15.406 ( 5.662 0.000 0.000) 5.662 15.925 ( -5.906 0.000 0.000) 5.906 16.113 ( -1.124 0.000 0.000) 1.124 16.146 ( -0.737 0.000 0.000) 0.737 16.433 ( 5.136 0.000 0.000) 5.136 16.749 ( 4.752 0.000 0.000) 4.752 16.862 ( -4.657 0.000 0.000) 4.657 17.012 ( -2.045 0.000 0.000) 2.045 17.532 ( 0.108 0.000 0.000) 0.108 17.727 ( -5.593 0.000 0.000) 5.593 18.055 ( 2.723 0.000 0.000) 2.723 18.079 ( 1.005 0.000 0.000) 1.005 20.487 ( 3.878 0.000 0.000) 3.878 20.633 ( 0.060 0.000 0.000) 0.060 20.656 ( -0.823 0.000 0.000) 0.823 20.724 ( 1.527 0.000 0.000) 1.527 20.809 ( -0.762 0.000 0.000) 0.762 20.937 ( -7.284 0.000 0.000) 7.284 22.348 ( 8.762 0.000 0.000) 8.762 22.631 ( 0.170 0.000 0.000) 0.170 22.761 ( -0.182 0.000 0.000) 0.182 23.049 ( -5.051 0.000 0.000) 5.051 23.064 ( 2.175 0.000 0.000) 2.175 23.262 ( -3.091 0.000 0.000) 3.091 23.939 ( 2.645 0.000 0.000) 2.645 24.108 ( -1.532 0.000 0.000) 1.532 25.411 ( 2.797 0.000 0.000) 2.797 25.656 ( -2.766 0.000 0.000) 2.766 27.460 ( 4.440 0.000 0.000) 4.440 27.910 ( -6.152 0.000 0.000) 6.152 29.091 ( 4.785 0.000 0.000) 4.785 29.419 ( -3.052 0.000 0.000) 3.052 29.629 ( 0.841 0.000 0.000) 0.841 29.703 ( -0.818 0.000 0.000) 0.818 30.988 ( 1.658 0.000 0.000) 1.658 31.197 ( -3.575 0.000 0.000) 3.575 32.052 ( 5.904 0.000 0.000) 5.904 32.466 ( -3.964 0.000 0.000) 3.964 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 47.992 0.000 0.000) 47.992 2.233 ( 53.102 0.000 0.000) 53.102 2.977 ( -40.486 0.000 0.000) 40.486 3.234 ( -26.236 0.000 0.000) 26.236 3.424 ( 56.773 0.000 0.000) 56.773 4.885 ( -67.505 0.000 0.000) 67.505 7.028 ( 20.693 0.000 0.000) 20.693 7.486 ( -23.562 0.000 0.000) 23.562 7.573 ( 7.535 0.000 0.000) 7.535 7.680 ( -3.763 0.000 0.000) 3.763 7.767 ( 28.689 0.000 0.000) 28.689 8.022 ( -1.007 0.000 0.000) 1.007 8.226 ( -3.112 0.000 0.000) 3.112 8.352 ( 19.465 0.000 0.000) 19.465 8.483 ( -21.517 0.000 0.000) 21.517 8.809 ( -23.907 0.000 0.000) 23.907 9.298 ( 3.781 0.000 0.000) 3.781 9.305 ( 1.056 0.000 0.000) 1.056 9.875 ( 17.482 0.000 0.000) 17.482 10.192 ( -13.435 0.000 0.000) 13.435 10.401 ( 15.897 0.000 0.000) 15.897 10.679 ( -11.513 0.000 0.000) 11.513 11.450 ( 7.433 0.000 0.000) 7.433 11.457 ( 14.382 0.000 0.000) 14.382 11.575 ( 8.602 0.000 0.000) 8.602 11.583 ( -5.978 0.000 0.000) 5.978 11.732 ( -5.778 0.000 0.000) 5.778 11.763 ( -13.831 0.000 0.000) 13.831 12.160 ( 4.872 0.000 0.000) 4.872 12.238 ( -2.902 0.000 0.000) 2.902 12.696 ( 3.221 0.000 0.000) 3.221 12.738 ( -1.033 0.000 0.000) 1.033 13.075 ( 1.400 0.000 0.000) 1.400 13.188 ( -10.355 0.000 0.000) 10.355 13.202 ( -0.738 0.000 0.000) 0.738 13.204 ( -0.616 0.000 0.000) 0.616 13.662 ( 2.001 0.000 0.000) 2.001 13.699 ( -1.698 0.000 0.000) 1.698 14.115 ( 2.680 0.000 0.000) 2.680 14.180 ( -3.336 0.000 0.000) 3.336 14.623 ( 9.550 0.000 0.000) 9.550 14.681 ( 1.177 0.000 0.000) 1.177 14.698 ( -0.428 0.000 0.000) 0.428 14.699 ( -0.047 0.000 0.000) 0.047 14.914 ( 6.857 0.000 0.000) 6.857 15.119 ( -10.898 0.000 0.000) 10.898 15.561 ( 9.197 0.000 0.000) 9.197 15.758 ( -9.705 0.000 0.000) 9.705 16.109 ( 0.558 0.000 0.000) 0.558 16.127 ( -1.032 0.000 0.000) 1.032 16.571 ( 7.943 0.000 0.000) 7.943 16.734 ( -7.679 0.000 0.000) 7.679 16.856 ( 5.281 0.000 0.000) 5.281 16.950 ( -3.947 0.000 0.000) 3.947 17.549 ( 1.906 0.000 0.000) 1.906 17.616 ( -4.697 0.000 0.000) 4.697 18.096 ( 1.055 0.000 0.000) 1.055 18.099 ( 0.638 0.000 0.000) 0.638 20.600 ( 7.115 0.000 0.000) 7.115 20.636 ( 0.193 0.000 0.000) 0.193 20.642 ( -0.480 0.000 0.000) 0.480 20.757 ( 1.622 0.000 0.000) 1.622 20.765 ( -8.882 0.000 0.000) 8.882 20.787 ( -1.333 0.000 0.000) 1.333 22.541 ( 8.264 0.000 0.000) 8.264 22.627 ( -1.086 0.000 0.000) 1.086 22.778 ( 2.919 0.000 0.000) 2.919 22.906 ( -8.338 0.000 0.000) 8.338 23.121 ( 3.327 0.000 0.000) 3.327 23.192 ( -3.595 0.000 0.000) 3.595 24.002 ( 3.296 0.000 0.000) 3.296 24.064 ( -2.716 0.000 0.000) 2.716 25.487 ( 4.483 0.000 0.000) 4.483 25.580 ( -4.466 0.000 0.000) 4.466 27.585 ( 7.661 0.000 0.000) 7.661 27.754 ( -8.591 0.000 0.000) 8.591 29.209 ( 6.369 0.000 0.000) 6.369 29.332 ( -5.426 0.000 0.000) 5.426 29.652 ( 1.345 0.000 0.000) 1.345 29.680 ( -1.331 0.000 0.000) 1.331 31.037 ( 3.195 0.000 0.000) 3.195 31.114 ( -4.210 0.000 0.000) 4.210 32.199 ( 7.969 0.000 0.000) 7.969 32.354 ( -6.939 0.000 0.000) 6.939 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 53.195 0.000) 53.195 1.170 ( 0.000 60.106 0.000) 60.106 1.948 ( 0.000 98.703 0.000) 98.703 4.297 ( 0.000 34.314 0.000) 34.314 4.564 ( 0.000 11.869 0.000) 11.869 5.951 ( 0.000 -25.849 0.000) 25.849 6.859 ( 0.000 5.628 0.000) 5.628 7.080 ( 0.000 -17.489 0.000) 17.489 7.303 ( 0.000 41.421 0.000) 41.421 7.879 ( 0.000 -4.423 0.000) 4.423 7.899 ( 0.000 -37.955 0.000) 37.955 8.058 ( 0.000 11.272 0.000) 11.272 8.116 ( 0.000 -0.251 0.000) 0.251 8.723 ( 0.000 0.330 0.000) 0.330 8.783 ( 0.000 -9.623 0.000) 9.623 9.181 ( 0.000 23.030 0.000) 23.030 9.417 ( 0.000 12.157 0.000) 12.157 9.672 ( 0.000 -23.466 0.000) 23.466 9.689 ( 0.000 9.177 0.000) 9.177 9.738 ( 0.000 -4.937 0.000) 4.937 10.459 ( 0.000 -1.433 0.000) 1.433 10.989 ( 0.000 -15.948 0.000) 15.948 11.061 ( 0.000 -5.176 0.000) 5.176 11.112 ( 0.000 12.054 0.000) 12.054 11.264 ( 0.000 6.940 0.000) 6.940 11.451 ( 0.000 9.172 0.000) 9.172 11.785 ( 0.000 5.151 0.000) 5.151 11.844 ( 0.000 -0.729 0.000) 0.729 11.976 ( 0.000 -10.619 0.000) 10.619 12.137 ( 0.000 11.103 0.000) 11.103 12.333 ( 0.000 -2.015 0.000) 2.015 12.533 ( 0.000 -1.827 0.000) 1.827 12.847 ( 0.000 -3.332 0.000) 3.332 13.254 ( 0.000 0.619 0.000) 0.619 13.381 ( 0.000 1.701 0.000) 1.701 13.415 ( 0.000 -12.857 0.000) 12.857 13.641 ( 0.000 -7.515 0.000) 7.515 13.703 ( 0.000 -4.632 0.000) 4.632 13.942 ( 0.000 -4.049 0.000) 4.049 14.029 ( 0.000 1.602 0.000) 1.602 14.260 ( 0.000 12.990 0.000) 12.990 14.338 ( 0.000 6.208 0.000) 6.208 14.661 ( 0.000 -0.049 0.000) 0.049 14.676 ( 0.000 0.111 0.000) 0.111 15.035 ( 0.000 14.093 0.000) 14.093 15.311 ( 0.000 -3.381 0.000) 3.381 15.679 ( 0.000 -3.376 0.000) 3.376 15.980 ( 0.000 -12.302 0.000) 12.302 15.986 ( 0.000 0.371 0.000) 0.371 16.464 ( 0.000 4.873 0.000) 4.873 16.713 ( 0.000 2.019 0.000) 2.019 16.836 ( 0.000 1.821 0.000) 1.821 16.894 ( 0.000 2.559 0.000) 2.559 16.990 ( 0.000 -5.489 0.000) 5.489 17.430 ( 0.000 -9.800 0.000) 9.800 17.497 ( 0.000 -15.881 0.000) 15.881 18.017 ( 0.000 -4.135 0.000) 4.135 18.269 ( 0.000 17.796 0.000) 17.796 19.951 ( 0.000 -27.702 0.000) 27.702 20.260 ( 0.000 -6.443 0.000) 6.443 20.801 ( 0.000 8.368 0.000) 8.368 20.939 ( 0.000 11.969 0.000) 11.969 21.115 ( 0.000 26.192 0.000) 26.192 21.686 ( 0.000 -1.936 0.000) 1.936 22.298 ( 0.000 4.895 0.000) 4.895 22.647 ( 0.000 1.811 0.000) 1.811 22.768 ( 0.000 0.755 0.000) 0.755 23.030 ( 0.000 -1.036 0.000) 1.036 23.104 ( 0.000 0.569 0.000) 0.569 23.260 ( 0.000 -3.723 0.000) 3.723 23.605 ( 0.000 -2.868 0.000) 2.868 23.944 ( 0.000 3.378 0.000) 3.378 25.377 ( 0.000 -0.435 0.000) 0.435 25.633 ( 0.000 -4.744 0.000) 4.744 26.532 ( 0.000 -15.019 0.000) 15.019 27.637 ( 0.000 -30.981 0.000) 30.981 29.204 ( 0.000 15.568 0.000) 15.568 29.602 ( 0.000 14.373 0.000) 14.373 29.782 ( 0.000 13.165 0.000) 13.165 30.958 ( 0.000 -1.311 0.000) 1.311 31.251 ( 0.000 1.478 0.000) 1.478 31.966 ( 0.000 -2.096 0.000) 2.096 32.193 ( 0.000 -3.502 0.000) 3.502 32.223 ( 0.000 -1.745 0.000) 1.745 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 37.393 35.563 0.000) 51.604 1.624 ( 38.280 42.932 0.000) 57.520 2.593 ( 54.280 73.218 0.000) 91.144 3.970 ( -29.331 27.984 0.000) 40.539 4.249 ( -30.804 12.343 0.000) 33.184 5.834 ( -18.574 -10.355 0.000) 21.266 7.120 ( -4.339 14.638 0.000) 15.268 7.134 ( 24.976 2.318 0.000) 25.083 7.218 ( 7.028 2.154 0.000) 7.351 7.711 ( -13.567 -27.384 0.000) 30.560 7.904 ( 2.137 -3.828 0.000) 4.384 7.942 ( -7.977 13.463 0.000) 15.648 8.168 ( 5.391 -0.159 0.000) 5.393 8.507 ( -18.641 8.481 0.000) 20.479 8.737 ( -1.964 0.553 0.000) 2.041 9.145 ( -5.054 -4.396 0.000) 6.698 9.369 ( -12.286 -2.302 0.000) 12.500 9.371 ( -11.062 9.529 0.000) 14.600 9.604 ( 14.652 8.298 0.000) 16.838 10.135 ( 20.418 8.020 0.000) 21.937 10.402 ( -5.544 0.418 0.000) 5.560 10.962 ( -7.394 10.984 0.000) 13.241 11.135 ( 7.470 -6.734 0.000) 10.057 11.201 ( 10.531 -20.804 0.000) 23.318 11.336 ( 5.876 4.360 0.000) 7.317 11.656 ( -1.303 -3.136 0.000) 3.396 11.793 ( -4.705 -3.023 0.000) 5.593 11.865 ( -5.657 -12.738 0.000) 13.938 12.015 ( 7.316 -3.912 0.000) 8.297 12.292 ( -2.924 -1.019 0.000) 3.096 12.414 ( 18.145 -7.294 0.000) 19.556 12.571 ( 2.683 -3.309 0.000) 4.260 12.906 ( 5.174 -3.734 0.000) 6.380 13.224 ( -3.223 -2.879 0.000) 4.322 13.294 ( -3.578 1.077 0.000) 3.736 13.434 ( -11.544 0.485 0.000) 11.554 13.528 ( 5.086 -8.296 0.000) 9.731 13.732 ( -1.213 -1.490 0.000) 1.921 14.080 ( 8.511 -10.323 0.000) 13.380 14.165 ( 7.369 -6.202 0.000) 9.632 14.302 ( 5.269 6.125 0.000) 8.079 14.362 ( 3.454 5.215 0.000) 6.255 14.682 ( 1.766 0.387 0.000) 1.808 14.687 ( 1.032 0.835 0.000) 1.328 15.067 ( 3.736 15.828 0.000) 16.263 15.368 ( 5.418 -3.647 0.000) 6.532 15.649 ( -3.978 3.384 0.000) 5.223 15.873 ( -6.992 -6.655 0.000) 9.653 16.048 ( 2.650 -3.257 0.000) 4.199 16.468 ( -19.976 17.341 0.000) 26.452 16.490 ( 3.181 3.700 0.000) 4.879 16.770 ( 4.865 2.098 0.000) 5.299 16.875 ( -4.377 0.665 0.000) 4.427 17.024 ( -0.656 0.003 0.000) 0.656 17.438 ( 0.826 -9.363 0.000) 9.400 17.569 ( 2.420 -19.392 0.000) 19.542 18.013 ( -0.431 -5.111 0.000) 5.129 18.053 ( -10.365 12.922 0.000) 16.566 19.986 ( 3.477 -27.071 0.000) 27.294 20.301 ( -0.173 -15.573 0.000) 15.574 20.759 ( -1.756 8.981 0.000) 9.151 20.901 ( -3.110 11.878 0.000) 12.279 21.156 ( 3.388 26.068 0.000) 26.287 21.495 ( -10.247 19.282 0.000) 21.835 22.376 ( 7.976 3.534 0.000) 8.724 22.649 ( 0.174 1.809 0.000) 1.817 22.764 ( -0.217 0.571 0.000) 0.611 23.050 ( 1.983 -1.275 0.000) 2.358 23.052 ( -5.138 0.529 0.000) 5.165 23.229 ( -2.643 -3.235 0.000) 4.177 23.876 ( 12.322 -13.562 0.000) 18.324 23.963 ( 1.693 2.397 0.000) 2.934 25.385 ( 1.591 -1.427 0.000) 2.137 25.605 ( -2.696 -4.661 0.000) 5.384 26.809 ( 19.100 -31.702 0.000) 37.011 27.571 ( -6.226 -30.737 0.000) 31.362 29.248 ( 4.119 15.005 0.000) 15.560 29.568 ( -3.271 14.206 0.000) 14.577 29.816 ( 3.451 15.136 0.000) 15.525 30.837 ( -32.320 25.286 0.000) 41.037 31.096 ( -21.665 28.639 0.000) 35.911 31.211 ( -3.458 1.657 0.000) 3.834 32.029 ( 5.705 -2.314 0.000) 6.157 32.410 ( -1.798 -5.215 0.000) 5.516 ======================= Grid point 7 (6/105) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 44.890 22.911 0.000) 50.399 2.508 ( 46.089 26.740 0.000) 53.284 3.233 ( -41.121 22.491 0.000) 46.870 3.452 ( -43.306 19.633 0.000) 47.549 3.844 ( 63.360 43.403 0.000) 76.800 5.067 ( -53.547 20.398 0.000) 57.300 7.178 ( 10.198 3.706 0.000) 10.850 7.433 ( -13.425 -18.185 0.000) 22.603 7.451 ( 12.675 -4.424 0.000) 13.424 7.629 ( 7.540 1.361 0.000) 7.661 7.813 ( 5.678 8.216 0.000) 9.987 7.943 ( 0.823 -1.587 0.000) 1.788 8.245 ( -4.169 5.510 0.000) 6.910 8.369 ( 11.314 -2.946 0.000) 11.691 8.506 ( -15.123 1.893 0.000) 15.241 8.803 ( -22.041 -6.433 0.000) 22.961 9.295 ( 2.625 -0.396 0.000) 2.655 9.334 ( 0.161 5.305 0.000) 5.308 9.930 ( 16.040 5.464 0.000) 16.945 10.216 ( -11.569 2.089 0.000) 11.756 10.516 ( 15.488 11.707 0.000) 19.415 10.780 ( -10.774 10.433 0.000) 14.997 11.351 ( 12.844 -8.704 0.000) 15.515 11.388 ( 6.688 -17.333 0.000) 18.579 11.436 ( 2.839 -4.811 0.000) 5.586 11.596 ( -5.373 -2.336 0.000) 5.858 11.676 ( -8.601 -7.074 0.000) 11.136 11.683 ( -5.049 -3.765 0.000) 6.299 12.145 ( 5.662 -1.339 0.000) 5.818 12.234 ( -3.182 -0.555 0.000) 3.230 12.596 ( 3.081 -8.530 0.000) 9.070 12.611 ( 0.970 -5.836 0.000) 5.916 13.006 ( 4.397 -3.162 0.000) 5.417 13.114 ( -6.613 -5.516 0.000) 8.612 13.252 ( -0.442 4.087 0.000) 4.111 13.281 ( -3.619 6.839 0.000) 7.737 13.610 ( 3.607 -4.999 0.000) 6.164 13.681 ( -3.281 -2.433 0.000) 4.084 14.175 ( 2.514 -0.936 0.000) 2.683 14.213 ( -0.933 -1.316 0.000) 1.613 14.431 ( 4.791 -7.297 0.000) 8.729 14.455 ( 2.685 -5.608 0.000) 6.217 14.712 ( 1.028 1.625 0.000) 1.923 14.713 ( 0.945 1.057 0.000) 1.418 15.218 ( 11.446 19.694 0.000) 22.779 15.479 ( -11.530 16.047 0.000) 19.760 15.518 ( 7.973 -3.133 0.000) 8.566 15.704 ( -9.279 -5.430 0.000) 10.751 16.101 ( 2.880 0.027 0.000) 2.880 16.193 ( -7.570 7.407 0.000) 10.591 16.598 ( 7.049 1.927 0.000) 7.307 16.751 ( -7.428 1.054 0.000) 7.502 16.879 ( 5.370 2.231 0.000) 5.815 16.974 ( -3.839 2.101 0.000) 4.376 17.470 ( 2.461 -8.940 0.000) 9.272 17.538 ( -3.854 -11.145 0.000) 11.792 17.975 ( 0.446 -3.953 0.000) 3.978 17.998 ( -1.141 -6.736 0.000) 6.832 20.086 ( 6.184 -25.102 0.000) 25.852 20.221 ( -6.428 -21.658 0.000) 22.591 20.770 ( 2.316 9.529 0.000) 9.806 20.832 ( -3.475 10.672 0.000) 11.224 21.237 ( 4.503 26.465 0.000) 26.846 21.340 ( -5.900 25.638 0.000) 26.308 22.561 ( 8.244 2.379 0.000) 8.581 22.646 ( -0.974 1.929 0.000) 2.161 22.778 ( 2.718 0.354 0.000) 2.741 22.906 ( -8.463 0.396 0.000) 8.472 23.103 ( 3.073 -1.738 0.000) 3.530 23.168 ( -3.205 -2.364 0.000) 3.983 23.998 ( 1.392 -0.323 0.000) 1.429 24.001 ( 1.836 -5.565 0.000) 5.860 25.445 ( 3.995 -3.377 0.000) 5.231 25.532 ( -4.273 -4.314 0.000) 6.072 27.148 ( 14.246 -33.554 0.000) 36.453 27.398 ( -10.602 -31.206 0.000) 32.958 29.355 ( 6.061 14.200 0.000) 15.439 29.477 ( -5.573 13.988 0.000) 15.057 29.932 ( 8.514 21.933 0.000) 23.528 30.203 ( -20.260 35.803 0.000) 41.138 31.061 ( 2.698 3.323 0.000) 4.281 31.131 ( -4.038 2.129 0.000) 4.565 32.171 ( 7.663 -2.834 0.000) 8.170 32.318 ( -6.444 -3.565 0.000) 7.365 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 54.172 0.000) 54.172 2.348 ( 0.000 60.489 0.000) 60.489 3.832 ( 0.000 93.521 0.000) 93.521 4.903 ( 0.000 22.574 0.000) 22.574 5.134 ( 0.000 46.327 0.000) 46.327 5.552 ( 0.000 -14.903 0.000) 14.903 6.695 ( 0.000 -18.015 0.000) 18.015 6.984 ( 0.000 -4.654 0.000) 4.654 7.144 ( 0.000 -27.542 0.000) 27.542 7.564 ( 0.000 -29.168 0.000) 29.168 8.133 ( 0.000 42.279 0.000) 42.279 8.215 ( 0.000 11.269 0.000) 11.269 8.248 ( 0.000 -0.655 0.000) 0.655 8.558 ( 0.000 -13.224 0.000) 13.224 8.727 ( 0.000 -0.025 0.000) 0.025 9.084 ( 0.000 -11.404 0.000) 11.404 9.586 ( 0.000 -10.659 0.000) 10.659 9.688 ( 0.000 14.583 0.000) 14.583 9.766 ( 0.000 20.759 0.000) 20.759 9.929 ( 0.000 13.618 0.000) 13.618 10.448 ( 0.000 0.899 0.000) 0.899 10.572 ( 0.000 -27.912 0.000) 27.912 10.947 ( 0.000 -5.448 0.000) 5.448 11.282 ( 0.000 5.791 0.000) 5.791 11.441 ( 0.000 9.620 0.000) 9.620 11.509 ( 0.000 -12.863 0.000) 12.863 11.773 ( 0.000 -0.168 0.000) 0.168 11.780 ( 0.000 -6.468 0.000) 6.468 11.936 ( 0.000 10.026 0.000) 10.026 12.276 ( 0.000 -2.988 0.000) 2.988 12.425 ( 0.000 16.583 0.000) 16.583 12.508 ( 0.000 -0.983 0.000) 0.983 12.756 ( 0.000 -5.956 0.000) 5.956 13.111 ( 0.000 -14.017 0.000) 14.017 13.188 ( 0.000 -9.979 0.000) 9.979 13.427 ( 0.000 2.979 0.000) 2.979 13.549 ( 0.000 -10.544 0.000) 10.544 13.656 ( 0.000 8.508 0.000) 8.508 13.845 ( 0.000 -5.240 0.000) 5.240 14.078 ( 0.000 2.986 0.000) 2.986 14.496 ( 0.000 9.176 0.000) 9.176 14.501 ( 0.000 10.804 0.000) 10.804 14.663 ( 0.000 0.320 0.000) 0.320 14.707 ( 0.000 2.715 0.000) 2.715 15.233 ( 0.000 -4.029 0.000) 4.029 15.279 ( 0.000 8.954 0.000) 8.954 15.583 ( 0.000 -6.355 0.000) 6.355 15.719 ( 0.000 -13.726 0.000) 13.726 15.990 ( 0.000 0.019 0.000) 0.019 16.492 ( 0.000 -3.053 0.000) 3.053 16.771 ( 0.000 3.777 0.000) 3.777 16.849 ( 0.000 -8.111 0.000) 8.111 16.870 ( 0.000 0.706 0.000) 0.706 16.960 ( 0.000 3.648 0.000) 3.648 17.209 ( 0.000 -10.764 0.000) 10.764 17.210 ( 0.000 -12.296 0.000) 12.296 17.967 ( 0.000 0.651 0.000) 0.651 18.631 ( 0.000 18.939 0.000) 18.939 19.460 ( 0.000 -22.534 0.000) 22.534 20.114 ( 0.000 -8.396 0.000) 8.396 20.983 ( 0.000 9.541 0.000) 9.541 21.249 ( 0.000 18.630 0.000) 18.630 21.551 ( 0.000 18.003 0.000) 18.003 21.630 ( 0.000 -3.684 0.000) 3.684 22.436 ( 0.000 9.076 0.000) 9.076 22.696 ( 0.000 3.192 0.000) 3.192 22.788 ( 0.000 1.358 0.000) 1.358 23.001 ( 0.000 -1.860 0.000) 1.860 23.137 ( 0.000 3.178 0.000) 3.178 23.167 ( 0.000 -5.087 0.000) 5.087 23.520 ( 0.000 -5.944 0.000) 5.944 24.028 ( 0.000 4.642 0.000) 4.642 25.367 ( 0.000 -0.391 0.000) 0.391 25.528 ( 0.000 -5.387 0.000) 5.387 26.173 ( 0.000 -20.014 0.000) 20.014 26.911 ( 0.000 -40.555 0.000) 40.555 29.567 ( 0.000 19.568 0.000) 19.568 29.950 ( 0.000 19.734 0.000) 19.734 30.027 ( 0.000 10.568 0.000) 10.568 30.923 ( 0.000 -2.161 0.000) 2.161 31.301 ( 0.000 3.826 0.000) 3.826 31.907 ( 0.000 -3.908 0.000) 3.908 32.103 ( 0.000 -5.323 0.000) 5.323 32.171 ( 0.000 -3.575 0.000) 3.575 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 20.686 46.578 0.000) 50.965 2.597 ( 23.176 54.153 0.000) 58.904 4.181 ( 31.767 84.530 0.000) 90.303 4.533 ( -39.822 23.729 0.000) 46.356 4.621 ( -25.803 25.263 0.000) 36.111 5.888 ( 11.074 17.828 0.000) 20.987 6.700 ( 1.147 -24.670 0.000) 24.697 6.997 ( -5.630 -38.485 0.000) 38.894 7.259 ( 17.362 5.744 0.000) 18.287 7.602 ( 3.257 -25.280 0.000) 25.489 7.973 ( -10.180 39.616 0.000) 40.903 8.160 ( -6.568 -0.567 0.000) 6.593 8.247 ( 2.348 10.322 0.000) 10.586 8.513 ( -6.040 -6.335 0.000) 8.752 8.756 ( -1.064 1.337 0.000) 1.708 8.912 ( -13.891 -6.415 0.000) 15.300 9.299 ( -11.312 -5.294 0.000) 12.490 9.671 ( -7.250 18.089 0.000) 19.488 9.818 ( 10.977 12.160 0.000) 16.382 10.261 ( 12.227 1.629 0.000) 12.335 10.491 ( 9.274 10.011 0.000) 13.647 10.683 ( 8.612 -30.272 0.000) 31.473 10.987 ( 4.263 -6.995 0.000) 8.192 11.234 ( -4.103 12.872 0.000) 13.510 11.407 ( -5.365 -0.754 0.000) 5.418 11.508 ( -2.442 -20.208 0.000) 20.355 11.678 ( -4.560 2.863 0.000) 5.384 11.710 ( -4.148 -2.731 0.000) 4.966 12.031 ( 5.582 4.989 0.000) 7.487 12.260 ( -1.404 -1.696 0.000) 2.202 12.464 ( 2.660 5.109 0.000) 5.760 12.523 ( 0.920 -1.979 0.000) 2.183 12.854 ( 7.296 -1.477 0.000) 7.444 13.068 ( -3.228 -10.426 0.000) 10.915 13.259 ( 6.116 -5.969 0.000) 8.546 13.423 ( 0.162 0.266 0.000) 0.312 13.525 ( -2.941 0.479 0.000) 2.980 13.647 ( -1.412 -1.099 0.000) 1.789 13.907 ( 5.600 -6.819 0.000) 8.823 14.086 ( 0.749 -1.156 0.000) 1.378 14.482 ( -1.042 8.642 0.000) 8.705 14.496 ( -0.043 7.461 0.000) 7.462 14.697 ( 2.573 1.223 0.000) 2.849 14.730 ( 1.736 3.145 0.000) 3.592 15.282 ( 4.645 -4.559 0.000) 6.509 15.333 ( 5.600 9.274 0.000) 10.833 15.604 ( 1.646 -5.657 0.000) 5.892 15.677 ( -4.061 -11.747 0.000) 12.429 16.029 ( 3.670 0.481 0.000) 3.702 16.513 ( 2.460 -2.576 0.000) 3.562 16.660 ( -13.183 4.052 0.000) 13.792 16.823 ( 4.577 3.021 0.000) 5.485 16.844 ( -3.848 -4.395 0.000) 5.841 17.021 ( 2.213 0.808 0.000) 2.355 17.212 ( 0.315 -11.468 0.000) 11.473 17.218 ( 0.598 -14.121 0.000) 14.134 17.964 ( -0.118 1.765 0.000) 1.769 18.408 ( -17.359 20.492 0.000) 26.856 19.510 ( 4.952 -21.791 0.000) 22.346 20.050 ( -6.763 -11.692 0.000) 13.507 20.962 ( -0.143 11.109 0.000) 11.110 21.199 ( -4.269 17.770 0.000) 18.275 21.589 ( 3.139 17.643 0.000) 17.920 21.675 ( 2.546 2.187 0.000) 3.356 22.499 ( 6.140 8.826 0.000) 10.751 22.699 ( 0.186 3.169 0.000) 3.175 22.786 ( -0.081 1.704 0.000) 1.706 23.017 ( 1.506 -2.097 0.000) 2.582 23.088 ( -5.097 3.723 0.000) 6.312 23.147 ( -1.597 -4.846 0.000) 5.103 23.666 ( 11.491 -9.192 0.000) 14.715 24.023 ( -0.720 3.113 0.000) 3.195 25.364 ( 0.103 -0.648 0.000) 0.656 25.503 ( -2.364 -5.159 0.000) 5.675 26.277 ( 9.250 -24.523 0.000) 26.209 26.859 ( -5.072 -39.355 0.000) 39.680 29.600 ( 3.208 19.022 0.000) 19.291 29.910 ( -3.802 19.249 0.000) 19.621 30.094 ( 6.713 11.709 0.000) 13.497 30.894 ( -4.209 -2.020 0.000) 4.668 31.270 ( -2.629 4.586 0.000) 5.286 31.606 ( -29.472 14.445 0.000) 32.821 31.964 ( 5.142 -4.322 0.000) 6.717 32.285 ( 0.069 -7.270 0.000) 7.271 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 35.581 32.347 0.000) 48.086 3.196 ( 32.562 41.656 0.000) 52.873 3.707 ( -39.074 24.624 0.000) 46.185 3.967 ( -36.049 32.491 0.000) 48.530 4.971 ( 42.321 67.199 0.000) 79.415 5.724 ( -26.993 45.253 0.000) 52.692 6.750 ( 3.492 -32.534 0.000) 32.721 6.852 ( -6.798 -36.464 0.000) 37.092 7.642 ( 13.212 -2.150 0.000) 13.386 7.671 ( 4.051 -8.410 0.000) 9.335 7.962 ( 9.438 17.622 0.000) 19.990 8.071 ( 0.718 5.471 0.000) 5.518 8.280 ( -2.350 -1.007 0.000) 2.557 8.296 ( -13.304 -0.243 0.000) 13.306 8.583 ( -9.032 6.546 0.000) 11.154 8.641 ( -10.891 0.908 0.000) 10.929 9.316 ( 8.968 2.518 0.000) 9.315 9.510 ( -8.838 11.411 0.000) 14.433 10.063 ( 11.832 7.360 0.000) 13.934 10.256 ( -6.624 1.492 0.000) 6.790 10.806 ( 13.666 14.007 0.000) 19.569 10.859 ( 7.607 -23.584 0.000) 24.781 11.128 ( 9.107 -12.982 0.000) 15.858 11.131 ( -5.022 11.453 0.000) 12.506 11.207 ( -10.697 -16.338 0.000) 19.528 11.361 ( -10.851 -18.078 0.000) 21.084 11.655 ( 1.023 2.630 0.000) 2.822 11.675 ( -0.584 3.190 0.000) 3.243 12.136 ( 4.846 1.054 0.000) 4.959 12.218 ( -3.016 -0.681 0.000) 3.092 12.508 ( 1.583 -2.728 0.000) 3.154 12.529 ( -0.433 -3.463 0.000) 3.490 12.966 ( 3.420 -0.817 0.000) 3.516 13.013 ( -2.035 -4.195 0.000) 4.663 13.369 ( 3.810 7.673 0.000) 8.567 13.445 ( -4.214 7.920 0.000) 8.971 13.468 ( 4.796 -9.324 0.000) 10.485 13.579 ( -5.106 -7.068 0.000) 8.719 14.027 ( 5.088 -8.481 0.000) 9.890 14.089 ( -1.052 -6.757 0.000) 6.839 14.477 ( 0.501 5.893 0.000) 5.914 14.491 ( -0.537 5.262 0.000) 5.290 14.741 ( 1.520 1.635 0.000) 2.232 14.754 ( 0.336 2.436 0.000) 2.459 15.406 ( 7.183 -6.101 0.000) 9.424 15.486 ( 7.119 4.784 0.000) 8.577 15.567 ( -5.531 -6.944 0.000) 8.878 15.613 ( -1.941 -1.597 0.000) 2.513 16.141 ( 7.980 4.089 0.000) 8.967 16.370 ( -14.175 8.081 0.000) 16.317 16.601 ( 6.025 -2.699 0.000) 6.602 16.735 ( -6.569 -3.550 0.000) 7.467 16.929 ( 5.312 2.375 0.000) 5.819 17.015 ( -2.651 1.795 0.000) 3.201 17.220 ( 0.395 -13.521 0.000) 13.527 17.225 ( -0.018 -15.587 0.000) 15.587 17.981 ( 2.495 6.190 0.000) 6.674 18.104 ( -10.652 14.786 0.000) 18.223 19.654 ( 9.070 -19.648 0.000) 21.640 19.861 ( -10.748 -16.256 0.000) 19.488 21.004 ( 3.908 13.683 0.000) 14.230 21.100 ( -5.161 15.948 0.000) 16.763 21.654 ( 2.874 15.583 0.000) 15.846 21.693 ( -0.722 10.610 0.000) 10.634 22.645 ( 6.234 6.181 0.000) 8.779 22.699 ( -0.382 3.405 0.000) 3.426 22.806 ( 3.359 2.998 0.000) 4.502 22.944 ( -8.384 4.228 0.000) 9.390 23.058 ( 2.387 -2.825 0.000) 3.698 23.107 ( -2.311 -3.708 0.000) 4.369 23.877 ( 8.107 -7.046 0.000) 10.741 23.987 ( -3.185 -1.194 0.000) 3.402 25.386 ( 2.080 -2.289 0.000) 3.093 25.443 ( -3.253 -4.191 0.000) 5.306 26.497 ( 11.482 -31.452 0.000) 33.482 26.712 ( -9.281 -36.240 0.000) 37.410 29.691 ( 5.472 18.257 0.000) 19.060 29.809 ( -5.825 18.401 0.000) 19.301 30.304 ( 14.182 13.615 0.000) 19.660 30.655 ( -18.627 8.909 0.000) 20.648 31.217 ( -2.040 7.046 0.000) 7.336 31.231 ( -5.963 14.041 0.000) 15.255 32.091 ( 6.867 -5.227 0.000) 8.630 32.221 ( -5.421 -6.236 0.000) 8.263 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 0.000 54.589 0.000) 54.589 3.526 ( 0.000 59.917 0.000) 59.917 5.372 ( 0.000 -3.575 0.000) 3.575 5.430 ( 0.000 30.918 0.000) 30.918 5.555 ( 0.000 79.511 0.000) 79.511 5.744 ( 0.000 5.168 0.000) 5.168 6.213 ( 0.000 -44.989 0.000) 44.989 6.549 ( 0.000 -10.108 0.000) 10.108 6.985 ( 0.000 -5.435 0.000) 5.435 7.278 ( 0.000 12.064 0.000) 12.064 7.860 ( 0.000 -28.363 0.000) 28.363 8.270 ( 0.000 -16.232 0.000) 16.232 8.456 ( 0.000 11.851 0.000) 11.851 8.691 ( 0.000 -2.961 0.000) 2.961 8.831 ( 0.000 17.198 0.000) 17.198 9.286 ( 0.000 24.487 0.000) 24.487 9.403 ( 0.000 1.103 0.000) 1.103 9.847 ( 0.000 -40.054 0.000) 40.054 9.968 ( 0.000 6.673 0.000) 6.673 10.115 ( 0.000 13.708 0.000) 13.708 10.133 ( 0.000 4.910 0.000) 4.910 10.545 ( 0.000 10.780 0.000) 10.780 10.888 ( 0.000 0.236 0.000) 0.236 11.054 ( 0.000 -27.550 0.000) 27.550 11.394 ( 0.000 7.128 0.000) 7.128 11.523 ( 0.000 -3.954 0.000) 3.954 11.590 ( 0.000 -12.656 0.000) 12.656 11.878 ( 0.000 4.189 0.000) 4.189 12.160 ( 0.000 12.380 0.000) 12.380 12.285 ( 0.000 4.780 0.000) 4.780 12.458 ( 0.000 -4.624 0.000) 4.624 12.628 ( 0.000 -6.229 0.000) 6.229 12.709 ( 0.000 10.940 0.000) 10.940 12.844 ( 0.000 -10.234 0.000) 10.234 13.014 ( 0.000 -8.239 0.000) 8.239 13.327 ( 0.000 -11.602 0.000) 11.602 13.501 ( 0.000 4.794 0.000) 4.794 13.759 ( 0.000 -3.416 0.000) 3.416 13.862 ( 0.000 10.953 0.000) 10.953 14.128 ( 0.000 1.728 0.000) 1.728 14.661 ( 0.000 5.245 0.000) 5.245 14.673 ( 0.000 8.493 0.000) 8.493 14.673 ( 0.000 0.739 0.000) 0.739 14.772 ( 0.000 3.619 0.000) 3.619 15.179 ( 0.000 -0.906 0.000) 0.906 15.354 ( 0.000 -0.853 0.000) 0.853 15.443 ( 0.000 -7.513 0.000) 7.513 15.467 ( 0.000 -11.418 0.000) 11.418 15.991 ( 0.000 0.365 0.000) 0.365 16.341 ( 0.000 -11.005 0.000) 11.005 16.699 ( 0.000 -6.440 0.000) 6.440 16.808 ( 0.000 -7.101 0.000) 7.101 16.853 ( 0.000 4.421 0.000) 4.421 17.028 ( 0.000 3.059 0.000) 3.059 17.065 ( 0.000 -4.249 0.000) 4.249 17.076 ( 0.000 -1.448 0.000) 1.448 18.078 ( 0.000 10.594 0.000) 10.594 19.002 ( 0.000 18.920 0.000) 18.920 19.057 ( 0.000 -19.226 0.000) 19.226 19.927 ( 0.000 -11.025 0.000) 11.025 21.159 ( 0.000 8.379 0.000) 8.379 21.544 ( 0.000 -5.052 0.000) 5.052 21.611 ( 0.000 16.934 0.000) 16.934 21.816 ( 0.000 9.296 0.000) 9.296 22.644 ( 0.000 11.952 0.000) 11.952 22.767 ( 0.000 4.019 0.000) 4.019 22.820 ( 0.000 1.811 0.000) 1.811 22.960 ( 0.000 -2.248 0.000) 2.248 23.055 ( 0.000 -5.667 0.000) 5.667 23.276 ( 0.000 11.326 0.000) 11.326 23.371 ( 0.000 -9.365 0.000) 9.365 24.083 ( 0.000 -0.507 0.000) 0.507 25.369 ( 0.000 0.798 0.000) 0.798 25.440 ( 0.000 -3.297 0.000) 3.297 25.805 ( 0.000 -16.682 0.000) 16.682 26.144 ( 0.000 -35.760 0.000) 35.760 29.908 ( 0.000 14.439 0.000) 14.439 30.174 ( 0.000 4.438 0.000) 4.438 30.326 ( 0.000 17.795 0.000) 17.795 30.873 ( 0.000 -3.100 0.000) 3.100 31.403 ( 0.000 6.563 0.000) 6.563 31.815 ( 0.000 -5.500 0.000) 5.500 32.005 ( 0.000 -4.194 0.000) 4.194 32.087 ( 0.000 -4.813 0.000) 4.813 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 10.359 50.318 0.000) 51.373 3.686 ( 15.173 56.570 0.000) 58.570 4.862 ( -33.649 13.475 0.000) 36.247 5.197 ( -20.580 33.801 0.000) 39.573 5.779 ( 19.726 70.472 0.000) 73.181 5.998 ( 8.673 -20.521 0.000) 22.279 6.175 ( -2.933 -39.376 0.000) 39.486 6.589 ( 4.634 -1.788 0.000) 4.967 7.065 ( 7.130 -2.040 0.000) 7.416 7.383 ( 6.543 0.122 0.000) 6.545 7.813 ( -0.869 -19.275 0.000) 19.294 8.324 ( 3.695 -12.098 0.000) 12.650 8.432 ( -2.538 8.099 0.000) 8.488 8.752 ( -5.645 24.753 0.000) 25.388 8.791 ( -0.086 9.191 0.000) 9.191 9.159 ( -8.339 -5.955 0.000) 10.247 9.171 ( -9.972 24.709 0.000) 26.646 9.908 ( 1.448 -22.094 0.000) 22.142 10.011 ( 3.783 -1.445 0.000) 4.049 10.073 ( 0.117 2.196 0.000) 2.199 10.220 ( 2.734 -5.414 0.000) 6.065 10.670 ( 9.022 4.834 0.000) 10.235 10.949 ( 5.906 4.867 0.000) 7.653 11.023 ( -2.628 -25.878 0.000) 26.011 11.230 ( -17.504 -12.804 0.000) 21.687 11.436 ( 2.652 8.053 0.000) 8.478 11.719 ( 3.968 -1.170 0.000) 4.137 11.819 ( -4.570 7.473 0.000) 8.759 12.172 ( 0.956 8.832 0.000) 8.884 12.273 ( -1.215 3.751 0.000) 3.943 12.453 ( -0.730 -5.567 0.000) 5.615 12.484 ( -6.030 -2.757 0.000) 6.630 12.874 ( 7.736 2.760 0.000) 8.213 12.882 ( 3.348 -7.182 0.000) 7.924 13.107 ( 7.891 -8.424 0.000) 11.542 13.335 ( 0.347 -12.165 0.000) 12.170 13.500 ( 0.434 6.235 0.000) 6.250 13.805 ( 4.184 -3.898 0.000) 5.719 13.809 ( -4.927 10.556 0.000) 11.649 14.088 ( -3.509 0.425 0.000) 3.534 14.610 ( -2.247 4.487 0.000) 5.019 14.638 ( -2.310 7.008 0.000) 7.379 14.724 ( 2.379 1.041 0.000) 2.596 14.795 ( 0.987 3.039 0.000) 3.195 15.216 ( 3.449 -1.589 0.000) 3.798 15.398 ( 3.771 -1.852 0.000) 4.201 15.460 ( -0.788 -9.615 0.000) 9.647 15.467 ( 2.139 -7.697 0.000) 7.988 16.049 ( 5.694 1.354 0.000) 5.853 16.377 ( 3.558 -10.103 0.000) 10.711 16.646 ( -5.837 -4.109 0.000) 7.139 16.737 ( -5.694 -6.236 0.000) 8.445 16.883 ( 2.802 3.169 0.000) 4.230 17.040 ( 0.667 -0.095 0.000) 0.673 17.061 ( -0.304 -4.115 0.000) 4.126 17.066 ( -1.005 -0.897 0.000) 1.347 18.105 ( 2.911 12.201 0.000) 12.543 18.811 ( -16.340 20.374 0.000) 26.117 19.118 ( 5.994 -18.919 0.000) 19.846 19.813 ( -10.499 -12.986 0.000) 16.699 21.178 ( 2.961 10.804 0.000) 11.202 21.548 ( -5.386 16.691 0.000) 17.538 21.650 ( 7.774 -3.893 0.000) 8.694 21.838 ( 1.320 7.943 0.000) 8.052 22.700 ( 4.695 10.959 0.000) 11.923 22.769 ( 0.118 3.949 0.000) 3.950 22.832 ( 1.674 3.336 0.000) 3.732 22.970 ( 0.941 -2.562 0.000) 2.730 23.046 ( -0.860 -5.242 0.000) 5.312 23.230 ( -4.532 11.362 0.000) 12.233 23.478 ( 9.794 -10.564 0.000) 14.405 24.045 ( -3.867 -2.222 0.000) 4.460 25.365 ( -0.281 0.919 0.000) 0.961 25.421 ( -1.623 -2.759 0.000) 3.201 25.851 ( 4.187 -18.645 0.000) 19.110 26.125 ( -1.990 -33.778 0.000) 33.837 29.934 ( 2.731 14.427 0.000) 14.683 30.247 ( 7.047 3.982 0.000) 8.094 30.274 ( -4.803 17.195 0.000) 17.853 30.837 ( -4.017 -3.761 0.000) 5.503 31.393 ( -0.634 7.824 0.000) 7.850 31.773 ( -15.490 5.136 0.000) 16.319 31.862 ( 4.266 -6.106 0.000) 7.449 32.136 ( -0.199 -7.794 0.000) 7.797 ======================= Grid point 17 (12/105) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 22.803 39.126 0.000) 45.286 4.037 ( 2.143 39.748 0.000) 39.805 4.251 ( -8.994 35.640 0.000) 36.757 4.690 ( -27.553 40.744 0.000) 49.186 6.050 ( -0.291 -34.822 0.000) 34.823 6.055 ( -0.050 -33.557 0.000) 33.557 6.321 ( 22.265 52.796 0.000) 57.299 6.638 ( -4.770 23.429 0.000) 23.910 7.212 ( 6.707 -9.520 0.000) 11.646 7.362 ( -7.257 -23.433 0.000) 24.531 7.983 ( 15.712 0.686 0.000) 15.727 8.307 ( -12.587 1.570 0.000) 12.684 8.374 ( 1.368 0.693 0.000) 1.534 8.457 ( -11.122 20.875 0.000) 23.652 8.798 ( 3.282 17.992 0.000) 18.289 8.947 ( -10.629 24.736 0.000) 26.923 9.354 ( 18.287 -0.481 0.000) 18.294 9.718 ( -15.906 7.926 0.000) 17.771 10.124 ( 5.316 -22.517 0.000) 23.136 10.211 ( -2.872 -10.876 0.000) 11.249 10.278 ( 17.368 -11.632 0.000) 20.903 10.667 ( -16.806 -16.824 0.000) 23.780 10.886 ( 0.368 -13.151 0.000) 13.156 10.956 ( -3.914 -20.683 0.000) 21.050 11.239 ( 12.190 15.469 0.000) 19.695 11.428 ( -4.904 13.155 0.000) 14.039 11.748 ( -1.410 6.196 0.000) 6.355 11.749 ( -0.253 2.584 0.000) 2.596 12.196 ( 1.632 4.988 0.000) 5.248 12.237 ( -2.184 3.100 0.000) 3.792 12.420 ( -0.670 -6.099 0.000) 6.136 12.431 ( -1.183 -6.599 0.000) 6.705 12.955 ( 3.071 -2.044 0.000) 3.689 12.973 ( 1.889 0.883 0.000) 2.085 13.252 ( 5.205 -11.177 0.000) 12.329 13.321 ( -1.986 -12.085 0.000) 12.247 13.549 ( 4.926 9.479 0.000) 10.683 13.681 ( -7.191 10.149 0.000) 12.439 13.906 ( 5.234 -4.329 0.000) 6.792 14.005 ( -4.481 -2.590 0.000) 5.176 14.585 ( -0.160 4.953 0.000) 4.955 14.599 ( -1.425 5.616 0.000) 5.794 14.764 ( 1.682 0.261 0.000) 1.702 14.793 ( -1.011 1.079 0.000) 1.479 15.305 ( 4.968 -3.551 0.000) 6.106 15.398 ( -3.641 -6.257 0.000) 7.239 15.495 ( 2.879 -5.128 0.000) 5.881 15.509 ( 1.325 -7.418 0.000) 7.535 16.219 ( 10.817 2.818 0.000) 11.178 16.458 ( -11.774 1.058 0.000) 11.822 16.480 ( 6.331 -8.602 0.000) 10.681 16.614 ( -6.492 -7.592 0.000) 9.989 16.954 ( 3.876 0.495 0.000) 3.908 17.024 ( -2.661 -2.313 0.000) 3.525 17.053 ( 0.067 -0.733 0.000) 0.736 17.055 ( -0.204 -3.213 0.000) 3.219 18.214 ( 8.450 16.365 0.000) 18.418 18.462 ( -15.897 20.302 0.000) 25.785 19.294 ( 11.163 -17.860 0.000) 21.062 19.553 ( -13.854 -15.845 0.000) 21.047 21.280 ( 6.494 14.021 0.000) 15.452 21.420 ( -6.955 15.914 0.000) 17.368 21.784 ( 4.903 -0.267 0.000) 4.910 21.844 ( -1.097 4.261 0.000) 4.400 22.766 ( 1.100 5.041 0.000) 5.159 22.771 ( 0.092 3.869 0.000) 3.870 22.928 ( 7.723 10.135 0.000) 12.742 22.996 ( 1.556 -3.478 0.000) 3.810 23.022 ( -1.486 -3.804 0.000) 4.084 23.101 ( -7.839 10.902 0.000) 13.427 23.712 ( 11.924 -10.288 0.000) 15.749 23.922 ( -8.384 -6.465 0.000) 10.588 25.365 ( 0.460 0.450 0.000) 0.644 25.386 ( -1.580 -1.161 0.000) 1.961 25.956 ( 5.650 -23.383 0.000) 24.056 26.060 ( -4.355 -28.994 0.000) 29.319 30.020 ( 5.650 14.865 0.000) 15.903 30.151 ( -6.817 15.941 0.000) 17.337 30.445 ( 11.884 1.664 0.000) 12.000 30.688 ( -10.749 -2.644 0.000) 11.069 31.399 ( 1.877 10.855 0.000) 11.016 31.504 ( -9.363 12.467 0.000) 15.591 31.969 ( 5.853 -7.250 0.000) 9.318 32.080 ( -4.668 -8.029 0.000) 9.287 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( 0.000 53.677 0.000) 53.677 4.676 ( 0.000 57.545 0.000) 57.545 5.229 ( 0.000 -51.016 0.000) 51.016 5.403 ( 0.000 6.303 0.000) 6.303 5.589 ( 0.000 -12.490 0.000) 12.490 5.758 ( 0.000 -51.605 0.000) 51.605 6.083 ( 0.000 34.840 0.000) 34.840 6.624 ( 0.000 -2.758 0.000) 2.758 7.442 ( 0.000 27.201 0.000) 27.201 7.640 ( 0.000 44.300 0.000) 44.300 7.806 ( 0.000 29.486 0.000) 29.486 7.926 ( 0.000 -19.299 0.000) 19.299 8.399 ( 0.000 -29.956 0.000) 29.956 8.650 ( 0.000 7.844 0.000) 7.844 8.781 ( 0.000 -6.895 0.000) 6.895 8.819 ( 0.000 -59.139 0.000) 59.139 9.782 ( 0.000 23.412 0.000) 23.412 9.819 ( 0.000 27.227 0.000) 27.227 10.096 ( 0.000 -8.516 0.000) 8.516 10.116 ( 0.000 1.600 0.000) 1.600 10.286 ( 0.000 4.812 0.000) 4.812 10.522 ( 0.000 -24.483 0.000) 24.483 10.843 ( 0.000 16.881 0.000) 16.881 10.964 ( 0.000 6.029 0.000) 6.029 11.309 ( 0.000 -14.086 0.000) 14.086 11.322 ( 0.000 -12.911 0.000) 12.911 11.589 ( 0.000 12.596 0.000) 12.596 11.828 ( 0.000 -9.399 0.000) 9.399 12.344 ( 0.000 -0.534 0.000) 0.534 12.361 ( 0.000 -3.655 0.000) 3.655 12.394 ( 0.000 10.751 0.000) 10.751 12.540 ( 0.000 -4.082 0.000) 4.082 12.830 ( 0.000 2.271 0.000) 2.271 12.839 ( 0.000 9.922 0.000) 9.922 12.877 ( 0.000 -4.696 0.000) 4.696 13.090 ( 0.000 -13.155 0.000) 13.155 13.608 ( 0.000 5.545 0.000) 5.545 13.697 ( 0.000 -3.523 0.000) 3.523 14.045 ( 0.000 7.157 0.000) 7.157 14.131 ( 0.000 -1.769 0.000) 1.769 14.692 ( 0.000 1.114 0.000) 1.114 14.707 ( 0.000 0.063 0.000) 0.063 14.809 ( 0.000 4.691 0.000) 4.691 14.832 ( 0.000 1.893 0.000) 1.893 15.207 ( 0.000 3.585 0.000) 3.585 15.296 ( 0.000 -3.206 0.000) 3.206 15.301 ( 0.000 -4.750 0.000) 4.750 15.306 ( 0.000 -6.260 0.000) 6.260 16.021 ( 0.000 3.233 0.000) 3.233 16.136 ( 0.000 -8.702 0.000) 8.702 16.624 ( 0.000 -0.853 0.000) 0.853 16.671 ( 0.000 -5.430 0.000) 5.430 16.937 ( 0.000 3.981 0.000) 3.981 17.003 ( 0.000 -2.888 0.000) 2.888 17.072 ( 0.000 1.308 0.000) 1.308 17.079 ( 0.000 0.424 0.000) 0.424 18.352 ( 0.000 16.488 0.000) 16.488 18.694 ( 0.000 -18.147 0.000) 18.147 19.361 ( 0.000 17.568 0.000) 17.568 19.677 ( 0.000 -14.590 0.000) 14.590 21.309 ( 0.000 7.005 0.000) 7.005 21.436 ( 0.000 -6.030 0.000) 6.030 21.860 ( 0.000 7.871 0.000) 7.871 21.920 ( 0.000 1.336 0.000) 1.336 22.852 ( 0.000 4.615 0.000) 4.615 22.858 ( 0.000 2.088 0.000) 2.088 22.871 ( 0.000 6.607 0.000) 6.607 22.936 ( 0.000 4.265 0.000) 4.265 22.948 ( 0.000 -5.220 0.000) 5.220 23.157 ( 0.000 -12.196 0.000) 12.196 23.588 ( 0.000 19.603 0.000) 19.603 23.947 ( 0.000 -14.147 0.000) 14.147 25.412 ( 0.000 4.050 0.000) 4.050 25.422 ( 0.000 2.539 0.000) 2.539 25.544 ( 0.000 -9.891 0.000) 9.891 25.604 ( 0.000 -18.006 0.000) 18.006 30.119 ( 0.000 7.356 0.000) 7.356 30.203 ( 0.000 -1.371 0.000) 1.371 30.619 ( 0.000 11.864 0.000) 11.864 30.789 ( 0.000 -5.978 0.000) 5.978 31.547 ( 0.000 7.759 0.000) 7.759 31.693 ( 0.000 -6.992 0.000) 6.992 31.959 ( 0.000 -0.182 0.000) 0.182 31.997 ( 0.000 -3.807 0.000) 3.807 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 3.741 50.870 0.000) 51.007 4.779 ( 9.007 54.337 0.000) 55.079 5.162 ( -17.683 18.713 0.000) 25.747 5.214 ( -0.867 -48.878 0.000) 48.886 5.533 ( -7.052 -24.193 0.000) 25.200 5.854 ( 8.783 -49.356 0.000) 50.132 5.911 ( -15.328 37.774 0.000) 40.765 6.581 ( -5.967 -20.785 0.000) 21.624 7.527 ( 9.764 41.486 0.000) 42.620 7.743 ( 8.214 42.229 0.000) 43.020 7.875 ( 6.654 15.588 0.000) 16.949 8.085 ( 13.389 -5.601 0.000) 14.513 8.390 ( -2.455 -18.643 0.000) 18.804 8.789 ( 8.318 0.256 0.000) 8.322 8.830 ( 9.756 -5.841 0.000) 11.370 8.918 ( 9.574 -57.148 0.000) 57.945 9.547 ( -19.500 29.822 0.000) 35.631 9.713 ( -9.482 24.606 0.000) 26.370 10.015 ( -8.754 -16.926 0.000) 19.056 10.047 ( -10.021 -6.155 0.000) 11.760 10.268 ( 2.111 10.406 0.000) 10.618 10.548 ( 1.982 -20.564 0.000) 20.660 10.730 ( -5.880 4.145 0.000) 7.194 10.877 ( -14.685 -10.770 0.000) 18.211 11.282 ( 12.313 15.618 0.000) 19.888 11.580 ( 10.319 -12.507 0.000) 16.214 11.624 ( 2.626 11.338 0.000) 11.638 11.829 ( -0.200 -7.186 0.000) 7.189 12.324 ( -1.753 -0.177 0.000) 1.762 12.345 ( -1.383 -3.820 0.000) 4.062 12.348 ( -3.333 7.984 0.000) 8.652 12.438 ( -7.070 -1.712 0.000) 7.275 12.880 ( 3.699 8.030 0.000) 8.841 12.909 ( 5.447 0.943 0.000) 5.528 12.962 ( 6.251 -5.473 0.000) 8.308 13.101 ( 0.894 -12.226 0.000) 12.259 13.632 ( 2.597 6.473 0.000) 6.974 13.734 ( 3.494 -4.036 0.000) 5.339 13.987 ( -5.310 7.043 0.000) 8.820 14.076 ( -5.000 -2.192 0.000) 5.459 14.676 ( -0.821 2.727 0.000) 2.848 14.720 ( 0.780 -1.516 0.000) 1.705 14.763 ( -3.088 5.419 0.000) 6.237 14.825 ( -1.494 -0.538 0.000) 1.588 15.232 ( 2.255 3.101 0.000) 3.834 15.322 ( 1.351 -3.053 0.000) 3.339 15.326 ( 1.868 -6.318 0.000) 6.588 15.334 ( 3.008 -3.738 0.000) 4.798 16.086 ( 6.268 3.012 0.000) 6.954 16.189 ( 5.128 -7.832 0.000) 9.361 16.584 ( -4.051 -1.024 0.000) 4.178 16.621 ( -4.818 -4.599 0.000) 6.661 16.948 ( 1.113 3.350 0.000) 3.530 17.006 ( 0.323 -2.525 0.000) 2.546 17.054 ( -1.437 1.357 0.000) 1.976 17.071 ( -0.877 -0.135 0.000) 0.887 18.403 ( 5.236 17.380 0.000) 18.152 18.756 ( 6.153 -18.364 0.000) 19.367 19.194 ( -14.626 18.675 0.000) 23.721 19.533 ( -12.877 -15.875 0.000) 20.441 21.377 ( 6.364 9.400 0.000) 11.352 21.540 ( 8.405 -7.156 0.000) 11.039 21.809 ( -4.534 9.353 0.000) 10.394 21.907 ( -1.737 -0.753 0.000) 1.893 22.848 ( -0.118 3.800 0.000) 3.802 22.852 ( -0.026 4.528 0.000) 4.528 22.907 ( 1.233 -2.120 0.000) 2.452 22.945 ( -0.285 -5.012 0.000) 5.021 22.995 ( 6.719 11.633 0.000) 13.434 23.248 ( 8.486 -12.890 0.000) 15.433 23.534 ( -5.293 18.825 0.000) 19.555 23.885 ( -6.080 -14.559 0.000) 15.778 25.414 ( 0.191 4.595 0.000) 4.599 25.420 ( -0.116 3.625 0.000) 3.627 25.562 ( 1.561 -10.929 0.000) 11.040 25.614 ( 0.674 -17.563 0.000) 17.576 30.154 ( 3.528 8.199 0.000) 8.926 30.259 ( 5.318 -2.526 0.000) 5.887 30.560 ( -5.509 11.839 0.000) 13.058 30.738 ( -5.041 -6.728 0.000) 8.407 31.561 ( 1.497 8.872 0.000) 8.997 31.726 ( 3.083 -7.820 0.000) 8.406 31.866 ( -6.984 5.201 0.000) 8.708 31.988 ( -2.288 -7.153 0.000) 7.510 ======================= Grid point 22 (15/105) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 11.623 42.813 0.000) 44.363 4.697 ( -17.737 32.442 0.000) 36.974 5.133 ( 16.468 49.219 0.000) 51.901 5.229 ( 3.065 -42.073 0.000) 42.184 5.358 ( -8.263 -34.857 0.000) 35.822 5.534 ( -20.391 42.784 0.000) 47.395 6.086 ( 13.589 -46.572 0.000) 48.513 6.371 ( -13.547 -39.071 0.000) 41.353 7.782 ( 11.166 45.774 0.000) 47.117 7.869 ( 2.194 38.300 0.000) 38.363 8.056 ( 11.209 3.527 0.000) 11.751 8.278 ( -8.718 -6.793 0.000) 11.052 8.401 ( 17.554 10.979 0.000) 20.705 8.762 ( -13.023 16.986 0.000) 21.404 9.174 ( 12.809 -44.030 0.000) 45.856 9.187 ( 15.154 -17.743 0.000) 23.334 9.258 ( 1.988 23.519 0.000) 23.603 9.485 ( -11.338 13.067 0.000) 17.300 9.752 ( -14.661 -28.074 0.000) 31.672 9.754 ( -15.572 -6.745 0.000) 16.970 10.373 ( 7.362 8.455 0.000) 11.211 10.559 ( -10.952 2.372 0.000) 11.206 10.596 ( 2.900 -15.109 0.000) 15.385 10.670 ( -4.718 -8.563 0.000) 9.776 11.533 ( 10.246 13.598 0.000) 17.026 11.651 ( -1.252 10.293 0.000) 10.369 11.728 ( 4.842 -5.465 0.000) 7.302 11.802 ( -2.683 -3.128 0.000) 4.122 12.289 ( -1.165 0.790 0.000) 1.407 12.294 ( -1.693 3.543 0.000) 3.926 12.317 ( -0.942 -3.520 0.000) 3.644 12.329 ( -2.846 -1.934 0.000) 3.441 12.961 ( 3.421 4.204 0.000) 5.420 12.987 ( 1.352 1.348 0.000) 1.909 13.067 ( 3.718 -7.043 0.000) 7.964 13.109 ( -0.558 -9.632 0.000) 9.648 13.718 ( 5.842 7.329 0.000) 9.373 13.829 ( 5.672 -4.287 0.000) 7.110 13.855 ( -7.177 7.121 0.000) 10.111 13.954 ( -6.453 -3.322 0.000) 7.258 14.673 ( 0.721 4.122 0.000) 4.184 14.706 ( -2.399 5.049 0.000) 5.590 14.741 ( 1.491 -2.585 0.000) 2.985 14.782 ( -2.391 -2.371 0.000) 3.367 15.287 ( 2.807 1.778 0.000) 3.323 15.328 ( -0.964 -0.386 0.000) 1.039 15.368 ( 1.826 -6.236 0.000) 6.498 15.381 ( 0.945 -5.223 0.000) 5.308 16.256 ( 9.856 1.932 0.000) 10.043 16.328 ( 8.029 -5.932 0.000) 9.983 16.453 ( -8.784 -0.125 0.000) 8.785 16.491 ( -7.588 -4.307 0.000) 8.725 16.980 ( 1.913 2.105 0.000) 2.844 17.020 ( -1.910 1.402 0.000) 2.369 17.020 ( 1.090 -1.698 0.000) 2.018 17.047 ( -1.410 -0.915 0.000) 1.681 18.570 ( 11.407 19.188 0.000) 22.323 18.859 ( -16.612 19.910 0.000) 25.930 18.941 ( 12.005 -18.517 0.000) 22.068 19.228 ( -15.718 -17.715 0.000) 23.683 21.532 ( 8.236 11.403 0.000) 14.066 21.690 ( -7.037 11.139 0.000) 13.175 21.712 ( 7.801 -6.729 0.000) 10.302 21.841 ( -4.840 -4.170 0.000) 6.389 22.849 ( 0.104 3.908 0.000) 3.910 22.851 ( -0.071 4.256 0.000) 4.256 22.924 ( 0.685 -3.799 0.000) 3.860 22.936 ( -0.538 -4.487 0.000) 4.519 23.178 ( 10.391 14.596 0.000) 17.917 23.383 ( -9.251 16.911 0.000) 19.276 23.469 ( 12.360 -14.330 0.000) 18.924 23.710 ( -10.818 -14.985 0.000) 18.482 25.418 ( 0.142 5.459 0.000) 5.461 25.419 ( -0.005 5.238 0.000) 5.238 25.597 ( 1.656 -13.393 0.000) 13.495 25.619 ( -0.362 -15.969 0.000) 15.973 30.261 ( 6.864 9.840 0.000) 11.998 30.406 ( 8.836 -4.964 0.000) 10.135 30.417 ( -7.994 11.242 0.000) 13.795 30.593 ( -8.890 -6.897 0.000) 11.251 31.614 ( 3.896 10.712 0.000) 11.399 31.721 ( -6.621 10.202 0.000) 12.162 31.809 ( 4.868 -9.153 0.000) 10.367 31.911 ( -4.853 -9.258 0.000) 10.453 ======================= Grid point 45 (16/105) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 55.823) 55.823 1.184 ( 0.000 0.000 61.243) 61.243 2.159 ( 0.000 0.000 111.164) 111.164 4.087 ( 0.000 0.000 15.011) 15.011 4.784 ( 0.000 0.000 32.560) 32.560 5.999 ( 0.000 0.000 -32.813) 32.813 6.592 ( 0.000 0.000 4.930) 4.930 7.237 ( 0.000 0.000 -2.279) 2.279 7.448 ( 0.000 0.000 36.820) 36.820 7.696 ( 0.000 0.000 -3.956) 3.956 7.928 ( 0.000 0.000 -7.218) 7.218 8.049 ( 0.000 0.000 2.375) 2.375 8.155 ( 0.000 0.000 -4.836) 4.836 8.536 ( 0.000 0.000 -2.614) 2.614 8.800 ( 0.000 0.000 2.064) 2.064 8.934 ( 0.000 0.000 3.628) 3.628 9.292 ( 0.000 0.000 1.268) 1.268 9.473 ( 0.000 0.000 -0.019) 0.019 9.568 ( 0.000 0.000 -3.016) 3.016 9.845 ( 0.000 0.000 -5.218) 5.218 10.379 ( 0.000 0.000 -10.054) 10.054 10.906 ( 0.000 0.000 -16.493) 16.493 10.919 ( 0.000 0.000 -0.756) 0.756 11.126 ( 0.000 0.000 0.497) 0.497 11.288 ( 0.000 0.000 -1.162) 1.162 11.497 ( 0.000 0.000 16.530) 16.530 11.544 ( 0.000 0.000 -23.213) 23.213 11.794 ( 0.000 0.000 -4.615) 4.615 11.940 ( 0.000 0.000 -12.141) 12.141 12.001 ( 0.000 0.000 5.032) 5.032 12.070 ( 0.000 0.000 -23.473) 23.473 12.793 ( 0.000 0.000 -14.007) 14.007 13.130 ( 0.000 0.000 -14.963) 14.963 13.161 ( 0.000 0.000 -14.912) 14.912 13.199 ( 0.000 0.000 14.041) 14.041 13.558 ( 0.000 0.000 0.994) 0.994 13.629 ( 0.000 0.000 -6.066) 6.066 13.725 ( 0.000 0.000 5.518) 5.518 13.944 ( 0.000 0.000 -3.409) 3.409 14.139 ( 0.000 0.000 1.799) 1.799 14.312 ( 0.000 0.000 14.268) 14.268 14.479 ( 0.000 0.000 -12.893) 12.893 14.631 ( 0.000 0.000 -3.104) 3.104 14.699 ( 0.000 0.000 3.897) 3.897 14.934 ( 0.000 0.000 7.229) 7.229 15.725 ( 0.000 0.000 27.856) 27.856 15.903 ( 0.000 0.000 -6.140) 6.140 16.024 ( 0.000 0.000 5.327) 5.327 16.329 ( 0.000 0.000 3.725) 3.725 16.546 ( 0.000 0.000 22.326) 22.326 16.735 ( 0.000 0.000 4.309) 4.309 16.806 ( 0.000 0.000 -22.053) 22.053 16.829 ( 0.000 0.000 -3.354) 3.354 17.056 ( 0.000 0.000 2.529) 2.529 17.105 ( 0.000 0.000 6.052) 6.052 18.032 ( 0.000 0.000 -0.961) 0.961 18.181 ( 0.000 0.000 9.732) 9.732 18.214 ( 0.000 0.000 13.978) 13.978 20.246 ( 0.000 0.000 -8.980) 8.980 20.577 ( 0.000 0.000 -3.359) 3.359 20.652 ( 0.000 0.000 -4.230) 4.230 20.737 ( 0.000 0.000 4.696) 4.696 20.862 ( 0.000 0.000 3.575) 3.575 21.371 ( 0.000 0.000 -29.400) 29.400 22.190 ( 0.000 0.000 -8.753) 8.753 22.497 ( 0.000 0.000 -21.765) 21.765 22.852 ( 0.000 0.000 -10.070) 10.070 22.953 ( 0.000 0.000 -20.766) 20.766 23.328 ( 0.000 0.000 7.007) 7.007 23.598 ( 0.000 0.000 12.491) 12.491 23.658 ( 0.000 0.000 0.861) 0.861 23.921 ( 0.000 0.000 -1.015) 1.015 25.483 ( 0.000 0.000 9.310) 9.310 25.724 ( 0.000 0.000 3.391) 3.391 26.706 ( 0.000 0.000 1.645) 1.645 27.395 ( 0.000 0.000 -1.548) 1.548 28.045 ( 0.000 0.000 6.769) 6.769 28.932 ( 0.000 0.000 -9.852) 9.852 29.492 ( 0.000 0.000 3.169) 3.169 29.599 ( 0.000 0.000 -24.303) 24.303 31.293 ( 0.000 0.000 27.867) 27.867 31.382 ( 0.000 0.000 14.881) 14.881 32.488 ( 0.000 0.000 25.230) 25.230 35.922 ( 0.000 0.000 -1.205) 1.205 ======================= Grid point 46 (17/105) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 34.196 0.000 45.292) 56.751 1.657 ( 43.849 0.000 37.934) 57.980 2.685 ( 47.927 0.000 85.542) 98.053 3.827 ( -24.202 0.000 16.584) 29.338 4.383 ( -35.064 0.000 23.518) 42.220 5.934 ( -18.758 0.000 -6.851) 19.970 6.713 ( 11.526 0.000 3.233) 11.971 7.353 ( 9.320 0.000 -2.681) 9.698 7.377 ( 5.594 0.000 19.828) 20.602 7.682 ( -1.431 0.000 -3.941) 4.192 7.908 ( -14.767 0.000 -5.419) 15.730 8.040 ( 5.241 0.000 -3.217) 6.149 8.066 ( 0.267 0.000 3.310) 3.321 8.393 ( -10.939 0.000 0.421) 10.947 8.765 ( -0.376 0.000 1.242) 1.297 9.165 ( 10.088 0.000 1.955) 10.276 9.235 ( -16.142 0.000 -0.252) 16.144 9.366 ( -12.660 0.000 -3.976) 13.269 9.520 ( 13.750 0.000 -0.697) 13.767 10.058 ( 17.299 0.000 0.459) 17.305 10.327 ( -5.591 0.000 -7.949) 9.718 10.804 ( -6.389 0.000 -3.794) 7.430 11.120 ( 10.155 0.000 -19.060) 21.596 11.201 ( 7.394 0.000 -1.400) 7.525 11.374 ( 7.383 0.000 -2.749) 7.878 11.479 ( -1.354 0.000 -21.366) 21.409 11.764 ( -3.007 0.000 -4.607) 5.502 11.876 ( -6.237 0.000 -10.211) 11.965 11.983 ( 1.618 0.000 -1.647) 2.309 12.024 ( 24.412 0.000 -13.093) 27.702 12.087 ( 2.530 0.000 -18.750) 18.920 12.715 ( -5.410 0.000 -10.758) 12.042 13.119 ( -0.780 0.000 -13.874) 13.896 13.150 ( -0.954 0.000 -14.326) 14.357 13.237 ( 2.245 0.000 14.559) 14.731 13.565 ( 0.590 0.000 -0.536) 0.797 13.621 ( -0.756 0.000 -5.762) 5.812 13.670 ( -8.119 0.000 9.984) 12.869 14.006 ( 3.809 0.000 -5.073) 6.344 14.042 ( -3.076 0.000 -0.961) 3.223 14.489 ( 12.841 0.000 10.715) 16.724 14.502 ( 2.141 0.000 -12.434) 12.617 14.625 ( -0.714 0.000 -4.433) 4.491 14.726 ( 2.593 0.000 4.936) 5.576 14.908 ( -0.908 0.000 6.097) 6.164 15.745 ( 1.873 0.000 24.588) 24.659 15.884 ( -1.637 0.000 -1.550) 2.254 16.004 ( -30.895 0.000 18.631) 36.078 16.058 ( 3.220 0.000 5.189) 6.107 16.445 ( -7.525 0.000 18.155) 19.653 16.489 ( 0.478 0.000 2.882) 2.921 16.815 ( 5.552 0.000 7.031) 8.959 16.825 ( -3.907 0.000 -3.677) 5.365 17.041 ( -1.426 0.000 3.122) 3.433 17.373 ( 10.231 0.000 -5.779) 11.750 17.897 ( -9.875 0.000 7.455) 12.373 18.196 ( 1.529 0.000 11.798) 11.897 18.222 ( 0.601 0.000 12.952) 12.966 20.290 ( 4.577 0.000 -12.917) 13.704 20.581 ( 0.398 0.000 -3.285) 3.309 20.638 ( -1.134 0.000 -3.414) 3.597 20.756 ( 1.612 0.000 3.866) 4.189 20.853 ( -0.866 0.000 3.528) 3.633 21.025 ( -21.919 0.000 -9.119) 23.740 22.200 ( 3.143 0.000 -11.008) 11.448 22.468 ( -2.676 0.000 -21.029) 21.199 22.873 ( -8.124 0.000 0.421) 8.134 22.884 ( 2.745 0.000 -10.612) 10.961 22.971 ( -4.381 0.000 -6.102) 7.511 23.287 ( -5.469 0.000 8.075) 9.753 23.944 ( 2.536 0.000 0.318) 2.556 24.052 ( 3.728 0.000 -3.850) 5.359 25.507 ( 2.689 0.000 8.941) 9.337 25.744 ( -1.799 0.000 7.146) 7.369 27.444 ( 4.726 0.000 -1.313) 4.906 27.878 ( 65.761 0.000 -61.978) 90.365 27.957 ( -7.830 0.000 4.517) 9.040 29.011 ( 7.016 0.000 -7.156) 10.021 29.452 ( -3.899 0.000 2.481) 4.621 29.519 ( -7.773 0.000 -26.391) 27.512 31.301 ( 0.993 0.000 26.640) 26.658 31.390 ( 0.318 0.000 16.106) 16.109 32.534 ( 5.129 0.000 29.634) 30.075 34.362 ( -85.093 0.000 85.250) 120.450 ======================= Grid point 47 (18/105) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 41.375 0.000 29.396) 50.754 2.591 ( 47.037 0.000 29.181) 55.353 3.187 ( -37.326 0.000 21.019) 42.837 3.514 ( -38.616 0.000 24.544) 45.757 3.899 ( 57.114 0.000 49.494) 75.576 5.121 ( -55.468 0.000 26.005) 61.262 7.032 ( 19.234 0.000 0.347) 19.237 7.434 ( -14.491 0.000 -4.364) 15.133 7.579 ( -1.223 0.000 -0.735) 1.427 7.642 ( -3.150 0.000 -4.019) 5.107 7.735 ( 22.105 0.000 -2.555) 22.252 8.037 ( -6.445 0.000 -0.133) 6.446 8.251 ( 2.734 0.000 3.529) 4.464 8.329 ( 20.582 0.000 -1.954) 20.674 8.546 ( -19.850 0.000 4.320) 20.314 8.801 ( -24.240 0.000 -0.680) 24.249 9.260 ( 4.191 0.000 -2.890) 5.091 9.313 ( 0.660 0.000 0.515) 0.837 9.848 ( 16.471 0.000 -2.973) 16.737 10.144 ( -12.256 0.000 -5.100) 13.275 10.391 ( 14.454 0.000 -0.438) 14.461 10.637 ( -10.077 0.000 -2.885) 10.482 11.303 ( 7.705 0.000 -17.597) 19.209 11.405 ( 11.739 0.000 -6.036) 13.200 11.424 ( -4.255 0.000 -19.405) 19.866 11.530 ( 6.072 0.000 -8.225) 10.224 11.663 ( -6.904 0.000 -2.584) 7.372 11.715 ( -7.895 0.000 -3.795) 8.759 12.004 ( 2.449 0.000 -8.589) 8.931 12.063 ( -2.433 0.000 -13.901) 14.113 12.436 ( 13.041 0.000 -13.432) 18.722 12.612 ( -5.574 0.000 -9.556) 11.063 13.112 ( 0.236 0.000 -12.781) 12.783 13.127 ( -1.120 0.000 -13.264) 13.311 13.293 ( 4.451 0.000 17.183) 17.750 13.450 ( -10.865 0.000 16.921) 20.109 13.581 ( 0.946 0.000 -3.047) 3.191 13.602 ( -1.070 0.000 -4.796) 4.914 14.021 ( 1.414 0.000 -4.994) 5.190 14.052 ( -0.680 0.000 -6.849) 6.882 14.554 ( 2.637 0.000 -10.692) 11.012 14.600 ( -1.795 0.000 -7.588) 7.798 14.684 ( 5.136 0.000 6.076) 7.956 14.750 ( -1.666 0.000 6.880) 7.079 15.057 ( 16.953 0.000 8.526) 18.976 15.468 ( -22.658 0.000 16.660) 28.124 15.792 ( 2.584 0.000 16.161) 16.367 15.843 ( -2.331 0.000 6.620) 7.019 16.150 ( 5.792 0.000 9.003) 10.705 16.288 ( -7.612 0.000 14.260) 16.164 16.579 ( 6.385 0.000 0.541) 6.408 16.715 ( -6.525 0.000 -1.733) 6.752 16.920 ( 4.586 0.000 6.398) 7.872 16.997 ( -2.987 0.000 4.642) 5.520 17.536 ( 7.427 0.000 1.622) 7.602 17.702 ( -9.049 0.000 7.302) 11.628 18.224 ( 0.983 0.000 11.819) 11.860 18.232 ( 0.184 0.000 12.132) 12.133 20.432 ( 9.414 0.000 -14.651) 17.415 20.594 ( 0.815 0.000 -3.104) 3.210 20.614 ( -1.142 0.000 -3.003) 3.213 20.668 ( -14.066 0.000 -11.688) 18.289 20.793 ( 1.874 0.000 3.404) 3.886 20.828 ( -1.541 0.000 3.421) 3.752 22.298 ( 5.445 0.000 -17.228) 18.068 22.397 ( -4.247 0.000 -19.845) 20.295 22.834 ( 1.934 0.000 -9.602) 9.795 22.889 ( -2.608 0.000 -16.584) 16.788 23.005 ( 6.039 0.000 2.079) 6.387 23.149 ( -7.592 0.000 6.823) 10.207 24.002 ( 2.987 0.000 -0.334) 3.006 24.054 ( -1.852 0.000 -1.143) 2.176 25.582 ( 4.483 0.000 8.753) 9.834 25.675 ( -4.398 0.000 8.508) 9.577 27.579 ( 8.386 0.000 -0.460) 8.399 27.769 ( -9.946 0.000 1.404) 10.045 28.822 ( 31.293 0.000 -51.757) 60.482 29.177 ( 8.623 0.000 -2.873) 9.089 29.281 ( -16.160 0.000 -34.869) 38.432 29.339 ( -7.054 0.000 0.444) 7.068 31.334 ( 2.175 0.000 23.957) 24.056 31.377 ( -1.660 0.000 19.877) 19.946 32.728 ( 15.009 0.000 42.309) 44.893 33.207 ( -35.275 0.000 66.244) 75.051 ======================= Grid point 50 (19/105) ======================= q-point: ( 0.00 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 36.280 39.873) 53.909 1.819 ( 0.000 46.252 45.979) 65.217 2.796 ( 0.000 62.021 79.954) 101.189 4.410 ( 0.000 30.339 12.553) 32.834 4.905 ( 0.000 12.937 32.093) 34.602 5.769 ( 0.000 -16.561 -18.326) 24.700 6.769 ( 0.000 11.036 -0.828) 11.067 7.091 ( 0.000 -15.273 1.117) 15.313 7.601 ( 0.000 14.479 16.109) 21.660 7.813 ( 0.000 -12.937 2.443) 13.166 7.819 ( 0.000 -5.323 -6.062) 8.068 7.989 ( 0.000 8.302 -4.918) 9.649 8.090 ( 0.000 -1.151 -2.027) 2.330 8.689 ( 0.000 2.868 -3.980) 4.906 8.819 ( 0.000 -9.881 3.285) 10.413 8.977 ( 0.000 14.093 -11.322) 18.078 9.378 ( 0.000 7.398 -3.915) 8.370 9.501 ( 0.000 1.363 -3.219) 3.496 9.714 ( 0.000 14.062 2.529) 14.288 9.760 ( 0.000 -6.464 -0.989) 6.539 10.368 ( 0.000 -0.711 -9.129) 9.156 10.890 ( 0.000 -4.978 -11.223) 12.277 11.017 ( 0.000 3.606 -5.033) 6.192 11.096 ( 0.000 0.012 -1.472) 1.472 11.211 ( 0.000 -2.557 -1.531) 2.981 11.551 ( 0.000 1.781 4.077) 4.449 11.594 ( 0.000 5.537 -20.949) 21.668 11.834 ( 0.000 0.444 -1.822) 1.875 11.870 ( 0.000 -5.982 -8.075) 10.049 11.975 ( 0.000 3.405 0.727) 3.481 12.100 ( 0.000 2.395 -18.233) 18.390 12.732 ( 0.000 -5.995 -15.025) 16.177 13.051 ( 0.000 -7.459 20.890) 22.182 13.111 ( 0.000 -1.868 -15.676) 15.787 13.210 ( 0.000 1.340 -14.072) 14.135 13.444 ( 0.000 -10.180 5.352) 11.501 13.673 ( 0.000 2.813 -0.718) 2.903 13.704 ( 0.000 -2.399 5.954) 6.419 13.937 ( 0.000 -0.419 0.354) 0.549 14.111 ( 0.000 -1.204 0.868) 1.484 14.370 ( 0.000 6.108 7.222) 9.459 14.556 ( 0.000 6.458 -11.290) 13.007 14.656 ( 0.000 0.668 6.735) 6.768 14.709 ( 0.000 1.046 8.760) 8.822 14.944 ( 0.000 0.821 4.585) 4.658 15.370 ( 0.000 -24.250 -4.269) 24.623 15.742 ( 0.000 1.417 28.055) 28.090 16.016 ( 0.000 -0.853 3.530) 3.631 16.309 ( 0.000 -7.288 8.715) 11.360 16.616 ( 0.000 3.885 16.911) 17.351 16.740 ( 0.000 1.321 2.513) 2.839 16.843 ( 0.000 1.831 -3.962) 4.364 16.890 ( 0.000 5.156 0.455) 5.176 17.054 ( 0.000 -4.939 6.617) 8.257 17.221 ( 0.000 4.535 -10.857) 11.766 17.774 ( 0.000 -26.385 15.699) 30.702 18.141 ( 0.000 -6.266 11.903) 13.451 18.202 ( 0.000 13.825 -2.125) 13.988 20.153 ( 0.000 -35.863 12.360) 37.933 20.182 ( 0.000 -5.604 -7.890) 9.678 20.746 ( 0.000 8.303 -4.934) 9.659 20.876 ( 0.000 22.358 -15.219) 27.047 20.968 ( 0.000 10.356 2.303) 10.609 21.527 ( 0.000 5.964 -20.458) 21.309 22.224 ( 0.000 3.732 -9.206) 9.934 22.508 ( 0.000 1.165 -21.320) 21.352 22.837 ( 0.000 -2.388 -1.571) 2.859 22.943 ( 0.000 -1.022 -21.425) 21.449 22.990 ( 0.000 -19.923 14.107) 24.412 23.306 ( 0.000 -1.827 8.024) 8.230 23.631 ( 0.000 -2.729 0.984) 2.901 23.947 ( 0.000 2.743 -0.428) 2.776 25.471 ( 0.000 -1.020 8.635) 8.695 25.672 ( 0.000 -4.779 3.377) 5.852 26.552 ( 0.000 -14.508 2.198) 14.674 27.643 ( 0.000 -29.798 0.142) 29.798 28.961 ( 0.000 67.587 -57.262) 88.583 29.095 ( 0.000 15.395 -10.036) 18.377 29.637 ( 0.000 13.783 2.474) 14.003 29.960 ( 0.000 35.312 -38.514) 52.252 31.290 ( 0.000 -0.028 27.466) 27.466 31.398 ( 0.000 1.851 15.178) 15.290 32.445 ( 0.000 -4.238 24.594) 24.956 34.691 ( 0.000 -77.071 69.237) 103.604 ======================= Grid point 51 (20/105) ======================= q-point: ( 0.20 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 30.682 26.984 33.550) 52.869 2.143 ( 28.821 37.485 40.126) 62.015 3.244 ( 40.494 54.168 64.839) 93.692 4.110 ( -27.048 25.946 14.804) 40.298 4.495 ( -34.015 11.280 21.685) 41.887 5.816 ( -5.737 -4.774 1.036) 7.535 6.932 ( 12.047 9.936 -5.136) 16.439 7.228 ( 11.934 -10.800 2.255) 16.252 7.475 ( -3.972 12.449 16.147) 20.773 7.675 ( -9.637 -17.589 0.245) 20.058 7.853 ( 2.856 -4.932 -5.162) 7.689 7.898 ( -7.305 9.887 -3.986) 12.924 8.152 ( 4.723 1.149 -1.264) 5.022 8.501 ( -16.993 6.522 -0.969) 18.227 8.736 ( -0.375 -1.861 -0.362) 1.933 9.091 ( -2.373 -9.493 -3.686) 10.456 9.335 ( -11.585 -1.851 -3.159) 12.150 9.351 ( -6.860 10.257 -2.095) 12.516 9.599 ( 11.073 7.376 -0.245) 13.307 10.150 ( 19.881 8.708 1.191) 21.737 10.329 ( -4.158 0.943 -7.441) 8.576 10.893 ( -5.382 7.851 -5.613) 11.050 11.073 ( 8.511 -8.840 -13.953) 18.582 11.122 ( 4.404 -6.412 -3.274) 8.440 11.318 ( 8.334 -1.942 -1.960) 8.779 11.527 ( -2.954 3.343 -14.711) 15.372 11.697 ( -0.225 -8.780 -12.010) 14.878 11.761 ( -5.434 -5.171 -6.957) 10.230 11.915 ( 3.262 -4.720 -1.300) 5.883 12.095 ( 5.257 1.652 -13.968) 15.016 12.119 ( 9.362 7.027 -7.987) 14.171 12.661 ( -4.717 -4.466 -9.835) 11.786 13.090 ( 1.194 -4.081 -2.902) 5.148 13.149 ( 2.518 0.441 -4.330) 5.028 13.198 ( 0.320 -2.411 -3.947) 4.636 13.464 ( 0.521 -8.197 4.865) 9.546 13.624 ( -4.599 0.427 7.680) 8.961 13.688 ( -2.048 -0.621 -0.256) 2.156 13.966 ( 3.213 -2.444 -2.974) 5.014 14.061 ( -2.574 2.469 -3.431) 4.950 14.464 ( 5.328 1.248 7.579) 9.348 14.561 ( 1.303 1.323 -5.596) 5.897 14.677 ( 1.726 2.892 -1.231) 3.586 14.759 ( 4.775 4.240 9.712) 11.623 14.915 ( -0.541 0.538 -0.560) 0.947 15.398 ( 1.074 -18.778 -1.542) 18.872 15.770 ( 2.741 1.849 25.972) 26.181 16.032 ( 1.602 -0.794 4.690) 5.020 16.300 ( -1.924 -8.353 11.415) 14.275 16.459 ( -19.006 13.677 4.054) 23.764 16.600 ( -3.291 5.820 6.651) 9.431 16.818 ( 1.308 1.146 2.954) 3.428 16.889 ( 0.074 4.553 3.394) 5.679 17.074 ( -0.777 1.767 4.676) 5.058 17.328 ( 7.185 -5.145 -5.160) 10.233 17.758 ( -3.176 -20.883 12.982) 24.794 18.106 ( -4.296 4.239 7.190) 9.387 18.139 ( -1.216 -5.132 10.522) 11.770 20.036 ( -2.573 -22.353 1.649) 22.560 20.264 ( -0.369 -20.042 -2.943) 20.261 20.722 ( -0.614 8.604 -3.598) 9.346 20.851 ( -2.130 14.982 -7.453) 16.868 21.031 ( 4.701 17.809 -5.111) 19.115 21.405 ( -8.935 15.444 -13.710) 22.501 22.247 ( 3.058 4.665 -11.050) 12.379 22.484 ( -2.251 1.658 -20.538) 20.728 22.823 ( -2.796 -4.025 6.864) 8.433 22.882 ( 1.772 -0.165 -11.240) 11.380 22.945 ( -1.515 -1.718 -16.260) 16.421 23.257 ( -5.007 -2.305 8.419) 10.063 23.867 ( 11.285 -11.320 -0.534) 15.993 23.966 ( 1.683 1.637 -0.617) 2.428 25.475 ( 1.348 -2.180 8.239) 8.629 25.671 ( -1.325 -5.815 5.827) 8.338 26.798 ( 18.409 -28.141 -0.811) 33.637 27.581 ( -6.132 -30.377 0.716) 30.998 29.093 ( 11.481 53.729 -52.597) 76.060 29.161 ( 6.082 15.634 -9.211) 19.138 29.596 ( -3.926 13.658 1.789) 14.323 29.870 ( -8.256 32.824 -35.147) 48.794 31.302 ( 1.276 0.344 26.288) 26.322 31.406 ( 0.188 1.757 15.915) 16.013 32.490 ( 4.860 -4.480 28.701) 29.452 33.924 ( -52.261 -35.179 79.932) 101.774 ======================= Grid point 52 (21/105) ======================= q-point: ( 0.40 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 41.003 18.959 24.503) 51.391 2.858 ( 39.453 25.409 30.247) 55.830 3.415 ( -38.551 20.205 18.401) 47.255 3.696 ( -40.540 17.770 21.945) 49.405 4.265 ( 53.186 37.321 43.511) 78.197 5.294 ( -43.448 19.213 24.679) 53.534 7.151 ( 11.474 1.271 -2.264) 11.764 7.394 ( -8.133 -10.665 -2.206) 13.592 7.481 ( 7.196 -5.681 1.574) 9.302 7.664 ( -1.980 5.811 1.782) 6.393 7.783 ( 9.190 6.274 -2.806) 11.476 7.923 ( 1.465 -3.841 -1.992) 4.568 8.233 ( -1.621 1.913 -1.029) 2.710 8.332 ( 5.273 -2.869 -4.015) 7.222 8.559 ( -10.679 0.057 4.923) 11.759 8.792 ( -20.248 -5.683 -0.516) 21.036 9.261 ( 3.581 0.548 -2.984) 4.693 9.325 ( -0.916 3.390 -1.215) 3.715 9.891 ( 15.156 4.494 -3.773) 16.252 10.164 ( -11.041 1.948 -5.437) 12.461 10.508 ( 14.014 11.262 -0.607) 17.988 10.739 ( -9.316 9.670 -3.222) 13.808 11.237 ( 6.729 -7.914 -15.949) 19.033 11.266 ( 6.751 -10.628 -11.767) 17.233 11.454 ( -1.228 -2.844 -5.562) 6.366 11.494 ( 7.174 -4.878 -4.627) 9.832 11.576 ( -8.793 -6.724 -8.455) 13.929 11.642 ( -6.304 -4.048 -5.844) 9.501 11.987 ( 4.142 -1.324 -8.047) 9.147 12.069 ( -3.308 0.211 -13.179) 13.590 12.403 ( 11.593 -0.684 -7.963) 14.081 12.568 ( -5.307 -2.606 -7.130) 9.263 13.109 ( 1.122 -1.376 -9.901) 10.059 13.138 ( -1.626 0.723 -11.978) 12.110 13.264 ( 4.641 -2.308 13.604) 14.558 13.388 ( -7.154 -3.377 14.824) 16.803 13.584 ( 1.558 -1.285 0.248) 2.035 13.635 ( -2.880 -0.009 -2.534) 3.836 14.020 ( 1.372 -1.222 -7.079) 7.313 14.033 ( -0.489 1.952 -6.896) 7.184 14.535 ( 2.650 -1.463 0.539) 3.075 14.575 ( -0.893 -2.089 0.846) 2.425 14.723 ( 2.714 1.929 -1.415) 3.618 14.779 ( -2.462 2.174 3.535) 4.825 15.084 ( 14.793 2.241 0.077) 14.962 15.339 ( -8.129 -7.621 1.437) 11.235 15.854 ( 5.873 5.057 19.731) 21.199 16.021 ( -8.204 8.100 13.249) 17.563 16.156 ( -1.588 2.012 5.758) 6.303 16.231 ( -5.221 -2.759 7.202) 9.313 16.632 ( 4.713 3.910 3.493) 7.050 16.747 ( -5.830 2.462 0.281) 6.334 16.957 ( 4.328 3.469 6.924) 8.872 17.033 ( -3.002 3.283 5.289) 6.911 17.471 ( 7.296 -7.414 2.804) 10.773 17.629 ( -8.084 -10.030 8.740) 15.567 18.084 ( 1.237 -7.228 10.365) 12.697 18.115 ( -1.457 -8.618 10.938) 14.001 20.064 ( 4.454 -22.390 -2.921) 23.014 20.181 ( -6.212 -21.613 -4.143) 22.866 20.744 ( 2.318 9.103 -2.860) 9.819 20.799 ( -2.871 11.080 -3.957) 12.111 21.131 ( 5.133 22.025 -8.294) 24.088 21.246 ( -6.528 22.158 -9.961) 25.155 22.335 ( 4.838 3.822 -16.264) 17.394 22.423 ( -3.722 2.645 -19.079) 19.618 22.829 ( 2.505 -0.425 -9.817) 10.140 22.887 ( -2.637 -0.176 -17.348) 17.549 22.982 ( 5.940 -1.906 1.701) 6.466 23.125 ( -7.465 -2.070 7.411) 10.721 23.988 ( 2.241 -3.664 -0.679) 4.349 24.000 ( 1.020 -2.369 -0.963) 2.754 25.531 ( 3.843 -4.228 7.894) 9.744 25.614 ( -3.926 -5.343 7.417) 9.948 27.142 ( 14.908 -32.093 -0.494) 35.390 27.404 ( -11.029 -30.724 0.571) 32.648 29.301 ( 7.907 15.105 -8.061) 18.860 29.353 ( 9.897 32.945 -36.736) 50.328 29.500 ( -3.269 16.461 -4.605) 17.403 29.659 ( -11.831 30.117 -32.687) 45.994 31.341 ( 2.443 0.933 23.504) 23.649 31.389 ( -1.890 1.419 19.395) 19.539 32.670 ( 13.753 -5.766 40.088) 42.772 33.089 ( -29.367 -11.193 60.437) 68.121 ======================= Grid point 55 (22/105) ======================= q-point: ( 0.00 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.000 47.783 24.456) 53.678 2.757 ( 0.000 50.153 36.258) 61.886 4.272 ( 0.000 82.312 44.835) 93.731 5.054 ( 0.000 29.203 13.712) 32.262 5.364 ( 0.000 35.246 23.792) 42.525 5.491 ( 0.000 -10.555 -6.539) 12.416 6.735 ( 0.000 -17.032 4.513) 17.620 6.953 ( 0.000 -0.577 -0.234) 0.623 7.134 ( 0.000 -26.337 -0.763) 26.348 7.524 ( 0.000 -27.045 -3.683) 27.294 8.153 ( 0.000 -0.048 -7.163) 7.163 8.167 ( 0.000 10.470 -4.836) 11.533 8.280 ( 0.000 32.852 11.731) 34.884 8.587 ( 0.000 -13.520 2.371) 13.727 8.708 ( 0.000 0.326 -2.081) 2.106 8.982 ( 0.000 -1.329 -7.888) 8.000 9.559 ( 0.000 10.600 -9.793) 14.432 9.607 ( 0.000 -7.375 2.461) 7.774 9.735 ( 0.000 16.525 -3.191) 16.831 10.031 ( 0.000 15.432 6.609) 16.788 10.373 ( 0.000 1.844 -6.534) 6.790 10.595 ( 0.000 -24.091 1.146) 24.119 10.919 ( 0.000 -6.810 -3.707) 7.754 11.187 ( 0.000 3.090 -10.420) 10.868 11.295 ( 0.000 6.677 -13.093) 14.698 11.429 ( 0.000 -13.239 -8.253) 15.601 11.753 ( 0.000 10.443 -16.328) 19.382 11.780 ( 0.000 -3.208 -2.350) 3.977 11.794 ( 0.000 -3.075 2.800) 4.159 12.149 ( 0.000 10.619 -9.593) 14.311 12.167 ( 0.000 5.271 -7.337) 9.034 12.580 ( 0.000 -8.586 -15.472) 17.695 12.951 ( 0.000 -2.771 22.122) 22.295 13.060 ( 0.000 -3.640 -10.784) 11.382 13.218 ( 0.000 -12.059 4.618) 12.913 13.244 ( 0.000 2.159 -17.065) 17.202 13.636 ( 0.000 -3.710 1.171) 3.891 13.681 ( 0.000 -3.333 10.745) 11.250 13.929 ( 0.000 -0.720 6.981) 7.018 14.093 ( 0.000 -1.121 -1.185) 1.631 14.550 ( 0.000 11.908 0.728) 11.930 14.659 ( 0.000 0.687 9.962) 9.986 14.683 ( 0.000 6.047 -7.361) 9.526 14.725 ( 0.000 0.888 6.019) 6.084 14.961 ( 0.000 1.010 1.812) 2.074 15.116 ( 0.000 -4.418 -16.606) 17.184 15.745 ( 0.000 -2.445 24.455) 24.577 15.998 ( 0.000 -0.517 0.819) 0.968 16.123 ( 0.000 -11.260 15.709) 19.328 16.610 ( 0.000 -6.062 11.626) 13.111 16.795 ( 0.000 4.066 3.135) 5.134 16.874 ( 0.000 1.044 -1.573) 1.887 16.919 ( 0.000 -7.385 7.338) 10.411 17.009 ( 0.000 5.592 4.878) 7.420 17.187 ( 0.000 -4.680 -0.727) 4.737 17.320 ( 0.000 -18.077 11.136) 21.232 18.041 ( 0.000 -1.977 7.225) 7.490 18.535 ( 0.000 18.061 -7.575) 19.585 19.575 ( 0.000 -23.862 9.344) 25.626 20.051 ( 0.000 -7.724 -6.562) 10.135 20.925 ( 0.000 9.274 -5.619) 10.844 21.236 ( 0.000 15.967 -1.702) 16.058 21.250 ( 0.000 13.438 -21.292) 25.178 21.599 ( 0.000 3.516 -11.390) 11.921 22.334 ( 0.000 7.209 -11.359) 13.454 22.546 ( 0.000 2.880 -19.684) 19.893 22.758 ( 0.000 -2.062 5.465) 5.841 22.874 ( 0.000 -0.372 -8.218) 8.226 22.908 ( 0.000 -2.709 -22.369) 22.532 23.284 ( 0.000 0.463 9.548) 9.559 23.551 ( 0.000 -5.519 1.443) 5.705 24.015 ( 0.000 3.694 -1.649) 4.045 25.447 ( 0.000 -1.336 7.177) 7.301 25.567 ( 0.000 -5.386 3.359) 6.348 26.205 ( 0.000 -19.445 3.280) 19.719 26.939 ( 0.000 -39.111 2.929) 39.221 29.456 ( 0.000 19.569 -10.139) 22.040 29.686 ( 0.000 19.729 -27.610) 33.935 29.971 ( 0.000 18.934 0.875) 18.954 30.649 ( 0.000 25.529 -45.484) 52.159 31.319 ( 0.000 4.390 22.605) 23.028 31.463 ( 0.000 5.039 16.411) 17.167 32.331 ( 0.000 -7.098 22.493) 23.587 33.531 ( 0.000 -44.216 64.863) 78.500 ======================= Grid point 56 (23/105) ======================= q-point: ( 0.20 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 18.955 41.735 22.881) 51.231 2.968 ( 19.766 46.225 33.486) 60.405 4.565 ( 21.463 72.295 37.275) 84.123 4.643 ( -31.301 25.090 13.292) 42.260 4.813 ( -27.387 22.696 16.819) 39.345 5.950 ( 15.381 19.515 8.200) 26.165 6.725 ( 0.251 -20.729 3.004) 20.947 7.002 ( -4.507 -35.856 1.109) 36.155 7.262 ( 19.012 6.934 1.029) 20.263 7.576 ( 4.941 -24.519 -2.650) 25.151 8.057 ( -10.001 12.707 0.922) 16.196 8.084 ( -6.933 16.581 -1.870) 18.070 8.253 ( 1.046 12.781 1.589) 12.921 8.505 ( -8.406 -5.521 -1.116) 10.119 8.722 ( -2.021 1.336 -2.814) 3.713 8.885 ( -8.561 -2.859 -1.999) 9.244 9.281 ( -10.988 -3.834 -1.571) 11.743 9.627 ( -6.950 15.888 -5.321) 18.140 9.773 ( 9.965 9.408 -2.599) 13.948 10.257 ( 5.987 0.439 -2.408) 6.468 10.462 ( 12.747 12.317 -2.322) 17.877 10.697 ( 8.902 -26.504 0.930) 27.974 10.932 ( 1.473 -5.676 -5.526) 8.057 11.106 ( -5.463 3.625 -11.507) 13.243 11.344 ( 0.979 -4.889 -13.429) 14.325 11.450 ( 1.239 -8.201 -5.424) 9.910 11.571 ( -9.896 1.137 -3.348) 10.509 11.732 ( -4.393 1.337 -6.120) 7.651 11.890 ( 4.543 2.514 -5.577) 7.619 12.120 ( -1.823 1.742 -12.817) 13.063 12.269 ( 7.457 7.124 -4.433) 11.225 12.575 ( -0.475 -4.118 -9.593) 10.450 13.003 ( 3.797 -4.101 10.434) 11.837 13.095 ( 1.987 -5.289 -5.134) 7.634 13.203 ( 0.475 0.641 -6.396) 6.446 13.293 ( 3.215 -7.498 -5.672) 9.936 13.610 ( -4.281 -1.214 7.988) 9.144 13.634 ( -2.928 -5.339 3.116) 6.841 13.937 ( 2.125 -1.280 1.875) 3.110 14.098 ( -0.170 -0.111 0.547) 0.583 14.549 ( -0.731 7.171 4.353) 8.421 14.578 ( -2.529 2.851 0.611) 3.859 14.704 ( 1.508 0.659 -3.409) 3.785 14.862 ( 4.789 4.894 12.373) 14.141 14.923 ( 2.053 0.633 -11.578) 11.776 15.191 ( 4.873 -4.114 -8.931) 10.974 15.779 ( 3.471 -2.566 23.236) 23.634 16.025 ( 2.529 0.460 1.894) 3.193 16.108 ( -1.609 -10.840 14.750) 18.376 16.575 ( -4.546 -1.435 5.701) 7.431 16.688 ( -8.029 2.822 2.932) 9.001 16.827 ( -0.511 -0.543 2.340) 2.456 16.968 ( 1.890 1.735 9.575) 9.913 17.076 ( 4.181 -0.384 6.066) 7.378 17.192 ( 0.851 -6.437 -0.801) 6.542 17.323 ( 0.032 -18.779 10.835) 21.681 18.036 ( -0.360 -0.836 6.981) 7.040 18.388 ( -12.371 18.200 -1.641) 22.067 19.567 ( 1.031 -22.273 4.947) 22.839 19.998 ( -5.920 -11.243 -5.496) 13.845 20.914 ( 0.485 10.414 -4.778) 11.468 21.149 ( -4.304 15.921 -6.688) 17.797 21.376 ( 6.699 13.941 -15.099) 21.614 21.593 ( -0.777 6.107 -12.595) 14.019 22.370 ( 3.186 7.467 -12.455) 14.867 22.535 ( -1.144 3.609 -18.836) 19.213 22.772 ( 1.723 -0.746 -0.258) 1.896 22.880 ( 1.575 0.184 -6.012) 6.218 22.906 ( -0.763 -2.613 -21.045) 21.220 23.233 ( -4.860 0.773 9.581) 10.771 23.681 ( 10.292 -8.442 0.688) 13.329 24.010 ( -0.666 2.262 -1.560) 2.827 25.437 ( -0.286 -1.591 6.551) 6.748 25.554 ( -1.545 -5.682 4.644) 7.499 26.306 ( 9.137 -23.343 2.952) 25.241 26.888 ( -5.007 -37.883 2.985) 38.329 29.508 ( 4.893 19.044 -8.567) 21.448 29.752 ( 6.415 20.111 -27.645) 34.783 29.924 ( -4.378 18.477 0.375) 18.992 30.519 ( -11.771 25.276 -40.202) 48.925 31.339 ( 1.904 4.499 22.337) 22.865 31.471 ( 0.123 5.285 15.703) 16.569 32.368 ( 4.017 -7.712 25.931) 27.350 33.257 ( -22.351 -30.991 61.248) 72.190 ======================= Grid point 57 (24/105) ======================= q-point: ( 0.40 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 33.388 29.865 18.719) 48.550 3.488 ( 27.964 37.290 27.219) 53.976 3.846 ( -36.610 22.978 13.770) 45.364 4.182 ( -33.510 30.913 20.403) 49.948 5.265 ( 37.156 61.128 30.361) 77.710 5.903 ( -20.772 41.515 19.029) 50.171 6.770 ( 3.937 -29.826 2.344) 30.176 6.875 ( -6.301 -34.549 2.549) 35.211 7.637 ( 11.081 -3.248 -0.781) 11.574 7.736 ( 7.292 -7.669 5.538) 11.944 7.920 ( 4.002 8.086 -4.995) 10.313 8.018 ( 2.082 13.766 -3.848) 14.445 8.253 ( -6.354 -0.306 -1.964) 6.657 8.271 ( -11.355 2.952 -2.869) 12.078 8.580 ( -5.396 4.611 0.885) 7.153 8.670 ( -10.418 1.019 2.055) 10.667 9.288 ( 8.147 2.429 -2.675) 8.912 9.470 ( -8.501 9.935 -4.305) 13.766 10.008 ( 11.885 6.648 -4.965) 14.495 10.211 ( -7.305 2.386 -4.866) 9.096 10.727 ( 9.794 1.280 -6.141) 11.630 10.863 ( -0.715 -7.677 -4.034) 8.702 10.987 ( 7.745 -8.151 -7.353) 13.434 11.050 ( 1.542 -8.144 -9.787) 12.825 11.273 ( -5.053 -14.218 -7.132) 16.690 11.336 ( -9.414 -3.381 6.561) 11.963 11.553 ( 4.217 2.721 -9.462) 10.711 11.639 ( -4.340 2.649 -8.178) 9.630 11.982 ( 4.551 1.374 -7.887) 9.209 12.066 ( -3.494 -0.072 -11.103) 11.640 12.429 ( 7.544 2.087 -3.502) 8.575 12.543 ( -3.358 -0.587 -4.258) 5.455 13.067 ( 2.324 -2.451 0.615) 3.433 13.101 ( -1.012 -4.724 -0.589) 4.867 13.255 ( 4.081 2.038 -5.696) 7.297 13.328 ( -1.335 -4.519 -2.335) 5.259 13.524 ( -1.249 -3.314 4.821) 5.982 13.567 ( -3.767 -5.854 -0.554) 6.984 14.010 ( 4.008 -1.323 0.057) 4.221 14.074 ( -2.200 0.170 0.412) 2.245 14.535 ( 0.401 2.571 0.927) 2.762 14.556 ( -1.060 2.307 0.645) 2.619 14.745 ( 2.686 0.728 -2.709) 3.884 14.812 ( -3.787 1.393 1.041) 4.167 15.118 ( 9.844 1.044 -4.035) 10.690 15.238 ( -1.441 -2.800 -4.261) 5.298 15.885 ( 6.713 -4.189 19.976) 21.486 16.016 ( -5.171 -7.557 16.941) 19.258 16.142 ( 7.188 3.301 0.057) 7.910 16.355 ( -13.080 7.651 -1.340) 15.213 16.674 ( 3.639 -1.051 6.987) 7.948 16.767 ( -4.715 -1.333 3.746) 6.168 17.035 ( 3.937 3.598 8.613) 10.131 17.099 ( -1.773 2.785 7.151) 7.876 17.243 ( 3.702 -13.519 4.633) 14.763 17.306 ( -2.037 -17.938 9.452) 20.377 18.045 ( 2.042 3.696 6.295) 7.580 18.151 ( -8.983 12.253 4.534) 15.856 19.651 ( 7.046 -19.443 -0.510) 20.687 19.828 ( -9.639 -15.866 -3.509) 18.893 20.964 ( 3.979 12.690 -4.214) 13.951 21.056 ( -4.804 14.750 -4.832) 16.248 21.492 ( 4.574 13.419 -14.928) 20.588 21.562 ( -2.426 10.590 -14.139) 17.831 22.441 ( 3.430 6.595 -15.114) 16.843 22.500 ( -2.324 5.056 -17.152) 18.032 22.824 ( 2.858 -0.190 -13.705) 14.001 22.875 ( -2.129 -1.486 -19.717) 19.887 22.956 ( 6.006 0.254 4.807) 7.697 23.102 ( -7.548 0.890 9.235) 11.961 23.872 ( 7.495 -6.752 -0.640) 10.109 23.976 ( -3.035 -1.658 -1.302) 3.695 25.453 ( 1.889 -3.269 6.120) 7.191 25.505 ( -2.916 -5.077 5.734) 8.195 26.526 ( 11.553 -29.841 2.903) 32.131 26.741 ( -9.263 -34.666 3.025) 36.009 29.639 ( 7.577 18.224 -5.245) 20.422 29.793 ( -7.009 18.395 -3.358) 19.969 29.951 ( 11.813 21.047 -26.533) 35.868 30.233 ( -15.151 23.739 -31.872) 42.532 31.391 ( 3.004 4.818 20.908) 21.665 31.448 ( -2.318 5.197 17.857) 18.741 32.514 ( 10.797 -9.875 34.446) 37.425 32.814 ( -19.021 -15.995 47.858) 53.926 ======================= Grid point 60 (25/105) ======================= q-point: ( 0.00 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 0.000 51.368 16.282) 53.886 3.771 ( 0.000 53.173 23.834) 58.270 5.367 ( 0.000 -0.475 0.042) 0.476 5.603 ( 0.000 29.173 16.401) 33.467 5.846 ( 0.000 1.566 10.163) 10.283 5.854 ( 0.000 70.923 29.345) 76.754 6.263 ( 0.000 -39.702 5.668) 40.104 6.589 ( 0.000 -13.822 4.821) 14.639 7.018 ( 0.000 1.673 3.994) 4.330 7.280 ( 0.000 15.278 0.302) 15.281 7.792 ( 0.000 -27.760 -5.401) 28.281 8.280 ( 0.000 -13.991 0.092) 13.991 8.421 ( 0.000 9.974 -3.357) 10.523 8.699 ( 0.000 -2.365 0.013) 2.365 8.816 ( 0.000 11.066 -0.806) 11.095 9.234 ( 0.000 21.929 -4.664) 22.420 9.511 ( 0.000 6.728 10.107) 12.141 9.770 ( 0.000 10.241 -13.541) 16.978 9.917 ( 0.000 -42.837 6.687) 43.356 10.043 ( 0.000 12.886 -7.411) 14.865 10.192 ( 0.000 0.782 -0.370) 0.865 10.557 ( 0.000 13.389 0.971) 13.424 10.834 ( 0.000 -1.162 -5.314) 5.440 10.989 ( 0.000 -23.658 -6.720) 24.594 11.192 ( 0.000 -2.049 -16.731) 16.856 11.460 ( 0.000 -0.443 -7.707) 7.720 11.698 ( 0.000 -3.287 -13.122) 13.527 11.725 ( 0.000 -3.440 7.854) 8.574 11.988 ( 0.000 13.138 -12.361) 18.039 12.313 ( 0.000 8.267 -1.816) 8.464 12.314 ( 0.000 5.744 -10.296) 11.789 12.452 ( 0.000 -2.778 -11.073) 11.416 12.903 ( 0.000 -3.470 10.928) 11.466 12.946 ( 0.000 -8.294 -4.324) 9.354 13.001 ( 0.000 -9.017 5.729) 10.683 13.304 ( 0.000 3.474 -11.174) 11.702 13.530 ( 0.000 -10.392 11.395) 15.422 13.598 ( 0.000 0.090 -7.998) 7.998 13.898 ( 0.000 -2.177 -0.888) 2.351 14.057 ( 0.000 -3.018 -8.271) 8.805 14.689 ( 0.000 1.904 5.042) 5.390 14.743 ( 0.000 3.918 6.178) 7.316 14.798 ( 0.000 7.536 2.536) 7.951 14.852 ( 0.000 13.682 1.803) 13.801 14.997 ( 0.000 3.648 -0.956) 3.771 15.102 ( 0.000 1.459 -4.110) 4.361 15.622 ( 0.000 -9.745 15.941) 18.684 15.876 ( 0.000 -14.019 17.788) 22.648 15.998 ( 0.000 0.288 0.898) 0.943 16.386 ( 0.000 -14.592 4.303) 15.213 16.765 ( 0.000 -6.904 6.526) 9.500 16.828 ( 0.000 -6.377 1.408) 6.530 16.890 ( 0.000 4.907 4.988) 6.997 17.107 ( 0.000 -1.795 5.362) 5.655 17.109 ( 0.000 4.034 7.490) 8.507 17.137 ( 0.000 -2.548 5.902) 6.428 18.110 ( 0.000 9.002 3.122) 9.528 18.828 ( 0.000 7.196 -9.865) 12.211 19.228 ( 0.000 -8.189 9.368) 12.442 19.877 ( 0.000 -10.275 -5.263) 11.544 21.091 ( 0.000 7.561 -6.838) 10.194 21.365 ( 0.000 -0.072 -17.273) 17.274 21.540 ( 0.000 13.863 -7.598) 15.808 21.706 ( 0.000 6.213 -11.846) 13.376 22.488 ( 0.000 7.957 -14.515) 16.553 22.620 ( 0.000 4.462 -16.555) 17.146 22.758 ( 0.000 0.991 -7.845) 7.907 22.837 ( 0.000 -4.345 -21.213) 21.653 22.894 ( 0.000 2.880 1.246) 3.138 23.343 ( 0.000 2.941 5.895) 6.588 23.431 ( 0.000 -3.285 4.466) 5.545 24.055 ( 0.000 -0.902 -2.835) 2.975 25.429 ( 0.000 -0.151 5.433) 5.435 25.482 ( 0.000 -2.826 3.851) 4.776 25.845 ( 0.000 -16.394 4.065) 16.890 26.204 ( 0.000 -34.135 6.113) 34.678 29.797 ( 0.000 14.285 -9.891) 17.375 29.948 ( 0.000 8.565 -17.424) 19.416 30.332 ( 0.000 17.242 -1.017) 17.272 30.882 ( 0.000 1.366 -15.775) 15.834 31.490 ( 0.000 11.401 7.966) 13.908 31.602 ( 0.000 9.085 19.616) 21.618 32.186 ( 0.000 -7.147 18.398) 19.738 32.841 ( 0.000 -28.571 45.307) 53.563 ======================= Grid point 61 (26/105) ======================= q-point: ( 0.20 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 10.072 47.418 16.073) 51.071 3.921 ( 14.159 50.642 22.853) 57.335 4.932 ( -30.880 12.845 6.759) 34.121 5.363 ( -20.902 31.945 15.883) 41.348 6.024 ( 14.622 49.085 22.862) 56.087 6.046 ( 7.472 -16.726 5.641) 19.168 6.238 ( -0.333 -23.815 8.186) 25.184 6.645 ( 5.335 -6.843 6.102) 10.607 7.104 ( 7.723 4.142 4.560) 9.879 7.441 ( 11.261 6.026 5.422) 13.875 7.722 ( -3.127 -21.301 -7.643) 22.846 8.312 ( 2.195 -9.424 -1.694) 9.824 8.401 ( -2.562 6.838 -3.179) 7.964 8.756 ( 0.557 4.596 -3.241) 5.652 8.807 ( -2.422 22.023 4.693) 22.648 9.097 ( -10.487 12.707 -4.347) 17.039 9.237 ( -11.698 10.309 4.924) 16.351 9.877 ( -4.868 2.806 -7.588) 9.442 9.935 ( 6.969 5.505 -5.668) 10.535 10.048 ( 4.897 -32.724 3.494) 33.273 10.239 ( 2.185 -2.634 -1.447) 3.715 10.637 ( 4.661 2.780 -4.073) 6.785 10.895 ( 2.929 0.632 -6.272) 6.951 10.956 ( -4.077 -21.457 -7.233) 23.008 11.089 ( -4.980 -3.759 -10.574) 12.277 11.469 ( 1.129 0.581 -1.736) 2.151 11.641 ( -2.254 5.337 -10.597) 12.077 11.745 ( -1.378 -2.090 -3.361) 4.191 12.015 ( 2.236 10.092 -8.790) 13.568 12.198 ( -5.623 6.395 -8.542) 12.061 12.379 ( 2.988 4.205 -1.110) 5.276 12.506 ( 2.864 -2.495 -7.695) 8.582 12.908 ( 2.157 -6.177 5.323) 8.435 12.983 ( 2.279 -5.750 1.403) 6.342 13.070 ( 5.409 -9.352 -1.230) 10.873 13.308 ( 0.054 2.957 -9.663) 10.106 13.482 ( -3.142 -8.031 4.847) 9.892 13.612 ( -0.583 1.844 -5.997) 6.301 13.884 ( 0.030 -4.074 -2.402) 4.730 14.049 ( -1.087 -4.406 -4.488) 6.383 14.663 ( -1.960 5.777 5.855) 8.456 14.728 ( 0.758 2.568 -2.009) 3.347 14.757 ( -3.234 11.001 8.225) 14.112 14.928 ( -2.840 2.256 9.333) 10.013 14.981 ( 7.171 6.271 -9.658) 13.565 15.174 ( 4.360 1.555 -1.460) 4.854 15.650 ( 2.697 -10.057 15.084) 18.328 15.862 ( -1.525 -13.700 16.724) 21.672 16.055 ( 5.594 1.350 0.633) 5.789 16.415 ( 2.815 -12.521 3.797) 13.383 16.685 ( -7.383 -3.234 2.971) 8.591 16.773 ( -4.028 -6.146 4.379) 8.554 16.944 ( 3.782 0.481 6.614) 7.634 17.102 ( -0.250 -1.479 6.001) 6.186 17.121 ( 0.609 1.498 6.849) 7.037 17.136 ( -0.190 -1.581 6.655) 6.843 18.136 ( 2.824 10.692 3.037) 11.468 18.742 ( -9.919 15.890 -5.777) 19.602 19.190 ( 0.055 -15.480 5.920) 16.573 19.772 ( -9.845 -12.375 -4.459) 16.430 21.113 ( 3.163 9.704 -6.625) 12.168 21.425 ( 0.672 8.432 -14.511) 16.796 21.531 ( 2.281 5.735 -9.879) 11.649 21.713 ( 0.261 5.721 -13.086) 14.285 22.517 ( 2.413 7.141 -15.246) 17.007 22.620 ( -0.262 4.662 -15.978) 16.646 22.776 ( 1.585 0.206 -11.892) 11.999 22.835 ( -0.287 -4.191 -20.352) 20.781 22.918 ( 2.965 4.506 4.048) 6.744 23.317 ( -3.913 8.181 7.863) 12.003 23.510 ( 8.356 -9.294 2.051) 12.665 24.020 ( -3.541 -2.443 -2.480) 4.965 25.420 ( -0.558 0.183 5.060) 5.094 25.468 ( -1.330 -2.643 4.354) 5.264 25.894 ( 4.496 -18.262 4.315) 19.295 26.184 ( -2.071 -32.363 5.979) 32.976 29.841 ( 4.283 14.127 -8.396) 16.983 30.023 ( 7.276 8.668 -17.725) 21.030 30.275 ( -5.410 16.631 -1.323) 17.539 30.777 ( -9.917 3.124 -17.143) 20.050 31.498 ( 1.256 10.804 13.142) 17.059 31.622 ( 0.817 10.074 16.200) 19.095 32.202 ( 2.194 -8.739 21.373) 23.195 32.723 ( -10.320 -24.018 42.536) 49.927 ======================= Grid point 62 (27/105) ======================= q-point: ( 0.40 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 21.864 37.202 14.741) 45.599 4.210 ( -10.691 31.946 15.956) 37.275 4.398 ( 3.977 38.281 15.623) 41.537 4.863 ( -26.566 38.187 16.951) 49.510 6.098 ( 0.221 -33.284 4.901) 33.644 6.117 ( -1.687 -36.241 6.169) 36.801 6.499 ( 19.238 50.221 18.290) 56.805 6.725 ( -1.187 14.770 9.049) 17.362 7.267 ( 7.371 -3.189 5.990) 10.020 7.427 ( -8.352 -20.954 5.706) 23.268 7.929 ( 18.563 4.326 -3.951) 19.466 8.267 ( -11.459 3.043 -4.095) 12.543 8.355 ( 2.021 2.150 -1.884) 3.501 8.504 ( -15.671 18.443 4.627) 24.640 8.783 ( 4.291 17.964 -1.223) 18.510 8.935 ( -9.681 23.033 -1.307) 25.019 9.326 ( 15.794 -0.160 -2.684) 16.021 9.653 ( -14.716 7.004 -6.743) 17.638 10.104 ( 6.785 -1.298 -4.392) 8.186 10.173 ( 2.071 -20.086 -0.361) 20.196 10.301 ( 9.374 -16.885 0.601) 19.322 10.598 ( -14.092 -16.235 -7.489) 22.765 10.789 ( 0.619 -13.179 -8.652) 15.777 10.867 ( -4.586 -17.305 -8.945) 20.012 11.240 ( 12.032 11.765 -0.920) 16.853 11.438 ( -6.113 8.307 0.183) 10.315 11.631 ( 1.786 4.117 -11.217) 12.081 11.688 ( -3.321 0.769 -9.094) 9.712 12.062 ( 2.312 7.257 -5.888) 9.627 12.112 ( -2.969 5.987 -6.888) 9.597 12.449 ( 3.795 -0.255 0.344) 3.819 12.515 ( -1.996 -2.553 -1.046) 3.406 12.980 ( 3.866 -6.208 1.471) 7.460 13.021 ( 0.448 -3.339 2.856) 4.417 13.173 ( 4.949 -10.217 -6.981) 13.328 13.273 ( -4.102 -4.458 -5.544) 8.212 13.461 ( 2.208 1.050 -4.513) 5.133 13.547 ( -4.997 4.271 -7.389) 9.890 13.931 ( 3.904 -6.565 -1.682) 7.822 14.007 ( -3.094 -6.250 -1.457) 7.124 14.649 ( 0.809 8.173 3.700) 9.008 14.690 ( -2.985 9.547 4.974) 11.171 14.768 ( 3.080 2.052 0.721) 3.771 14.845 ( -4.292 2.169 3.615) 6.016 15.140 ( 6.700 2.000 -2.306) 7.363 15.219 ( -0.723 0.780 -0.511) 1.180 15.724 ( 4.304 -11.187 13.799) 18.277 15.809 ( -3.675 -12.673 14.539) 19.634 16.220 ( 10.349 2.907 -0.203) 10.751 16.429 ( -7.183 -0.461 -1.409) 7.334 16.564 ( 1.622 -8.484 6.685) 10.923 16.669 ( -6.000 -8.374 5.881) 11.862 17.024 ( 3.789 -2.228 7.161) 8.402 17.084 ( -1.886 -3.484 6.309) 7.450 17.128 ( 0.253 -0.069 7.194) 7.199 17.133 ( -0.124 0.963 8.153) 8.211 18.242 ( 8.125 14.959 2.708) 17.237 18.471 ( -14.066 18.813 0.854) 23.506 19.294 ( 9.291 -17.669 -0.114) 19.963 19.527 ( -12.935 -15.491 -2.777) 20.371 21.216 ( 6.308 12.578 -6.664) 15.569 21.345 ( -6.057 14.050 -7.905) 17.222 21.631 ( 4.882 1.538 -15.350) 16.181 21.699 ( -1.899 3.858 -14.853) 15.463 22.567 ( 2.247 5.799 -15.661) 16.851 22.604 ( -1.349 5.056 -15.452) 16.314 22.805 ( 1.130 -1.913 -17.105) 17.248 22.824 ( -0.753 -3.439 -19.025) 19.348 23.030 ( 7.662 7.629 7.426) 13.117 23.194 ( -7.750 8.740 7.896) 14.100 23.717 ( 10.729 -9.517 0.314) 14.345 23.907 ( -7.622 -6.193 -1.391) 9.918 25.417 ( 0.364 -0.070 4.813) 4.827 25.436 ( -1.478 -1.452 4.755) 5.187 26.006 ( 6.006 -22.795 4.963) 24.090 26.117 ( -4.558 -28.030 5.589) 28.942 29.964 ( 7.589 14.378 -5.446) 17.146 30.128 ( -7.950 15.394 -3.445) 17.664 30.234 ( 12.550 8.139 -17.257) 22.838 30.518 ( -14.514 6.197 -17.980) 23.924 31.544 ( 3.082 10.623 16.468) 19.837 31.605 ( -2.429 10.829 15.961) 19.440 32.297 ( 7.342 -12.040 27.396) 30.812 32.491 ( -11.351 -16.745 35.045) 40.465 ======================= Grid point 65 (28/105) ======================= q-point: ( 0.00 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 0.000 51.505 11.323) 52.735 4.810 ( 0.000 52.184 13.593) 53.925 5.296 ( 0.000 -43.621 6.640) 44.123 5.456 ( 0.000 2.810 5.938) 6.569 5.644 ( 0.000 -14.423 5.741) 15.523 5.828 ( 0.000 -47.202 7.582) 47.807 6.228 ( 0.000 33.017 13.601) 35.708 6.785 ( 0.000 -11.051 14.864) 18.522 7.538 ( 0.000 20.519 6.370) 21.485 7.654 ( 0.000 33.882 2.344) 33.963 7.772 ( 0.000 43.741 2.144) 43.794 7.986 ( 0.000 -9.229 4.886) 10.443 8.452 ( 0.000 -27.725 5.130) 28.195 8.609 ( 0.000 7.632 -4.131) 8.679 8.733 ( 0.000 -5.993 -5.004) 7.807 8.911 ( 0.000 -58.476 10.226) 59.363 9.723 ( 0.000 25.222 -5.258) 25.764 9.850 ( 0.000 16.410 1.634) 16.491 9.936 ( 0.000 4.766 -11.621) 12.560 10.104 ( 0.000 -10.800 -4.775) 11.808 10.232 ( 0.000 8.384 -4.789) 9.656 10.506 ( 0.000 -20.182 -1.821) 20.264 10.833 ( 0.000 8.934 -3.346) 9.540 10.876 ( 0.000 4.016 -9.284) 10.116 11.141 ( 0.000 -1.134 -13.344) 13.392 11.275 ( 0.000 -13.269 -5.070) 14.204 11.677 ( 0.000 -0.653 -10.876) 10.895 11.679 ( 0.000 -1.160 4.025) 4.189 12.243 ( 0.000 12.247 -5.787) 13.545 12.397 ( 0.000 3.588 -3.920) 5.314 12.412 ( 0.000 0.630 1.132) 1.296 12.437 ( 0.000 -2.981 -6.483) 7.136 12.789 ( 0.000 -5.130 -8.291) 9.750 12.807 ( 0.000 -5.230 -3.110) 6.085 12.959 ( 0.000 7.108 8.620) 11.173 13.198 ( 0.000 -13.668 8.157) 15.917 13.492 ( 0.000 5.982 -9.348) 11.098 13.592 ( 0.000 -2.586 -8.673) 9.051 13.885 ( 0.000 2.050 -13.207) 13.365 13.970 ( 0.000 -5.416 -14.542) 15.518 14.732 ( 0.000 2.380 6.534) 6.954 14.767 ( 0.000 -0.718 6.738) 6.776 14.966 ( 0.000 6.398 10.651) 12.425 14.995 ( 0.000 1.902 12.645) 12.787 15.168 ( 0.000 7.040 0.631) 7.068 15.230 ( 0.000 17.396 2.762) 17.614 15.391 ( 0.000 -12.934 8.577) 15.520 15.575 ( 0.000 -16.754 13.826) 21.722 16.020 ( 0.000 2.660 0.293) 2.676 16.134 ( 0.000 -9.676 0.348) 9.682 16.675 ( 0.000 -1.700 4.818) 5.109 16.705 ( 0.000 -4.604 3.066) 5.531 16.986 ( 0.000 4.683 5.691) 7.370 17.065 ( 0.000 -3.249 6.240) 7.035 17.144 ( 0.000 1.626 6.556) 6.755 17.156 ( 0.000 0.749 7.942) 7.978 18.361 ( 0.000 15.593 0.916) 15.619 18.678 ( 0.000 -15.667 -1.650) 15.753 19.362 ( 0.000 14.536 -0.062) 14.536 19.645 ( 0.000 -13.505 -3.509) 13.953 21.220 ( 0.000 5.732 -9.019) 10.686 21.317 ( 0.000 -4.053 -12.214) 12.869 21.740 ( 0.000 6.197 -12.300) 13.773 21.785 ( 0.000 1.235 -13.551) 13.607 22.624 ( 0.000 5.821 -17.181) 18.141 22.693 ( 0.000 1.261 -15.002) 15.055 22.755 ( 0.000 -2.776 -17.708) 17.924 22.762 ( 0.000 -0.813 -13.055) 13.080 23.009 ( 0.000 8.788 5.388) 10.308 23.206 ( 0.000 -10.410 3.213) 10.895 23.627 ( 0.000 16.188 3.913) 16.655 23.931 ( 0.000 -12.250 -1.361) 12.325 25.458 ( 0.000 3.593 4.296) 5.601 25.481 ( 0.000 3.670 5.677) 6.760 25.587 ( 0.000 -9.823 4.143) 10.661 25.681 ( 0.000 -18.174 7.562) 19.684 29.996 ( 0.000 6.134 -10.303) 11.990 30.042 ( 0.000 1.273 -12.613) 12.677 30.624 ( 0.000 12.442 -2.629) 12.717 30.815 ( 0.000 -7.010 -4.852) 8.525 31.692 ( 0.000 8.436 11.267) 14.075 31.763 ( 0.000 3.724 22.109) 22.420 32.116 ( 0.000 3.556 15.803) 16.198 32.371 ( 0.000 -19.812 29.114) 35.216 ======================= Grid point 66 (29/105) ======================= q-point: ( 0.20 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( 3.835 48.782 11.464) 50.257 4.911 ( 8.602 49.015 13.323) 51.517 5.211 ( -12.513 5.121 5.632) 14.646 5.317 ( -3.891 -32.542 9.958) 34.253 5.589 ( -6.275 -23.361 6.037) 24.931 5.928 ( 8.912 -46.272 7.635) 47.737 6.046 ( -15.949 35.416 12.808) 40.899 6.700 ( -8.737 -24.089 11.078) 27.916 7.629 ( 9.212 31.734 7.540) 33.893 7.760 ( 7.875 33.369 3.545) 34.469 7.858 ( 7.981 28.455 0.138) 29.554 8.117 ( 11.720 0.668 4.244) 12.482 8.396 ( -4.513 -14.111 0.029) 14.816 8.772 ( 5.432 -0.124 -2.335) 5.913 8.805 ( 15.021 -6.732 -1.824) 16.561 9.022 ( 10.672 -54.885 10.887) 56.963 9.533 ( -16.634 25.653 -2.331) 30.662 9.696 ( -12.007 19.850 -0.909) 23.217 9.948 ( -7.270 -6.800 -6.482) 11.879 10.001 ( -5.211 -3.198 -4.734) 7.733 10.230 ( 0.523 4.831 -4.084) 6.348 10.485 ( -1.059 -19.701 -5.532) 20.490 10.693 ( -7.444 0.996 -5.062) 9.057 10.779 ( -12.639 -7.773 -10.230) 18.023 11.233 ( 11.872 12.274 -5.857) 18.052 11.429 ( 8.443 -6.094 -9.791) 14.293 11.681 ( 0.087 -0.570 -8.878) 8.896 11.694 ( 0.320 -1.518 -2.038) 2.561 12.233 ( -0.482 10.921 -3.016) 11.340 12.341 ( -3.204 6.959 -4.353) 8.812 12.403 ( -0.747 -2.862 3.230) 4.380 12.463 ( 0.388 -3.678 -1.795) 4.111 12.822 ( 2.971 -1.749 -5.048) 6.113 12.857 ( 5.130 -5.728 -6.435) 10.027 12.979 ( 1.172 3.449 3.530) 5.073 13.173 ( -2.407 -12.650 4.837) 13.756 13.515 ( 2.351 7.389 -9.853) 12.538 13.633 ( 3.473 -2.582 -8.198) 9.270 13.837 ( -4.069 1.815 -13.029) 13.770 13.938 ( -2.974 -6.472 -12.375) 14.278 14.743 ( 1.133 2.878 7.414) 8.033 14.774 ( 0.807 0.390 6.608) 6.669 14.929 ( -3.369 5.442 13.168) 14.641 14.962 ( -3.253 0.864 11.020) 11.523 15.171 ( 2.156 11.354 -1.602) 11.668 15.283 ( 2.728 11.527 3.942) 12.484 15.415 ( 2.335 -13.181 7.816) 15.501 15.572 ( -0.572 -15.733 12.461) 20.078 16.087 ( 6.430 2.673 0.322) 6.971 16.192 ( 5.505 -8.694 0.729) 10.316 16.624 ( -5.119 -1.482 3.462) 6.355 16.652 ( -4.961 -4.423 3.128) 7.345 17.003 ( 1.594 4.054 6.150) 7.537 17.074 ( 0.848 -2.770 6.812) 7.402 17.131 ( -1.165 1.617 7.225) 7.495 17.152 ( -0.549 0.078 7.975) 7.994 18.412 ( 5.192 16.476 0.880) 17.297 18.736 ( 5.740 -15.103 -1.968) 16.277 19.202 ( -13.979 14.854 0.583) 20.406 19.506 ( -12.458 -14.923 -2.968) 19.665 21.287 ( 6.236 7.957 -9.231) 13.690 21.416 ( 7.985 -4.927 -12.718) 15.805 21.697 ( -3.894 7.243 -11.537) 14.168 21.771 ( -1.764 -0.299 -13.805) 13.920 22.639 ( 1.220 5.337 -17.183) 18.034 22.697 ( 0.123 2.327 -14.573) 14.758 22.747 ( -0.303 -3.220 -17.865) 18.155 22.764 ( -0.158 -2.116 -14.342) 14.498 23.071 ( 6.045 10.428 5.409) 13.211 23.291 ( 7.888 -11.239 3.212) 14.101 23.575 ( -5.051 15.602 4.086) 16.900 23.874 ( -5.526 -12.674 -0.799) 13.849 25.459 ( 0.203 4.289 4.339) 6.104 25.478 ( -0.242 4.562 5.536) 7.177 25.607 ( 1.830 -10.997 4.413) 11.990 25.686 ( 0.256 -17.770 7.092) 19.135 30.046 ( 4.888 6.862 -9.230) 12.497 30.109 ( 6.412 0.412 -12.098) 13.699 30.555 ( -6.517 11.855 -3.030) 13.864 30.733 ( -7.737 -6.222 -6.028) 11.615 31.711 ( 2.194 10.116 14.222) 17.590 31.809 ( 3.654 4.602 20.066) 20.908 32.080 ( -2.935 0.528 16.889) 17.150 32.309 ( -5.677 -18.316 27.843) 33.807 ======================= Grid point 67 (30/105) ======================= q-point: ( 0.40 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 11.383 41.112 11.356) 44.144 4.798 ( -17.175 30.851 10.170) 36.745 5.243 ( 14.168 27.652 10.598) 32.828 5.328 ( 5.193 -22.157 10.520) 25.071 5.431 ( -7.514 -32.007 7.654) 33.756 5.664 ( -20.194 39.090 12.546) 45.752 6.162 ( 13.712 -44.018 7.621) 46.730 6.455 ( -14.371 -37.601 8.121) 41.065 7.840 ( 8.062 35.996 4.552) 37.167 7.884 ( 3.088 29.909 2.372) 30.162 8.046 ( 10.169 6.539 -0.738) 12.113 8.244 ( -7.691 -6.554 -2.459) 10.399 8.454 ( 18.026 19.541 5.831) 27.217 8.802 ( -8.884 17.764 3.690) 20.202 9.171 ( 17.132 -19.707 -0.626) 26.120 9.224 ( -1.444 9.649 0.490) 9.768 9.305 ( 8.682 -11.098 6.713) 15.608 9.446 ( -9.358 -0.882 -1.911) 9.592 9.679 ( -12.299 -8.430 -5.076) 15.751 9.813 ( -15.158 -22.118 3.369) 27.025 10.305 ( 6.838 6.507 -6.754) 11.607 10.475 ( -7.037 -2.120 -8.857) 11.509 10.517 ( -0.574 -9.425 -7.724) 12.199 10.601 ( -5.766 -8.951 -7.548) 13.051 11.466 ( 9.770 9.790 -7.064) 15.531 11.557 ( 3.066 2.505 -8.028) 8.951 11.660 ( -2.711 -1.986 -8.178) 8.841 11.668 ( -1.811 -0.847 -10.669) 10.855 12.241 ( 1.417 9.738 0.433) 9.850 12.283 ( -2.542 9.872 -0.601) 10.212 12.404 ( 1.130 -5.337 4.101) 6.825 12.441 ( -2.060 -5.536 3.190) 6.713 12.905 ( 4.471 -0.059 -4.776) 6.543 12.969 ( 0.725 -0.602 -0.678) 1.161 12.988 ( 3.813 -6.296 -7.164) 10.272 13.100 ( -4.845 -10.018 -1.497) 11.229 13.587 ( 4.575 8.861 -11.132) 14.945 13.675 ( -2.181 6.939 -11.218) 13.370 13.781 ( 1.476 -7.382 -9.221) 11.903 13.860 ( -4.480 -8.335 -9.295) 13.265 14.781 ( 2.581 4.152 9.600) 10.773 14.805 ( 2.160 1.774 6.797) 7.350 14.853 ( -3.345 4.394 12.746) 13.890 14.882 ( -4.056 0.730 9.562) 10.412 15.243 ( 3.955 9.336 -0.088) 10.139 15.300 ( -1.207 8.802 2.695) 9.284 15.477 ( 3.465 -13.368 7.737) 15.830 15.541 ( -2.531 -14.130 9.715) 17.334 16.261 ( 10.032 2.198 0.378) 10.277 16.339 ( 8.122 -6.073 1.268) 10.220 16.473 ( -9.072 -0.659 1.741) 9.261 16.518 ( -7.943 -5.465 2.949) 10.082 17.046 ( 2.434 3.034 6.991) 8.000 17.088 ( -0.876 1.461 7.472) 7.664 17.109 ( 0.312 -1.463 7.964) 8.103 17.133 ( -1.243 -1.191 8.342) 8.517 18.577 ( 11.117 18.326 0.598) 21.443 18.833 ( -8.661 13.818 -2.393) 16.482 18.959 ( 4.107 -12.928 1.411) 13.638 19.211 ( -15.135 -17.097 -1.865) 22.909 21.438 ( 7.848 9.764 -9.795) 15.902 21.565 ( 1.409 3.286 -12.939) 13.424 21.606 ( -0.445 1.021 -10.975) 11.032 21.707 ( -4.558 -2.998 -13.721) 14.766 22.666 ( 1.313 4.480 -16.489) 17.137 22.689 ( -0.886 3.735 -15.100) 15.581 22.749 ( 0.337 -3.877 -17.614) 18.039 22.757 ( -0.427 -3.138 -15.814) 16.128 23.237 ( 9.632 12.758 5.009) 16.752 23.429 ( -8.206 14.134 4.355) 16.914 23.497 ( 10.676 -12.470 2.449) 16.597 23.715 ( -9.847 -13.248 0.653) 16.519 25.466 ( 0.357 5.512 4.598) 7.187 25.472 ( -0.304 5.736 5.086) 7.672 25.650 ( 2.088 -13.651 5.117) 14.727 25.681 ( -0.872 -16.249 6.099) 17.378 30.188 ( 8.852 8.475 -6.850) 14.039 30.289 ( 10.891 -1.535 -10.570) 15.254 30.384 ( -9.732 10.270 -4.432) 14.827 30.527 ( -11.817 -4.113 -8.313) 15.022 31.780 ( 4.230 12.756 16.658) 21.403 31.851 ( -1.273 13.027 18.052) 22.298 32.057 ( 2.571 -11.630 20.651) 23.840 32.170 ( -7.207 -15.759 24.604) 30.094 ======================= Grid point 90 (31/105) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.000 0.000 54.436) 54.436 2.347 ( 0.000 0.000 59.618) 59.618 4.243 ( 0.000 0.000 104.572) 104.572 4.490 ( 0.000 0.000 25.976) 25.976 5.474 ( 0.000 0.000 -20.163) 20.163 5.553 ( 0.000 0.000 43.335) 43.335 6.732 ( 0.000 0.000 9.589) 9.589 7.166 ( 0.000 0.000 -5.504) 5.504 7.578 ( 0.000 0.000 -8.249) 8.249 7.757 ( 0.000 0.000 -9.389) 9.389 8.024 ( 0.000 0.000 -8.650) 8.650 8.084 ( 0.000 0.000 27.338) 27.338 8.125 ( 0.000 0.000 5.241) 5.241 8.455 ( 0.000 0.000 -5.709) 5.709 8.827 ( 0.000 0.000 -0.274) 0.274 9.019 ( 0.000 0.000 4.349) 4.349 9.297 ( 0.000 0.000 -1.525) 1.525 9.488 ( 0.000 0.000 1.857) 1.857 9.521 ( 0.000 0.000 -0.695) 0.695 9.742 ( 0.000 0.000 -3.585) 3.585 10.111 ( 0.000 0.000 -17.414) 17.414 10.552 ( 0.000 0.000 -20.303) 20.303 10.901 ( 0.000 0.000 -4.918) 4.918 10.986 ( 0.000 0.000 -27.342) 27.342 11.094 ( 0.000 0.000 -5.171) 5.171 11.181 ( 0.000 0.000 -11.562) 11.562 11.590 ( 0.000 0.000 -22.345) 22.345 11.710 ( 0.000 0.000 -2.878) 2.878 11.739 ( 0.000 0.000 -6.068) 6.068 11.857 ( 0.000 0.000 19.194) 19.194 12.209 ( 0.000 0.000 14.626) 14.626 12.395 ( 0.000 0.000 -24.226) 24.226 12.656 ( 0.000 0.000 -30.344) 30.344 12.669 ( 0.000 0.000 -33.053) 33.053 13.443 ( 0.000 0.000 10.054) 10.054 13.617 ( 0.000 0.000 3.188) 3.188 13.644 ( 0.000 0.000 5.705) 5.705 13.823 ( 0.000 0.000 -3.746) 3.746 13.986 ( 0.000 0.000 13.083) 13.083 14.185 ( 0.000 0.000 2.962) 2.962 14.305 ( 0.000 0.000 -6.100) 6.100 14.494 ( 0.000 0.000 3.368) 3.368 14.498 ( 0.000 0.000 -9.945) 9.945 14.804 ( 0.000 0.000 6.477) 6.477 15.073 ( 0.000 0.000 7.001) 7.001 15.894 ( 0.000 0.000 3.846) 3.846 16.047 ( 0.000 0.000 6.372) 6.372 16.228 ( 0.000 0.000 -28.145) 28.145 16.371 ( 0.000 0.000 28.178) 28.178 16.480 ( 0.000 0.000 3.754) 3.754 16.767 ( 0.000 0.000 -2.588) 2.588 16.858 ( 0.000 0.000 8.410) 8.410 16.951 ( 0.000 0.000 17.866) 17.866 17.143 ( 0.000 0.000 7.819) 7.819 17.264 ( 0.000 0.000 9.615) 9.615 18.000 ( 0.000 0.000 -1.565) 1.565 18.402 ( 0.000 0.000 11.949) 11.949 18.532 ( 0.000 0.000 17.001) 17.001 20.008 ( 0.000 0.000 -15.651) 15.651 20.513 ( 0.000 0.000 -3.347) 3.347 20.562 ( 0.000 0.000 -4.960) 4.960 20.643 ( 0.000 0.000 -43.632) 43.632 20.834 ( 0.000 0.000 5.231) 5.231 20.934 ( 0.000 0.000 3.739) 3.739 21.844 ( 0.000 0.000 -25.753) 25.753 22.041 ( 0.000 0.000 -24.370) 24.370 22.450 ( 0.000 0.000 -27.250) 27.250 22.804 ( 0.000 0.000 3.901) 3.901 23.476 ( 0.000 0.000 7.569) 7.569 23.645 ( 0.000 0.000 -1.982) 1.982 23.722 ( 0.000 0.000 -0.448) 0.448 23.967 ( 0.000 0.000 6.338) 6.338 25.682 ( 0.000 0.000 10.162) 10.162 25.780 ( 0.000 0.000 1.738) 1.738 26.763 ( 0.000 0.000 4.518) 4.518 27.370 ( 0.000 0.000 -0.763) 0.763 28.218 ( 0.000 0.000 10.767) 10.767 28.700 ( 0.000 0.000 -13.624) 13.624 29.071 ( 0.000 0.000 -29.181) 29.181 29.538 ( 0.000 0.000 1.196) 1.196 31.783 ( 0.000 0.000 25.699) 25.699 31.896 ( 0.000 0.000 32.910) 32.910 33.104 ( 0.000 0.000 36.515) 36.515 35.887 ( 0.000 0.000 -2.440) 2.440 ======================= Grid point 91 (32/105) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 29.331 0.000 45.429) 54.074 2.565 ( 20.398 0.000 54.017) 57.741 4.270 ( -20.477 0.000 28.443) 35.048 4.470 ( 17.338 0.000 88.090) 89.780 4.827 ( -30.525 0.000 23.328) 38.419 6.027 ( 14.238 0.000 19.600) 24.226 6.800 ( 7.480 0.000 5.461) 9.261 7.275 ( 7.714 0.000 -5.578) 9.519 7.562 ( -1.451 0.000 -8.406) 8.530 7.767 ( -7.499 0.000 -8.355) 11.227 7.778 ( -16.563 0.000 20.321) 26.215 7.966 ( 5.270 0.000 -4.282) 6.791 8.148 ( -2.116 0.000 4.372) 4.857 8.394 ( -9.298 0.000 -1.338) 9.394 8.768 ( 0.073 0.000 -0.828) 0.831 9.162 ( -0.096 0.000 -4.005) 4.006 9.234 ( -16.241 0.000 0.041) 16.241 9.309 ( -1.906 0.000 1.660) 2.528 9.485 ( 10.132 0.000 -3.207) 10.627 10.074 ( 19.429 0.000 1.567) 19.493 10.108 ( -1.961 0.000 -14.450) 14.583 10.631 ( 6.143 0.000 -22.477) 23.301 10.823 ( -6.645 0.000 -1.542) 6.822 10.938 ( -2.871 0.000 -32.306) 32.434 11.123 ( 3.081 0.000 -7.865) 8.447 11.218 ( 2.870 0.000 -14.085) 14.374 11.640 ( 4.417 0.000 -20.901) 21.362 11.694 ( -1.357 0.000 -2.101) 2.501 11.721 ( -1.739 0.000 -3.430) 3.846 12.057 ( 12.737 0.000 8.960) 15.573 12.093 ( -5.653 0.000 2.571) 6.210 12.455 ( 3.533 0.000 -8.270) 8.993 12.658 ( 0.201 0.000 -30.217) 30.218 12.668 ( -0.079 0.000 -32.383) 32.383 13.486 ( 4.055 0.000 9.876) 10.676 13.614 ( -0.105 0.000 4.072) 4.074 13.643 ( -0.223 0.000 5.530) 5.534 13.880 ( 1.127 0.000 4.078) 4.231 13.949 ( -1.554 0.000 5.945) 6.145 14.092 ( -6.623 0.000 4.226) 7.856 14.320 ( 1.476 0.000 -7.096) 7.248 14.478 ( -1.958 0.000 -10.026) 10.216 14.626 ( 11.458 0.000 1.291) 11.530 14.836 ( 3.826 0.000 5.294) 6.532 15.020 ( -4.561 0.000 6.772) 8.165 15.910 ( 1.476 0.000 4.326) 4.570 15.973 ( -20.602 0.000 -17.460) 27.006 16.033 ( -1.299 0.000 6.322) 6.454 16.406 ( 3.353 0.000 26.854) 27.063 16.511 ( 2.907 0.000 2.739) 3.994 16.756 ( -2.042 0.000 -2.591) 3.299 16.770 ( -6.334 0.000 15.006) 16.288 17.012 ( 3.731 0.000 11.890) 12.462 17.140 ( -0.422 0.000 8.086) 8.097 17.402 ( 10.943 0.000 6.639) 12.800 17.968 ( -3.647 0.000 1.063) 3.799 18.421 ( 1.809 0.000 11.440) 11.582 18.523 ( -0.850 0.000 16.130) 16.153 20.013 ( 1.265 0.000 -16.690) 16.738 20.517 ( 0.400 0.000 -3.384) 3.408 20.528 ( -10.344 0.000 -37.365) 38.771 20.557 ( -0.441 0.000 -4.597) 4.618 20.844 ( 0.967 0.000 4.922) 5.016 20.925 ( -0.863 0.000 3.777) 3.875 21.869 ( 2.369 0.000 -24.747) 24.860 22.026 ( -1.438 0.000 -23.851) 23.894 22.445 ( -0.358 0.000 -25.762) 25.765 22.747 ( -8.573 0.000 0.973) 8.628 23.190 ( -11.553 0.000 10.917) 15.895 23.465 ( -5.022 0.000 8.762) 10.100 23.913 ( 4.023 0.000 -4.246) 5.849 24.020 ( 2.445 0.000 0.912) 2.610 25.699 ( 2.374 0.000 9.783) 10.067 25.867 ( 2.482 0.000 4.705) 5.320 27.221 ( 38.894 0.000 -16.348) 42.190 27.423 ( 5.136 0.000 -0.644) 5.177 28.057 ( -12.369 0.000 4.991) 13.338 28.860 ( 12.274 0.000 -7.540) 14.406 28.959 ( -11.137 0.000 -30.167) 32.157 29.486 ( -5.048 0.000 0.757) 5.104 31.796 ( 1.258 0.000 26.267) 26.298 31.891 ( -0.609 0.000 31.807) 31.813 33.216 ( 11.356 0.000 38.517) 40.156 35.275 ( -49.738 0.000 23.066) 54.826 ======================= Grid point 92 (33/105) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 30.615 0.000 43.485) 53.181 3.186 ( 39.051 0.000 32.575) 50.854 3.735 ( -30.575 0.000 34.536) 46.125 3.987 ( -39.261 0.000 23.054) 45.529 5.180 ( 37.333 0.000 77.705) 86.208 5.893 ( -27.044 0.000 51.077) 57.795 7.038 ( 15.380 0.000 0.171) 15.381 7.336 ( -7.573 0.000 -5.776) 9.524 7.514 ( -5.202 0.000 -6.836) 8.590 7.528 ( -3.468 0.000 -6.879) 7.703 7.698 ( 9.613 0.000 -0.496) 9.626 7.987 ( -14.810 0.000 -4.988) 15.627 8.299 ( 22.795 0.000 -0.812) 22.809 8.326 ( 7.053 0.000 2.528) 7.493 8.588 ( -15.759 0.000 -0.458) 15.766 8.794 ( -24.677 0.000 0.131) 24.678 9.220 ( 8.366 0.000 -0.343) 8.373 9.343 ( -1.824 0.000 2.994) 3.505 9.751 ( 13.782 0.000 -7.214) 15.556 9.993 ( -9.332 0.000 -10.551) 14.086 10.405 ( 13.023 0.000 1.873) 13.156 10.619 ( -8.383 0.000 0.866) 8.427 10.800 ( 4.822 0.000 -30.625) 31.003 10.881 ( -3.053 0.000 -33.347) 33.486 11.206 ( 4.253 0.000 -14.310) 14.928 11.256 ( -0.050 0.000 -17.859) 17.859 11.669 ( -0.693 0.000 0.919) 1.151 11.680 ( -1.741 0.000 1.104) 2.061 11.753 ( 6.519 0.000 -15.587) 16.896 11.904 ( -8.500 0.000 -9.303) 12.601 12.362 ( 11.438 0.000 5.168) 12.551 12.489 ( -1.323 0.000 0.338) 1.365 12.662 ( 0.216 0.000 -30.271) 30.272 12.666 ( -0.125 0.000 -31.093) 31.093 13.592 ( 6.372 0.000 12.129) 13.700 13.618 ( 0.554 0.000 5.137) 5.167 13.633 ( -0.741 0.000 5.531) 5.581 13.752 ( -9.089 0.000 13.732) 16.467 13.977 ( 0.976 0.000 -1.275) 1.606 13.999 ( -2.187 0.000 2.614) 3.409 14.364 ( 2.775 0.000 -8.895) 9.318 14.425 ( -3.059 0.000 -9.903) 10.365 14.819 ( 5.533 0.000 6.138) 8.264 14.918 ( -4.921 0.000 7.612) 9.064 15.067 ( 19.726 0.000 -5.368) 20.444 15.517 ( -23.246 0.000 -9.336) 25.051 15.950 ( 2.310 0.000 5.278) 5.761 15.997 ( -2.207 0.000 6.014) 6.407 16.501 ( 5.847 0.000 23.699) 24.409 16.590 ( 4.638 0.000 1.066) 4.759 16.633 ( -6.918 0.000 19.791) 20.965 16.686 ( -4.484 0.000 -0.874) 4.569 17.079 ( 2.763 0.000 9.217) 9.623 17.122 ( -1.486 0.000 8.469) 8.598 17.633 ( 11.233 0.000 6.930) 13.199 17.840 ( -8.800 0.000 5.817) 10.549 18.464 ( 2.134 0.000 11.763) 11.955 18.500 ( -1.419 0.000 13.901) 13.973 20.092 ( 6.988 0.000 -20.861) 22.000 20.289 ( -11.836 0.000 -27.522) 29.960 20.529 ( 0.727 0.000 -3.535) 3.609 20.545 ( -0.753 0.000 -3.944) 4.016 20.870 ( 1.507 0.000 4.345) 4.599 20.901 ( -1.441 0.000 3.944) 4.199 21.928 ( 3.102 0.000 -23.352) 23.557 21.986 ( -2.512 0.000 -23.091) 23.227 22.452 ( 1.666 0.000 -20.616) 20.683 22.540 ( -7.797 0.000 -10.215) 12.851 23.190 ( 6.180 0.000 10.802) 12.445 23.337 ( -7.366 0.000 10.090) 12.492 23.975 ( 2.739 0.000 -2.748) 3.880 24.022 ( -1.593 0.000 -2.091) 2.628 25.768 ( 4.109 0.000 9.402) 10.261 25.848 ( -3.253 0.000 8.263) 8.880 27.573 ( 9.525 0.000 -0.124) 9.526 27.798 ( -12.447 0.000 1.326) 12.517 28.021 ( 35.876 0.000 -31.763) 47.917 28.616 ( -22.993 0.000 -32.407) 39.736 29.117 ( 12.297 0.000 -3.063) 12.673 29.339 ( -9.379 0.000 -0.597) 9.398 31.830 ( 1.952 0.000 27.667) 27.736 31.868 ( -1.609 0.000 29.610) 29.654 33.585 ( 25.756 0.000 42.786) 49.940 34.282 ( -43.352 0.000 42.780) 60.906 ======================= Grid point 95 (34/105) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 21.872 48.734) 53.417 2.756 ( 0.000 36.138 51.122) 62.605 4.546 ( 0.000 31.246 94.867) 99.880 4.768 ( 0.000 26.484 23.819) 35.620 5.409 ( 0.000 -4.888 -15.151) 15.920 5.648 ( 0.000 9.953 41.277) 42.460 6.843 ( 0.000 9.125 7.293) 11.681 7.115 ( 0.000 -7.372 0.711) 7.406 7.591 ( 0.000 -10.379 -5.950) 11.964 7.670 ( 0.000 -5.837 -8.371) 10.205 7.872 ( 0.000 0.417 -7.105) 7.118 8.067 ( 0.000 -5.980 0.141) 5.982 8.222 ( 0.000 12.083 24.911) 27.686 8.558 ( 0.000 5.795 -9.335) 10.988 8.835 ( 0.000 -0.237 -5.332) 5.337 8.882 ( 0.000 -11.758 2.289) 11.979 9.283 ( 0.000 2.010 -5.492) 5.848 9.485 ( 0.000 2.086 0.301) 2.108 9.744 ( 0.000 -0.333 0.553) 0.646 9.772 ( 0.000 18.905 2.978) 19.138 10.127 ( 0.000 1.829 -15.441) 15.549 10.587 ( 0.000 2.947 -19.024) 19.251 10.884 ( 0.000 -5.258 -23.427) 24.010 10.932 ( 0.000 0.153 -3.334) 3.338 11.158 ( 0.000 -3.036 -7.612) 8.195 11.218 ( 0.000 9.580 -13.379) 16.456 11.426 ( 0.000 -13.325 -13.626) 19.058 11.681 ( 0.000 -2.397 -11.081) 11.337 11.769 ( 0.000 5.097 -3.277) 6.059 11.985 ( 0.000 6.719 6.968) 9.680 12.097 ( 0.000 -7.756 6.921) 10.395 12.338 ( 0.000 -5.082 -23.524) 24.067 12.711 ( 0.000 5.190 -22.385) 22.979 12.752 ( 0.000 6.404 -24.638) 25.456 13.391 ( 0.000 -5.076 10.271) 11.457 13.521 ( 0.000 -11.791 0.712) 11.812 13.727 ( 0.000 9.575 5.939) 11.267 13.815 ( 0.000 -3.143 3.963) 5.059 14.030 ( 0.000 7.126 9.677) 12.018 14.060 ( 0.000 -8.613 -6.017) 10.506 14.293 ( 0.000 -3.173 -8.260) 8.849 14.542 ( 0.000 6.054 2.548) 6.569 14.566 ( 0.000 3.086 -5.510) 6.315 14.876 ( 0.000 7.056 6.730) 9.751 15.089 ( 0.000 1.638 8.421) 8.578 15.463 ( 0.000 -26.196 5.041) 26.676 16.044 ( 0.000 -0.441 4.474) 4.496 16.302 ( 0.000 -6.341 22.837) 23.701 16.437 ( 0.000 -3.191 7.003) 7.695 16.534 ( 0.000 14.165 -20.777) 25.147 16.807 ( 0.000 4.500 5.541) 7.139 16.953 ( 0.000 7.962 6.442) 10.241 16.996 ( 0.000 0.830 17.988) 18.007 17.171 ( 0.000 3.081 4.148) 5.167 17.227 ( 0.000 -3.609 10.429) 11.035 17.931 ( 0.000 -10.516 1.566) 10.632 18.301 ( 0.000 -3.348 10.996) 11.494 18.417 ( 0.000 -10.358 15.141) 18.345 19.963 ( 0.000 -4.190 -14.928) 15.504 20.205 ( 0.000 -28.274 -11.965) 30.701 20.635 ( 0.000 6.750 -6.208) 9.170 20.641 ( 0.000 10.504 -9.102) 13.899 21.005 ( 0.000 6.729 1.207) 6.836 21.071 ( 0.000 11.372 -19.083) 22.214 21.882 ( 0.000 3.895 -25.057) 25.358 22.065 ( 0.000 2.531 -23.607) 23.742 22.440 ( 0.000 -1.099 -26.869) 26.892 22.818 ( 0.000 0.991 3.511) 3.649 23.295 ( 0.000 -30.984 11.956) 33.211 23.469 ( 0.000 -0.517 8.365) 8.380 23.621 ( 0.000 -2.386 -1.846) 3.017 23.932 ( 0.000 0.780 -0.495) 0.924 25.653 ( 0.000 -2.461 9.151) 9.476 25.729 ( 0.000 -4.679 1.910) 5.054 26.623 ( 0.000 -13.321 5.254) 14.320 27.625 ( 0.000 -18.129 -1.780) 18.216 28.363 ( 0.000 44.582 -12.099) 46.194 28.860 ( 0.000 15.130 -13.776) 20.462 29.388 ( 0.000 25.373 -26.033) 36.352 29.664 ( 0.000 11.941 -0.081) 11.941 31.806 ( 0.000 2.489 25.962) 26.081 31.888 ( 0.000 -0.606 32.812) 32.818 33.048 ( 0.000 -5.635 35.819) 36.260 35.388 ( 0.000 -43.850 16.345) 46.797 ======================= Grid point 96 (35/105) ======================= q-point: ( 0.20 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 22.288 17.182 44.321) 52.501 2.974 ( 20.261 33.508 46.182) 60.548 4.507 ( -23.605 21.629 26.761) 41.727 4.739 ( 2.482 24.612 60.216) 65.099 4.905 ( -13.301 11.682 39.203) 43.015 6.043 ( 15.338 4.250 23.978) 28.779 6.904 ( 7.028 5.883 1.605) 9.305 7.269 ( 11.226 -1.787 0.822) 11.397 7.534 ( -4.918 -12.813 -3.867) 14.259 7.728 ( 3.807 -4.469 -6.758) 8.952 7.787 ( -6.518 4.138 -3.706) 8.564 7.914 ( -10.980 5.096 11.195) 16.488 8.170 ( -2.264 3.689 6.066) 7.452 8.446 ( -14.093 2.063 -5.080) 15.122 8.716 ( 2.105 -3.930 -2.105) 4.930 9.044 ( -2.023 -11.017 -1.189) 11.264 9.239 ( -1.153 -1.640 -5.212) 5.584 9.327 ( -13.245 6.457 -1.029) 14.771 9.597 ( 5.938 8.241 0.033) 10.158 10.111 ( 1.250 0.903 -11.876) 11.976 10.186 ( 16.319 9.867 -0.646) 19.082 10.659 ( 5.796 2.410 -21.644) 22.536 10.852 ( -6.162 0.451 -4.972) 7.931 10.865 ( -1.693 -4.274 -23.892) 24.330 11.187 ( 2.198 0.965 -11.576) 11.823 11.236 ( 1.999 4.849 -12.937) 13.960 11.456 ( 1.708 -13.748 -11.982) 18.317 11.671 ( -2.640 -3.646 -2.993) 5.405 11.766 ( 1.608 3.013 -9.876) 10.450 12.020 ( -5.099 -4.417 0.325) 6.754 12.114 ( 10.143 4.132 3.097) 11.382 12.389 ( 3.437 -5.000 -14.664) 15.870 12.724 ( 1.157 5.608 -21.468) 22.219 12.756 ( 0.284 6.735 -23.811) 24.747 13.410 ( 2.751 -7.181 7.609) 10.818 13.560 ( 1.988 -8.996 3.464) 9.843 13.705 ( -1.855 5.306 5.912) 8.158 13.836 ( 0.024 -1.237 7.506) 7.607 13.984 ( -3.607 -1.174 2.532) 4.561 14.036 ( -1.529 1.983 2.643) 3.641 14.333 ( 3.245 -4.508 -13.778) 14.855 14.457 ( -3.903 3.384 -5.268) 7.378 14.669 ( 6.371 2.093 2.274) 7.081 14.919 ( 4.875 7.759 5.222) 10.547 15.025 ( -5.213 0.193 8.633) 10.087 15.471 ( -0.630 -20.747 2.283) 20.882 16.042 ( -0.193 0.635 4.475) 4.524 16.320 ( 0.191 -4.310 18.873) 19.360 16.348 ( -10.654 11.655 -5.843) 16.837 16.460 ( -0.037 -3.668 2.926) 4.692 16.786 ( -2.038 5.008 9.188) 10.660 16.889 ( -4.002 6.782 8.971) 11.936 17.047 ( 3.276 2.317 11.227) 11.922 17.166 ( -0.485 2.850 5.298) 6.035 17.371 ( 11.005 -3.391 8.376) 14.239 17.912 ( -2.556 -8.594 3.037) 9.467 18.300 ( 0.215 -6.243 12.292) 13.788 18.402 ( -1.433 -10.774 14.669) 18.257 19.926 ( -2.206 -8.508 -12.787) 15.517 20.155 ( -4.955 -23.827 -13.835) 27.994 20.631 ( 0.556 7.398 -5.827) 9.434 20.663 ( 0.966 10.481 -9.368) 14.091 21.003 ( -0.139 7.268 -0.197) 7.272 21.053 ( -1.570 11.566 -15.856) 19.688 21.910 ( 2.574 4.071 -24.608) 25.075 22.056 ( -0.949 3.065 -23.148) 23.369 22.436 ( -0.136 -0.873 -25.237) 25.252 22.738 ( -9.800 -1.607 -0.131) 9.932 23.094 ( -3.590 -8.135 11.407) 14.463 23.435 ( -4.390 -2.054 9.049) 10.265 23.840 ( 10.180 -9.501 -2.867) 14.217 23.945 ( 1.172 -0.068 -0.848) 1.449 25.646 ( 1.043 -4.145 8.391) 9.417 25.782 ( 1.761 -6.669 4.826) 8.419 26.798 ( 15.359 -21.088 1.312) 26.122 27.588 ( -4.683 -24.926 -0.060) 25.362 28.415 ( 6.960 49.059 -19.833) 53.372 28.951 ( 6.716 14.046 -13.849) 20.837 29.321 ( -5.664 25.808 -23.459) 35.334 29.613 ( -4.940 11.966 -0.458) 12.954 31.816 ( 0.948 2.152 26.545) 26.649 31.885 ( -0.358 -0.326 31.680) 31.684 33.152 ( 10.542 -6.384 37.638) 39.604 34.924 ( -38.954 -31.988 30.477) 58.902 ======================= Grid point 97 (36/105) ======================= q-point: ( 0.40 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 33.555 11.786 35.949) 50.569 3.505 ( 30.579 26.936 36.451) 54.674 3.892 ( -34.680 13.073 29.266) 47.224 4.159 ( -33.223 18.559 25.311) 45.704 5.409 ( 33.805 23.630 70.475) 81.657 6.010 ( -19.920 13.206 46.634) 52.402 7.111 ( 12.312 0.244 -1.472) 12.402 7.350 ( -8.352 -5.577 -2.887) 10.450 7.494 ( 5.057 0.976 -1.411) 5.340 7.629 ( -7.347 9.707 -5.712) 13.447 7.738 ( 3.931 6.209 -0.057) 7.349 7.881 ( -1.886 -5.499 -2.208) 6.218 8.212 ( 2.207 -5.341 -1.493) 5.969 8.228 ( 0.142 -5.107 -5.435) 7.459 8.651 ( -4.734 1.412 3.074) 5.819 8.817 ( -16.715 -2.809 3.668) 17.342 9.195 ( 4.975 -0.326 -3.680) 6.196 9.288 ( -1.392 -2.270 -2.450) 3.619 9.800 ( 11.604 4.340 -5.435) 13.529 10.013 ( -8.590 2.089 -9.837) 13.225 10.498 ( 12.196 7.814 -0.862) 14.510 10.693 ( -7.391 6.095 -1.172) 9.652 10.780 ( 3.556 -2.061 -28.718) 29.011 10.835 ( -1.718 -4.263 -29.146) 29.506 11.239 ( 2.766 2.677 -14.709) 15.204 11.271 ( 0.307 1.517 -17.002) 17.072 11.493 ( 2.864 -12.867 -3.779) 13.713 11.582 ( -5.252 -7.897 -0.457) 9.495 11.827 ( 3.803 2.523 -8.986) 10.079 11.914 ( -4.850 0.809 -5.583) 7.439 12.327 ( 8.767 -1.268 -2.692) 9.258 12.425 ( -0.873 -3.697 -8.270) 9.101 12.750 ( 1.105 6.333 -19.587) 20.615 12.760 ( 0.017 6.886 -21.272) 22.359 13.503 ( 5.585 -7.569 6.682) 11.538 13.572 ( -0.822 -7.165 4.730) 8.625 13.669 ( -0.692 0.348 6.695) 6.740 13.740 ( -7.226 -1.305 11.706) 13.818 13.966 ( 1.208 1.362 0.113) 1.824 14.001 ( -1.896 3.778 3.116) 5.251 14.387 ( 1.629 -2.589 -13.180) 13.530 14.408 ( -1.101 0.607 -8.921) 9.009 14.799 ( 5.881 -1.503 5.290) 8.052 14.912 ( -5.549 -0.933 6.921) 8.920 15.108 ( 13.408 4.345 -0.047) 14.094 15.372 ( -10.056 -8.648 -2.229) 13.449 16.046 ( 1.038 4.311 3.887) 5.897 16.119 ( -7.386 11.790 -0.126) 13.913 16.385 ( 3.585 -8.412 15.904) 18.345 16.448 ( -1.982 -8.392 9.361) 12.727 16.762 ( 0.568 7.662 10.899) 13.335 16.810 ( -3.598 7.674 8.628) 12.094 17.108 ( 2.564 2.360 8.426) 9.119 17.148 ( -1.397 2.541 6.691) 7.292 17.601 ( 11.174 -3.637 8.909) 14.746 17.803 ( -8.201 -5.054 7.334) 12.107 18.321 ( 1.868 -10.714 12.973) 16.929 18.364 ( -2.158 -11.561 13.578) 17.963 19.927 ( 2.761 -13.833 -12.736) 19.004 20.028 ( -6.551 -18.294 -14.136) 24.029 20.652 ( 1.205 8.797 -6.709) 11.129 20.670 ( -0.382 10.463 -8.519) 13.498 21.005 ( 0.412 8.883 -4.188) 9.830 21.022 ( -1.268 10.762 -9.759) 14.583 21.971 ( 3.093 4.221 -23.618) 24.190 22.025 ( -2.125 3.920 -22.821) 23.253 22.450 ( 2.030 -0.201 -19.891) 19.995 22.539 ( -7.322 -0.198 -10.352) 12.681 23.160 ( 6.914 -2.444 10.594) 12.885 23.312 ( -7.319 -2.005 9.997) 12.550 23.956 ( 2.313 -3.974 -3.310) 5.666 23.968 ( 0.675 -2.402 -1.797) 3.075 25.697 ( 3.468 -6.062 8.273) 10.827 25.766 ( -2.782 -6.979 7.378) 10.529 27.134 ( 16.026 -27.819 -0.253) 32.106 27.418 ( -11.716 -28.394 0.793) 30.726 28.659 ( 15.474 41.301 -28.608) 52.571 28.948 ( -10.224 26.395 -27.953) 39.782 29.300 ( 6.508 16.888 -6.462) 19.218 29.473 ( -8.550 12.512 -1.736) 15.254 31.842 ( 1.488 1.336 27.841) 27.912 31.870 ( -1.178 0.401 29.577) 29.603 33.491 ( 23.351 -9.315 41.557) 48.570 34.107 ( -37.297 -16.786 42.390) 58.905 ======================= Grid point 100 (37/105) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.000 36.545 37.827) 52.597 3.541 ( 0.000 41.488 43.152) 59.861 5.342 ( 0.000 -1.074 -6.401) 6.491 5.392 ( 0.000 33.371 21.126) 39.496 5.436 ( 0.000 57.465 70.998) 91.340 5.940 ( 0.000 18.324 31.666) 36.586 6.891 ( 0.000 -10.917 12.438) 16.549 7.025 ( 0.000 3.510 7.036) 7.863 7.127 ( 0.000 -25.079 0.421) 25.082 7.449 ( 0.000 -20.759 -3.402) 21.036 7.976 ( 0.000 -1.203 -9.900) 9.973 8.040 ( 0.000 6.774 -7.828) 10.353 8.545 ( 0.000 15.350 11.088) 18.936 8.620 ( 0.000 -14.441 0.312) 14.445 8.655 ( 0.000 8.503 -1.518) 8.638 8.831 ( 0.000 4.234 -7.451) 8.570 9.374 ( 0.000 6.500 -9.151) 11.225 9.621 ( 0.000 10.469 -6.435) 12.289 9.718 ( 0.000 -1.657 7.386) 7.570 10.053 ( 0.000 4.981 -7.547) 9.042 10.263 ( 0.000 15.128 -2.603) 15.350 10.569 ( 0.000 -9.722 -5.957) 11.402 10.774 ( 0.000 -4.762 -13.816) 14.614 10.906 ( 0.000 -4.037 -14.440) 14.993 11.023 ( 0.000 -10.372 -12.266) 16.063 11.231 ( 0.000 -3.700 -10.933) 11.542 11.429 ( 0.000 11.333 -15.809) 19.451 11.602 ( 0.000 -6.138 -13.716) 15.026 11.866 ( 0.000 4.266 0.089) 4.267 12.016 ( 0.000 0.506 -4.039) 4.071 12.085 ( 0.000 3.889 -4.497) 5.945 12.239 ( 0.000 -3.692 -19.035) 19.390 12.838 ( 0.000 7.177 -7.854) 10.640 12.872 ( 0.000 4.920 -18.176) 18.830 13.220 ( 0.000 -17.712 -4.314) 18.230 13.267 ( 0.000 -6.363 10.853) 12.581 13.718 ( 0.000 -6.017 4.823) 7.712 13.805 ( 0.000 -7.560 -8.108) 11.086 14.006 ( 0.000 5.380 2.080) 5.768 14.055 ( 0.000 -9.816 3.505) 10.423 14.375 ( 0.000 16.399 -6.915) 17.798 14.580 ( 0.000 -0.562 -3.288) 3.336 14.706 ( 0.000 9.760 3.577) 10.395 14.979 ( 0.000 -2.930 8.971) 9.438 15.127 ( 0.000 -0.281 10.274) 10.277 15.134 ( 0.000 2.928 11.321) 11.694 16.014 ( 0.000 -3.545 1.015) 3.687 16.155 ( 0.000 -7.824 17.034) 18.745 16.334 ( 0.000 -7.191 8.674) 11.267 16.735 ( 0.000 6.589 -12.062) 13.744 16.874 ( 0.000 -13.436 15.025) 20.156 16.918 ( 0.000 5.652 10.002) 11.488 17.117 ( 0.000 1.671 11.840) 11.957 17.139 ( 0.000 1.449 9.070) 9.185 17.229 ( 0.000 2.067 4.673) 5.110 17.586 ( 0.000 -19.303 14.065) 23.884 18.215 ( 0.000 -7.785 9.952) 12.635 18.422 ( 0.000 12.521 -2.994) 12.874 19.696 ( 0.000 -22.293 -0.086) 22.293 19.858 ( 0.000 -6.411 -13.775) 15.194 20.786 ( 0.000 7.770 -8.383) 11.430 20.845 ( 0.000 8.846 -18.840) 20.813 21.164 ( 0.000 8.642 -6.123) 10.591 21.249 ( 0.000 7.426 -20.980) 22.255 21.992 ( 0.000 7.094 -23.111) 24.175 22.144 ( 0.000 5.533 -21.843) 22.533 22.409 ( 0.000 -1.960 -25.413) 25.488 22.738 ( 0.000 -12.064 -1.656) 12.178 22.949 ( 0.000 -1.177 9.345) 9.419 23.468 ( 0.000 0.427 9.146) 9.156 23.556 ( 0.000 -3.821 -0.439) 3.846 23.968 ( 0.000 2.178 -2.850) 3.587 25.595 ( 0.000 -3.243 7.298) 7.987 25.628 ( 0.000 -4.921 2.515) 5.527 26.300 ( 0.000 -18.260 6.635) 19.428 27.024 ( 0.000 -34.965 5.789) 35.441 29.208 ( 0.000 32.052 -19.535) 37.536 29.220 ( 0.000 19.798 -13.830) 24.150 29.937 ( 0.000 28.808 -30.580) 42.013 29.952 ( 0.000 16.202 -3.084) 16.493 31.887 ( 0.000 1.088 32.500) 32.518 31.893 ( 0.000 6.795 26.850) 27.697 32.893 ( 0.000 -10.028 33.807) 35.263 34.460 ( 0.000 -46.812 33.554) 57.595 ======================= Grid point 101 (38/105) ======================= q-point: ( 0.20 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 15.406 32.715 35.848) 50.919 3.703 ( 15.360 39.123 40.837) 58.602 4.872 ( -32.394 11.898 11.931) 36.514 5.174 ( -21.444 27.529 20.923) 40.688 5.630 ( 18.157 53.526 65.755) 86.709 6.251 ( 18.522 13.852 20.870) 31.152 6.848 ( -1.064 -7.947 11.247) 13.812 7.049 ( -4.363 -31.379 3.516) 31.876 7.305 ( 18.316 6.138 3.179) 19.577 7.522 ( 7.446 -18.576 -2.119) 20.124 7.900 ( -5.559 -0.157 -9.339) 10.870 8.061 ( -0.335 7.766 -6.149) 9.911 8.425 ( -11.780 10.982 7.202) 17.642 8.459 ( -11.088 8.279 2.802) 14.119 8.668 ( 0.872 2.435 -2.799) 3.811 8.852 ( -3.186 -3.635 -1.363) 5.022 9.237 ( -7.488 0.547 -3.876) 8.450 9.492 ( -9.511 9.750 -7.251) 15.430 9.745 ( 5.509 6.383 -0.455) 8.444 10.125 ( 1.785 0.258 -10.963) 11.111 10.393 ( 9.160 8.173 -6.081) 13.700 10.650 ( 5.763 -8.447 -9.684) 14.083 10.766 ( -0.117 -1.562 -14.356) 14.441 10.845 ( -4.559 -3.481 -11.412) 12.772 11.059 ( 3.847 -13.064 -9.717) 16.730 11.264 ( 2.437 -1.523 -11.610) 11.960 11.391 ( -2.661 7.723 -15.128) 17.193 11.587 ( -3.598 -3.955 -7.955) 9.585 11.830 ( -0.685 3.808 -6.107) 7.229 11.983 ( -1.652 1.027 -0.388) 1.984 12.184 ( 6.766 3.043 -6.688) 9.988 12.300 ( 4.870 -3.508 -17.722) 18.711 12.853 ( 1.338 7.249 -7.987) 10.869 12.881 ( 0.631 5.318 -16.599) 17.442 13.211 ( 1.738 -13.519 0.640) 13.645 13.337 ( 3.632 -10.885 5.304) 12.642 13.664 ( -3.924 -6.336 1.777) 7.662 13.867 ( -5.107 -6.804 -6.331) 10.605 13.888 ( 1.438 -4.547 9.207) 10.369 14.091 ( 0.832 -1.419 -2.281) 2.812 14.373 ( -0.060 14.664 -7.429) 16.439 14.516 ( -4.967 1.733 -3.395) 6.261 14.732 ( 2.616 5.757 5.560) 8.420 14.980 ( -1.811 -2.113 7.121) 7.645 15.098 ( 2.611 7.556 10.645) 13.312 15.240 ( 5.108 -2.243 7.479) 9.331 16.039 ( 2.537 -2.102 0.670) 3.362 16.167 ( 1.324 -7.936 16.288) 18.166 16.316 ( -1.841 -8.055 8.416) 11.794 16.576 ( -12.333 6.305 -6.419) 15.267 16.850 ( -0.434 -4.436 13.418) 14.139 16.932 ( -0.425 0.777 9.411) 9.452 17.136 ( 1.103 7.235 7.828) 10.716 17.217 ( 0.628 -0.737 3.504) 3.635 17.274 ( 8.871 -3.886 13.380) 16.517 17.591 ( 0.211 -19.190 14.338) 23.956 18.204 ( -0.871 -6.601 9.700) 11.765 18.373 ( -4.691 11.492 0.702) 12.433 19.626 ( -3.996 -19.745 -1.526) 20.203 19.830 ( -3.910 -10.428 -12.489) 16.734 20.789 ( 1.426 8.225 -8.025) 11.579 20.885 ( 2.117 10.652 -17.444) 20.548 21.159 ( -0.161 7.762 -8.748) 11.697 21.235 ( -1.242 7.539 -20.966) 22.315 22.019 ( 2.428 6.705 -23.665) 24.716 22.145 ( -0.152 5.826 -22.021) 22.779 22.413 ( 0.606 -1.414 -23.386) 23.437 22.650 ( -6.712 -6.920 -5.079) 10.897 22.998 ( 4.761 -0.275 9.511) 10.639 23.420 ( -4.672 1.053 9.684) 10.803 23.677 ( 9.363 -7.165 -1.100) 11.841 23.965 ( -0.486 1.124 -2.822) 3.076 25.569 ( -0.719 -3.471 6.112) 7.066 25.652 ( 0.299 -6.067 5.008) 7.873 26.389 ( 8.378 -20.854 5.652) 23.173 26.973 ( -5.045 -33.886 5.692) 34.729 29.233 ( 4.416 29.371 -21.678) 36.771 29.321 ( 7.403 21.908 -12.945) 26.501 29.861 ( -6.987 27.661 -27.816) 39.846 29.900 ( -4.993 16.383 -4.122) 17.616 31.886 ( 0.133 3.408 30.518) 30.708 31.901 ( 0.388 4.467 28.119) 28.474 32.977 ( 8.485 -11.239 35.222) 37.933 34.204 ( -22.564 -38.356 37.106) 57.942 ======================= Grid point 102 (39/105) ======================= q-point: ( 0.40 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 27.766 24.607 30.112) 47.783 4.107 ( 15.705 30.689 34.599) 48.843 4.199 ( -24.915 21.073 22.464) 39.616 4.660 ( -27.352 30.072 27.947) 49.331 6.084 ( 23.680 43.211 51.311) 71.139 6.423 ( -5.351 25.470 31.280) 40.692 6.862 ( 3.411 -19.878 8.765) 21.991 6.960 ( -4.478 -27.797 6.848) 28.977 7.593 ( 10.208 -2.290 -3.684) 11.092 7.757 ( -0.717 -3.222 -10.868) 11.358 7.826 ( 10.622 -1.211 2.299) 10.935 7.980 ( -4.978 13.971 -0.635) 14.845 8.192 ( -8.385 4.836 -4.092) 10.509 8.259 ( -8.958 13.358 4.238) 16.632 8.626 ( -1.566 -0.181 3.173) 3.543 8.717 ( -7.865 -1.539 3.260) 8.652 9.217 ( 4.659 2.009 -4.971) 7.103 9.339 ( -6.181 6.152 -9.289) 12.741 9.901 ( 8.885 5.444 -5.873) 11.961 10.070 ( -6.691 3.346 -9.518) 12.106 10.551 ( 6.564 -6.035 -14.860) 17.329 10.665 ( -4.255 -10.627 -18.008) 21.338 10.776 ( 1.145 -1.218 -11.857) 11.974 10.802 ( -0.530 1.056 -11.453) 11.514 11.206 ( 10.184 -9.091 -2.077) 13.809 11.306 ( 1.408 2.400 -13.318) 13.606 11.348 ( -1.433 3.797 -13.712) 14.300 11.437 ( -9.919 -5.137 -1.864) 11.325 11.871 ( 3.547 3.061 -6.886) 8.329 11.939 ( -2.855 2.359 -2.884) 4.694 12.321 ( 5.715 0.021 -9.581) 11.156 12.372 ( 1.021 -1.871 -13.948) 14.110 12.879 ( 0.936 6.805 -9.000) 11.322 12.888 ( -0.017 5.829 -12.480) 13.774 13.297 ( 5.832 -12.838 1.128) 14.145 13.373 ( -0.533 -11.326 3.222) 11.788 13.596 ( -1.457 -6.582 2.507) 7.192 13.670 ( -8.645 -6.463 5.638) 12.178 14.006 ( 5.324 -4.873 -1.294) 7.332 14.080 ( -1.984 -1.186 -2.191) 3.185 14.381 ( 1.136 9.660 -7.460) 12.257 14.426 ( -3.426 4.296 -5.393) 7.699 14.806 ( 4.515 3.054 6.510) 8.490 14.904 ( -4.798 1.508 6.871) 8.515 15.207 ( 6.349 4.755 6.366) 10.171 15.291 ( -0.868 -0.063 4.753) 4.832 16.122 ( 5.917 1.031 -0.208) 6.010 16.212 ( 3.095 -7.337 13.570) 15.734 16.254 ( -4.568 -7.008 5.944) 10.262 16.332 ( -9.956 4.039 1.060) 10.797 16.862 ( 1.515 -0.006 12.546) 12.638 16.903 ( -2.160 1.134 10.698) 10.972 17.168 ( 1.930 4.216 5.870) 7.480 17.204 ( -1.351 2.355 4.447) 5.210 17.461 ( 8.079 -10.355 14.933) 19.887 17.572 ( -2.762 -16.572 15.062) 22.564 18.198 ( 0.945 -1.915 8.957) 9.208 18.261 ( -5.162 6.241 6.611) 10.455 19.609 ( 2.604 -17.418 -5.374) 18.413 19.712 ( -6.642 -14.339 -9.509) 18.443 20.841 ( 3.202 10.139 -8.588) 13.668 20.894 ( -1.423 11.723 -12.415) 17.134 21.170 ( 1.252 6.914 -15.710) 17.210 21.203 ( -1.804 7.382 -20.042) 21.435 22.076 ( 2.924 6.026 -24.069) 24.984 22.126 ( -1.806 5.879 -23.164) 23.967 22.445 ( 2.750 -0.336 -18.070) 18.282 22.525 ( -5.159 -1.487 -11.656) 12.833 23.130 ( 7.773 0.213 9.932) 12.614 23.291 ( -7.658 0.733 9.972) 12.595 23.847 ( 6.571 -5.910 -1.968) 9.054 23.937 ( -2.569 -1.885 -2.591) 4.107 25.581 ( 1.812 -4.972 6.452) 8.345 25.628 ( -2.282 -6.310 6.281) 9.191 26.603 ( 11.681 -26.224 4.936) 29.129 26.824 ( -9.510 -30.840 5.310) 32.707 29.376 ( 8.730 29.796 -25.576) 40.226 29.467 ( 4.111 23.851 -17.095) 29.631 29.704 ( -5.420 22.945 -18.286) 29.837 29.766 ( -7.509 16.137 -4.821) 18.440 31.893 ( 0.525 3.838 29.320) 29.575 31.902 ( -0.260 4.005 28.298) 28.582 33.242 ( 17.831 -15.482 38.304) 44.998 33.689 ( -25.529 -24.472 40.079) 53.450 ======================= Grid point 105 (40/105) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 0.000 43.943 28.250) 52.241 4.355 ( 0.000 42.062 34.881) 54.643 5.382 ( 0.000 5.256 2.092) 5.657 5.984 ( 0.000 27.868 21.423) 35.150 6.083 ( 0.000 -8.423 13.135) 15.604 6.374 ( 0.000 -35.805 12.208) 37.829 6.666 ( 0.000 57.282 44.482) 72.525 6.750 ( 0.000 -25.328 11.152) 27.674 7.185 ( 0.000 20.501 15.050) 25.432 7.283 ( 0.000 13.357 1.593) 13.452 7.739 ( 0.000 -16.844 1.121) 16.881 8.206 ( 0.000 1.219 -8.605) 8.691 8.368 ( 0.000 -4.808 -1.704) 5.101 8.644 ( 0.000 0.051 -5.534) 5.535 8.849 ( 0.000 -0.182 3.824) 3.828 9.115 ( 0.000 22.281 -7.432) 23.487 9.519 ( 0.000 8.157 -12.142) 14.627 9.755 ( 0.000 7.194 12.847) 14.724 9.844 ( 0.000 12.315 -11.013) 16.522 10.049 ( 0.000 -10.994 -4.898) 12.036 10.131 ( 0.000 -26.148 6.011) 26.830 10.541 ( 0.000 8.693 -3.575) 9.399 10.701 ( 0.000 -4.363 -8.119) 9.217 10.776 ( 0.000 -14.001 -15.909) 21.192 10.808 ( 0.000 -2.634 -21.898) 22.056 11.273 ( 0.000 3.145 -8.419) 8.987 11.460 ( 0.000 -5.941 -12.370) 13.722 11.612 ( 0.000 5.914 -15.241) 16.348 11.964 ( 0.000 6.783 0.202) 6.786 12.103 ( 0.000 7.825 -8.215) 11.345 12.147 ( 0.000 3.718 -12.190) 12.745 12.246 ( 0.000 4.338 -14.090) 14.742 12.817 ( 0.000 -15.801 -7.378) 17.439 12.875 ( 0.000 -6.083 -12.084) 13.529 13.033 ( 0.000 5.429 -0.477) 5.450 13.222 ( 0.000 3.119 4.965) 5.864 13.558 ( 0.000 -15.962 -18.109) 24.139 13.590 ( 0.000 -6.825 4.539) 8.196 13.814 ( 0.000 -12.526 -6.563) 14.142 13.974 ( 0.000 -9.410 8.109) 12.421 14.688 ( 0.000 12.641 0.186) 12.642 14.740 ( 0.000 17.007 -1.417) 17.066 14.924 ( 0.000 13.813 6.769) 15.382 14.958 ( 0.000 3.790 11.563) 12.169 15.199 ( 0.000 3.808 14.031) 14.538 15.239 ( 0.000 5.951 11.258) 12.733 15.853 ( 0.000 -12.809 6.748) 14.478 16.052 ( 0.000 -2.347 5.818) 6.273 16.137 ( 0.000 -13.669 10.014) 16.945 16.511 ( 0.000 -20.013 9.474) 22.142 16.800 ( 0.000 -1.048 -5.208) 5.313 16.925 ( 0.000 -7.215 9.572) 11.987 17.071 ( 0.000 3.301 13.173) 13.580 17.249 ( 0.000 -0.043 7.801) 7.801 17.287 ( 0.000 6.018 10.764) 12.332 17.332 ( 0.000 -5.479 14.476) 15.478 18.186 ( 0.000 5.243 4.402) 6.846 18.655 ( 0.000 8.111 -7.896) 11.320 19.363 ( 0.000 -10.641 3.368) 11.162 19.714 ( 0.000 -8.438 -12.181) 14.818 20.915 ( 0.000 5.107 -10.856) 11.997 20.964 ( 0.000 3.537 -21.730) 22.016 21.317 ( 0.000 6.582 -15.110) 16.482 21.370 ( 0.000 4.890 -21.605) 22.151 22.140 ( 0.000 7.394 -20.670) 21.952 22.270 ( 0.000 6.432 -22.680) 23.574 22.370 ( 0.000 -1.624 -20.781) 20.844 22.545 ( 0.000 -6.634 -10.454) 12.381 23.005 ( 0.000 4.666 7.422) 8.767 23.412 ( 0.000 -6.560 1.372) 6.701 23.564 ( 0.000 5.526 8.927) 10.499 23.989 ( 0.000 -0.830 -3.514) 3.611 25.543 ( 0.000 -1.577 5.771) 5.983 25.564 ( 0.000 -0.992 4.263) 4.377 25.956 ( 0.000 -16.107 7.335) 17.698 26.368 ( 0.000 -30.741 10.483) 32.480 29.570 ( 0.000 14.965 -13.150) 19.922 29.633 ( 0.000 13.880 -14.251) 19.894 30.255 ( 0.000 14.022 -6.985) 15.666 30.396 ( 0.000 16.138 -28.072) 32.381 31.955 ( 0.000 6.291 31.329) 31.954 32.086 ( 0.000 13.219 28.791) 31.681 32.671 ( 0.000 -12.098 30.552) 32.860 33.629 ( 0.000 -38.033 35.359) 51.930 ======================= Grid point 106 (41/105) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 9.129 40.844 27.666) 50.169 4.480 ( 11.880 40.463 33.445) 53.824 5.098 ( -22.908 13.068 10.176) 28.268 5.739 ( -20.230 28.951 21.845) 41.528 6.181 ( 5.008 -19.051 8.754) 21.556 6.344 ( -2.822 -36.848 11.167) 38.606 6.761 ( 9.475 50.605 40.007) 65.201 6.820 ( 5.898 -19.891 11.426) 23.685 7.276 ( 8.439 19.452 13.486) 25.129 7.502 ( 16.734 11.756 1.276) 20.491 7.674 ( -4.272 -13.844 5.761) 15.592 8.229 ( 1.487 1.986 -7.497) 7.897 8.324 ( -3.881 -1.472 -4.478) 6.106 8.681 ( 1.805 1.752 -4.185) 4.882 8.891 ( 4.258 6.907 2.624) 8.528 9.020 ( -10.453 20.043 -2.185) 22.710 9.328 ( -13.515 13.504 2.193) 19.231 9.667 ( -8.951 6.874 -11.583) 16.172 9.843 ( 4.296 4.081 -3.332) 6.798 10.107 ( 2.925 -4.150 -8.576) 9.966 10.202 ( 5.651 -29.577 7.404) 31.009 10.492 ( -4.848 -0.316 -11.611) 12.586 10.677 ( -4.443 -10.196 -15.099) 18.753 10.732 ( -3.672 -13.224 -14.256) 19.789 10.918 ( 11.275 4.557 -8.234) 14.686 11.319 ( 3.699 3.378 -8.844) 10.164 11.448 ( -0.917 -1.824 -11.652) 11.829 11.566 ( -5.101 2.420 -12.533) 13.746 11.949 ( 0.043 9.014 -5.928) 10.789 12.074 ( -1.492 8.242 -1.488) 8.507 12.241 ( 5.625 2.513 -13.205) 14.571 12.278 ( 3.405 2.171 -15.413) 15.933 12.869 ( 4.012 -13.232 -7.755) 15.853 12.906 ( 3.734 -6.081 -8.466) 11.072 13.025 ( -0.854 4.644 -1.807) 5.056 13.234 ( 0.641 1.224 3.724) 3.972 13.485 ( -4.623 -12.784 -8.122) 15.836 13.659 ( 2.273 -11.970 0.718) 12.205 13.711 ( -5.823 -8.807 -8.837) 13.768 13.977 ( -1.158 -11.310 1.556) 11.476 14.672 ( -0.970 14.576 0.779) 14.629 14.728 ( -1.090 17.229 0.407) 17.268 14.895 ( -0.532 11.420 9.395) 14.797 15.014 ( 2.072 5.818 8.871) 10.809 15.198 ( 1.104 2.840 13.877) 14.208 15.285 ( 3.364 4.444 9.138) 10.704 15.880 ( 2.467 -13.294 7.755) 15.587 16.090 ( 3.856 -0.634 3.988) 5.583 16.108 ( -2.848 -13.866 9.665) 17.140 16.521 ( -0.604 -14.114 6.978) 15.757 16.705 ( -5.276 -3.213 -1.053) 6.267 16.909 ( -2.564 -7.165 9.044) 11.820 17.127 ( 3.971 -0.566 11.605) 12.279 17.262 ( 0.622 1.283 9.531) 9.637 17.288 ( 0.693 3.373 10.681) 11.222 17.342 ( 0.891 -4.498 14.274) 14.992 18.210 ( 2.654 7.117 4.330) 8.743 18.627 ( -3.599 11.830 -5.707) 13.618 19.287 ( -4.770 -13.701 2.662) 14.749 19.631 ( -7.827 -10.673 -10.677) 17.005 20.934 ( 3.243 6.485 -11.601) 13.681 21.043 ( 5.169 5.020 -21.760) 22.922 21.292 ( -2.174 5.844 -15.128) 16.363 21.355 ( -1.554 4.584 -22.548) 23.062 22.157 ( 1.492 6.940 -21.430) 22.575 22.262 ( -0.892 5.299 -23.788) 24.387 22.386 ( 1.655 -1.104 -18.985) 19.089 22.524 ( -1.838 -5.169 -12.065) 13.253 23.051 ( 4.705 4.968 7.947) 10.487 23.474 ( 0.226 1.738 6.749) 6.973 23.552 ( 3.563 -3.144 3.596) 5.959 23.963 ( -2.630 -1.980 -2.976) 4.438 25.526 ( -0.791 -0.497 5.319) 5.401 25.567 ( -0.429 -1.903 5.544) 5.877 26.006 ( 4.763 -17.680 7.127) 19.649 26.342 ( -2.645 -29.446 9.979) 31.203 29.637 ( 6.396 15.184 -13.665) 21.406 29.693 ( 5.705 13.930 -14.293) 20.758 30.196 ( -5.622 13.641 -6.881) 16.280 30.313 ( -7.860 16.080 -26.517) 31.993 31.970 ( 1.416 6.947 30.702) 31.510 32.079 ( -0.845 12.724 28.242) 30.987 32.729 ( 5.840 -13.659 31.776) 35.076 33.495 ( -12.209 -33.667 35.893) 50.704 ======================= Grid point 107 (42/105) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 18.926 32.877 24.942) 45.401 4.566 ( -23.132 23.277 20.300) 38.588 4.838 ( 18.062 37.242 28.453) 50.227 5.281 ( -23.517 33.158 25.091) 47.771 6.234 ( 1.607 -29.369 8.999) 30.759 6.281 ( -3.061 -34.232 10.610) 35.969 6.950 ( 5.700 -10.034 12.092) 16.715 6.962 ( 6.366 24.421 25.706) 36.024 7.455 ( 7.011 12.750 11.172) 18.345 7.545 ( -3.594 -0.062 10.600) 11.193 7.905 ( 16.891 7.332 1.798) 18.501 8.170 ( -9.378 6.089 -5.246) 12.351 8.315 ( 7.194 6.139 -1.303) 9.546 8.611 ( -17.686 11.533 5.101) 21.722 8.782 ( 2.466 20.988 2.841) 21.322 8.913 ( -6.217 19.986 0.337) 20.934 9.257 ( 7.746 1.313 -4.745) 9.178 9.466 ( -10.667 5.702 -12.362) 17.295 9.977 ( 8.055 0.984 -8.167) 11.512 10.116 ( -3.494 -0.932 -7.947) 8.731 10.309 ( 3.817 -22.445 -0.584) 22.775 10.372 ( -4.652 -12.048 -15.867) 20.458 10.606 ( -0.874 -13.807 -10.222) 17.201 10.651 ( -4.101 -16.062 -9.536) 19.124 11.168 ( 12.459 4.050 -7.368) 15.031 11.388 ( 2.706 3.703 -10.259) 11.238 11.403 ( -10.211 1.573 -7.749) 12.914 11.428 ( -1.485 2.805 -13.063) 13.443 11.983 ( 2.759 9.130 -5.677) 11.099 12.037 ( -2.279 8.274 -2.305) 8.886 12.328 ( 3.324 1.073 -12.931) 13.394 12.351 ( 1.767 -0.189 -14.753) 14.860 12.935 ( 3.061 -3.618 -6.386) 7.953 12.993 ( -2.367 1.757 -4.066) 5.023 13.044 ( 8.653 -9.828 -4.695) 13.911 13.203 ( -5.304 -5.362 -1.134) 7.627 13.424 ( 0.685 -9.343 -2.749) 9.764 13.519 ( -7.646 -7.014 0.640) 10.395 13.794 ( 6.330 -12.279 -8.962) 16.467 13.912 ( -4.929 -12.639 -5.144) 14.508 14.668 ( 0.742 17.147 2.180) 17.301 14.697 ( -1.770 18.269 1.878) 18.450 14.921 ( 2.914 8.485 10.523) 13.828 14.992 ( -3.377 7.208 9.806) 12.630 15.267 ( 4.455 1.402 10.265) 11.277 15.323 ( -0.392 2.348 8.057) 8.401 15.946 ( 3.914 -14.032 9.195) 17.227 16.032 ( -4.323 -14.094 9.410) 17.489 16.212 ( 8.138 2.246 0.082) 8.442 16.400 ( -9.568 1.337 -1.622) 9.797 16.714 ( 4.702 -12.984 8.445) 16.187 16.824 ( -5.385 -10.266 9.377) 14.911 17.196 ( 2.806 -0.594 9.798) 10.210 17.244 ( -1.886 1.502 9.692) 9.987 17.330 ( 2.315 -1.451 13.376) 13.652 17.355 ( -0.025 -3.380 14.107) 14.506 18.308 ( 7.208 11.532 3.806) 14.122 18.487 ( -9.414 14.889 0.616) 17.626 19.277 ( 4.495 -16.554 -2.328) 17.311 19.437 ( -10.049 -14.234 -7.169) 18.841 21.029 ( 5.215 8.680 -12.488) 16.077 21.104 ( -0.695 9.153 -17.485) 19.748 21.263 ( 0.682 2.866 -19.867) 20.085 21.309 ( -2.769 3.548 -23.563) 23.989 22.193 ( 1.997 5.799 -22.941) 23.747 22.233 ( -1.837 4.792 -24.062) 24.603 22.430 ( 2.463 -1.506 -16.771) 17.018 22.480 ( -2.379 -2.986 -14.667) 15.155 23.189 ( 8.381 5.939 8.823) 13.541 23.362 ( -8.065 6.663 9.344) 14.027 23.720 ( 9.157 -7.453 -0.003) 11.807 23.877 ( -6.048 -4.791 -1.584) 7.876 25.523 ( 0.587 -0.501 5.780) 5.832 25.546 ( -1.392 -1.449 6.128) 6.449 26.130 ( 6.842 -21.658 7.525) 23.928 26.259 ( -5.461 -26.082 8.758) 28.049 29.810 ( 9.659 15.310 -13.119) 22.356 29.847 ( 8.528 15.394 -17.119) 24.551 30.047 ( -7.884 12.583 -7.391) 16.587 30.108 ( -11.161 15.284 -21.995) 29.016 32.007 ( 2.149 8.727 29.265) 30.614 32.050 ( -1.907 11.012 28.108) 30.249 32.910 ( 11.973 -17.954 34.135) 40.384 33.197 ( -15.632 -25.054 35.851) 46.448 ======================= Grid point 110 (43/105) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.627 ( 0.000 45.943 20.836) 50.447 5.173 ( 0.000 39.199 23.181) 45.540 5.470 ( 0.000 -17.887 11.132) 21.068 5.642 ( 0.000 -11.730 13.456) 17.851 5.803 ( 0.000 -17.395 10.296) 20.213 6.051 ( 0.000 -38.268 15.440) 41.266 6.529 ( 0.000 27.740 16.028) 32.037 7.048 ( 0.000 -22.182 8.034) 23.592 7.581 ( 0.000 15.725 4.848) 16.456 7.770 ( 0.000 14.212 10.304) 17.555 8.060 ( 0.000 6.836 1.931) 7.104 8.117 ( 0.000 56.096 29.131) 63.209 8.494 ( 0.000 8.082 -7.130) 10.778 8.568 ( 0.000 -20.387 0.656) 20.398 8.617 ( 0.000 -6.954 0.510) 6.972 9.237 ( 0.000 -51.625 23.470) 56.710 9.575 ( 0.000 22.444 -10.440) 24.754 9.694 ( 0.000 8.159 -13.075) 15.412 9.829 ( 0.000 -1.880 -5.209) 5.538 9.947 ( 0.000 -12.317 -11.223) 16.663 10.162 ( 0.000 17.582 -1.157) 17.620 10.447 ( 0.000 -12.649 -4.662) 13.480 10.610 ( 0.000 -1.974 -16.996) 17.110 10.643 ( 0.000 -3.055 -15.392) 15.692 10.883 ( 0.000 9.304 -12.402) 15.504 11.126 ( 0.000 -13.718 -9.914) 16.925 11.526 ( 0.000 7.822 -5.119) 9.348 11.640 ( 0.000 -2.780 -8.051) 8.517 12.130 ( 0.000 9.844 -10.875) 14.669 12.261 ( 0.000 3.982 -10.754) 11.467 12.283 ( 0.000 8.037 -6.024) 10.043 12.320 ( 0.000 0.773 -12.462) 12.486 12.561 ( 0.000 -4.857 -15.240) 15.995 12.680 ( 0.000 -11.751 -8.660) 14.597 13.123 ( 0.000 2.563 7.581) 8.003 13.245 ( 0.000 -11.305 -7.952) 13.821 13.350 ( 0.000 6.316 -3.293) 7.123 13.477 ( 0.000 -5.155 -1.510) 5.372 13.649 ( 0.000 -1.581 -9.507) 9.638 13.762 ( 0.000 -10.300 -1.610) 10.425 14.912 ( 0.000 6.615 10.384) 12.313 14.938 ( 0.000 3.936 10.124) 10.862 15.127 ( 0.000 12.008 7.665) 14.246 15.183 ( 0.000 5.962 6.042) 8.488 15.321 ( 0.000 3.812 12.003) 12.594 15.369 ( 0.000 16.986 11.344) 20.425 15.560 ( 0.000 -15.171 8.017) 17.159 15.790 ( 0.000 -20.840 7.667) 22.206 16.054 ( 0.000 2.971 3.899) 4.902 16.192 ( 0.000 -11.621 6.953) 13.543 16.753 ( 0.000 -1.647 0.935) 1.894 16.784 ( 0.000 -5.131 6.005) 7.898 17.155 ( 0.000 4.321 11.255) 12.056 17.225 ( 0.000 -2.534 9.709) 10.035 17.321 ( 0.000 2.059 11.510) 11.693 17.347 ( 0.000 0.321 11.441) 11.445 18.383 ( 0.000 13.301 1.282) 13.363 18.632 ( 0.000 -9.828 -3.029) 10.284 19.340 ( 0.000 7.126 -2.999) 7.732 19.529 ( 0.000 -10.329 -9.128) 13.785 20.983 ( 0.000 2.033 -14.595) 14.736 20.999 ( 0.000 0.356 -18.984) 18.987 21.411 ( 0.000 2.998 -20.631) 20.848 21.430 ( 0.000 1.094 -22.202) 22.229 22.254 ( 0.000 3.957 -20.084) 20.470 22.306 ( 0.000 -1.804 -24.290) 24.357 22.408 ( 0.000 4.040 -15.927) 16.431 22.464 ( 0.000 -2.428 -16.320) 16.500 23.116 ( 0.000 6.726 5.585) 8.743 23.264 ( 0.000 -8.050 2.822) 8.530 23.726 ( 0.000 10.114 5.890) 11.704 23.910 ( 0.000 -7.426 -0.545) 7.446 25.556 ( 0.000 3.486 5.513) 6.523 25.614 ( 0.000 6.412 7.192) 9.635 25.696 ( 0.000 -9.668 7.533) 12.257 25.872 ( 0.000 -19.247 11.718) 22.533 29.777 ( 0.000 5.912 -12.139) 13.502 29.799 ( 0.000 3.568 -12.153) 12.666 30.477 ( 0.000 8.308 -11.989) 14.586 30.556 ( 0.000 1.063 -19.234) 19.264 32.131 ( 0.000 11.163 30.068) 32.074 32.323 ( 0.000 -1.041 33.633) 33.650 32.525 ( 0.000 9.556 25.390) 27.129 32.972 ( 0.000 -29.274 31.620) 43.090 ======================= Grid point 111 (44/105) ======================= q-point: ( 0.20 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 3.977 43.553 20.961) 48.498 5.256 ( 5.072 35.438 21.159) 41.584 5.386 ( -6.342 4.935 12.710) 15.037 5.578 ( -2.822 -23.222 16.820) 28.812 5.761 ( -4.391 -22.161 11.451) 25.328 6.142 ( 8.211 -38.881 14.412) 42.271 6.339 ( -16.109 30.008 16.225) 37.725 6.918 ( -11.334 -26.573 9.181) 30.313 7.695 ( 9.556 15.875 4.361) 19.036 7.883 ( 8.335 8.249 6.542) 13.429 7.994 ( -0.679 23.786 8.378) 25.228 8.317 ( 11.475 37.985 18.593) 43.821 8.371 ( -5.413 -4.131 -2.743) 7.341 8.700 ( 9.460 3.452 -2.504) 10.377 8.787 ( 14.422 -10.566 0.400) 17.883 9.336 ( 8.687 -45.172 20.761) 50.468 9.448 ( -10.336 19.290 -5.694) 22.613 9.662 ( -8.958 3.780 -4.821) 10.852 9.770 ( -2.958 4.382 -11.524) 12.679 9.903 ( -4.598 -1.603 -5.628) 7.442 10.112 ( -1.415 6.164 -6.472) 9.049 10.391 ( -5.458 -16.836 -3.528) 18.047 10.487 ( -11.328 -2.326 -16.556) 20.194 10.514 ( -6.743 -4.709 -15.347) 17.412 11.049 ( 11.433 7.878 -11.806) 18.224 11.226 ( 7.583 -9.409 -11.224) 16.493 11.517 ( -1.088 5.703 -6.875) 8.999 11.588 ( -4.877 -1.091 -9.465) 10.704 12.157 ( 2.334 10.930 -10.255) 15.168 12.254 ( -0.789 6.763 -3.427) 7.622 12.306 ( 2.369 3.663 -13.055) 13.764 12.329 ( 0.837 0.201 -12.257) 12.287 12.635 ( 6.726 -5.062 -13.130) 15.596 12.729 ( 4.622 -10.418 -6.827) 13.286 13.087 ( -3.533 0.880 5.899) 6.933 13.187 ( -5.554 -10.683 -6.816) 13.836 13.360 ( 1.171 6.408 -4.079) 7.685 13.504 ( 2.522 -6.818 -4.122) 8.357 13.598 ( -4.336 1.264 -8.381) 9.520 13.744 ( -2.140 -11.051 -3.778) 11.873 14.929 ( 1.611 7.649 10.205) 12.855 14.946 ( 1.063 6.129 10.618) 12.306 15.152 ( -2.449 6.446 8.703) 11.104 15.163 ( 1.540 8.242 8.905) 12.231 15.272 ( -1.638 8.200 11.234) 14.004 15.408 ( 1.701 11.213 8.888) 14.409 15.579 ( 1.810 -15.643 8.353) 17.826 15.773 ( -1.835 -19.391 8.012) 21.061 16.114 ( 5.709 3.454 2.890) 7.272 16.249 ( 5.420 -10.890 6.035) 13.579 16.671 ( -7.052 -0.004 0.768) 7.094 16.738 ( -4.882 -7.165 5.311) 10.167 17.179 ( 2.197 3.965 11.493) 12.355 17.247 ( 1.963 -2.391 10.479) 10.926 17.318 ( -0.508 1.903 11.786) 11.949 17.345 ( -0.232 0.010 11.542) 11.544 18.434 ( 5.039 14.104 1.179) 15.023 18.684 ( 4.901 -8.301 -3.483) 10.250 19.200 ( -12.164 6.486 -1.462) 13.862 19.408 ( -10.895 -12.022 -7.693) 17.956 21.037 ( 5.417 3.953 -15.951) 17.303 21.083 ( 6.534 -0.511 -19.988) 21.035 21.383 ( -2.763 3.210 -20.101) 20.543 21.408 ( -2.223 0.755 -22.577) 22.699 22.267 ( 1.201 3.944 -20.100) 20.519 22.313 ( 0.612 -0.608 -24.318) 24.333 22.392 ( -1.207 2.441 -16.259) 16.486 22.450 ( -1.385 -2.955 -16.941) 17.253 23.182 ( 6.291 8.151 5.943) 11.888 23.353 ( 8.017 -8.876 3.219) 12.386 23.677 ( -4.760 10.158 6.082) 12.761 23.866 ( -4.300 -8.021 0.172) 9.103 25.560 ( 0.454 4.469 5.698) 7.256 25.612 ( -0.402 6.982 7.716) 10.413 25.718 ( 2.165 -11.351 7.068) 13.546 25.864 ( -0.847 -18.764 10.936) 21.735 29.843 ( 6.315 5.825 -11.851) 14.638 29.863 ( 6.210 3.747 -12.663) 14.593 30.409 ( -6.466 7.801 -11.577) 15.385 30.478 ( -7.411 1.555 -18.372) 19.871 32.160 ( 2.775 11.990 29.710) 32.158 32.350 ( 1.805 5.084 32.804) 33.244 32.506 ( -0.916 1.104 26.271) 26.310 32.900 ( -6.695 -27.069 31.688) 42.210 ======================= Grid point 112 (45/105) ======================= q-point: ( 0.40 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.805 ( 10.293 37.026 20.169) 43.401 5.067 ( -14.667 27.849 17.236) 35.885 5.510 ( 7.835 -15.461 16.847) 24.172 5.623 ( 5.727 6.967 18.846) 20.893 5.647 ( -1.216 -18.939 14.818) 24.078 5.968 ( -19.016 33.960 17.942) 42.858 6.362 ( 12.982 -37.692 12.686) 41.835 6.646 ( -14.509 -33.189 10.764) 37.788 7.898 ( 8.690 17.324 3.353) 19.670 7.978 ( 0.351 11.955 4.337) 12.722 8.052 ( 5.556 8.017 1.685) 9.898 8.199 ( -8.496 -3.777 -2.185) 9.551 8.645 ( 17.434 33.085 12.359) 39.387 8.886 ( 2.092 21.292 5.868) 22.184 9.132 ( 18.182 -9.084 -3.212) 20.577 9.216 ( -4.454 17.687 -0.383) 18.244 9.374 ( -12.990 11.763 0.897) 17.547 9.512 ( -15.201 -5.019 -0.101) 16.009 9.636 ( 10.397 -28.152 8.723) 31.253 9.857 ( -5.657 -15.602 -0.610) 16.607 10.141 ( 3.606 0.547 -9.506) 10.182 10.245 ( -6.042 -4.486 -13.513) 15.467 10.321 ( -3.484 -9.573 -10.421) 14.573 10.376 ( -6.381 -8.681 -15.185) 18.619 11.270 ( 10.082 5.739 -12.094) 16.759 11.373 ( 6.262 -4.030 -10.896) 13.197 11.455 ( -7.963 2.381 -11.614) 14.282 11.473 ( -3.479 0.996 -9.722) 10.373 12.205 ( 2.056 11.649 -8.108) 14.341 12.236 ( -1.083 9.929 -5.138) 11.232 12.346 ( 1.196 -0.608 -11.098) 11.179 12.352 ( 0.821 -1.687 -11.950) 12.096 12.801 ( 8.764 -4.179 -8.472) 12.885 12.853 ( 6.763 -7.198 -4.319) 10.780 12.985 ( -5.992 -3.793 0.247) 7.096 13.039 ( -8.281 -9.698 -5.592) 13.925 13.407 ( 3.538 6.568 -5.349) 9.180 13.498 ( -5.099 5.496 -6.224) 9.744 13.577 ( 4.449 -10.018 -7.759) 13.430 13.673 ( -4.603 -11.207 -6.754) 13.871 14.970 ( 2.152 10.875 9.414) 14.544 14.982 ( 1.641 9.643 10.244) 14.164 15.098 ( -1.715 4.857 12.253) 13.292 15.125 ( -3.551 2.400 13.472) 14.137 15.327 ( 4.998 9.550 7.835) 13.325 15.407 ( -2.177 9.669 7.674) 12.535 15.633 ( 3.556 -17.270 8.230) 19.459 15.713 ( -3.881 -17.722 8.125) 19.878 16.271 ( 9.238 4.407 0.907) 10.276 16.384 ( 5.429 -4.777 3.528) 8.046 16.507 ( -6.643 -3.051 1.665) 7.497 16.598 ( -8.313 -9.905 5.024) 13.873 17.234 ( 2.902 3.548 11.818) 12.676 17.280 ( -0.545 1.902 11.670) 11.837 17.305 ( 0.772 -1.505 11.895) 12.015 17.334 ( -1.065 -1.329 11.805) 11.927 18.589 ( 10.149 15.982 0.478) 18.938 18.775 ( -1.773 9.975 -3.654) 10.770 18.977 ( -2.566 -10.364 -0.087) 10.678 19.149 ( -13.111 -15.136 -4.876) 20.611 21.168 ( 6.639 5.255 -17.547) 19.483 21.217 ( 5.511 1.248 -21.711) 22.434 21.305 ( -4.308 2.448 -19.381) 20.005 21.341 ( -4.302 -0.335 -22.863) 23.266 22.295 ( 1.428 4.374 -20.630) 21.137 22.318 ( -0.559 3.979 -22.602) 22.957 22.381 ( 0.699 -2.925 -17.679) 17.932 22.414 ( -2.014 -3.819 -18.044) 18.554 23.350 ( 9.553 9.899 6.449) 15.194 23.530 ( -2.270 4.966 5.408) 7.685 23.556 ( 3.987 -4.354 4.118) 7.198 23.739 ( -8.148 -9.235 1.784) 12.444 25.575 ( 0.991 6.177 6.418) 8.963 25.597 ( -0.999 7.148 7.420) 10.351 25.776 ( 3.152 -14.341 7.546) 16.508 25.833 ( -2.288 -17.110 9.177) 19.550 30.015 ( 10.137 6.089 -11.005) 16.153 30.040 ( 10.697 4.026 -14.586) 18.531 30.234 ( -10.174 6.407 -10.809) 16.168 30.279 ( -11.497 2.525 -16.404) 20.190 32.237 ( 4.602 14.425 29.033) 32.744 32.330 ( -3.885 17.120 29.278) 34.137 32.562 ( 6.640 -17.038 30.281) 35.374 32.731 ( -9.199 -22.301 31.511) 39.685 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.000 0.000 52.667) 52.667 3.467 ( 0.000 0.000 56.672) 56.672 5.048 ( 0.000 0.000 31.142) 31.142 5.201 ( 0.000 0.000 -2.551) 2.551 6.195 ( 0.000 0.000 91.796) 91.796 6.319 ( 0.000 0.000 34.394) 34.394 6.954 ( 0.000 0.000 13.143) 13.143 7.009 ( 0.000 0.000 -10.921) 10.921 7.387 ( 0.000 0.000 -11.150) 11.150 7.617 ( 0.000 0.000 -4.196) 4.196 7.834 ( 0.000 0.000 -10.680) 10.680 8.206 ( 0.000 0.000 0.940) 0.940 8.219 ( 0.000 0.000 -13.348) 13.348 8.495 ( 0.000 0.000 5.956) 5.956 8.784 ( 0.000 0.000 -1.459) 1.459 9.044 ( 0.000 0.000 -3.165) 3.165 9.209 ( 0.000 0.000 -8.209) 8.209 9.553 ( 0.000 0.000 4.922) 4.922 9.582 ( 0.000 0.000 6.525) 6.525 9.722 ( 0.000 0.000 -22.599) 22.599 9.789 ( 0.000 0.000 9.619) 9.619 10.170 ( 0.000 0.000 -16.742) 16.742 10.367 ( 0.000 0.000 -28.139) 28.139 10.872 ( 0.000 0.000 -18.397) 18.397 10.898 ( 0.000 0.000 -15.237) 15.237 10.953 ( 0.000 0.000 3.735) 3.735 11.274 ( 0.000 0.000 -7.703) 7.703 11.676 ( 0.000 0.000 -4.758) 4.758 11.703 ( 0.000 0.000 0.004) 0.004 11.902 ( 0.000 0.000 -24.440) 24.440 12.025 ( 0.000 0.000 -28.054) 28.054 12.082 ( 0.000 0.000 -26.784) 26.784 12.268 ( 0.000 0.000 20.438) 20.438 12.500 ( 0.000 0.000 13.780) 13.780 13.581 ( 0.000 0.000 5.057) 5.057 13.700 ( 0.000 0.000 4.791) 4.791 13.704 ( 0.000 0.000 -7.706) 7.706 13.739 ( 0.000 0.000 4.004) 4.004 14.208 ( 0.000 0.000 -4.528) 4.528 14.246 ( 0.000 0.000 11.385) 11.385 14.252 ( 0.000 0.000 3.891) 3.891 14.292 ( 0.000 0.000 -10.631) 10.631 14.460 ( 0.000 0.000 -4.365) 4.365 14.904 ( 0.000 0.000 1.874) 1.874 15.206 ( 0.000 0.000 6.557) 6.557 15.661 ( 0.000 0.000 -25.684) 25.684 15.998 ( 0.000 0.000 5.970) 5.970 16.146 ( 0.000 0.000 4.337) 4.337 16.602 ( 0.000 0.000 5.915) 5.915 16.722 ( 0.000 0.000 -2.940) 2.940 16.869 ( 0.000 0.000 21.147) 21.147 17.066 ( 0.000 0.000 14.226) 14.226 17.165 ( 0.000 0.000 6.881) 6.881 17.400 ( 0.000 0.000 15.827) 15.827 17.441 ( 0.000 0.000 8.410) 8.410 17.990 ( 0.000 0.000 0.820) 0.820 18.611 ( 0.000 0.000 9.043) 9.043 18.798 ( 0.000 0.000 9.741) 9.741 19.637 ( 0.000 0.000 -22.876) 22.876 19.785 ( 0.000 0.000 -43.224) 43.224 20.447 ( 0.000 0.000 -3.536) 3.536 20.465 ( 0.000 0.000 -4.945) 4.945 20.933 ( 0.000 0.000 4.966) 4.966 21.003 ( 0.000 0.000 3.361) 3.361 21.285 ( 0.000 0.000 -30.762) 30.762 21.532 ( 0.000 0.000 -29.621) 29.621 22.104 ( 0.000 0.000 -5.076) 5.076 22.917 ( 0.000 0.000 6.100) 6.100 23.574 ( 0.000 0.000 -1.045) 1.045 23.634 ( 0.000 0.000 4.950) 4.950 23.667 ( 0.000 0.000 -3.627) 3.627 24.079 ( 0.000 0.000 3.877) 3.877 25.782 ( 0.000 0.000 -1.359) 1.359 25.841 ( 0.000 0.000 5.914) 5.914 26.879 ( 0.000 0.000 7.380) 7.380 27.375 ( 0.000 0.000 1.368) 1.368 28.426 ( 0.000 0.000 -14.611) 14.611 28.446 ( 0.000 0.000 12.625) 12.625 28.514 ( 0.000 0.000 -28.037) 28.037 29.531 ( 0.000 0.000 -2.012) 2.012 32.315 ( 0.000 0.000 28.187) 28.187 32.504 ( 0.000 0.000 29.305) 29.305 33.815 ( 0.000 0.000 36.031) 36.031 35.826 ( 0.000 0.000 -4.048) 4.048 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 18.494 0.000 47.583) 51.051 3.609 ( 13.630 0.000 53.860) 55.558 4.880 ( -15.851 0.000 34.019) 37.531 4.948 ( -21.670 0.000 9.162) 23.528 6.335 ( 13.617 0.000 86.996) 88.055 6.530 ( 16.709 0.000 27.803) 32.438 6.891 ( 1.272 0.000 1.822) 2.222 7.150 ( 6.113 0.000 -5.502) 8.224 7.370 ( -1.573 0.000 -11.065) 11.176 7.623 ( -7.213 0.000 -6.108) 9.452 7.885 ( 13.214 0.000 -3.573) 13.689 8.002 ( -14.397 0.000 -3.109) 14.728 8.209 ( -2.208 0.000 -4.475) 4.990 8.395 ( -14.692 0.000 8.920) 17.188 8.734 ( -3.085 0.000 -0.866) 3.205 9.094 ( 0.981 0.000 -1.897) 2.136 9.200 ( -11.387 0.000 -6.005) 12.873 9.403 ( 0.297 0.000 6.660) 6.667 9.403 ( 1.083 0.000 -4.825) 4.946 9.805 ( 2.048 0.000 -15.048) 15.187 10.110 ( 16.630 0.000 0.433) 16.635 10.184 ( 1.017 0.000 -19.917) 19.943 10.337 ( -2.172 0.000 -27.001) 27.088 10.868 ( -7.451 0.000 4.061) 8.486 10.871 ( 0.048 0.000 -18.239) 18.239 10.899 ( -0.074 0.000 -17.314) 17.315 11.345 ( 6.268 0.000 -7.190) 9.538 11.670 ( -0.012 0.000 -3.064) 3.065 11.713 ( 0.364 0.000 -0.586) 0.690 11.819 ( -7.070 0.000 -19.869) 21.090 12.036 ( 0.987 0.000 -28.108) 28.125 12.083 ( 0.044 0.000 -26.857) 26.857 12.368 ( 8.710 0.000 17.163) 19.247 12.554 ( 4.147 0.000 11.091) 11.841 13.599 ( 3.270 0.000 1.974) 3.819 13.709 ( 0.822 0.000 5.139) 5.204 13.741 ( 0.143 0.000 4.314) 4.316 13.833 ( 9.485 0.000 -3.334) 10.054 14.135 ( -8.956 0.000 5.569) 10.546 14.205 ( -0.128 0.000 -5.192) 5.194 14.211 ( -4.047 0.000 8.312) 9.245 14.276 ( -1.454 0.000 -10.179) 10.282 14.538 ( 6.938 0.000 -6.719) 9.658 14.908 ( 0.200 0.000 0.117) 0.232 15.172 ( -2.558 0.000 7.890) 8.294 15.557 ( -9.790 0.000 -19.689) 21.988 16.013 ( 1.416 0.000 5.747) 5.919 16.131 ( -1.348 0.000 4.405) 4.607 16.596 ( 0.193 0.000 4.367) 4.371 16.718 ( -0.953 0.000 -2.141) 2.344 16.885 ( 1.491 0.000 20.443) 20.497 17.043 ( -2.127 0.000 14.391) 14.548 17.193 ( 2.540 0.000 8.239) 8.622 17.382 ( -1.799 0.000 14.863) 14.971 17.540 ( 8.862 0.000 6.601) 11.050 17.980 ( -1.354 0.000 0.919) 1.636 18.624 ( 1.190 0.000 8.998) 9.076 18.774 ( -2.250 0.000 9.151) 9.423 19.623 ( -1.038 0.000 -24.065) 24.087 19.747 ( -3.440 0.000 -40.574) 40.719 20.450 ( 0.308 0.000 -3.603) 3.617 20.467 ( 0.107 0.000 -4.637) 4.638 20.938 ( 0.513 0.000 4.743) 4.771 20.995 ( -0.730 0.000 3.447) 3.523 21.313 ( 2.636 0.000 -31.059) 31.170 21.513 ( -1.862 0.000 -30.093) 30.151 22.144 ( 4.168 0.000 -2.552) 4.887 22.847 ( -9.760 0.000 7.251) 12.159 23.353 ( -7.036 0.000 6.521) 9.593 23.604 ( -2.989 0.000 5.820) 6.543 23.810 ( 5.507 0.000 -5.766) 7.973 24.046 ( -3.005 0.000 0.888) 3.134 25.844 ( 3.125 0.000 4.234) 5.262 25.911 ( 5.745 0.000 0.570) 5.773 27.069 ( 18.676 0.000 -1.586) 18.743 27.427 ( 5.099 0.000 1.168) 5.231 28.107 ( -15.659 0.000 -0.898) 15.685 28.398 ( -11.354 0.000 -27.497) 29.749 28.767 ( 15.958 0.000 -0.965) 15.987 29.475 ( -5.424 0.000 -1.946) 5.762 32.334 ( 1.822 0.000 28.326) 28.384 32.488 ( -1.536 0.000 29.267) 29.308 33.935 ( 11.971 0.000 35.085) 37.071 35.524 ( -27.023 0.000 5.972) 27.675 ======================= Grid point 137 (48/105) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.851 ( 27.622 0.000 36.605) 45.857 3.984 ( 22.358 0.000 47.316) 52.333 4.428 ( -28.262 0.000 24.000) 37.078 4.464 ( -23.688 0.000 40.127) 46.597 6.684 ( 17.693 0.000 71.631) 73.783 6.828 ( 7.549 0.000 39.260) 39.980 7.023 ( 10.574 0.000 -2.687) 10.910 7.206 ( -2.664 0.000 -7.447) 7.909 7.334 ( -0.950 0.000 -10.034) 10.079 7.407 ( -9.301 0.000 -5.667) 10.892 7.737 ( -6.075 0.000 -0.522) 6.098 7.936 ( -21.907 0.000 10.858) 24.450 8.297 ( 24.068 0.000 0.016) 24.068 8.299 ( 8.062 0.000 -6.139) 10.134 8.532 ( -13.393 0.000 -5.043) 14.311 8.792 ( -23.904 0.000 -1.454) 23.948 9.261 ( 12.005 0.000 4.331) 12.763 9.430 ( -2.799 0.000 5.607) 6.266 9.576 ( 10.598 0.000 -10.490) 14.911 9.758 ( -6.375 0.000 -12.861) 14.355 10.197 ( 1.145 0.000 -27.922) 27.945 10.239 ( -2.411 0.000 -29.781) 29.879 10.453 ( 12.435 0.000 -0.069) 12.435 10.684 ( -10.303 0.000 2.966) 10.721 10.878 ( 0.644 0.000 -19.285) 19.296 10.892 ( -0.580 0.000 -19.441) 19.450 11.496 ( 8.052 0.000 -8.476) 11.691 11.660 ( -8.147 0.000 -12.963) 15.310 11.683 ( 1.152 0.000 -1.339) 1.766 11.707 ( -0.943 0.000 -0.526) 1.079 12.060 ( 1.212 0.000 -27.879) 27.905 12.079 ( -0.577 0.000 -27.269) 27.275 12.545 ( 7.061 0.000 11.430) 13.435 12.613 ( 0.474 0.000 9.550) 9.562 13.719 ( 8.268 0.000 1.584) 8.419 13.728 ( 0.919 0.000 5.539) 5.615 13.741 ( -0.285 0.000 5.102) 5.110 13.917 ( -10.177 0.000 2.149) 10.402 14.006 ( 5.505 0.000 4.644) 7.202 14.114 ( -5.090 0.000 7.506) 9.069 14.211 ( 0.864 0.000 -6.959) 7.013 14.240 ( -1.864 0.000 -8.887) 9.080 14.735 ( 11.285 0.000 -13.122) 17.307 14.890 ( -3.105 0.000 -6.925) 7.589 15.151 ( 2.117 0.000 8.652) 8.908 15.310 ( -12.602 0.000 -5.683) 13.824 16.050 ( 2.178 0.000 5.216) 5.653 16.095 ( -2.128 0.000 4.690) 5.151 16.623 ( 2.361 0.000 1.636) 2.872 16.678 ( -2.726 0.000 -0.566) 2.785 16.928 ( 2.691 0.000 18.551) 18.746 16.988 ( -3.056 0.000 16.131) 16.418 17.258 ( 3.643 0.000 10.343) 10.966 17.330 ( -3.223 0.000 12.672) 13.075 17.746 ( 10.197 0.000 4.222) 11.037 17.913 ( -5.756 0.000 2.164) 6.149 18.659 ( 2.340 0.000 8.322) 8.644 18.716 ( -3.135 0.000 8.156) 8.738 19.618 ( 1.035 0.000 -27.989) 28.008 19.669 ( -3.705 0.000 -34.279) 34.478 20.459 ( 0.477 0.000 -3.744) 3.774 20.467 ( -0.223 0.000 -4.099) 4.105 20.954 ( 0.975 0.000 4.227) 4.338 20.976 ( -1.107 0.000 3.733) 3.894 21.382 ( 3.864 0.000 -31.359) 31.596 21.458 ( -3.447 0.000 -30.971) 31.162 22.284 ( 9.928 0.000 3.450) 10.510 22.549 ( -15.864 0.000 8.434) 17.967 23.377 ( 6.117 0.000 8.523) 10.491 23.511 ( -6.096 0.000 7.873) 9.957 23.896 ( 3.687 0.000 -5.347) 6.495 23.972 ( -3.888 0.000 -3.278) 5.085 25.912 ( 3.416 0.000 4.975) 6.035 25.962 ( -0.802 0.000 3.155) 3.255 27.560 ( 26.889 0.000 -17.018) 31.822 27.577 ( 9.680 0.000 0.636) 9.701 27.812 ( -13.304 0.000 -0.075) 13.304 28.063 ( -21.455 0.000 -24.896) 32.865 29.071 ( 13.800 0.000 -1.462) 13.878 29.316 ( -10.192 0.000 -1.759) 10.343 32.383 ( 2.927 0.000 28.683) 28.832 32.443 ( -2.783 0.000 29.065) 29.198 34.301 ( 24.080 0.000 31.357) 39.536 34.886 ( -32.552 0.000 22.009) 39.294 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 0.000 14.739 49.904) 52.035 3.754 ( 0.000 26.904 51.924) 58.480 5.218 ( 0.000 2.020 -1.149) 2.324 5.287 ( 0.000 22.959 29.250) 37.184 6.329 ( 0.000 14.450 83.196) 84.441 6.364 ( 0.000 4.343 31.123) 31.424 7.045 ( 0.000 8.391 15.428) 17.562 7.071 ( 0.000 5.257 -6.347) 8.242 7.448 ( 0.000 -0.107 -8.752) 8.753 7.563 ( 0.000 -4.797 -1.230) 4.952 7.723 ( 0.000 -4.401 -8.292) 9.387 8.087 ( 0.000 -11.056 0.520) 11.068 8.313 ( 0.000 7.204 -15.207) 16.827 8.550 ( 0.000 4.452 2.068) 4.909 8.767 ( 0.000 0.045 2.486) 2.486 8.858 ( 0.000 -14.645 -6.372) 15.971 9.174 ( 0.000 -0.681 -6.123) 6.161 9.509 ( 0.000 -3.133 2.333) 3.906 9.732 ( 0.000 4.914 -14.663) 15.464 9.835 ( 0.000 3.917 9.684) 10.446 9.877 ( 0.000 18.061 -3.225) 18.346 10.213 ( 0.000 4.150 -17.620) 18.103 10.378 ( 0.000 1.009 -24.550) 24.571 10.872 ( 0.000 -4.018 -7.392) 8.413 10.893 ( 0.000 1.832 -17.296) 17.393 10.997 ( 0.000 5.257 -7.494) 9.154 11.190 ( 0.000 -8.175 -7.096) 10.825 11.630 ( 0.000 -8.069 3.452) 8.776 11.683 ( 0.000 -0.301 -11.280) 11.284 11.876 ( 0.000 -2.382 -23.706) 23.825 11.948 ( 0.000 -4.496 -15.737) 16.367 11.972 ( 0.000 -2.890 -14.612) 14.895 12.516 ( 0.000 16.391 6.327) 17.569 12.565 ( 0.000 5.559 5.329) 7.701 13.474 ( 0.000 -15.115 -4.654) 15.816 13.479 ( 0.000 -6.837 -0.005) 6.837 13.845 ( 0.000 2.657 2.540) 3.676 13.867 ( 0.000 0.511 1.728) 1.802 13.966 ( 0.000 -7.231 1.061) 7.308 14.080 ( 0.000 -3.109 -6.549) 7.249 14.320 ( 0.000 1.040 11.206) 11.254 14.518 ( 0.000 8.461 -0.299) 8.466 14.529 ( 0.000 8.102 -3.004) 8.641 14.946 ( 0.000 3.704 -2.065) 4.240 15.243 ( 0.000 3.693 7.312) 8.192 15.439 ( 0.000 -12.929 -5.549) 14.069 16.116 ( 0.000 -2.974 3.313) 4.452 16.231 ( 0.000 15.185 -8.120) 17.219 16.575 ( 0.000 -2.692 6.413) 6.956 16.584 ( 0.000 -9.420 5.492) 10.904 17.007 ( 0.000 8.937 13.268) 15.997 17.140 ( 0.000 7.249 14.018) 15.782 17.224 ( 0.000 4.879 6.274) 7.947 17.384 ( 0.000 -3.074 16.127) 16.418 17.418 ( 0.000 -2.075 9.018) 9.253 17.938 ( 0.000 -4.894 0.404) 4.911 18.514 ( 0.000 -8.091 9.547) 12.514 18.665 ( 0.000 -12.477 9.685) 15.794 19.602 ( 0.000 -3.438 -22.530) 22.791 19.684 ( 0.000 -9.151 -35.325) 36.491 20.499 ( 0.000 4.232 -6.770) 7.983 20.515 ( 0.000 4.604 -6.162) 7.692 20.928 ( 0.000 -0.252 0.697) 0.741 21.014 ( 0.000 0.893 0.173) 0.910 21.344 ( 0.000 6.000 -29.229) 29.839 21.560 ( 0.000 2.811 -29.673) 29.806 22.108 ( 0.000 0.413 -4.760) 4.778 22.915 ( 0.000 -1.192 4.943) 5.084 23.435 ( 0.000 -23.413 3.531) 23.678 23.569 ( 0.000 -1.146 -2.557) 2.802 23.627 ( 0.000 0.069 7.383) 7.383 23.941 ( 0.000 -4.744 1.318) 4.924 25.738 ( 0.000 -3.987 -0.815) 4.070 25.795 ( 0.000 -3.969 5.187) 6.531 26.752 ( 0.000 -12.117 7.988) 14.512 27.598 ( 0.000 -5.279 -0.648) 5.318 28.233 ( 0.000 19.225 -6.538) 20.306 28.585 ( 0.000 15.068 -14.471) 20.892 28.972 ( 0.000 24.167 -14.856) 28.367 29.630 ( 0.000 9.383 -3.488) 10.010 32.340 ( 0.000 2.817 28.249) 28.389 32.497 ( 0.000 -0.447 29.532) 29.535 33.747 ( 0.000 -6.800 35.523) 36.168 35.551 ( 0.000 -26.172 3.073) 26.351 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 15.653 12.346 46.458) 50.555 3.896 ( 13.529 26.244 48.960) 57.174 4.961 ( -21.645 4.266 13.452) 25.839 5.127 ( -15.404 21.071 28.354) 38.539 6.447 ( 11.426 11.692 71.467) 73.313 6.563 ( 15.866 4.000 28.988) 33.287 6.990 ( 2.529 8.853 8.144) 12.292 7.229 ( 6.380 6.974 -2.115) 9.686 7.418 ( -2.348 -0.967 -7.821) 8.223 7.621 ( -2.846 0.374 -4.957) 5.729 7.738 ( 7.766 -8.436 0.242) 11.469 7.960 ( -6.991 -4.755 -5.511) 10.092 8.259 ( -7.188 2.719 -9.969) 12.587 8.479 ( -13.847 9.120 15.547) 22.730 8.642 ( 0.690 -6.161 -3.703) 7.222 9.014 ( 3.064 -8.952 -4.173) 10.342 9.145 ( 2.679 -4.986 -4.960) 7.526 9.305 ( -18.285 1.158 -1.359) 18.372 9.606 ( 0.070 9.436 0.814) 9.471 9.842 ( 2.602 3.043 -13.065) 13.665 10.163 ( 10.389 3.570 -4.999) 12.069 10.228 ( 1.435 4.786 -20.290) 20.897 10.369 ( 1.085 3.812 -20.656) 21.033 10.820 ( -4.806 -3.986 -3.137) 6.987 10.898 ( 0.286 2.415 -16.977) 17.150 10.963 ( -2.158 5.081 -13.562) 14.642 11.259 ( 5.553 -7.619 -5.945) 11.146 11.607 ( -3.549 -8.763 -8.108) 12.455 11.685 ( 1.921 -0.183 0.068) 1.931 11.855 ( -2.232 2.977 -13.134) 13.651 11.984 ( 3.301 -5.709 -22.616) 23.558 12.004 ( 2.349 -1.938 -18.776) 19.022 12.559 ( 4.010 13.950 6.868) 16.058 12.606 ( 3.390 4.876 5.174) 7.876 13.450 ( 2.151 -11.691 -1.908) 12.040 13.585 ( 4.698 -9.792 -0.518) 10.873 13.806 ( -2.473 -2.834 2.007) 4.263 13.925 ( 2.323 -5.007 -2.015) 5.876 13.974 ( 1.180 1.308 6.099) 6.348 14.069 ( 0.440 -3.382 -9.193) 9.805 14.245 ( -6.054 1.111 9.591) 11.396 14.405 ( -5.133 8.530 -0.323) 9.961 14.655 ( 6.303 7.298 -2.883) 10.065 14.940 ( -0.804 2.933 -4.451) 5.390 15.204 ( -2.532 3.090 8.802) 9.666 15.418 ( -2.857 -7.613 -4.758) 9.421 16.112 ( -0.290 -1.695 3.263) 3.689 16.194 ( -3.100 12.833 -3.613) 13.688 16.552 ( -0.645 -4.717 5.051) 6.941 16.597 ( 0.024 -7.899 5.592) 9.678 17.009 ( 0.218 8.297 13.525) 15.869 17.118 ( -2.000 7.275 13.480) 15.448 17.242 ( 1.606 4.044 8.406) 9.465 17.342 ( -1.512 -4.489 12.977) 13.814 17.547 ( 9.180 0.071 8.825) 12.734 17.936 ( -0.548 -4.166 0.582) 4.242 18.522 ( 0.745 -8.608 9.844) 13.098 18.642 ( -2.108 -12.305 9.401) 15.628 19.576 ( -1.977 -4.726 -23.242) 23.800 19.655 ( -2.741 -8.298 -33.158) 34.290 20.505 ( 0.549 4.749 -6.710) 8.239 20.518 ( 0.270 4.715 -6.302) 7.875 20.930 ( 0.219 -0.624 0.570) 0.873 20.999 ( -1.336 0.300 0.016) 1.370 21.370 ( 2.359 5.649 -29.590) 30.217 21.546 ( -1.466 3.226 -29.959) 30.168 22.148 ( 4.118 0.393 -2.743) 4.963 22.810 ( -11.914 -5.019 5.483) 14.042 23.278 ( -2.383 -7.126 7.961) 10.947 23.591 ( -3.406 -0.821 6.962) 7.794 23.759 ( 8.270 -5.862 -4.928) 11.271 23.940 ( -0.272 -4.608 0.026) 4.616 25.762 ( 2.320 -6.311 3.049) 7.383 25.848 ( 3.432 -5.375 2.361) 6.800 26.856 ( 10.250 -15.286 4.635) 18.979 27.582 ( -2.966 -15.028 -0.382) 15.322 28.166 ( -2.495 31.169 -9.566) 32.699 28.607 ( -2.085 18.067 -20.287) 27.245 29.019 ( 6.121 19.513 -8.046) 21.977 29.576 ( -5.240 9.504 -3.400) 11.372 32.356 ( 1.499 2.471 28.395) 28.542 32.485 ( -1.275 -0.177 29.475) 29.504 33.859 ( 11.101 -7.635 34.651) 37.178 35.291 ( -23.538 -22.464 10.710) 34.254 ======================= Grid point 142 (51/105) ======================= q-point: ( 0.40 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 25.102 8.189 38.208) 46.444 4.263 ( 21.464 24.159 41.979) 52.978 4.449 ( -27.191 5.643 27.544) 39.113 4.726 ( -22.706 21.891 34.539) 46.773 6.725 ( 13.544 5.326 50.320) 52.382 6.840 ( 6.235 3.207 34.090) 34.803 7.139 ( 9.992 7.769 9.260) 15.682 7.267 ( -2.813 2.120 -4.685) 5.861 7.409 ( 2.994 6.806 -3.870) 8.382 7.486 ( -5.911 5.726 -7.861) 11.381 7.764 ( -2.707 2.830 -2.766) 4.795 7.931 ( -10.885 -1.822 10.960) 15.554 8.184 ( -1.404 3.254 6.463) 7.371 8.194 ( 1.503 -9.384 -0.027) 9.504 8.626 ( 1.629 4.709 -6.350) 8.072 8.885 ( -20.250 4.519 -0.592) 20.756 9.131 ( 8.819 -10.056 -1.413) 13.450 9.232 ( 0.669 -11.387 -3.601) 11.962 9.698 ( 6.084 5.949 -4.791) 9.765 9.814 ( -4.744 4.105 -9.238) 11.167 10.220 ( 0.593 -0.030 -27.283) 27.289 10.244 ( -1.254 1.349 -25.381) 25.448 10.510 ( 9.831 5.445 -3.217) 11.689 10.690 ( -7.747 0.475 -0.144) 7.763 10.908 ( 0.769 2.832 -18.343) 18.576 10.929 ( -1.285 3.498 -18.435) 18.808 11.384 ( 6.412 -8.216 -5.992) 12.022 11.509 ( -5.734 -8.688 -7.974) 13.113 11.741 ( 3.066 1.919 -0.572) 3.661 11.802 ( -2.880 4.284 -4.928) 7.136 12.040 ( 1.743 -2.587 -26.055) 26.242 12.045 ( 1.225 -0.934 -22.427) 22.480 12.646 ( 3.448 8.680 6.121) 11.167 12.666 ( 1.571 5.033 5.432) 7.571 13.549 ( 6.657 -11.638 -0.570) 13.420 13.633 ( -0.179 -8.913 2.274) 9.201 13.762 ( -0.986 -6.381 0.912) 6.521 13.831 ( -7.591 -9.316 -2.752) 12.328 14.045 ( 4.004 4.790 7.194) 9.526 14.132 ( -4.586 4.744 7.999) 10.370 14.170 ( 7.161 -2.706 -7.543) 10.747 14.300 ( -5.542 4.546 -2.198) 7.497 14.784 ( 6.432 3.710 -6.345) 9.767 14.895 ( -4.004 0.845 -7.734) 8.750 15.200 ( 3.029 5.160 8.215) 10.163 15.313 ( -6.785 1.741 0.079) 7.005 16.111 ( 0.381 1.665 3.377) 3.784 16.136 ( -2.158 6.693 2.199) 7.368 16.558 ( 1.058 -5.823 3.752) 7.008 16.584 ( -1.204 -7.435 4.106) 8.578 17.024 ( 1.465 7.361 14.332) 16.178 17.068 ( -2.653 7.013 14.199) 16.057 17.280 ( 1.968 1.473 10.138) 10.431 17.315 ( -1.423 -1.956 11.335) 11.590 17.745 ( 9.356 -0.266 5.378) 10.795 17.891 ( -4.570 -2.182 2.238) 5.537 18.545 ( 1.617 -10.127 9.705) 14.120 18.590 ( -2.721 -11.631 9.164) 15.055 19.553 ( 0.277 -6.385 -25.313) 26.107 19.590 ( -3.059 -7.265 -28.930) 29.984 20.517 ( 0.495 5.317 -6.596) 8.486 20.522 ( -0.004 5.142 -6.503) 8.290 20.941 ( 0.945 -1.090 0.248) 1.464 20.968 ( -1.593 -0.720 -0.019) 1.748 21.431 ( 3.463 4.842 -30.223) 30.803 21.499 ( -3.030 4.002 -30.362) 30.775 22.281 ( 9.122 -0.417 1.837) 9.314 22.518 ( -14.159 -3.290 5.736) 15.627 23.348 ( 6.706 -2.462 8.767) 11.309 23.489 ( -6.434 -1.698 8.291) 10.631 23.872 ( 3.570 -2.766 -5.258) 6.931 23.922 ( -1.611 -3.228 -2.994) 4.688 25.823 ( 3.269 -7.471 4.449) 9.290 25.874 ( -1.130 -7.369 3.563) 8.262 27.133 ( 15.586 -21.256 0.161) 26.359 27.426 ( -12.184 -23.587 -0.223) 26.549 28.235 ( 8.957 36.992 -16.392) 41.440 28.457 ( -11.043 28.277 -21.776) 37.360 29.210 ( 11.151 12.516 -3.592) 17.144 29.425 ( -9.454 10.153 -3.241) 14.247 32.397 ( 2.432 1.597 28.785) 28.932 32.447 ( -2.322 0.583 29.223) 29.321 34.196 ( 22.068 -10.404 31.337) 39.715 34.727 ( -29.180 -15.603 23.462) 40.563 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 0.000 27.438 43.124) 51.113 4.386 ( 0.000 34.982 44.392) 56.519 5.296 ( 0.000 6.355 2.924) 6.995 5.841 ( 0.000 30.179 24.518) 38.883 6.453 ( 0.000 2.656 21.410) 21.574 6.758 ( 0.000 26.857 51.395) 57.989 7.166 ( 0.000 -23.373 3.629) 23.653 7.171 ( 0.000 5.445 11.114) 12.376 7.269 ( 0.000 15.501 28.437) 32.387 7.432 ( 0.000 -10.601 3.827) 11.270 7.797 ( 0.000 3.888 -8.283) 9.151 7.904 ( 0.000 -2.197 -4.796) 5.276 8.470 ( 0.000 8.644 -11.592) 14.460 8.567 ( 0.000 -14.644 -6.879) 16.180 8.600 ( 0.000 3.028 -10.435) 10.865 8.880 ( 0.000 9.876 9.307) 13.570 9.200 ( 0.000 3.232 -9.295) 9.841 9.480 ( 0.000 1.092 -6.091) 6.188 9.799 ( 0.000 2.078 -15.918) 16.053 9.933 ( 0.000 6.524 14.194) 15.621 10.221 ( 0.000 14.118 -3.618) 14.574 10.304 ( 0.000 4.010 -19.780) 20.183 10.403 ( 0.000 1.415 -19.048) 19.100 10.729 ( 0.000 -10.374 -7.676) 12.905 10.852 ( 0.000 -11.508 -9.718) 15.063 11.071 ( 0.000 2.383 -3.476) 4.214 11.141 ( 0.000 8.710 -14.035) 16.517 11.410 ( 0.000 -13.092 -3.716) 13.609 11.653 ( 0.000 -1.565 -20.116) 20.177 11.853 ( 0.000 0.342 -18.389) 18.392 11.916 ( 0.000 0.033 -12.956) 12.956 11.982 ( 0.000 3.615 -1.668) 3.981 12.676 ( 0.000 4.918 -3.092) 5.809 12.817 ( 0.000 12.904 0.833) 12.931 13.117 ( 0.000 -20.385 -2.579) 20.547 13.329 ( 0.000 -8.931 -8.261) 12.166 13.558 ( 0.000 -16.837 -3.626) 17.223 13.729 ( 0.000 -10.031 -4.335) 10.927 14.023 ( 0.000 -7.950 -2.741) 8.409 14.188 ( 0.000 12.844 11.349) 17.140 14.446 ( 0.000 14.052 10.068) 17.286 14.574 ( 0.000 -1.277 0.319) 1.316 14.744 ( 0.000 13.226 0.623) 13.240 15.006 ( 0.000 2.776 -5.058) 5.770 15.339 ( 0.000 5.786 9.503) 11.126 15.342 ( 0.000 3.812 10.759) 11.414 16.035 ( 0.000 -5.171 1.328) 5.339 16.389 ( 0.000 -10.566 7.353) 12.873 16.478 ( 0.000 1.621 -0.104) 1.625 16.500 ( 0.000 2.569 -4.657) 5.318 17.154 ( 0.000 4.996 12.790) 13.732 17.175 ( 0.000 -17.649 15.770) 23.668 17.302 ( 0.000 5.118 9.095) 10.436 17.330 ( 0.000 3.917 5.198) 6.509 17.389 ( 0.000 2.517 14.672) 14.886 17.803 ( 0.000 -9.274 8.309) 12.451 18.390 ( 0.000 -12.981 7.487) 14.985 18.424 ( 0.000 1.474 2.354) 2.777 19.482 ( 0.000 -10.564 -21.202) 23.688 19.513 ( 0.000 -5.429 -21.823) 22.488 20.576 ( 0.000 3.273 -10.231) 10.741 20.619 ( 0.000 5.409 -8.642) 10.195 20.935 ( 0.000 1.068 -9.396) 9.457 21.025 ( 0.000 0.098 -6.678) 6.678 21.509 ( 0.000 10.404 -25.774) 27.795 21.638 ( 0.000 4.964 -29.546) 29.960 22.119 ( 0.000 0.675 -4.899) 4.945 22.729 ( 0.000 -18.987 -0.497) 18.994 23.124 ( 0.000 -3.149 8.454) 9.021 23.516 ( 0.000 -4.007 -1.858) 4.417 23.659 ( 0.000 3.050 8.867) 9.377 23.921 ( 0.000 0.809 -1.688) 1.872 25.658 ( 0.000 -3.345 0.742) 3.426 25.707 ( 0.000 -4.595 4.131) 6.179 26.454 ( 0.000 -17.146 9.239) 19.477 27.147 ( 0.000 -29.267 6.463) 29.972 28.924 ( 0.000 35.051 -11.802) 36.984 28.945 ( 0.000 20.074 -14.238) 24.611 29.427 ( 0.000 22.959 -21.872) 31.710 29.854 ( 0.000 12.449 -6.919) 14.243 32.437 ( 0.000 7.445 28.368) 29.328 32.501 ( 0.000 1.257 30.141) 30.167 33.560 ( 0.000 -12.091 34.172) 36.248 34.910 ( 0.000 -36.930 15.143) 39.913 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.851 ( 11.514 25.057 41.044) 49.447 4.507 ( 11.495 33.724 42.401) 55.383 5.087 ( -18.434 9.091 12.046) 23.824 5.643 ( -17.180 28.727 27.319) 43.205 6.570 ( 9.384 -2.484 12.309) 15.676 6.868 ( 9.954 26.473 49.058) 56.627 7.124 ( -2.920 -22.810 3.985) 23.339 7.179 ( 1.787 7.229 16.488) 18.092 7.422 ( 10.531 12.772 19.682) 25.718 7.531 ( 7.884 -9.771 3.264) 12.972 7.752 ( -2.740 4.275 -4.606) 6.856 7.913 ( 1.526 2.841 -8.459) 9.053 8.293 ( -12.846 0.953 -9.874) 16.230 8.563 ( 5.290 -0.051 -7.228) 8.957 8.729 ( 0.975 7.103 4.894) 8.680 8.851 ( -4.544 2.973 5.811) 7.953 9.119 ( -4.617 1.990 -6.848) 8.496 9.348 ( -12.361 3.065 -8.556) 15.342 9.755 ( -3.513 5.485 -2.141) 6.856 9.899 ( 1.775 2.798 -6.959) 7.708 10.201 ( -3.383 0.985 -12.321) 12.815 10.312 ( -1.457 0.782 -21.028) 21.093 10.485 ( 6.861 6.426 -11.827) 15.108 10.700 ( -0.822 -8.037 -5.999) 10.063 10.917 ( 3.760 -4.399 -10.571) 12.051 11.081 ( -2.538 6.310 -12.633) 14.347 11.131 ( 3.472 -0.962 -4.068) 5.434 11.414 ( -0.797 -8.861 -7.931) 11.918 11.686 ( 3.076 -0.107 -9.137) 9.642 11.883 ( 2.785 -3.637 -21.894) 22.368 11.911 ( -0.105 2.666 -11.650) 11.952 12.015 ( 2.557 2.965 -6.407) 7.508 12.710 ( 3.027 4.825 -2.833) 6.361 12.823 ( 0.428 11.160 0.172) 11.169 13.147 ( 3.452 -18.130 -2.672) 18.648 13.396 ( 5.262 -9.865 -5.051) 12.268 13.529 ( -2.755 -17.793 -5.624) 18.863 13.716 ( -1.789 -10.999 -6.591) 12.946 13.973 ( -3.297 -8.319 -0.165) 8.950 14.188 ( -0.684 8.291 11.157) 13.917 14.414 ( -2.360 14.351 6.226) 15.820 14.515 ( -4.387 4.962 2.496) 7.078 14.797 ( 4.081 9.513 1.242) 10.426 15.002 ( -0.815 4.255 -4.371) 6.154 15.305 ( -0.226 7.544 10.590) 13.005 15.389 ( 1.604 3.485 7.777) 8.672 16.057 ( 2.227 -3.816 1.355) 4.622 16.382 ( -1.633 -6.029 3.368) 7.096 16.431 ( -4.766 4.323 -3.118) 7.150 16.467 ( -1.394 -6.186 5.796) 8.591 17.120 ( -1.472 -5.237 12.678) 13.796 17.171 ( -0.465 -5.241 13.915) 14.876 17.299 ( -1.137 6.225 7.572) 9.868 17.317 ( 0.598 4.882 9.057) 10.306 17.523 ( 9.650 -1.606 11.796) 15.324 17.809 ( 0.400 -9.387 8.130) 12.425 18.376 ( -1.066 -11.351 7.488) 13.640 18.421 ( -0.605 0.535 3.779) 3.865 19.429 ( -3.626 -10.028 -18.742) 21.564 19.492 ( -2.625 -7.490 -22.507) 23.865 20.598 ( 1.894 4.187 -10.941) 11.867 20.628 ( 0.751 5.893 -9.591) 11.281 20.926 ( -0.670 0.440 -8.941) 8.976 21.001 ( -2.175 -0.180 -6.932) 7.267 21.523 ( 1.306 9.606 -26.435) 28.157 21.632 ( -0.725 5.389 -29.199) 29.701 22.155 ( 3.576 0.195 -4.269) 5.572 22.609 ( -9.512 -14.308 -0.521) 17.189 23.176 ( 5.081 -1.502 8.654) 10.147 23.590 ( -1.132 -0.021 6.031) 6.136 23.652 ( 5.367 -3.078 0.424) 6.202 23.915 ( -0.695 0.350 -2.003) 2.148 25.654 ( 0.522 -4.147 2.873) 5.072 25.735 ( 1.319 -5.464 3.412) 6.576 26.519 ( 6.505 -18.556 7.756) 21.137 27.092 ( -5.453 -28.567 6.152) 29.727 28.882 ( 0.185 31.421 -15.031) 34.832 29.049 ( 4.552 26.167 -16.398) 31.214 29.412 ( -0.196 20.360 -17.060) 26.563 29.802 ( -5.048 12.464 -6.724) 15.035 32.442 ( 0.559 6.774 28.518) 29.317 32.495 ( -0.522 1.773 30.027) 30.084 33.650 ( 8.922 -13.383 33.480) 37.143 34.729 ( -16.494 -32.842 19.001) 41.372 ======================= Grid point 147 (54/105) ======================= q-point: ( 0.40 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 20.485 19.682 34.905) 45.004 4.641 ( -23.838 13.985 25.154) 37.370 4.823 ( 18.903 30.991 37.588) 52.255 5.239 ( -21.338 28.598 32.099) 47.995 6.766 ( 9.616 -7.633 9.597) 15.584 6.945 ( -6.724 -5.586 16.397) 18.582 7.187 ( 10.485 4.619 26.489) 28.861 7.249 ( 3.530 3.139 16.573) 17.233 7.537 ( -0.814 -1.383 -7.904) 8.066 7.586 ( -1.750 10.613 7.308) 13.004 7.831 ( 7.789 3.700 0.822) 8.662 7.938 ( -0.996 4.298 -4.134) 6.046 8.181 ( 6.163 9.358 5.017) 12.277 8.484 ( -19.569 20.868 18.555) 34.098 8.650 ( 5.818 1.124 -0.641) 5.960 8.821 ( -4.584 -4.919 7.997) 10.448 9.063 ( -2.087 1.432 -12.848) 13.095 9.121 ( -4.366 0.694 -12.301) 13.071 9.783 ( 4.549 3.009 -6.466) 8.459 9.884 ( -4.098 2.926 -7.788) 9.275 10.164 ( 1.405 -5.056 -20.788) 21.440 10.239 ( -4.769 -3.869 -22.982) 23.788 10.613 ( 5.296 3.094 -6.072) 8.631 10.686 ( -1.699 -1.729 -3.548) 4.297 10.973 ( 2.060 2.678 -14.805) 15.186 11.017 ( -2.678 5.096 -16.481) 17.457 11.243 ( 6.187 -4.918 -2.693) 8.350 11.357 ( -4.649 -5.972 -7.407) 10.589 11.766 ( 4.550 1.656 -3.680) 6.081 11.854 ( -3.649 1.463 -6.613) 7.694 11.994 ( 4.875 -1.391 -22.492) 23.056 12.048 ( -0.176 0.928 -15.285) 15.314 12.778 ( 3.206 5.261 -1.953) 6.463 12.822 ( -0.934 7.657 -0.929) 7.769 13.262 ( 7.541 -16.776 -2.946) 18.627 13.414 ( -6.049 -14.127 0.142) 15.368 13.523 ( 4.380 -13.662 -7.960) 16.407 13.631 ( -5.893 -10.689 -6.253) 13.714 13.984 ( 5.037 -9.335 0.944) 10.649 14.118 ( -6.342 -4.646 5.306) 9.485 14.394 ( 0.880 16.302 4.709) 16.991 14.437 ( -3.068 13.566 5.587) 14.988 14.882 ( 4.130 7.454 1.013) 8.582 14.960 ( -3.283 6.304 -1.449) 7.254 15.338 ( 2.981 7.947 7.909) 11.602 15.391 ( -1.518 5.418 6.262) 8.419 16.128 ( 4.964 -0.175 1.120) 5.092 16.258 ( -7.599 4.267 -1.083) 8.782 16.409 ( 0.754 -9.171 6.579) 11.312 16.435 ( -1.615 -7.515 5.425) 9.408 17.118 ( 1.044 -3.304 12.039) 12.527 17.149 ( -1.648 -2.479 12.949) 13.287 17.297 ( 0.800 4.495 8.010) 9.220 17.316 ( -0.699 4.019 8.689) 9.599 17.707 ( 7.422 -4.611 9.803) 13.132 17.800 ( -1.915 -8.251 8.268) 11.837 18.364 ( 0.358 -7.390 7.716) 10.689 18.393 ( -1.970 -2.054 6.550) 7.142 19.383 ( -0.176 -10.450 -18.462) 21.214 19.422 ( -3.462 -9.414 -20.681) 22.985 20.635 ( 1.299 6.010 -12.000) 13.484 20.643 ( 0.425 6.687 -11.366) 13.194 20.921 ( 0.510 -0.791 -7.877) 7.933 20.952 ( -2.327 -0.835 -7.224) 7.635 21.559 ( 2.182 7.967 -27.596) 28.806 21.604 ( -1.991 6.438 -28.506) 29.292 22.259 ( 6.524 -2.065 -2.923) 7.441 22.416 ( -8.898 -7.077 -1.440) 11.460 23.314 ( 8.022 -0.124 9.029) 12.078 23.477 ( -7.525 1.160 9.197) 11.939 23.798 ( 6.130 -3.945 -3.053) 7.904 23.885 ( -2.610 -1.261 -2.659) 3.934 25.685 ( 2.325 -5.550 4.308) 7.400 25.731 ( -1.648 -6.247 4.312) 7.767 26.707 ( 11.233 -22.305 5.605) 25.595 26.932 ( -10.108 -26.176 5.454) 28.585 28.939 ( 5.039 32.152 -19.353) 37.864 29.049 ( -4.382 30.709 -22.252) 38.176 29.487 ( 7.534 14.441 -7.825) 18.071 29.661 ( -8.498 12.748 -6.419) 16.611 32.458 ( 0.999 5.109 28.991) 29.455 32.480 ( -0.997 3.200 29.611) 29.800 33.917 ( 17.253 -17.487 31.075) 39.613 34.322 ( -21.715 -24.552 26.074) 41.883 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.358 ( 0.000 35.800 35.126) 50.154 5.058 ( 0.000 33.261 37.282) 49.963 5.471 ( 0.000 11.539 7.628) 13.832 6.247 ( 0.000 -0.696 8.607) 8.635 6.489 ( 0.000 12.722 27.007) 29.854 6.603 ( 0.000 -32.826 12.565) 35.149 6.968 ( 0.000 -26.103 11.599) 28.564 7.140 ( 0.000 9.044 4.605) 10.149 7.559 ( 0.000 25.506 17.367) 30.857 7.707 ( 0.000 5.140 18.310) 19.018 7.890 ( 0.000 30.932 31.572) 44.199 8.013 ( 0.000 7.670 -7.255) 10.558 8.310 ( 0.000 -9.283 -5.562) 10.822 8.527 ( 0.000 -0.014 -3.874) 3.874 8.837 ( 0.000 14.133 -10.331) 17.506 9.021 ( 0.000 5.240 0.490) 5.262 9.293 ( 0.000 6.167 -11.751) 13.271 9.575 ( 0.000 8.434 -10.624) 13.565 9.797 ( 0.000 -3.057 -16.378) 16.661 10.078 ( 0.000 5.636 16.232) 17.183 10.269 ( 0.000 -8.204 -6.643) 10.556 10.405 ( 0.000 1.731 -9.408) 9.566 10.407 ( 0.000 -2.877 -16.207) 16.460 10.511 ( 0.000 -18.946 -1.462) 19.003 10.547 ( 0.000 -2.464 -8.975) 9.307 11.144 ( 0.000 -9.209 -6.655) 11.362 11.251 ( 0.000 8.328 -7.584) 11.264 11.305 ( 0.000 7.366 -16.195) 17.792 11.660 ( 0.000 2.724 -22.962) 23.123 11.903 ( 0.000 5.014 -13.515) 14.416 11.939 ( 0.000 3.230 -13.543) 13.923 12.078 ( 0.000 5.017 -3.040) 5.867 12.603 ( 0.000 -24.978 -15.325) 29.305 12.723 ( 0.000 -0.911 -3.421) 3.540 13.085 ( 0.000 -15.045 -24.724) 28.942 13.114 ( 0.000 11.056 8.409) 13.890 13.354 ( 0.000 -2.734 7.601) 8.078 13.546 ( 0.000 -7.996 -8.707) 11.822 13.802 ( 0.000 -13.006 4.814) 13.868 14.155 ( 0.000 -14.003 7.066) 15.685 14.744 ( 0.000 18.160 4.805) 18.785 14.789 ( 0.000 19.243 5.900) 20.127 15.030 ( 0.000 15.416 4.039) 15.937 15.103 ( 0.000 6.931 2.927) 7.524 15.452 ( 0.000 5.227 11.616) 12.738 15.479 ( 0.000 7.509 13.329) 15.298 15.915 ( 0.000 -7.766 1.639) 7.937 16.190 ( 0.000 -8.012 6.661) 10.419 16.279 ( 0.000 -16.008 4.834) 16.722 16.646 ( 0.000 5.132 -9.482) 10.781 16.750 ( 0.000 -21.938 14.333) 26.205 17.119 ( 0.000 -9.390 10.153) 13.830 17.324 ( 0.000 2.518 11.419) 11.693 17.395 ( 0.000 2.398 7.229) 7.616 17.531 ( 0.000 6.145 14.740) 15.970 17.623 ( 0.000 -7.062 14.604) 16.222 18.263 ( 0.000 1.429 3.252) 3.552 18.525 ( 0.000 5.884 -5.780) 8.248 19.297 ( 0.000 -7.816 -11.116) 13.588 19.397 ( 0.000 -6.321 -20.542) 21.493 20.629 ( 0.000 2.486 -11.914) 12.170 20.703 ( 0.000 2.721 -10.536) 10.882 20.966 ( 0.000 1.846 -17.828) 17.923 21.019 ( 0.000 -0.537 -13.790) 13.801 21.722 ( 0.000 10.519 -22.237) 24.600 21.744 ( 0.000 5.679 -27.521) 28.101 22.131 ( 0.000 0.468 -7.641) 7.655 22.379 ( 0.000 -14.765 -7.164) 16.411 23.145 ( 0.000 3.014 6.816) 7.453 23.422 ( 0.000 -5.370 0.001) 5.370 23.739 ( 0.000 4.941 8.664) 9.974 23.936 ( 0.000 0.185 -1.696) 1.706 25.638 ( 0.000 1.905 3.337) 3.843 25.638 ( 0.000 -1.787 4.051) 4.428 26.123 ( 0.000 -15.889 9.977) 18.762 26.583 ( 0.000 -27.382 11.279) 29.614 29.309 ( 0.000 16.033 -13.539) 20.985 29.411 ( 0.000 15.423 -8.958) 17.836 29.865 ( 0.000 20.113 -26.667) 33.402 30.076 ( 0.000 9.462 -11.187) 14.652 32.566 ( 0.000 5.861 30.746) 31.299 32.647 ( 0.000 14.489 28.345) 31.833 33.292 ( 0.000 -14.848 32.420) 35.658 34.185 ( 0.000 -35.985 22.732) 42.564 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( 7.311 33.606 33.984) 48.350 5.153 ( 8.580 31.426 35.339) 48.063 5.324 ( -12.578 15.715 13.896) 24.459 6.157 ( -13.879 20.183 19.562) 31.348 6.388 ( -1.253 -11.576 14.277) 18.423 6.576 ( -2.301 -31.628 13.174) 34.339 7.018 ( 4.307 -23.773 9.794) 26.070 7.256 ( 5.297 -0.878 6.241) 8.232 7.560 ( 2.031 27.001 16.882) 31.909 7.755 ( 5.296 2.857 7.949) 9.970 7.980 ( 4.453 28.914 33.784) 44.690 8.055 ( 4.473 10.432 -7.018) 13.345 8.224 ( -3.382 -2.825 -5.530) 7.071 8.611 ( 5.424 3.554 -1.021) 6.564 8.852 ( 1.817 10.647 -6.480) 12.596 9.028 ( 0.308 6.421 -1.983) 6.728 9.274 ( -4.290 13.054 -2.748) 14.013 9.432 ( -10.416 5.509 -13.043) 17.577 9.795 ( -1.877 -1.758 -12.129) 12.398 9.975 ( -5.267 4.759 8.056) 10.737 10.210 ( -9.436 -5.321 -15.808) 19.163 10.218 ( -6.111 -4.449 -15.485) 17.231 10.475 ( 2.508 -14.395 1.738) 14.715 10.533 ( 4.568 -7.119 -5.953) 10.343 10.764 ( 11.833 -2.684 -6.379) 13.708 11.149 ( -0.501 -3.101 -11.752) 12.164 11.237 ( -0.366 8.129 -6.633) 10.498 11.318 ( -0.153 0.828 -13.350) 13.377 11.701 ( 4.527 2.799 -19.489) 20.203 11.889 ( -0.707 4.914 -15.408) 16.188 11.964 ( 2.336 2.687 -13.617) 14.075 12.102 ( 1.003 5.155 -3.513) 6.318 12.651 ( 4.658 -21.380 -15.520) 26.827 12.764 ( 3.471 -1.616 -6.214) 7.299 13.089 ( -0.642 -7.084 -14.371) 16.035 13.106 ( -0.221 -3.238 -1.081) 3.420 13.338 ( -1.040 -1.696 6.608) 6.901 13.520 ( -2.536 -8.075 -8.210) 11.792 13.773 ( -1.789 -11.234 6.165) 12.939 14.086 ( -6.461 -14.026 5.914) 16.536 14.742 ( 0.309 19.677 5.668) 20.479 14.797 ( 0.205 19.289 6.144) 20.245 15.035 ( 1.133 13.368 4.503) 14.152 15.136 ( 1.811 9.245 3.077) 9.911 15.445 ( -0.093 4.805 11.502) 12.465 15.489 ( 0.729 6.130 11.770) 13.291 15.957 ( 4.019 -7.517 2.030) 8.762 16.202 ( 1.225 -7.193 5.927) 9.401 16.252 ( -2.569 -15.252 5.219) 16.323 16.558 ( -8.272 3.941 -5.027) 10.451 16.777 ( 3.441 -19.628 10.679) 22.608 17.092 ( -2.976 -10.399 9.334) 14.287 17.344 ( 1.734 2.983 10.204) 10.772 17.441 ( 2.712 2.558 8.641) 9.410 17.538 ( 1.421 3.149 14.814) 15.212 17.626 ( 0.280 -6.963 14.200) 15.817 18.287 ( 2.551 3.332 3.281) 5.326 18.528 ( -0.235 7.315 -4.765) 8.734 19.231 ( -5.134 -9.395 -9.526) 14.331 19.343 ( -4.982 -7.869 -19.194) 21.334 20.666 ( 3.243 2.956 -13.464) 14.161 20.725 ( 1.908 3.481 -12.138) 12.771 20.945 ( -1.854 1.292 -17.264) 17.412 20.994 ( -2.295 -0.340 -13.948) 14.139 21.721 ( 0.054 9.683 -24.203) 26.069 21.749 ( 0.176 6.732 -25.219) 26.103 22.148 ( 1.563 -1.280 -8.309) 8.551 22.336 ( -3.662 -12.476 -8.040) 15.288 23.202 ( 5.623 3.377 7.427) 9.909 23.525 ( 8.478 -5.137 0.524) 9.927 23.689 ( -4.630 4.790 8.477) 10.781 23.919 ( -1.868 -0.518 -1.456) 2.425 25.617 ( -0.235 0.395 4.117) 4.143 25.667 ( 0.771 -0.382 4.620) 4.699 26.162 ( 3.995 -17.241 8.991) 19.851 26.545 ( -3.788 -26.527 10.548) 28.798 29.343 ( 3.564 17.876 -14.978) 23.592 29.477 ( 5.818 14.752 -9.627) 18.552 29.812 ( -4.806 19.180 -24.796) 31.715 30.023 ( -5.131 9.339 -10.787) 15.162 32.573 ( 0.618 6.558 30.471) 31.175 32.638 ( -0.908 13.547 28.543) 31.608 33.356 ( 6.304 -16.186 31.963) 36.377 34.075 ( -10.263 -33.027 24.383) 42.316 ======================= Grid point 152 (57/105) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 14.268 27.924 30.020) 43.411 4.983 ( -17.486 20.723 22.944) 35.520 5.430 ( 16.025 30.829 32.146) 47.335 5.793 ( -19.174 27.813 27.691) 43.681 6.428 ( 3.663 -23.665 10.734) 26.242 6.513 ( -4.059 -28.832 13.141) 31.945 7.125 ( 6.126 -18.821 6.293) 20.769 7.246 ( -4.835 -14.022 4.040) 15.373 7.675 ( 8.797 21.798 13.509) 27.111 7.864 ( -5.648 11.927 3.949) 13.775 7.952 ( 5.572 7.865 8.527) 12.870 8.084 ( -3.489 8.808 -3.515) 10.105 8.390 ( 15.808 14.275 9.659) 23.388 8.660 ( -5.306 8.921 2.012) 10.573 8.905 ( 4.406 19.099 8.483) 21.357 9.031 ( 2.298 12.638 4.650) 13.661 9.142 ( -8.007 14.219 -0.473) 16.325 9.196 ( -10.122 5.523 -13.439) 17.708 9.806 ( 4.354 -1.237 -9.328) 10.368 9.917 ( -3.727 -0.059 -9.035) 9.773 10.042 ( -3.330 -7.407 -15.451) 17.455 10.096 ( -5.828 -8.644 -19.972) 22.530 10.543 ( 3.414 -12.344 3.512) 13.280 10.584 ( 0.030 -9.543 0.474) 9.555 10.976 ( 8.839 0.292 -10.461) 13.699 11.106 ( -3.903 4.063 -15.029) 16.050 11.243 ( 0.828 2.677 -6.751) 7.309 11.280 ( -2.737 -2.475 -9.097) 9.817 11.820 ( 5.490 3.243 -12.945) 14.430 11.881 ( -0.826 3.317 -15.118) 15.499 12.021 ( 3.271 3.281 -14.377) 15.105 12.087 ( -2.509 3.484 -9.440) 10.370 12.769 ( 5.884 -13.227 -14.845) 20.735 12.824 ( 1.143 -3.371 -12.443) 12.942 13.059 ( -1.180 -2.765 -1.103) 3.202 13.080 ( -2.723 -17.339 -8.616) 19.552 13.356 ( 3.374 -2.409 2.013) 4.609 13.445 ( -4.596 -6.317 -3.427) 8.531 13.786 ( 3.944 -10.580 5.154) 12.412 13.923 ( -8.601 -12.818 4.268) 16.015 14.761 ( 1.374 20.510 6.606) 21.591 14.788 ( -1.057 20.211 6.608) 21.290 15.079 ( 2.964 11.937 5.130) 13.327 15.135 ( -1.925 11.175 4.302) 12.128 15.466 ( 1.873 3.959 10.238) 11.135 15.494 ( -0.519 4.649 9.813) 10.871 16.065 ( 6.160 -9.010 3.371) 11.423 16.178 ( -4.575 -13.723 5.364) 15.428 16.248 ( 3.655 -3.448 3.298) 6.010 16.373 ( -8.590 1.934 -1.011) 8.863 16.878 ( 6.026 -16.569 8.537) 19.589 17.001 ( -5.688 -13.343 8.527) 16.826 17.390 ( 2.709 4.447 10.229) 11.478 17.442 ( -1.976 5.297 10.412) 11.848 17.597 ( 2.930 -4.343 13.430) 14.415 17.629 ( -0.379 -6.440 13.444) 14.912 18.373 ( 5.743 7.387 2.570) 9.703 18.486 ( -4.342 9.458 -0.901) 10.446 19.162 ( -0.289 -12.059 -10.633) 16.080 19.225 ( -5.633 -10.779 -15.262) 19.516 20.738 ( 3.157 4.411 -16.276) 17.156 20.763 ( 1.032 5.205 -15.552) 16.433 20.910 ( -0.761 -0.434 -15.115) 15.141 20.937 ( -2.877 -0.575 -13.770) 14.079 21.728 ( 0.678 8.892 -24.649) 26.213 21.744 ( -0.669 7.908 -24.298) 25.561 22.192 ( 2.775 -4.923 -9.271) 10.857 22.258 ( -3.678 -8.620 -9.193) 13.128 23.358 ( 9.171 4.527 8.535) 13.321 23.542 ( -8.209 5.227 9.050) 13.290 23.719 ( 8.150 -4.534 -0.138) 9.327 23.853 ( -4.862 -2.405 -0.824) 5.486 25.629 ( 1.358 0.174 5.151) 5.330 25.660 ( -1.308 -0.284 5.613) 5.770 26.282 ( 7.411 -20.566 8.005) 23.280 26.434 ( -6.954 -24.098 8.937) 26.626 29.453 ( 6.876 20.532 -18.367) 28.394 29.569 ( -1.154 20.331 -17.501) 26.851 29.741 ( 2.188 11.392 -14.077) 18.241 29.882 ( -8.267 9.089 -9.980) 15.829 32.590 ( 1.081 8.523 29.816) 31.029 32.614 ( -1.271 11.196 29.090) 31.196 33.542 ( 11.862 -20.206 30.454) 38.424 33.814 ( -14.246 -26.483 27.715) 40.895 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( 0.000 38.856 27.445) 47.571 5.646 ( 0.000 21.992 23.021) 31.837 5.716 ( 0.000 3.490 15.647) 16.032 5.974 ( 0.000 -16.099 21.269) 26.675 6.012 ( 0.000 -16.149 10.767) 19.409 6.399 ( 0.000 -30.576 19.889) 36.476 6.839 ( 0.000 17.688 17.692) 25.018 7.124 ( 0.000 -9.837 4.395) 10.775 7.741 ( 0.000 6.588 7.311) 9.841 7.932 ( 0.000 -10.240 -3.383) 10.785 8.078 ( 0.000 20.117 4.509) 20.616 8.320 ( 0.000 -3.804 -10.101) 10.794 8.421 ( 0.000 17.360 3.028) 17.622 8.744 ( 0.000 -4.356 14.207) 14.860 8.936 ( 0.000 33.766 34.315) 48.143 9.293 ( 0.000 16.660 -20.221) 26.200 9.428 ( 0.000 5.836 -15.499) 16.562 9.643 ( 0.000 -15.113 -11.144) 18.777 9.685 ( 0.000 -2.080 -5.648) 6.018 9.797 ( 0.000 -32.115 24.254) 40.245 10.103 ( 0.000 4.096 -8.693) 9.610 10.255 ( 0.000 -7.709 -14.947) 16.818 10.383 ( 0.000 0.766 -3.052) 3.146 10.411 ( 0.000 -2.350 -6.799) 7.194 10.683 ( 0.000 12.511 -7.443) 14.558 10.932 ( 0.000 -11.855 -9.191) 15.001 11.398 ( 0.000 4.058 -10.025) 10.815 11.408 ( 0.000 2.743 -15.048) 15.296 11.779 ( 0.000 10.253 -23.189) 25.355 11.992 ( 0.000 2.331 -15.438) 15.613 12.053 ( 0.000 -3.892 -14.389) 14.906 12.109 ( 0.000 -2.831 -12.283) 12.605 12.240 ( 0.000 3.031 -15.827) 16.114 12.548 ( 0.000 -17.368 -6.085) 18.403 12.972 ( 0.000 6.475 -15.723) 17.004 13.171 ( 0.000 -8.412 -4.896) 9.733 13.393 ( 0.000 5.260 6.774) 8.576 13.499 ( 0.000 0.088 3.667) 3.669 13.605 ( 0.000 -0.040 4.934) 4.934 13.841 ( 0.000 -16.258 5.691) 17.226 15.091 ( 0.000 13.543 8.026) 15.743 15.129 ( 0.000 11.600 9.400) 14.931 15.259 ( 0.000 8.688 4.995) 10.022 15.282 ( 0.000 8.390 4.532) 9.536 15.560 ( 0.000 8.394 6.850) 10.834 15.575 ( 0.000 2.064 14.049) 14.200 15.699 ( 0.000 -12.655 7.210) 14.565 15.875 ( 0.000 -22.276 2.205) 22.385 16.172 ( 0.000 6.485 7.603) 9.993 16.392 ( 0.000 -14.876 12.188) 19.231 16.730 ( 0.000 5.021 -2.867) 5.782 16.892 ( 0.000 -11.391 4.969) 12.428 17.383 ( 0.000 2.764 11.573) 11.898 17.416 ( 0.000 -0.383 9.824) 9.831 17.561 ( 0.000 0.171 12.726) 12.727 17.580 ( 0.000 -0.384 12.371) 12.377 18.403 ( 0.000 10.188 0.499) 10.200 18.560 ( 0.000 -3.741 -4.657) 5.973 19.211 ( 0.000 -0.132 -11.080) 11.081 19.276 ( 0.000 -5.596 -17.122) 18.014 20.679 ( 0.000 2.542 -12.293) 12.553 20.718 ( 0.000 -1.029 -11.514) 11.560 20.997 ( 0.000 1.155 -20.911) 20.943 21.011 ( 0.000 -0.393 -19.271) 19.275 21.850 ( 0.000 4.699 -22.303) 22.793 21.875 ( 0.000 3.704 -19.255) 19.608 22.132 ( 0.000 -0.243 -12.850) 12.852 22.171 ( 0.000 -6.123 -13.854) 15.147 23.218 ( 0.000 4.340 4.846) 6.505 23.314 ( 0.000 -5.453 2.423) 5.967 23.839 ( 0.000 4.887 5.561) 7.404 23.914 ( 0.000 -2.578 0.986) 2.760 25.657 ( 0.000 3.928 4.780) 6.186 25.725 ( 0.000 3.404 4.348) 5.522 25.889 ( 0.000 -3.624 12.064) 12.596 26.112 ( 0.000 -20.039 12.813) 23.785 29.541 ( 0.000 7.245 -12.067) 14.075 29.583 ( 0.000 3.038 -10.169) 10.613 30.146 ( 0.000 8.211 -22.323) 23.785 30.198 ( 0.000 2.389 -16.309) 16.483 32.735 ( 0.000 11.337 31.059) 33.063 32.976 ( 0.000 -1.350 32.729) 32.757 33.033 ( 0.000 9.396 26.129) 27.767 33.534 ( 0.000 -30.277 25.931) 39.864 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.130 ( 3.522 37.085 27.023) 46.021 5.616 ( -6.450 18.586 15.683) 25.160 5.746 ( 6.175 4.401 23.578) 24.767 5.943 ( -1.093 -9.939 19.276) 21.715 6.011 ( -0.993 -18.479 15.697) 24.266 6.463 ( 6.044 -30.790 18.227) 36.288 6.658 ( -14.700 21.800 17.820) 31.763 7.050 ( -7.719 -17.193 6.946) 20.086 7.826 ( 7.147 6.013 5.227) 10.703 7.964 ( 2.392 -6.538 -3.415) 7.754 8.072 ( -0.688 17.695 4.005) 18.156 8.277 ( -3.854 -1.711 -5.567) 6.983 8.515 ( 9.188 18.488 1.874) 20.731 8.835 ( 6.899 -10.890 4.165) 13.548 9.025 ( 9.501 39.368 31.898) 51.552 9.277 ( -2.704 15.205 -15.149) 21.633 9.460 ( 1.145 2.573 -13.579) 13.868 9.509 ( -8.192 -0.000 -9.133) 12.269 9.699 ( -0.170 -7.167 -10.507) 12.719 9.850 ( 3.698 -31.076 22.161) 38.347 10.024 ( -5.322 3.009 -7.845) 9.946 10.153 ( -9.004 -7.143 -16.914) 20.449 10.274 ( -7.869 3.731 1.453) 8.829 10.394 ( -1.404 -7.016 1.219) 7.258 10.836 ( 10.625 7.635 -9.770) 16.329 11.010 ( 6.713 -9.091 -10.615) 15.504 11.352 ( -4.103 3.321 -12.562) 13.626 11.368 ( -3.856 1.665 -11.790) 12.516 11.824 ( 4.029 10.045 -23.256) 25.651 12.011 ( 1.651 0.762 -15.845) 15.949 12.032 ( -1.786 4.657 -14.820) 15.637 12.104 ( 0.608 -7.819 -13.269) 15.414 12.360 ( 9.538 1.086 -14.543) 17.426 12.602 ( 5.281 -16.256 -7.402) 18.627 12.924 ( -4.665 4.586 -16.038) 17.321 13.102 ( -6.373 -8.836 -6.064) 12.468 13.397 ( 0.400 5.911 7.181) 9.310 13.492 ( -0.706 2.783 3.113) 4.235 13.588 ( -1.348 -3.111 5.766) 6.689 13.788 ( -4.859 -15.060 5.180) 16.650 15.109 ( 1.577 14.742 8.357) 17.020 15.141 ( 1.110 12.370 9.145) 15.424 15.280 ( 0.791 10.822 4.693) 11.822 15.309 ( 2.905 5.509 5.880) 8.565 15.499 ( -2.662 3.071 10.592) 11.345 15.596 ( -0.307 5.649 10.029) 11.515 15.726 ( 2.499 -14.049 7.343) 16.048 15.875 ( -0.464 -20.180 2.946) 20.399 16.205 ( 3.302 6.871 6.201) 9.827 16.424 ( 3.137 -14.413 11.119) 18.472 16.652 ( -6.808 5.618 -2.377) 9.141 16.838 ( -5.144 -12.905 4.840) 14.712 17.409 ( 2.367 3.169 11.577) 12.234 17.452 ( 2.969 -0.904 10.367) 10.821 17.560 ( -0.332 0.142 12.702) 12.707 17.577 ( -0.357 -0.440 12.128) 12.142 18.449 ( 4.602 10.743 0.161) 11.688 18.601 ( 3.940 -2.198 -5.229) 6.907 19.113 ( -8.792 -0.928 -8.399) 12.194 19.192 ( -7.736 -7.154 -14.948) 18.288 20.719 ( 3.612 2.452 -14.311) 14.962 20.752 ( 3.109 -0.541 -13.482) 13.846 20.971 ( -2.418 1.253 -20.638) 20.817 20.988 ( -2.204 -0.472 -19.274) 19.405 21.861 ( 1.096 5.648 -21.878) 22.622 21.891 ( 1.331 4.702 -19.188) 19.801 22.103 ( -2.356 -2.309 -13.758) 14.148 22.146 ( -2.231 -6.452 -14.389) 15.926 23.293 ( 7.133 5.714 5.500) 10.667 23.413 ( 8.582 -6.216 2.928) 10.994 23.795 ( -4.341 5.409 5.876) 9.090 23.883 ( -3.208 -3.289 1.476) 4.826 25.667 ( 1.069 5.163 5.198) 7.404 25.744 ( 1.266 5.416 5.546) 7.854 25.887 ( 0.336 -7.453 10.585) 12.950 26.087 ( -2.441 -19.554 11.812) 22.975 29.594 ( 5.166 7.735 -13.038) 16.016 29.642 ( 5.635 2.819 -10.605) 12.336 30.087 ( -5.680 8.235 -21.295) 23.528 30.141 ( -5.446 2.191 -15.625) 16.692 32.757 ( 2.110 12.207 30.699) 33.104 32.972 ( -1.949 17.328 29.648) 34.396 33.045 ( 2.918 -11.703 29.184) 31.578 33.471 ( -5.935 -28.345 26.680) 39.377 ======================= Grid point 157 (60/105) ======================= q-point: ( 0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.245 ( 7.840 32.117 24.861) 41.365 5.434 ( -10.182 24.997 20.288) 33.766 5.871 ( 4.126 -28.093 19.879) 34.661 5.944 ( -2.888 -25.956 16.437) 30.858 6.046 ( 10.352 26.104 23.450) 36.586 6.334 ( -16.159 27.035 20.182) 37.407 6.629 ( 9.942 -29.197 14.666) 34.153 6.848 ( -11.186 -24.734 10.526) 29.115 7.970 ( 5.468 6.182 0.843) 8.296 8.020 ( 2.491 1.283 2.285) 3.615 8.052 ( 0.371 8.075 -3.529) 8.820 8.168 ( -6.693 -1.692 -1.463) 7.057 8.768 ( 14.666 20.452 1.699) 25.224 8.983 ( 3.474 8.301 -1.496) 9.122 9.112 ( -4.965 7.995 -2.374) 9.705 9.239 ( -5.088 4.253 -8.674) 10.918 9.357 ( 6.897 19.065 13.191) 24.188 9.513 ( -1.215 13.809 -3.348) 14.261 9.710 ( 1.744 -7.877 -8.114) 11.442 9.819 ( -6.832 -14.189 -4.598) 16.406 9.953 ( -1.352 4.331 -6.683) 8.077 10.016 ( -4.197 1.207 -6.253) 7.627 10.191 ( 2.806 -16.962 7.928) 18.932 10.313 ( -6.255 -16.745 8.552) 19.815 11.045 ( 9.656 5.832 -10.862) 15.660 11.149 ( 5.428 -2.549 -11.650) 13.103 11.235 ( -6.436 1.381 -11.261) 13.044 11.278 ( -4.867 -0.920 -10.620) 11.718 11.918 ( 4.515 7.816 -21.496) 23.314 11.988 ( -2.424 6.256 -17.295) 18.551 12.060 ( 2.486 -1.748 -16.131) 16.415 12.101 ( -1.230 -4.877 -14.020) 14.895 12.578 ( 11.194 0.176 -14.298) 18.159 12.749 ( 8.452 -12.151 -8.298) 16.969 12.787 ( -8.437 0.286 -16.130) 18.205 12.938 ( -9.187 -10.248 -8.253) 16.048 13.417 ( 1.747 6.706 6.253) 9.334 13.462 ( -2.305 7.102 3.703) 8.334 13.586 ( 2.040 -9.318 6.075) 11.309 13.671 ( -5.797 -12.248 4.919) 14.416 15.145 ( 1.684 16.590 8.456) 18.696 15.161 ( 0.341 15.621 8.501) 17.787 15.296 ( 1.154 6.474 7.244) 9.784 15.330 ( -1.483 4.260 7.204) 8.500 15.506 ( 3.356 4.362 9.917) 11.342 15.572 ( -2.197 6.012 8.994) 11.039 15.782 ( 2.960 -17.263 6.866) 18.813 15.843 ( -2.686 -18.283 4.895) 19.116 16.307 ( 6.681 8.156 2.955) 10.950 16.455 ( -5.946 5.719 2.743) 8.694 16.558 ( 4.076 -13.215 4.902) 14.672 16.701 ( -7.793 -15.063 5.497) 17.828 17.467 ( 3.013 3.545 11.686) 12.578 17.504 ( 0.813 1.417 10.981) 11.102 17.545 ( -0.228 -1.484 12.543) 12.633 17.565 ( -0.970 -1.752 11.813) 11.981 18.584 ( 8.177 12.463 -1.358) 14.968 18.687 ( 1.825 7.983 -5.724) 9.991 18.931 ( -5.466 -9.247 -5.366) 12.007 19.006 ( -9.179 -11.169 -10.363) 17.787 20.806 ( 4.506 2.591 -17.818) 18.561 20.828 ( 3.795 0.971 -16.987) 17.432 20.907 ( -3.457 0.528 -19.544) 19.855 20.925 ( -3.738 -0.840 -18.527) 18.919 21.891 ( 1.646 7.899 -20.691) 22.209 21.911 ( 0.079 8.238 -19.545) 21.210 22.068 ( -0.346 -7.208 -15.030) 16.672 22.094 ( -2.482 -7.880 -15.173) 17.276 23.476 ( 9.987 6.956 6.440) 13.770 23.608 ( 9.417 -5.825 3.379) 11.577 23.667 ( -7.850 6.017 6.304) 11.729 23.781 ( -6.850 -4.962 2.527) 8.828 25.701 ( 2.194 7.385 6.470) 10.061 25.743 ( -1.512 8.885 7.512) 11.733 25.929 ( 3.795 -14.909 8.202) 17.435 26.017 ( -4.318 -17.973 9.556) 20.809 29.739 ( 8.623 8.752 -15.513) 19.789 29.794 ( 8.464 3.346 -12.154) 15.184 29.935 ( -8.482 7.397 -18.475) 21.633 29.991 ( -8.812 1.649 -13.920) 16.557 32.818 ( 3.794 14.726 29.792) 33.449 32.902 ( -4.257 18.204 28.823) 34.355 33.153 ( 7.211 -19.025 29.824) 36.103 33.318 ( -8.496 -23.816 28.337) 37.978 ======================= Grid point 180 (61/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 0.000 0.000 50.431) 50.431 4.510 ( 0.000 0.000 51.354) 51.354 5.315 ( 0.000 0.000 14.638) 14.638 5.642 ( 0.000 0.000 29.258) 29.258 6.771 ( 0.000 0.000 -12.598) 12.598 6.860 ( 0.000 0.000 22.645) 22.645 7.148 ( 0.000 0.000 -5.765) 5.765 7.236 ( 0.000 0.000 6.946) 6.946 7.578 ( 0.000 0.000 17.410) 17.410 7.602 ( 0.000 0.000 1.865) 1.865 7.646 ( 0.000 0.000 -6.762) 6.762 7.965 ( 0.000 0.000 13.150) 13.150 8.049 ( 0.000 0.000 -19.264) 19.264 8.422 ( 0.000 0.000 -4.234) 4.234 8.852 ( 0.000 0.000 6.511) 6.511 8.916 ( 0.000 0.000 -7.509) 7.509 8.938 ( 0.000 0.000 -21.484) 21.484 9.303 ( 0.000 0.000 -18.020) 18.020 9.662 ( 0.000 0.000 0.238) 0.238 9.667 ( 0.000 0.000 6.363) 6.363 9.940 ( 0.000 0.000 -12.511) 12.511 9.992 ( 0.000 0.000 -3.249) 3.249 10.090 ( 0.000 0.000 17.375) 17.375 10.501 ( 0.000 0.000 -26.163) 26.163 10.533 ( 0.000 0.000 -16.010) 16.010 11.086 ( 0.000 0.000 11.066) 11.066 11.315 ( 0.000 0.000 -21.772) 21.772 11.368 ( 0.000 0.000 14.935) 14.935 11.450 ( 0.000 0.000 -19.531) 19.531 11.523 ( 0.000 0.000 -18.833) 18.833 11.837 ( 0.000 0.000 1.199) 1.199 11.868 ( 0.000 0.000 2.362) 2.362 12.622 ( 0.000 0.000 14.295) 14.295 12.676 ( 0.000 0.000 3.736) 3.736 13.563 ( 0.000 0.000 -4.873) 4.873 13.671 ( 0.000 0.000 4.891) 4.891 13.785 ( 0.000 0.000 3.877) 3.877 13.799 ( 0.000 0.000 2.331) 2.331 14.112 ( 0.000 0.000 -7.678) 7.678 14.123 ( 0.000 0.000 -4.330) 4.330 14.285 ( 0.000 0.000 -5.226) 5.226 14.323 ( 0.000 0.000 2.986) 2.986 14.490 ( 0.000 0.000 5.319) 5.319 14.780 ( 0.000 0.000 -13.876) 13.876 15.314 ( 0.000 0.000 4.673) 4.673 15.388 ( 0.000 0.000 -2.925) 2.925 16.105 ( 0.000 0.000 4.980) 4.980 16.213 ( 0.000 0.000 2.548) 2.548 16.615 ( 0.000 0.000 -8.764) 8.764 16.652 ( 0.000 0.000 -1.686) 1.686 17.148 ( 0.000 0.000 9.991) 9.991 17.279 ( 0.000 0.000 5.081) 5.081 17.404 ( 0.000 0.000 18.053) 18.053 17.590 ( 0.000 0.000 7.500) 7.500 17.667 ( 0.000 0.000 11.340) 11.340 18.035 ( 0.000 0.000 3.387) 3.387 18.655 ( 0.000 0.000 -9.939) 9.939 18.903 ( 0.000 0.000 0.634) 0.634 19.144 ( 0.000 0.000 -16.044) 16.044 19.184 ( 0.000 0.000 -20.794) 20.794 20.377 ( 0.000 0.000 -4.125) 4.125 20.379 ( 0.000 0.000 -3.440) 3.440 20.712 ( 0.000 0.000 -27.609) 27.609 20.955 ( 0.000 0.000 -28.766) 28.766 21.020 ( 0.000 0.000 3.909) 3.909 21.060 ( 0.000 0.000 2.560) 2.560 22.214 ( 0.000 0.000 13.359) 13.359 22.992 ( 0.000 0.000 0.849) 0.849 23.538 ( 0.000 0.000 -1.146) 1.146 23.616 ( 0.000 0.000 -1.182) 1.182 23.749 ( 0.000 0.000 5.808) 5.808 24.102 ( 0.000 0.000 -1.422) 1.422 25.745 ( 0.000 0.000 -1.930) 1.930 25.898 ( 0.000 0.000 0.022) 0.022 27.037 ( 0.000 0.000 8.779) 8.779 27.426 ( 0.000 0.000 4.013) 4.013 28.022 ( 0.000 0.000 -22.544) 22.544 28.149 ( 0.000 0.000 -13.926) 13.926 28.694 ( 0.000 0.000 12.979) 12.979 29.461 ( 0.000 0.000 -5.197) 5.197 32.820 ( 0.000 0.000 23.446) 23.446 32.991 ( 0.000 0.000 20.753) 20.753 34.454 ( 0.000 0.000 29.904) 29.904 35.726 ( 0.000 0.000 -6.530) 6.530 ======================= Grid point 181 (62/105) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 11.212 0.000 47.001) 48.319 4.609 ( 9.550 0.000 49.418) 50.333 5.209 ( -10.194 0.000 18.686) 21.286 5.530 ( -10.957 0.000 32.095) 33.914 6.789 ( 2.967 0.000 -9.501) 9.953 6.930 ( 6.872 0.000 16.714) 18.072 7.123 ( -1.748 0.000 -4.687) 5.003 7.203 ( -1.515 0.000 -0.288) 1.543 7.527 ( -9.100 0.000 -3.457) 9.735 7.664 ( 6.177 0.000 2.765) 6.768 7.839 ( -14.191 0.000 -4.325) 14.835 7.841 ( 18.062 0.000 -1.658) 18.138 8.011 ( 5.826 0.000 20.999) 21.792 8.400 ( -5.241 0.000 -10.911) 12.105 8.875 ( -1.799 0.000 9.718) 9.883 8.922 ( -5.708 0.000 -22.884) 23.585 9.061 ( 13.210 0.000 0.047) 13.210 9.262 ( 0.772 0.000 -9.374) 9.405 9.543 ( -7.201 0.000 6.814) 9.914 9.667 ( -1.431 0.000 1.508) 2.080 9.900 ( -5.576 0.000 -12.118) 13.339 10.000 ( -2.868 0.000 0.066) 2.869 10.119 ( 7.481 0.000 -2.060) 7.760 10.490 ( -0.614 0.000 -24.550) 24.558 10.529 ( -0.592 0.000 -17.324) 17.334 10.949 ( -11.459 0.000 2.398) 11.707 11.341 ( 2.490 0.000 -21.691) 21.834 11.427 ( 4.625 0.000 10.328) 11.316 11.507 ( 3.902 0.000 -3.562) 5.283 11.514 ( -1.052 0.000 -19.229) 19.258 11.839 ( 0.131 0.000 0.864) 0.874 11.863 ( -0.472 0.000 1.741) 1.804 12.649 ( 2.611 0.000 9.268) 9.629 12.717 ( 3.131 0.000 5.124) 6.005 13.584 ( 3.435 0.000 -1.731) 3.846 13.795 ( 0.907 0.000 3.593) 3.706 13.801 ( 10.381 0.000 0.709) 10.405 13.808 ( 0.730 0.000 2.740) 2.835 14.106 ( -0.556 0.000 -7.156) 7.178 14.114 ( -0.753 0.000 -4.335) 4.400 14.160 ( -9.417 0.000 -2.663) 9.786 14.295 ( -3.608 0.000 0.979) 3.739 14.511 ( 1.648 0.000 2.808) 3.256 14.767 ( -1.793 0.000 -12.419) 12.548 15.301 ( -0.858 0.000 5.506) 5.573 15.373 ( -1.705 0.000 -0.776) 1.874 16.116 ( 1.099 0.000 4.871) 4.993 16.204 ( -0.870 0.000 2.998) 3.122 16.601 ( -0.694 0.000 -6.257) 6.295 16.651 ( -0.562 0.000 -4.272) 4.309 17.156 ( 0.824 0.000 9.581) 9.616 17.258 ( -1.756 0.000 6.470) 6.704 17.435 ( 2.719 0.000 16.260) 16.486 17.643 ( -2.308 0.000 11.576) 11.804 17.653 ( 5.848 0.000 5.605) 8.100 18.016 ( -2.031 0.000 2.505) 3.225 18.682 ( 2.383 0.000 -8.584) 8.908 18.865 ( -3.339 0.000 -0.529) 3.380 19.117 ( -1.798 0.000 -16.349) 16.447 19.178 ( -1.067 0.000 -19.150) 19.180 20.379 ( 0.329 0.000 -3.708) 3.722 20.385 ( 0.428 0.000 -3.688) 3.713 20.734 ( 2.164 0.000 -27.892) 27.976 20.932 ( -2.256 0.000 -28.828) 28.916 21.021 ( 0.175 0.000 3.756) 3.760 21.054 ( -0.550 0.000 2.655) 2.712 22.286 ( 6.982 0.000 14.160) 15.788 22.970 ( -4.444 0.000 4.483) 6.312 23.454 ( -2.562 0.000 4.127) 4.858 23.671 ( 1.730 0.000 -0.969) 1.983 23.738 ( -0.206 0.000 1.265) 1.282 24.034 ( -6.061 0.000 -2.291) 6.479 25.837 ( 6.948 0.000 -2.893) 7.526 25.924 ( 2.397 0.000 -0.471) 2.443 27.108 ( 7.451 0.000 4.696) 8.808 27.470 ( 4.340 0.000 3.397) 5.511 27.927 ( -9.193 0.000 -21.051) 22.971 28.017 ( -10.533 0.000 -7.596) 12.987 28.830 ( 10.915 0.000 6.623) 12.767 29.412 ( -4.762 0.000 -4.562) 6.594 32.840 ( 1.881 0.000 23.399) 23.474 32.981 ( -1.053 0.000 21.280) 21.306 34.539 ( 8.479 0.000 27.452) 28.732 35.563 ( -15.073 0.000 -1.303) 15.130 ======================= Grid point 182 (63/105) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( 17.118 0.000 38.423) 42.063 4.877 ( 16.254 0.000 44.425) 47.305 4.929 ( -16.578 0.000 27.948) 32.494 5.230 ( -17.473 0.000 38.075) 41.893 6.913 ( 8.576 0.000 -7.042) 11.097 7.067 ( -5.019 0.000 -6.994) 8.609 7.133 ( 13.011 0.000 4.368) 13.725 7.204 ( 2.324 0.000 -2.435) 3.367 7.321 ( -9.359 0.000 -3.168) 9.881 7.444 ( -17.205 0.000 -8.410) 19.150 7.937 ( 13.354 0.000 -0.305) 13.357 8.206 ( -10.741 0.000 -6.091) 12.348 8.244 ( 15.146 0.000 29.744) 33.379 8.250 ( 21.039 0.000 -6.879) 22.135 8.637 ( -19.438 0.000 28.763) 34.715 8.656 ( -18.184 0.000 -14.997) 23.570 9.372 ( 14.790 0.000 7.231) 16.463 9.394 ( 9.634 0.000 -6.561) 11.656 9.513 ( 1.510 0.000 0.965) 1.792 9.577 ( -7.374 0.000 -3.565) 8.190 9.772 ( -4.711 0.000 -15.021) 15.743 9.847 ( -9.728 0.000 -6.447) 11.670 10.370 ( 14.899 0.000 -9.374) 17.602 10.489 ( 0.559 0.000 -21.953) 21.960 10.509 ( -1.216 0.000 -19.198) 19.236 10.677 ( -14.852 0.000 -5.606) 15.875 11.408 ( 3.723 0.000 -21.177) 21.501 11.476 ( -2.731 0.000 -20.191) 20.375 11.517 ( 3.675 0.000 9.228) 9.933 11.555 ( 0.278 0.000 7.638) 7.643 11.843 ( 0.284 0.000 0.410) 0.499 11.851 ( -0.568 0.000 0.709) 0.909 12.715 ( 3.392 0.000 4.458) 5.601 12.756 ( -0.035 0.000 3.838) 3.838 13.712 ( 8.891 0.000 -0.712) 8.920 13.815 ( 0.803 0.000 3.310) 3.406 13.820 ( 0.321 0.000 3.208) 3.224 13.912 ( -8.536 0.000 -1.405) 8.650 14.053 ( 7.134 0.000 -0.481) 7.150 14.096 ( -0.309 0.000 -5.900) 5.908 14.099 ( -0.602 0.000 -4.748) 4.786 14.197 ( -5.862 0.000 0.590) 5.892 14.570 ( 4.792 0.000 -3.106) 5.711 14.690 ( -5.789 0.000 -9.564) 11.180 15.295 ( 0.524 0.000 6.146) 6.168 15.326 ( -2.374 0.000 3.894) 4.561 16.146 ( 1.661 0.000 4.531) 4.826 16.179 ( -1.522 0.000 3.874) 4.163 16.602 ( 0.797 0.000 -5.325) 5.384 16.628 ( -1.503 0.000 -5.334) 5.542 17.181 ( 1.609 0.000 8.708) 8.855 17.219 ( -2.031 0.000 7.761) 8.022 17.503 ( 3.786 0.000 14.058) 14.559 17.580 ( -3.684 0.000 12.440) 12.974 17.801 ( 7.986 0.000 2.205) 8.285 17.943 ( -5.414 0.000 1.147) 5.534 18.734 ( 2.528 0.000 -5.125) 5.715 18.791 ( -3.405 0.000 -2.371) 4.149 19.102 ( 0.751 0.000 -16.658) 16.675 19.140 ( -2.400 0.000 -17.691) 17.853 20.388 ( 0.394 0.000 -3.530) 3.552 20.391 ( 0.076 0.000 -3.589) 3.590 20.794 ( 3.587 0.000 -28.437) 28.662 20.870 ( -3.650 0.000 -28.793) 29.024 21.028 ( 0.495 0.000 3.370) 3.406 21.041 ( -0.730 0.000 2.943) 3.033 22.488 ( 12.615 0.000 15.083) 19.663 22.767 ( -13.820 0.000 12.549) 18.668 23.513 ( 6.728 0.000 5.471) 8.672 23.638 ( -4.419 0.000 5.403) 6.980 23.779 ( 3.822 0.000 -6.419) 7.471 23.891 ( -7.110 0.000 -5.194) 8.805 25.946 ( 3.328 0.000 -1.411) 3.615 25.971 ( 1.056 0.000 -1.667) 1.973 27.344 ( 15.203 0.000 -6.130) 16.392 27.598 ( 8.171 0.000 1.519) 8.311 27.669 ( -15.543 0.000 -15.922) 22.251 27.793 ( -10.821 0.000 -1.844) 10.977 29.065 ( 11.458 0.000 0.806) 11.486 29.273 ( -8.833 0.000 -2.630) 9.216 32.890 ( 2.866 0.000 23.120) 23.297 32.946 ( -2.396 0.000 22.353) 22.481 34.795 ( 16.632 0.000 20.452) 26.361 35.183 ( -20.574 0.000 9.902) 22.833 ======================= Grid point 185 (64/105) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 0.000 10.687 48.757) 49.914 4.725 ( 0.000 20.528 48.378) 52.553 5.352 ( 0.000 3.830 14.916) 15.400 5.848 ( 0.000 19.583 27.765) 33.977 6.772 ( 0.000 0.303 2.513) 2.531 6.964 ( 0.000 10.108 6.954) 12.269 7.173 ( 0.000 -1.320 13.130) 13.197 7.281 ( 0.000 7.734 -7.340) 10.662 7.524 ( 0.000 -3.966 -9.950) 10.711 7.612 ( 0.000 0.614 4.931) 4.969 7.756 ( 0.000 10.465 14.185) 17.627 7.979 ( 0.000 -6.757 -14.890) 16.352 8.040 ( 0.000 6.377 6.383) 9.022 8.479 ( 0.000 5.066 5.130) 7.209 8.620 ( 0.000 -16.531 -16.422) 23.301 8.882 ( 0.000 3.522 6.781) 7.641 9.031 ( 0.000 -0.137 -9.173) 9.174 9.400 ( 0.000 7.417 -16.460) 18.054 9.541 ( 0.000 -9.042 -0.523) 9.057 9.765 ( 0.000 8.684 -9.103) 12.581 10.016 ( 0.000 2.635 -4.643) 5.339 10.036 ( 0.000 6.641 -3.044) 7.305 10.129 ( 0.000 4.319 13.759) 14.421 10.506 ( 0.000 -0.131 -26.731) 26.731 10.567 ( 0.000 3.040 -15.473) 15.769 11.037 ( 0.000 -4.178 6.914) 8.078 11.209 ( 0.000 -10.268 3.728) 10.924 11.303 ( 0.000 -1.116 -17.255) 17.291 11.430 ( 0.000 -1.952 -20.941) 21.032 11.642 ( 0.000 5.414 -7.105) 8.932 11.762 ( 0.000 -5.317 7.609) 9.282 11.897 ( 0.000 2.692 1.549) 3.106 12.639 ( 0.000 -3.559 -0.885) 3.667 12.685 ( 0.000 4.463 5.183) 6.840 13.413 ( 0.000 -10.944 1.174) 11.007 13.462 ( 0.000 -13.814 -0.118) 13.814 13.845 ( 0.000 -9.670 0.666) 9.693 13.874 ( 0.000 -5.785 -1.564) 5.993 13.955 ( 0.000 -1.728 -5.140) 5.422 14.083 ( 0.000 12.696 7.194) 14.593 14.464 ( 0.000 11.870 -3.214) 12.297 14.513 ( 0.000 3.324 7.280) 8.003 14.528 ( 0.000 11.599 0.890) 11.633 14.736 ( 0.000 -3.066 -16.938) 17.213 15.361 ( 0.000 4.759 4.976) 6.885 15.408 ( 0.000 2.909 2.347) 3.738 16.171 ( 0.000 -4.086 2.249) 4.664 16.179 ( 0.000 6.671 0.528) 6.692 16.570 ( 0.000 -4.507 -5.753) 7.308 16.637 ( 0.000 -1.944 -1.093) 2.230 17.210 ( 0.000 5.965 8.245) 10.176 17.324 ( 0.000 4.126 4.396) 6.029 17.467 ( 0.000 5.094 17.028) 17.773 17.578 ( 0.000 -0.328 8.039) 8.046 17.668 ( 0.000 -2.014 12.478) 12.640 17.963 ( 0.000 -5.544 2.032) 5.905 18.590 ( 0.000 -6.173 -5.245) 8.101 18.775 ( 0.000 -12.300 1.266) 12.365 19.108 ( 0.000 -3.177 -17.794) 18.076 19.156 ( 0.000 -2.817 -20.656) 20.847 20.373 ( 0.000 -0.071 -6.399) 6.400 20.405 ( 0.000 2.640 -5.065) 5.712 20.804 ( 0.000 8.345 -24.640) 26.015 20.976 ( 0.000 1.275 -23.462) 23.497 20.986 ( 0.000 -3.026 3.010) 4.268 21.043 ( 0.000 -0.750 -3.194) 3.281 22.194 ( 0.000 -2.065 10.982) 11.174 22.961 ( 0.000 -4.746 -0.875) 4.826 23.479 ( 0.000 -14.386 1.908) 14.512 23.522 ( 0.000 -1.668 -1.838) 2.482 23.763 ( 0.000 1.626 6.434) 6.637 23.964 ( 0.000 -7.267 0.606) 7.293 25.713 ( 0.000 -2.767 -1.245) 3.034 25.847 ( 0.000 -4.446 0.285) 4.455 26.921 ( 0.000 -10.977 9.392) 14.447 27.598 ( 0.000 -4.202 0.002) 4.202 28.018 ( 0.000 19.704 -14.076) 24.216 28.316 ( 0.000 15.647 -13.246) 20.501 28.876 ( 0.000 14.469 3.323) 14.846 29.533 ( 0.000 6.808 -6.493) 9.408 32.845 ( 0.000 2.729 23.314) 23.473 32.990 ( 0.000 0.160 21.132) 21.133 34.377 ( 0.000 -7.655 29.480) 30.458 35.548 ( 0.000 -17.492 -3.064) 17.758 ======================= Grid point 186 (65/105) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( 10.001 9.474 45.869) 47.893 4.822 ( 9.360 20.257 46.502) 51.579 5.248 ( -9.916 4.171 18.880) 21.730 5.730 ( -11.360 19.086 30.843) 38.008 6.787 ( 3.236 -0.861 -0.565) 3.396 7.010 ( 4.626 8.612 6.205) 11.579 7.189 ( 0.536 4.628 6.154) 7.719 7.264 ( -0.787 6.188 -4.242) 7.543 7.519 ( -3.419 -0.351 -5.800) 6.742 7.707 ( -5.078 1.544 -10.660) 11.909 7.767 ( 10.881 -4.612 1.429) 11.904 7.855 ( -4.640 2.901 -2.929) 6.207 8.085 ( 6.649 6.301 25.423) 27.023 8.451 ( -3.799 3.286 -4.537) 6.768 8.702 ( 4.222 -11.958 -16.428) 20.753 8.901 ( 0.281 1.482 5.675) 5.872 9.088 ( 3.868 -1.672 -0.306) 4.225 9.272 ( -8.227 -0.057 -1.852) 8.433 9.549 ( -0.476 -0.926 -6.235) 6.322 9.714 ( -2.462 7.873 -3.298) 8.884 9.963 ( -5.382 2.781 -4.080) 7.304 10.051 ( -5.665 4.859 0.573) 7.485 10.150 ( 9.078 4.144 -6.706) 12.023 10.503 ( 0.534 0.934 -24.211) 24.235 10.570 ( -0.361 3.936 -16.254) 16.728 10.920 ( -9.599 -2.198 1.854) 10.021 11.256 ( 2.964 -9.335 -0.816) 9.828 11.318 ( 1.454 -3.228 -15.815) 16.206 11.491 ( 4.818 -1.245 -13.441) 14.332 11.646 ( 0.151 5.447 -5.343) 7.631 11.778 ( 1.566 -4.473 6.048) 7.684 11.893 ( -0.602 2.763 1.108) 3.037 12.667 ( 2.453 -2.000 -1.050) 3.335 12.710 ( 2.150 1.729 3.370) 4.355 13.422 ( 2.767 -12.437 1.284) 12.806 13.560 ( 6.813 -12.535 -0.658) 14.282 13.816 ( -2.588 -10.296 0.839) 10.649 13.856 ( -3.436 -13.134 -5.009) 14.470 13.945 ( 1.052 2.616 -3.007) 4.122 14.120 ( 3.547 13.469 7.120) 15.643 14.344 ( -7.758 7.855 -0.459) 11.050 14.444 ( -4.692 8.317 2.835) 9.961 14.619 ( 3.729 10.317 -0.406) 10.978 14.740 ( 0.091 -1.037 -12.593) 12.636 15.347 ( -0.807 4.625 6.027) 7.640 15.406 ( -0.628 3.988 2.662) 4.835 16.166 ( 0.054 -0.653 2.368) 2.457 16.190 ( 0.451 3.496 1.640) 3.888 16.562 ( -0.532 -3.994 -4.851) 6.306 16.624 ( -1.321 -2.868 -2.297) 3.904 17.212 ( 0.387 5.293 8.018) 9.616 17.307 ( -1.573 4.512 5.496) 7.283 17.490 ( 1.873 4.210 15.874) 16.529 17.571 ( -0.487 -3.892 9.962) 10.707 17.713 ( 4.117 1.824 8.616) 9.721 17.954 ( -0.992 -4.668 1.255) 4.934 18.613 ( 1.934 -6.680 -4.193) 8.121 18.748 ( -2.444 -11.461 1.010) 11.762 19.084 ( -1.810 -2.946 -17.788) 18.121 19.140 ( -1.660 -3.548 -20.045) 20.424 20.382 ( 0.846 0.337 -6.153) 6.220 20.409 ( 0.272 2.452 -5.043) 5.614 20.814 ( 0.989 7.167 -24.774) 25.809 20.934 ( -2.564 -0.802 -16.887) 17.099 21.004 ( 0.579 -1.941 -2.635) 3.323 21.046 ( -0.030 0.945 -4.248) 4.352 22.256 ( 6.072 -2.992 11.426) 13.281 22.896 ( -7.485 -8.869 2.560) 11.884 23.406 ( 0.027 -4.970 5.363) 7.312 23.639 ( 5.401 -3.418 -3.567) 7.320 23.734 ( -2.506 0.257 4.490) 5.149 23.935 ( -2.868 -5.482 -0.716) 6.228 25.773 ( 4.809 -5.027 -0.933) 7.019 25.872 ( 2.165 -4.601 -0.208) 5.089 26.969 ( 5.200 -11.955 6.938) 14.768 27.568 ( -4.143 -12.060 -1.808) 12.879 27.972 ( -2.286 27.245 -10.369) 29.241 28.268 ( -4.778 18.998 -13.858) 23.996 28.968 ( 8.155 11.876 1.800) 14.518 29.486 ( -4.592 6.943 -5.877) 10.190 32.862 ( 1.601 2.425 23.300) 23.481 32.982 ( -0.877 0.337 21.590) 21.610 34.456 ( 7.890 -8.228 27.209) 29.501 35.400 ( -13.723 -16.069 1.448) 21.181 ======================= Grid point 187 (66/105) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( 15.946 7.075 38.238) 42.030 4.975 ( -15.676 5.321 28.371) 32.848 5.085 ( 15.446 19.329 41.575) 48.380 5.427 ( -17.214 18.694 36.264) 44.282 6.931 ( 10.167 0.091 -2.899) 10.573 7.125 ( -6.360 3.993 -3.951) 8.486 7.142 ( 7.238 3.958 -0.646) 8.275 7.309 ( 2.350 8.673 3.648) 9.698 7.345 ( -7.773 1.679 -7.409) 10.869 7.497 ( -11.269 6.520 -7.592) 15.071 7.905 ( 8.655 -4.605 -8.148) 12.748 8.013 ( 3.555 -9.246 -0.647) 9.927 8.312 ( 12.808 6.316 22.906) 26.993 8.420 ( 8.051 7.717 -2.044) 11.338 8.606 ( -13.005 0.600 -5.655) 14.194 8.750 ( -15.855 7.612 14.327) 22.684 9.176 ( 4.077 -12.650 1.192) 13.344 9.208 ( 1.500 -11.751 8.075) 14.336 9.605 ( 6.562 4.416 -4.219) 8.965 9.725 ( 2.106 7.925 -4.626) 9.415 9.810 ( -7.292 2.092 -9.907) 12.478 9.896 ( -8.515 3.940 -8.656) 12.765 10.384 ( 12.036 1.889 -11.259) 16.589 10.527 ( -0.511 3.073 -16.012) 16.312 10.551 ( 0.801 4.679 -19.786) 20.348 10.698 ( -11.402 3.007 -5.564) 13.039 11.309 ( 2.276 -8.188 -6.717) 10.833 11.337 ( -0.174 -6.891 -10.419) 12.493 11.583 ( 3.801 1.392 -7.334) 8.377 11.636 ( -1.409 4.178 -4.148) 6.054 11.821 ( 2.455 -1.543 3.000) 4.172 11.868 ( -1.895 1.622 1.072) 2.716 12.721 ( 2.390 -0.842 -1.155) 2.785 12.744 ( 0.457 -0.988 0.030) 1.089 13.530 ( 7.437 -13.752 -0.001) 15.634 13.663 ( 0.055 -10.208 0.990) 10.256 13.730 ( -3.797 -16.209 -3.765) 17.069 13.767 ( -3.325 -9.176 -0.445) 9.770 14.030 ( 6.717 0.278 -4.227) 7.941 14.180 ( -6.244 6.705 -2.313) 9.450 14.222 ( 3.904 9.694 6.091) 12.096 14.334 ( -5.779 9.186 3.775) 11.491 14.679 ( 2.578 9.689 -3.522) 10.627 14.725 ( -1.731 4.420 -7.024) 8.478 15.346 ( 0.871 5.187 6.420) 8.299 15.377 ( -1.922 5.279 4.695) 7.322 16.175 ( 0.755 0.818 3.193) 3.382 16.190 ( -0.473 2.423 2.945) 3.843 16.562 ( 0.687 -3.871 -4.153) 5.719 16.589 ( -1.840 -3.863 -3.630) 5.612 17.231 ( 1.449 4.519 7.450) 8.833 17.268 ( -2.076 4.558 6.669) 8.340 17.529 ( 1.780 1.402 14.316) 14.494 17.557 ( -1.009 -2.880 12.410) 12.780 17.817 ( 5.580 1.651 2.799) 6.457 17.912 ( -3.411 -1.926 0.394) 3.937 18.654 ( 1.890 -7.837 -1.424) 8.186 18.695 ( -2.401 -9.560 0.514) 9.870 19.063 ( 0.276 -3.477 -18.315) 18.644 19.095 ( -2.394 -4.042 -19.154) 19.722 20.401 ( 0.841 1.216 -5.583) 5.775 20.411 ( -0.143 1.974 -5.142) 5.509 20.842 ( 1.773 3.813 -23.917) 24.284 20.884 ( -2.306 0.297 -20.711) 20.841 21.017 ( 0.786 -0.740 -1.360) 1.736 21.035 ( -0.910 1.165 -2.960) 3.309 22.431 ( 10.897 -5.752 11.681) 16.979 22.677 ( -12.631 -9.322 9.187) 18.189 23.492 ( 6.862 -1.909 5.945) 9.278 23.628 ( -5.643 -0.688 6.071) 8.317 23.761 ( 4.520 -1.595 -6.031) 7.704 23.855 ( -4.653 -1.997 -3.826) 6.346 25.864 ( 3.596 -6.630 0.104) 7.543 25.903 ( 0.021 -5.838 -0.287) 5.845 27.143 ( 11.626 -14.646 0.935) 18.723 27.397 ( -12.014 -17.162 -3.059) 21.171 28.000 ( 5.028 30.477 -8.414) 32.014 28.137 ( -7.483 25.004 -11.541) 28.537 29.162 ( 10.150 8.901 -1.330) 13.565 29.353 ( -8.322 7.486 -4.091) 11.918 32.905 ( 2.457 1.686 23.120) 23.311 32.952 ( -2.047 0.883 22.504) 22.615 34.695 ( 15.400 -10.030 20.785) 27.745 35.053 ( -18.899 -12.954 11.288) 25.542 ======================= Grid point 190 (67/105) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( 0.000 20.874 44.140) 48.827 5.224 ( 0.000 28.252 42.072) 50.678 5.471 ( 0.000 8.466 15.107) 17.317 6.287 ( 0.000 20.029 21.082) 29.079 6.800 ( 0.000 4.145 12.765) 13.421 7.160 ( 0.000 -2.945 8.622) 9.111 7.220 ( 0.000 14.789 0.296) 14.792 7.238 ( 0.000 -7.987 3.252) 8.623 7.566 ( 0.000 -8.440 6.513) 10.661 7.644 ( 0.000 11.885 -7.732) 14.179 7.871 ( 0.000 0.763 -2.622) 2.731 7.990 ( 0.000 11.886 3.148) 12.296 8.191 ( 0.000 9.795 -13.125) 16.377 8.336 ( 0.000 -11.955 -15.137) 19.289 8.602 ( 0.000 9.276 29.018) 30.465 8.988 ( 0.000 5.758 3.653) 6.819 9.023 ( 0.000 0.621 -8.853) 8.875 9.420 ( 0.000 -1.261 -1.817) 2.212 9.508 ( 0.000 2.692 -13.597) 13.861 9.896 ( 0.000 3.104 -20.233) 20.470 10.115 ( 0.000 7.368 -7.594) 10.581 10.163 ( 0.000 5.816 -1.554) 6.020 10.250 ( 0.000 8.124 14.920) 16.988 10.449 ( 0.000 -6.565 -23.509) 24.408 10.612 ( 0.000 0.130 -12.754) 12.755 10.984 ( 0.000 0.255 -0.439) 0.507 11.069 ( 0.000 -2.514 -1.434) 2.894 11.277 ( 0.000 -1.429 -13.385) 13.461 11.340 ( 0.000 -8.205 -9.779) 12.765 11.625 ( 0.000 -1.346 -1.554) 2.056 11.770 ( 0.000 2.294 2.733) 3.568 11.957 ( 0.000 2.998 -0.512) 3.042 12.548 ( 0.000 -5.315 -12.964) 14.011 12.665 ( 0.000 -10.463 -14.069) 17.533 13.159 ( 0.000 -17.047 -4.268) 17.573 13.255 ( 0.000 -2.390 13.383) 13.595 13.610 ( 0.000 -14.096 -6.551) 15.544 13.642 ( 0.000 -8.400 8.081) 11.656 13.989 ( 0.000 -1.900 -1.683) 2.538 14.385 ( 0.000 8.915 7.854) 11.881 14.532 ( 0.000 -0.261 -5.230) 5.236 14.638 ( 0.000 11.231 8.414) 14.034 14.744 ( 0.000 15.885 -0.312) 15.888 14.867 ( 0.000 12.688 -6.548) 14.278 15.491 ( 0.000 8.032 6.243) 10.173 15.523 ( 0.000 8.692 7.774) 11.661 16.066 ( 0.000 -6.170 1.959) 6.473 16.323 ( 0.000 7.075 -6.158) 9.380 16.442 ( 0.000 -8.447 -1.580) 8.594 16.556 ( 0.000 -6.797 -0.416) 6.810 17.353 ( 0.000 7.683 7.395) 10.664 17.419 ( 0.000 5.256 4.079) 6.653 17.455 ( 0.000 -19.361 12.601) 23.101 17.470 ( 0.000 -4.410 8.488) 9.565 17.681 ( 0.000 9.226 14.808) 17.447 17.926 ( 0.000 0.288 5.130) 5.138 18.455 ( 0.000 -5.793 -0.960) 5.872 18.481 ( 0.000 -15.441 1.530) 15.517 19.044 ( 0.000 -3.071 -19.597) 19.836 19.079 ( 0.000 -4.923 -20.703) 21.280 20.393 ( 0.000 2.315 -8.413) 8.726 20.466 ( 0.000 3.302 -6.847) 7.601 20.873 ( 0.000 -4.564 -0.204) 4.568 20.937 ( 0.000 -4.439 -4.501) 6.321 21.044 ( 0.000 12.047 -20.890) 24.115 21.106 ( 0.000 6.471 -22.793) 23.694 22.133 ( 0.000 -4.156 4.851) 6.388 22.692 ( 0.000 -22.107 -3.567) 22.393 23.265 ( 0.000 -3.771 6.131) 7.198 23.476 ( 0.000 -2.813 -2.049) 3.480 23.813 ( 0.000 3.327 6.880) 7.642 23.909 ( 0.000 0.106 0.387) 0.401 25.666 ( 0.000 -1.238 0.419) 1.307 25.754 ( 0.000 -4.441 0.896) 4.531 26.649 ( 0.000 -15.884 10.912) 19.271 27.246 ( 0.000 -23.451 2.991) 23.641 28.680 ( 0.000 36.753 -14.052) 39.347 28.688 ( 0.000 20.730 -12.171) 24.039 29.159 ( 0.000 13.531 -5.321) 14.539 29.695 ( 0.000 8.812 -9.441) 12.915 32.937 ( 0.000 7.096 22.838) 23.915 33.010 ( 0.000 2.235 22.137) 22.249 34.167 ( 0.000 -13.480 28.371) 31.411 35.091 ( 0.000 -27.870 4.437) 28.221 ======================= Grid point 191 (68/105) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.653 ( 7.472 19.295 41.909) 46.739 5.312 ( 8.474 27.669 40.700) 49.939 5.379 ( -8.753 9.316 18.580) 22.553 6.179 ( -11.385 23.456 27.000) 37.534 6.745 ( 0.336 -3.422 6.618) 7.458 7.183 ( -1.324 -3.828 1.647) 4.372 7.248 ( 1.769 -0.013 0.942) 2.004 7.327 ( 7.453 10.431 7.560) 14.883 7.545 ( -3.337 -3.220 1.012) 4.747 7.723 ( 5.080 5.518 -7.066) 10.304 7.751 ( -4.041 4.703 -0.868) 6.261 7.996 ( -5.088 11.028 -11.384) 16.646 8.175 ( 6.846 0.526 4.422) 8.167 8.490 ( 7.613 2.090 -0.500) 7.911 8.603 ( 1.983 3.942 3.461) 5.608 8.888 ( -4.146 -1.334 -4.986) 6.620 9.165 ( 4.598 8.720 9.307) 13.557 9.243 ( -10.530 0.275 1.379) 10.624 9.553 ( 1.863 0.063 -11.870) 12.015 9.850 ( -3.835 2.623 -17.158) 17.776 10.009 ( -8.076 4.114 3.029) 9.556 10.136 ( -9.269 3.828 6.748) 12.087 10.275 ( 7.988 6.846 -10.713) 15.015 10.504 ( 6.396 -1.000 -17.226) 18.402 10.654 ( 1.081 3.527 -14.417) 14.881 10.917 ( -5.334 2.299 -1.371) 5.968 11.106 ( 2.984 -4.285 -3.036) 6.040 11.257 ( -1.576 -3.290 -8.653) 9.391 11.425 ( 6.872 -6.124 -14.333) 17.034 11.639 ( 1.307 -1.958 -2.054) 3.124 11.777 ( 0.744 1.992 2.553) 3.323 11.958 ( -0.570 3.707 -0.636) 3.804 12.576 ( 2.618 -6.361 -13.197) 14.882 12.671 ( 0.571 -10.045 -14.121) 17.339 13.165 ( 1.315 -14.287 -0.901) 14.376 13.333 ( 6.227 -8.306 7.727) 12.942 13.542 ( -5.375 -13.211 -2.977) 14.570 13.640 ( -1.150 -8.247 4.228) 9.339 13.968 ( -1.138 -2.519 -0.978) 2.932 14.344 ( -6.572 -4.424 0.827) 7.965 14.477 ( -0.355 16.701 3.654) 17.100 14.625 ( -2.108 12.343 6.948) 14.320 14.801 ( 4.378 11.949 -0.509) 12.736 14.891 ( 1.585 12.947 -5.008) 13.972 15.479 ( -0.372 8.541 7.249) 11.209 15.532 ( 0.191 8.379 6.703) 10.732 16.090 ( 2.381 -4.980 2.059) 5.891 16.305 ( -1.813 5.423 -4.015) 6.987 16.447 ( 0.395 -7.559 -1.928) 7.811 16.530 ( -2.326 -6.982 -0.699) 7.393 17.304 ( -2.844 -1.666 7.119) 7.845 17.385 ( -2.474 -0.485 6.415) 6.892 17.448 ( 1.352 -2.564 10.003) 10.415 17.540 ( 1.764 -2.119 10.675) 11.026 17.733 ( 5.182 4.582 10.571) 12.633 17.926 ( -0.089 0.209 4.783) 4.788 18.468 ( 0.989 -6.121 -0.410) 6.214 18.474 ( -0.505 -14.060 2.040) 14.216 19.020 ( -2.072 -3.392 -19.074) 19.483 19.052 ( -2.362 -5.225 -20.441) 21.230 20.407 ( 1.247 2.312 -8.583) 8.976 20.466 ( -0.090 3.113 -7.001) 7.662 20.857 ( -1.263 -4.405 -3.270) 5.629 20.907 ( -2.751 -3.844 -3.361) 5.800 21.043 ( 1.184 10.034 -22.367) 24.543 21.133 ( 1.104 7.450 -18.916) 20.360 22.170 ( 3.532 -5.826 4.384) 8.102 22.595 ( -8.078 -20.235 -1.539) 21.842 23.322 ( 5.422 -1.948 6.328) 8.558 23.575 ( 7.901 -2.675 -2.915) 8.836 23.767 ( -4.514 2.935 6.744) 8.630 23.894 ( -1.545 0.230 -0.204) 1.575 25.691 ( 2.301 -2.624 1.323) 3.732 25.777 ( 1.687 -4.353 0.929) 4.760 26.682 ( 3.663 -16.669 9.149) 19.364 27.184 ( -6.007 -23.061 2.718) 23.985 28.634 ( -1.505 30.837 -11.168) 32.832 28.715 ( -0.216 28.054 -16.234) 32.413 29.215 ( 5.445 12.256 -4.441) 14.127 29.650 ( -4.318 8.924 -8.818) 13.268 32.945 ( 0.781 6.493 22.927) 23.841 33.007 ( -0.362 2.597 22.404) 22.557 34.231 ( 6.393 -14.383 26.551) 30.865 34.977 ( -10.575 -25.923 7.484) 28.980 ======================= Grid point 192 (69/105) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( 12.852 15.650 35.600) 40.956 5.142 ( -13.698 11.915 26.755) 32.333 5.550 ( 14.493 26.145 37.290) 47.792 5.874 ( -16.789 24.778 33.046) 44.586 6.866 ( 10.350 -7.447 2.865) 13.068 7.095 ( -9.693 -9.789 4.175) 14.395 7.264 ( 2.441 5.109 -2.776) 6.305 7.351 ( -5.579 0.225 -8.797) 10.419 7.545 ( 7.007 13.441 8.445) 17.352 7.692 ( -5.169 10.528 -2.313) 11.954 7.827 ( 5.079 1.107 -6.371) 8.223 7.931 ( -2.446 3.176 -1.629) 4.328 8.366 ( 11.329 -0.743 -9.051) 14.519 8.586 ( -0.202 8.810 4.171) 9.750 8.674 ( 1.163 4.370 -13.877) 14.595 8.782 ( -2.425 -8.163 -4.009) 9.412 9.102 ( -2.191 5.093 16.870) 17.758 9.138 ( -6.076 12.265 23.247) 26.977 9.647 ( 7.519 0.320 -5.680) 9.429 9.805 ( -3.043 -2.553 -16.284) 16.762 9.835 ( -3.921 3.540 1.594) 5.517 9.948 ( -8.852 0.856 -3.139) 9.431 10.447 ( 8.243 4.262 -12.420) 15.503 10.583 ( -3.893 2.738 -9.053) 10.228 10.682 ( 6.128 7.352 -15.301) 18.048 10.807 ( -5.513 6.769 -5.329) 10.228 11.166 ( 2.759 -5.379 -4.608) 7.601 11.218 ( -2.305 -5.091 -5.732) 8.005 11.567 ( 6.161 -3.197 -13.817) 15.462 11.648 ( -1.549 -1.781 -7.500) 7.862 11.818 ( 3.915 1.188 2.532) 4.811 11.911 ( -4.107 2.786 -0.258) 4.969 12.638 ( 2.957 -7.722 -13.570) 15.891 12.676 ( -0.576 -8.695 -13.972) 16.467 13.231 ( 5.441 -16.066 -1.564) 17.034 13.367 ( -6.426 -18.402 -2.637) 19.669 13.503 ( 4.741 -5.817 4.490) 8.745 13.593 ( -3.416 -6.809 4.212) 8.705 13.995 ( 4.783 -4.457 -0.845) 6.592 14.156 ( -10.061 -6.312 -2.091) 12.060 14.517 ( 2.911 17.876 7.542) 19.619 14.575 ( -2.680 15.546 7.335) 17.397 14.876 ( 2.731 11.358 -0.886) 11.716 14.907 ( -0.275 12.617 -2.617) 12.888 15.489 ( 1.331 8.909 7.107) 11.474 15.520 ( -1.295 8.693 6.453) 10.903 16.160 ( 4.283 -1.859 1.906) 5.044 16.248 ( -3.888 2.199 -0.158) 4.469 16.455 ( 0.568 -7.253 -1.908) 7.521 16.480 ( -2.053 -7.131 -1.471) 7.565 17.283 ( 0.915 -3.958 6.158) 7.377 17.327 ( -2.947 -2.239 6.023) 7.070 17.490 ( 2.466 0.267 10.698) 10.982 17.535 ( -1.671 1.153 11.534) 11.711 17.848 ( 4.934 1.240 5.561) 7.537 17.912 ( -1.596 0.324 4.261) 4.561 18.472 ( 0.408 -10.537 2.621) 10.866 18.481 ( -0.004 -7.404 1.540) 7.563 18.984 ( -0.774 -4.517 -18.952) 19.498 19.001 ( -2.199 -5.437 -19.783) 20.634 20.437 ( 1.463 2.451 -8.493) 8.960 20.459 ( -0.681 2.757 -7.668) 8.177 20.838 ( -0.280 -4.178 -5.530) 6.936 20.854 ( -1.937 -3.556 -5.455) 6.794 21.086 ( 2.503 8.419 -18.587) 20.558 21.129 ( -1.446 8.002 -17.452) 19.253 22.271 ( 6.369 -10.228 3.116) 12.445 22.421 ( -8.329 -15.700 1.206) 17.814 23.468 ( 8.411 0.212 6.714) 10.764 23.637 ( -7.649 1.970 7.152) 10.656 23.734 ( 6.680 -0.965 -3.401) 7.557 23.841 ( -3.831 0.222 -1.739) 4.213 25.748 ( 2.968 -4.270 2.374) 5.717 25.791 ( -0.775 -4.619 1.960) 5.078 26.811 ( 8.965 -18.873 5.160) 21.521 27.015 ( -10.112 -21.454 2.794) 23.882 28.634 ( 1.461 30.904 -12.450) 33.349 28.681 ( -2.631 29.617 -15.373) 33.473 29.362 ( 8.345 10.419 -5.130) 14.301 29.527 ( -7.521 9.363 -7.146) 13.975 32.967 ( 1.289 5.092 23.044) 23.635 32.992 ( -1.056 3.621 22.874) 23.183 34.423 ( 12.331 -17.161 21.515) 30.157 34.707 ( -14.858 -21.507 14.416) 29.852 ======================= Grid point 195 (70/105) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 0.000 28.436 37.621) 47.159 5.672 ( 0.000 12.705 15.919) 20.368 5.769 ( 0.000 25.857 33.388) 42.230 6.419 ( 0.000 -5.215 10.228) 11.481 6.854 ( 0.000 -22.276 12.958) 25.771 6.984 ( 0.000 9.215 19.988) 22.010 7.253 ( 0.000 3.113 7.882) 8.475 7.258 ( 0.000 -14.648 21.156) 25.732 7.532 ( 0.000 11.947 -13.219) 17.818 7.779 ( 0.000 1.472 0.678) 1.621 8.065 ( 0.000 10.349 -10.172) 14.511 8.130 ( 0.000 2.874 -11.261) 11.622 8.191 ( 0.000 4.540 7.480) 8.750 8.468 ( 0.000 16.659 -25.693) 30.621 8.929 ( 0.000 21.962 25.028) 33.297 9.045 ( 0.000 1.732 9.563) 9.718 9.063 ( 0.000 2.651 -12.477) 12.755 9.482 ( 0.000 -5.112 -14.609) 15.478 9.533 ( 0.000 12.182 4.371) 12.942 9.926 ( 0.000 1.550 -19.810) 19.871 10.170 ( 0.000 -8.623 -0.855) 8.665 10.244 ( 0.000 4.546 -8.855) 9.954 10.294 ( 0.000 -2.948 -16.744) 17.001 10.481 ( 0.000 12.862 16.968) 21.292 10.551 ( 0.000 -6.287 -2.249) 6.677 11.022 ( 0.000 -9.212 -7.795) 12.067 11.045 ( 0.000 4.873 -7.022) 8.547 11.196 ( 0.000 -0.917 3.258) 3.385 11.257 ( 0.000 0.137 -15.729) 15.730 11.676 ( 0.000 4.583 -9.260) 10.333 11.802 ( 0.000 3.394 -0.292) 3.407 11.976 ( 0.000 -2.660 -6.297) 6.835 12.280 ( 0.000 -25.564 -16.211) 30.271 12.483 ( 0.000 0.954 -22.777) 22.797 12.812 ( 0.000 -17.871 -3.345) 18.182 13.234 ( 0.000 -7.465 -1.361) 7.588 13.444 ( 0.000 2.429 3.043) 3.894 13.546 ( 0.000 -1.360 11.745) 11.823 13.879 ( 0.000 -8.081 2.531) 8.469 14.206 ( 0.000 -14.575 -1.974) 14.708 14.852 ( 0.000 20.478 6.043) 21.351 14.928 ( 0.000 17.715 7.440) 19.214 15.079 ( 0.000 17.423 1.176) 17.462 15.107 ( 0.000 11.545 -1.374) 11.626 15.634 ( 0.000 4.568 7.270) 8.586 15.711 ( 0.000 8.948 9.785) 13.259 15.953 ( 0.000 -4.852 2.702) 5.554 16.271 ( 0.000 -6.887 1.576) 7.065 16.300 ( 0.000 -14.909 -3.024) 15.212 16.486 ( 0.000 4.808 -6.313) 7.936 17.025 ( 0.000 -22.150 13.469) 25.924 17.292 ( 0.000 -13.297 7.318) 15.178 17.498 ( 0.000 5.671 7.119) 9.102 17.519 ( 0.000 4.701 5.529) 7.257 17.818 ( 0.000 2.610 13.808) 14.053 17.873 ( 0.000 -5.250 11.246) 12.411 18.298 ( 0.000 -0.659 0.079) 0.664 18.420 ( 0.000 1.546 -5.527) 5.739 18.977 ( 0.000 -4.979 -20.884) 21.469 18.988 ( 0.000 -2.836 -18.224) 18.443 20.459 ( 0.000 4.153 -7.115) 8.238 20.525 ( 0.000 2.629 -7.377) 7.832 20.771 ( 0.000 -5.016 -2.285) 5.512 20.835 ( 0.000 -5.638 -5.533) 7.899 21.266 ( 0.000 9.541 -21.675) 23.682 21.303 ( 0.000 13.264 -21.003) 24.841 22.034 ( 0.000 -5.916 -2.866) 6.574 22.255 ( 0.000 -20.480 -6.047) 21.354 23.259 ( 0.000 1.448 4.868) 5.079 23.417 ( 0.000 -3.178 -0.531) 3.222 23.881 ( 0.000 3.264 5.873) 6.719 23.927 ( 0.000 1.206 0.634) 1.363 25.691 ( 0.000 4.028 2.168) 4.574 25.698 ( 0.000 -0.704 2.259) 2.366 26.337 ( 0.000 -15.057 12.118) 19.328 26.773 ( 0.000 -24.001 7.767) 25.227 29.069 ( 0.000 17.160 -11.009) 20.388 29.277 ( 0.000 19.513 -6.945) 20.712 29.406 ( 0.000 14.894 -18.462) 23.721 29.842 ( 0.000 5.435 -12.780) 13.888 33.094 ( 0.000 6.710 23.380) 24.324 33.136 ( 0.000 13.563 21.747) 25.629 33.871 ( 0.000 -16.283 26.986) 31.518 34.512 ( 0.000 -30.213 11.537) 32.341 ======================= Grid point 196 (71/105) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.110 ( 4.542 26.877 35.910) 45.084 5.607 ( -6.384 13.867 17.358) 23.116 5.841 ( 7.226 25.698 33.783) 43.058 6.437 ( 1.260 -3.426 11.725) 12.280 6.744 ( -13.376 5.062 18.877) 23.683 6.865 ( -3.250 -17.645 17.178) 24.839 7.195 ( 0.049 -12.884 8.032) 15.183 7.377 ( -1.080 -5.741 5.304) 7.891 7.599 ( 8.284 11.123 -4.160) 14.480 7.815 ( 2.011 1.797 -2.898) 3.959 8.012 ( -1.246 16.566 -4.433) 17.194 8.134 ( -3.405 1.700 -0.193) 3.810 8.230 ( 6.691 8.327 -6.134) 12.318 8.571 ( 8.172 10.663 -23.200) 26.809 8.814 ( -6.851 6.799 -4.321) 10.575 8.977 ( -3.688 16.468 10.538) 19.896 9.255 ( 7.614 2.121 3.925) 8.825 9.360 ( -4.626 4.149 1.323) 6.354 9.571 ( 2.004 6.105 -3.212) 7.184 9.797 ( -7.481 -5.729 -21.264) 23.258 10.071 ( -8.097 -1.016 1.857) 8.369 10.234 ( -8.997 6.095 10.156) 14.874 10.394 ( 4.639 5.859 -4.048) 8.499 10.491 ( 11.628 -0.155 -6.053) 13.110 10.668 ( 5.739 -1.980 -6.366) 8.797 10.949 ( -3.775 0.025 -6.387) 7.419 11.101 ( 1.590 -1.199 -6.912) 7.194 11.185 ( -1.439 -1.933 0.821) 2.546 11.310 ( 6.215 -2.605 -15.720) 17.104 11.685 ( 0.040 6.655 -6.401) 9.234 11.785 ( 0.109 -0.925 -4.666) 4.758 12.010 ( 0.893 -0.395 -5.088) 5.180 12.305 ( 2.923 -23.512 -18.250) 29.907 12.473 ( -0.946 -1.728 -23.028) 23.112 12.834 ( 2.162 -18.334 -4.829) 19.082 13.182 ( -5.212 -11.503 -3.588) 13.129 13.440 ( 0.476 4.389 6.933) 8.219 13.548 ( -0.140 -1.097 10.324) 10.383 13.862 ( -1.061 -7.394 2.929) 8.024 14.137 ( -6.324 -13.337 -1.108) 14.802 14.865 ( 1.288 20.793 6.608) 21.855 14.932 ( 0.007 18.258 6.964) 19.541 15.081 ( 1.495 14.562 0.949) 14.669 15.151 ( 2.432 13.879 -0.682) 14.107 15.630 ( 0.017 4.716 7.646) 8.983 15.701 ( -0.827 7.630 9.299) 12.057 15.998 ( 4.180 -4.172 2.568) 6.441 16.269 ( -0.216 -9.477 0.336) 9.485 16.286 ( -1.476 -11.267 -1.506) 11.462 16.450 ( -3.490 3.565 -4.953) 7.031 17.007 ( -0.529 -19.995 11.944) 23.297 17.248 ( -4.054 -13.548 6.592) 15.603 17.516 ( 2.091 5.359 7.705) 9.615 17.580 ( 3.949 3.677 5.685) 7.837 17.815 ( 0.043 1.275 13.048) 13.110 17.869 ( -0.382 -5.324 10.949) 12.180 18.323 ( 2.485 0.613 0.115) 2.562 18.434 ( 1.157 2.096 -5.187) 5.712 18.942 ( -3.038 -5.276 -20.076) 20.979 18.955 ( -3.077 -3.805 -17.011) 17.701 20.469 ( 0.978 3.844 -7.854) 8.799 20.523 ( -0.208 2.702 -7.925) 8.376 20.759 ( -1.023 -4.945 -2.987) 5.867 20.810 ( -2.247 -5.446 -5.043) 7.755 21.262 ( 0.449 11.222 -21.647) 24.387 21.325 ( 1.005 11.651 -19.852) 23.041 22.033 ( 0.132 -8.009 -3.911) 8.914 22.199 ( -4.565 -18.802 -6.376) 20.372 23.328 ( 6.770 2.094 5.645) 9.060 23.525 ( 8.988 -2.756 -0.473) 9.413 23.834 ( -4.600 3.570 6.188) 8.497 23.910 ( -1.792 0.925 0.497) 2.077 25.685 ( 0.775 1.809 3.046) 3.627 25.738 ( 2.113 1.495 2.653) 3.707 26.350 ( 1.774 -16.409 10.530) 19.578 26.721 ( -5.018 -23.521 7.148) 25.090 29.086 ( 1.780 18.618 -11.460) 21.935 29.285 ( -0.695 23.745 -13.325) 27.237 29.421 ( 2.810 9.374 -12.031) 15.508 29.799 ( -4.143 5.497 -12.081) 13.904 33.097 ( 0.337 7.330 23.315) 24.443 33.132 ( -0.394 12.615 22.078) 25.431 33.917 ( 4.551 -17.230 25.694) 31.269 34.436 ( -7.177 -28.461 13.323) 32.234 ======================= Grid point 197 (72/105) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.244 ( 8.522 22.818 30.908) 39.352 5.436 ( -9.775 17.867 23.763) 31.296 6.047 ( 12.662 24.133 31.473) 41.633 6.327 ( -13.565 20.261 27.241) 36.560 6.628 ( 4.807 -15.960 9.722) 19.296 6.771 ( -6.914 -21.213 13.181) 25.914 7.216 ( 2.518 -10.186 3.540) 11.074 7.297 ( -4.952 -7.140 2.617) 9.075 7.766 ( 6.755 8.922 -3.477) 11.719 7.838 ( 0.044 5.500 -1.493) 5.699 7.993 ( 0.117 9.980 -4.043) 10.769 8.066 ( -4.663 3.583 -1.084) 5.979 8.439 ( 14.311 12.879 -5.425) 20.003 8.714 ( 1.635 5.188 -12.112) 13.278 8.741 ( -3.594 5.453 -22.490) 23.419 8.782 ( -8.433 11.758 -1.517) 14.548 9.326 ( 1.078 6.777 5.747) 8.951 9.342 ( -0.648 5.913 0.553) 5.974 9.671 ( 7.567 1.513 2.143) 8.009 9.762 ( 5.827 2.869 -2.835) 7.087 9.879 ( -10.478 -1.210 4.269) 11.379 9.980 ( -12.856 8.011 11.726) 19.156 10.532 ( 6.527 3.354 -6.541) 9.830 10.617 ( -0.549 -0.553 0.013) 0.779 10.790 ( 6.326 3.071 -12.260) 14.133 10.882 ( -3.109 1.808 -6.289) 7.245 11.117 ( 0.776 -1.948 -4.388) 4.863 11.146 ( -2.031 -1.909 -1.601) 3.214 11.483 ( 9.296 -3.788 -15.503) 18.469 11.636 ( -5.190 0.941 -9.599) 10.953 11.845 ( 5.392 1.194 -5.005) 7.454 11.963 ( -5.098 0.520 -4.601) 6.887 12.388 ( 4.177 -16.955 -21.738) 27.883 12.447 ( -1.771 -9.054 -23.396) 25.149 12.904 ( 5.065 -17.440 -6.144) 19.172 13.041 ( -7.859 -15.361 -5.555) 18.127 13.478 ( 2.852 2.968 9.569) 10.417 13.530 ( -1.830 0.327 9.583) 9.762 13.872 ( 2.894 -7.565 2.954) 8.621 13.985 ( -7.601 -10.343 1.123) 12.885 14.897 ( 1.632 20.555 7.022) 21.782 14.923 ( -0.885 19.610 6.852) 20.792 15.130 ( 2.759 13.674 0.965) 13.983 15.170 ( -0.749 14.112 0.108) 14.132 15.646 ( 1.505 5.264 8.033) 9.722 15.679 ( -1.429 6.193 8.491) 10.606 16.107 ( 6.113 -4.851 1.500) 7.947 16.220 ( -4.445 -10.425 -0.666) 11.353 16.288 ( 1.827 -5.385 0.079) 5.688 16.358 ( -4.815 -0.980 -1.300) 5.083 17.041 ( 3.895 -16.988 8.242) 19.280 17.145 ( -5.728 -14.881 6.333) 17.157 17.572 ( 3.032 5.365 8.163) 10.228 17.617 ( -0.731 4.824 7.283) 8.766 17.831 ( 1.431 -2.914 10.811) 11.288 17.857 ( -0.887 -5.036 10.251) 11.456 18.393 ( 3.875 3.087 -0.809) 5.020 18.445 ( -0.767 3.501 -3.469) 4.988 18.882 ( -1.989 -6.267 -17.662) 18.846 18.889 ( -2.552 -5.761 -16.464) 17.628 20.494 ( 1.330 3.369 -9.142) 9.834 20.515 ( -0.670 2.979 -9.036) 9.538 20.743 ( -0.129 -4.994 -3.794) 6.273 20.762 ( -1.968 -5.162 -4.376) 7.048 21.289 ( 1.916 11.567 -20.176) 23.335 21.324 ( -1.152 11.446 -19.234) 22.411 22.050 ( 1.744 -12.105 -5.774) 13.524 22.108 ( -3.921 -15.694 -6.646) 17.489 23.507 ( 9.967 3.512 6.696) 12.511 23.699 ( -7.411 3.769 6.945) 10.834 23.714 ( 7.390 -1.284 -0.401) 7.512 23.847 ( -4.726 -0.032 0.155) 4.728 25.719 ( 2.267 1.609 4.185) 5.024 25.755 ( -0.710 1.721 4.150) 4.548 26.430 ( 6.283 -19.441 7.280) 21.690 26.584 ( -8.009 -22.012 6.223) 24.236 29.143 ( 3.779 21.468 -13.468) 25.623 29.228 ( -4.169 24.049 -16.141) 29.262 29.532 ( 7.249 6.358 -8.511) 12.861 29.683 ( -7.018 5.744 -10.275) 13.705 33.107 ( 0.630 8.780 23.124) 24.743 33.121 ( -0.681 10.643 22.704) 25.084 34.052 ( 8.677 -20.073 22.218) 31.175 34.251 ( -10.273 -24.339 17.573) 31.729 ======================= Grid point 200 (73/105) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.655 ( 0.000 30.989 29.608) 42.859 5.934 ( 0.000 13.410 12.537) 18.358 6.156 ( 0.000 -0.957 25.026) 25.044 6.221 ( 0.000 -12.995 12.268) 17.871 6.444 ( 0.000 -3.608 26.108) 26.356 6.781 ( 0.000 -21.451 18.892) 28.584 7.241 ( 0.000 5.212 22.800) 23.388 7.291 ( 0.000 0.123 11.911) 11.911 7.709 ( 0.000 5.312 -13.946) 14.923 7.764 ( 0.000 -1.643 -4.244) 4.551 8.072 ( 0.000 1.116 -7.165) 7.252 8.129 ( 0.000 -2.767 -8.350) 8.797 8.601 ( 0.000 22.551 8.975) 24.272 8.768 ( 0.000 12.968 -32.617) 35.101 8.939 ( 0.000 -7.704 6.817) 10.287 9.035 ( 0.000 -8.112 -23.314) 24.685 9.411 ( 0.000 13.891 10.273) 17.277 9.420 ( 0.000 2.365 -5.434) 5.926 9.829 ( 0.000 15.055 4.540) 15.725 9.958 ( 0.000 -0.074 -13.693) 13.694 10.000 ( 0.000 0.571 12.605) 12.618 10.264 ( 0.000 -5.167 -4.606) 6.922 10.276 ( 0.000 -0.361 -10.804) 10.810 10.330 ( 0.000 -14.246 14.969) 20.664 10.690 ( 0.000 7.122 8.004) 10.714 10.813 ( 0.000 -8.091 -2.592) 8.496 11.136 ( 0.000 3.837 -8.766) 9.569 11.195 ( 0.000 -1.816 -5.798) 6.075 11.354 ( 0.000 12.087 -18.294) 21.926 11.717 ( 0.000 -14.937 -19.467) 24.537 11.742 ( 0.000 -4.636 -10.094) 11.107 11.853 ( 0.000 -7.869 -13.860) 15.938 12.057 ( 0.000 14.962 -3.495) 15.365 12.402 ( 0.000 -17.294 -9.255) 19.615 12.692 ( 0.000 12.259 -12.744) 17.683 12.987 ( 0.000 -15.309 -12.178) 19.562 13.575 ( 0.000 3.793 10.788) 11.435 13.603 ( 0.000 8.262 5.566) 9.962 13.733 ( 0.000 -3.566 6.847) 7.719 13.914 ( 0.000 -14.602 1.384) 14.668 15.219 ( 0.000 15.176 5.309) 16.078 15.282 ( 0.000 14.551 5.635) 15.604 15.314 ( 0.000 9.209 1.176) 9.283 15.346 ( 0.000 6.928 2.213) 7.272 15.642 ( 0.000 0.343 2.688) 2.710 15.793 ( 0.000 -2.855 4.417) 5.259 15.844 ( 0.000 -5.385 7.572) 9.292 15.927 ( 0.000 -18.662 6.581) 19.789 16.309 ( 0.000 11.065 6.000) 12.587 16.572 ( 0.000 -7.345 2.256) 7.684 16.701 ( 0.000 1.167 3.940) 4.109 16.969 ( 0.000 -17.834 2.894) 18.067 17.581 ( 0.000 2.661 8.825) 9.217 17.589 ( 0.000 1.970 7.939) 8.180 17.791 ( 0.000 -1.853 11.024) 11.178 17.804 ( 0.000 -2.100 10.439) 10.649 18.390 ( 0.000 6.095 -2.146) 6.462 18.450 ( 0.000 0.130 -6.662) 6.663 18.909 ( 0.000 -1.374 -19.339) 19.388 18.929 ( 0.000 -2.826 -16.816) 17.052 20.541 ( 0.000 3.590 -3.489) 5.006 20.564 ( 0.000 1.079 -4.644) 4.767 20.699 ( 0.000 -1.739 -8.528) 8.703 20.730 ( 0.000 -4.518 -9.005) 10.075 21.460 ( 0.000 9.245 -18.226) 20.437 21.514 ( 0.000 6.127 -18.238) 19.240 21.914 ( 0.000 -5.385 -9.735) 11.126 21.937 ( 0.000 -10.376 -10.388) 14.682 23.299 ( 0.000 2.530 3.548) 4.357 23.355 ( 0.000 -3.116 1.720) 3.559 23.930 ( 0.000 1.618 3.819) 4.147 23.943 ( 0.000 0.230 1.820) 1.835 25.736 ( 0.000 4.251 3.391) 5.438 25.788 ( 0.000 2.556 2.271) 3.419 26.137 ( 0.000 -1.431 13.207) 13.284 26.344 ( 0.000 -18.805 10.701) 21.637 29.330 ( 0.000 9.115 -9.480) 13.151 29.417 ( 0.000 0.251 -6.957) 6.961 29.734 ( 0.000 13.040 -19.720) 23.641 29.879 ( 0.000 -2.230 -16.160) 16.313 33.277 ( 0.000 12.001 24.466) 27.251 33.471 ( 0.000 19.759 19.434) 27.714 33.555 ( 0.000 -14.538 25.994) 29.783 33.946 ( 0.000 -27.084 16.611) 31.772 ======================= Grid point 201 (74/105) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.673 ( 1.881 29.825 28.455) 41.264 5.905 ( -2.894 15.977 14.647) 21.867 6.193 ( 1.702 -15.331 19.327) 24.728 6.228 ( 2.693 -6.473 17.536) 18.886 6.445 ( 0.119 1.811 25.229) 25.294 6.809 ( 2.669 -19.980 17.032) 26.389 7.042 ( -13.492 11.043 20.853) 27.182 7.248 ( -6.869 -8.733 13.083) 17.164 7.759 ( 5.262 5.025 -10.958) 13.154 7.814 ( 3.599 -1.298 -7.976) 8.846 8.111 ( 2.140 1.968 -1.459) 3.253 8.158 ( -0.173 -1.469 -7.449) 7.594 8.595 ( 2.924 19.720 0.810) 19.952 8.790 ( -0.118 2.748 -25.439) 25.587 8.881 ( 0.693 8.505 -8.621) 12.130 9.130 ( 2.804 -10.854 -13.943) 17.891 9.381 ( -2.454 6.699 -2.279) 7.490 9.415 ( -0.225 9.430 7.405) 11.992 9.693 ( -11.765 -0.811 -15.360) 19.365 9.780 ( -4.231 4.285 -0.490) 6.042 10.054 ( -0.945 6.978 19.324) 20.568 10.321 ( 2.107 -2.869 12.429) 12.929 10.379 ( 5.674 -5.297 4.191) 8.822 10.451 ( 8.491 -3.821 2.313) 9.594 10.705 ( 3.581 6.829 -1.649) 7.885 10.849 ( 3.970 -7.945 -5.024) 10.204 11.105 ( -2.777 3.199 -8.457) 9.458 11.168 ( -2.469 -2.308 -5.407) 6.376 11.382 ( 3.161 11.079 -19.399) 22.562 11.725 ( -0.028 -19.036 -15.807) 24.744 11.766 ( 1.616 0.976 -12.719) 12.859 11.820 ( -2.454 -4.880 -12.870) 13.981 12.124 ( 6.045 10.019 -9.169) 14.866 12.428 ( 2.814 -15.780 -10.384) 19.098 12.638 ( -5.058 9.970 -12.970) 17.123 12.915 ( -6.705 -15.075 -11.874) 20.328 13.578 ( 0.173 4.552 10.251) 11.218 13.599 ( -0.274 7.861 6.440) 10.166 13.722 ( -0.788 -4.702 7.052) 8.512 13.870 ( -3.985 -13.290 2.523) 14.102 15.243 ( 2.022 15.906 5.627) 16.993 15.289 ( 0.865 13.838 5.650) 14.972 15.329 ( 1.561 11.827 0.842) 11.959 15.388 ( 2.960 6.567 2.495) 7.623 15.634 ( -0.236 -0.618 4.024) 4.078 15.761 ( -1.994 -2.797 5.004) 6.069 15.874 ( 1.663 -7.601 6.094) 9.883 15.919 ( -0.983 -18.288 4.634) 18.891 16.324 ( 1.536 11.452 5.530) 12.810 16.575 ( -0.897 1.771 -1.551) 2.519 16.658 ( -2.348 -7.391 8.836) 11.757 16.919 ( -4.547 -18.163 3.443) 19.037 17.606 ( 2.426 3.437 8.742) 9.701 17.630 ( 3.266 1.109 7.983) 8.696 17.787 ( -0.450 -2.040 10.721) 10.922 17.795 ( -0.903 -1.976 10.254) 10.481 18.426 ( 3.500 6.334 -3.002) 7.835 18.481 ( 2.933 0.973 -7.078) 7.723 18.860 ( -4.460 -2.094 -17.798) 18.467 18.880 ( -4.630 -3.458 -14.821) 15.908 20.546 ( 0.547 3.462 -4.600) 5.783 20.567 ( 0.318 1.432 -5.933) 6.111 20.683 ( -1.407 -2.136 -7.983) 8.383 20.709 ( -1.892 -4.302 -8.717) 9.903 21.477 ( 1.739 10.257 -17.969) 20.764 21.534 ( 1.645 7.283 -17.832) 19.333 21.867 ( -3.830 -7.793 -10.660) 13.749 21.899 ( -3.362 -10.532 -11.310) 15.816 23.388 ( 8.236 3.693 4.278) 9.989 23.462 ( 9.223 -3.659 2.103) 10.143 23.893 ( -3.727 2.246 4.189) 6.040 23.918 ( -2.615 -0.331 2.025) 3.324 25.756 ( 2.074 5.603 3.997) 7.188 25.824 ( 3.138 3.251 2.879) 5.358 26.109 ( -2.379 -4.060 11.885) 12.783 26.299 ( -4.277 -18.573 9.680) 21.377 29.366 ( 3.505 9.779 -10.262) 14.602 29.463 ( 4.357 -0.111 -7.793) 8.929 29.694 ( -3.763 12.791 -18.686) 22.955 29.837 ( -4.023 -2.167 -15.305) 15.972 33.292 ( 1.457 12.643 24.112) 27.264 33.450 ( -2.052 19.597 20.162) 28.192 33.582 ( 2.757 -16.237 25.036) 29.968 33.900 ( -4.344 -25.724 17.591) 31.465 ======================= Grid point 202 (75/105) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.733 ( 3.939 26.443 25.015) 36.612 5.824 ( -4.714 21.450 19.882) 29.625 6.223 ( 2.460 -21.587 15.472) 26.673 6.276 ( -1.126 -24.003 18.508) 30.330 6.510 ( 8.361 20.657 24.347) 33.006 6.743 ( -12.983 17.367 21.959) 30.860 6.916 ( 5.785 -18.726 15.036) 24.703 7.075 ( -9.025 -14.900 13.190) 21.851 7.896 ( 7.477 3.816 -9.286) 12.518 7.911 ( 5.847 1.862 -5.961) 8.555 8.071 ( -5.637 -0.339 -0.920) 5.721 8.075 ( -6.488 0.335 -8.461) 10.667 8.771 ( 12.536 12.805 -6.470) 19.052 8.833 ( 4.873 3.828 -16.012) 17.169 8.902 ( -1.129 11.231 -17.312) 20.666 9.035 ( -10.974 3.679 -6.704) 13.375 9.347 ( 0.554 5.433 -9.224) 10.719 9.411 ( -3.590 7.429 -8.717) 12.003 9.573 ( 2.777 -10.956 -1.537) 11.407 9.686 ( -5.742 -12.677 -2.657) 14.168 10.103 ( 6.212 20.938 23.487) 32.072 10.259 ( -7.296 15.656 18.646) 25.417 10.466 ( 3.769 -12.052 11.505) 17.082 10.523 ( -0.821 -8.875 10.447) 13.732 10.856 ( 8.495 6.055 -9.472) 14.091 10.953 ( 2.845 1.712 -8.377) 9.011 11.040 ( -1.603 -2.316 -6.697) 7.265 11.103 ( -3.904 -3.776 -5.028) 7.401 11.499 ( 8.270 7.209 -18.494) 21.503 11.672 ( -7.369 3.175 -13.965) 16.106 11.760 ( 1.897 -15.056 -14.406) 20.924 11.805 ( -1.379 -9.562 -15.674) 18.412 12.283 ( 9.168 8.464 -14.919) 19.449 12.459 ( -5.934 8.314 -16.425) 19.343 12.571 ( 4.915 -14.653 -9.770) 18.284 12.742 ( -9.578 -15.258 -11.287) 21.259 13.584 ( 0.501 5.972 9.449) 11.189 13.594 ( -0.362 6.827 8.341) 10.784 13.720 ( 1.141 -7.381 6.731) 10.054 13.778 ( -4.318 -10.264 4.927) 12.177 15.284 ( 1.740 17.018 5.855) 18.081 15.303 ( 0.049 16.636 5.796) 17.617 15.375 ( 2.608 9.916 1.718) 10.397 15.415 ( -0.779 7.968 2.319) 8.335 15.662 ( 3.078 -0.806 5.647) 6.482 15.723 ( -2.246 -0.389 5.610) 6.055 15.888 ( -0.150 -14.994 4.065) 15.536 15.894 ( -0.899 -17.793 0.930) 17.840 16.379 ( 4.159 12.600 4.307) 13.950 16.487 ( -6.007 12.707 1.249) 14.111 16.692 ( 4.552 -17.829 7.864) 20.011 16.805 ( -6.150 -18.307 5.184) 19.996 17.665 ( 2.905 4.086 8.679) 10.023 17.689 ( 1.492 2.472 8.070) 8.571 17.768 ( -1.044 -3.108 10.234) 10.746 17.774 ( -1.035 -3.057 9.729) 10.250 18.522 ( 5.252 7.747 -5.383) 10.797 18.553 ( 3.088 5.527 -7.736) 9.996 18.755 ( -4.632 -5.822 -13.639) 15.537 18.768 ( -5.281 -6.165 -12.161) 14.622 20.564 ( 1.124 3.595 -7.367) 8.274 20.575 ( 0.218 3.023 -8.538) 9.060 20.655 ( -0.877 -3.769 -6.470) 7.539 20.667 ( -1.886 -4.346 -7.415) 8.800 21.524 ( 2.552 12.273 -17.273) 21.342 21.557 ( -0.074 11.679 -17.170) 20.765 21.804 ( -1.312 -12.581 -12.307) 17.648 21.827 ( -3.062 -12.677 -12.598) 18.133 23.589 ( 10.461 4.441 5.132) 12.469 23.666 ( 9.795 -3.278 2.575) 10.645 23.777 ( -7.717 3.594 4.939) 9.842 23.831 ( -6.196 -1.755 2.438) 6.886 25.818 ( 3.753 8.489 5.559) 10.819 25.872 ( -0.104 9.386 5.513) 10.886 26.086 ( 1.850 -14.326 7.979) 16.502 26.185 ( -6.384 -17.934 7.538) 20.475 29.464 ( 5.878 11.218 -12.512) 17.803 29.572 ( 2.247 5.119 -10.865) 12.219 29.600 ( -1.401 6.060 -15.128) 16.357 29.725 ( -6.678 -1.915 -13.096) 14.825 33.335 ( 2.681 14.547 23.108) 27.437 33.395 ( -3.093 17.302 21.660) 27.894 33.666 ( 5.345 -18.906 22.767) 30.072 33.787 ( -6.277 -22.440 20.000) 30.707 ======================= Grid point 225 (76/105) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( 0.000 0.000 46.204) 46.204 5.402 ( 0.000 0.000 39.899) 39.899 5.713 ( 0.000 0.000 23.503) 23.503 6.077 ( 0.000 0.000 11.198) 11.198 6.609 ( 0.000 0.000 -0.286) 0.286 6.992 ( 0.000 0.000 -7.724) 7.724 7.123 ( 0.000 0.000 -32.088) 32.088 7.191 ( 0.000 0.000 6.107) 6.107 7.285 ( 0.000 0.000 -2.066) 2.066 7.553 ( 0.000 0.000 -22.066) 22.066 7.612 ( 0.000 0.000 -4.191) 4.191 7.728 ( 0.000 0.000 14.238) 14.238 7.991 ( 0.000 0.000 -15.478) 15.478 8.445 ( 0.000 0.000 -25.472) 25.472 8.708 ( 0.000 0.000 9.829) 9.829 8.820 ( 0.000 0.000 -2.800) 2.800 9.094 ( 0.000 0.000 -2.715) 2.715 9.123 ( 0.000 0.000 21.293) 21.293 9.603 ( 0.000 0.000 -6.399) 6.399 9.684 ( 0.000 0.000 -13.608) 13.608 9.846 ( 0.000 0.000 2.627) 2.627 9.957 ( 0.000 0.000 -0.888) 0.888 10.041 ( 0.000 0.000 -10.347) 10.347 10.273 ( 0.000 0.000 -11.155) 11.155 10.459 ( 0.000 0.000 18.719) 18.719 11.041 ( 0.000 0.000 -6.990) 6.990 11.066 ( 0.000 0.000 -16.988) 16.988 11.201 ( 0.000 0.000 -13.498) 13.498 11.419 ( 0.000 0.000 23.492) 23.492 11.775 ( 0.000 0.000 17.245) 17.245 11.892 ( 0.000 0.000 2.957) 2.957 11.918 ( 0.000 0.000 1.958) 1.958 12.674 ( 0.000 0.000 -1.902) 1.902 12.748 ( 0.000 0.000 -1.098) 1.098 13.619 ( 0.000 0.000 12.047) 12.047 13.774 ( 0.000 0.000 6.072) 6.072 13.833 ( 0.000 0.000 1.282) 1.282 13.841 ( 0.000 0.000 1.720) 1.720 14.008 ( 0.000 0.000 -3.018) 3.018 14.046 ( 0.000 0.000 -3.484) 3.484 14.158 ( 0.000 0.000 -8.558) 8.558 14.313 ( 0.000 0.000 -7.987) 7.987 14.530 ( 0.000 0.000 -0.811) 0.811 14.535 ( 0.000 0.000 -7.153) 7.153 15.389 ( 0.000 0.000 3.163) 3.163 15.404 ( 0.000 0.000 2.063) 2.063 16.185 ( 0.000 0.000 3.342) 3.342 16.242 ( 0.000 0.000 0.498) 0.498 16.424 ( 0.000 0.000 -8.633) 8.633 16.529 ( 0.000 0.000 -9.917) 9.917 17.297 ( 0.000 0.000 5.649) 5.649 17.354 ( 0.000 0.000 2.411) 2.411 17.694 ( 0.000 0.000 11.520) 11.520 17.736 ( 0.000 0.000 7.668) 7.668 17.823 ( 0.000 0.000 4.622) 4.622 18.046 ( 0.000 0.000 -5.404) 5.404 18.407 ( 0.000 0.000 -4.417) 4.417 18.719 ( 0.000 0.000 -14.573) 14.573 19.039 ( 0.000 0.000 1.695) 1.695 19.095 ( 0.000 0.000 2.088) 2.088 20.284 ( 0.000 0.000 -15.000) 15.000 20.314 ( 0.000 0.000 -2.275) 2.275 20.321 ( 0.000 0.000 -2.415) 2.415 20.468 ( 0.000 0.000 -20.994) 20.994 21.080 ( 0.000 0.000 2.289) 2.289 21.098 ( 0.000 0.000 1.262) 1.262 22.510 ( 0.000 0.000 15.508) 15.508 22.938 ( 0.000 0.000 -6.109) 6.109 23.548 ( 0.000 0.000 2.178) 2.178 23.616 ( 0.000 0.000 0.345) 0.345 23.849 ( 0.000 0.000 4.658) 4.658 24.036 ( 0.000 0.000 -4.913) 4.913 25.727 ( 0.000 0.000 0.474) 0.474 25.853 ( 0.000 0.000 -4.135) 4.135 27.212 ( 0.000 0.000 9.419) 9.419 27.530 ( 0.000 0.000 6.832) 6.832 27.657 ( 0.000 0.000 -15.631) 15.631 27.898 ( 0.000 0.000 -12.107) 12.107 28.937 ( 0.000 0.000 12.151) 12.151 29.333 ( 0.000 0.000 -8.044) 8.044 33.187 ( 0.000 0.000 14.185) 14.185 33.284 ( 0.000 0.000 9.518) 9.518 34.956 ( 0.000 0.000 22.409) 22.409 35.566 ( 0.000 0.000 -10.309) 10.309 ======================= Grid point 226 (77/105) ======================= q-point: ( 0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.153 ( 5.223 0.000 42.704) 43.022 5.461 ( 5.717 0.000 37.387) 37.821 5.634 ( -7.113 0.000 22.810) 23.893 6.009 ( -6.546 0.000 13.352) 14.871 6.681 ( 7.059 0.000 2.178) 7.387 7.008 ( 1.316 0.000 -4.393) 4.586 7.093 ( -0.831 0.000 -11.062) 11.093 7.222 ( -4.411 0.000 -0.555) 4.446 7.303 ( 8.414 0.000 -21.552) 23.136 7.424 ( -8.555 0.000 -9.116) 12.502 7.585 ( -12.136 0.000 10.789) 16.238 7.734 ( 10.085 0.000 -11.874) 15.579 8.015 ( -2.422 0.000 -20.802) 20.943 8.408 ( -5.257 0.000 -27.448) 27.947 8.741 ( 6.178 0.000 17.552) 18.607 8.916 ( 8.184 0.000 -1.284) 8.284 9.166 ( 7.866 0.000 2.106) 8.143 9.258 ( 12.130 0.000 17.025) 20.904 9.619 ( -1.879 0.000 0.757) 2.026 9.717 ( 1.099 0.000 -4.175) 4.318 9.793 ( -4.707 0.000 -0.336) 4.719 9.940 ( 1.388 0.000 -4.842) 5.037 10.014 ( -1.234 0.000 -16.369) 16.416 10.247 ( -2.569 0.000 -12.416) 12.679 10.296 ( -14.163 0.000 16.007) 21.373 10.840 ( -16.713 0.000 -12.031) 20.593 11.056 ( 1.486 0.000 -7.861) 8.000 11.189 ( -1.185 0.000 -13.298) 13.351 11.594 ( 11.850 0.000 19.309) 22.655 11.846 ( 5.019 0.000 18.018) 18.704 11.885 ( -0.607 0.000 2.492) 2.565 11.905 ( -1.175 0.000 1.710) 2.075 12.686 ( 1.277 0.000 -1.522) 1.987 12.759 ( 0.618 0.000 -1.993) 2.086 13.643 ( 2.647 0.000 9.475) 9.838 13.840 ( 0.714 0.000 1.380) 1.554 13.849 ( 6.456 0.000 4.194) 7.699 13.851 ( 0.764 0.000 1.413) 1.606 14.009 ( 0.200 0.000 -2.716) 2.724 14.042 ( -0.397 0.000 -3.112) 3.137 14.071 ( -6.923 0.000 -6.553) 9.532 14.263 ( -4.348 0.000 -6.856) 8.119 14.525 ( -0.072 0.000 -2.093) 2.094 14.567 ( 1.245 0.000 -6.054) 6.181 15.387 ( -0.114 0.000 3.430) 3.432 15.403 ( -0.117 0.000 2.223) 2.227 16.195 ( 0.935 0.000 3.262) 3.393 16.242 ( -0.026 0.000 0.961) 0.961 16.423 ( 0.043 0.000 -8.936) 8.936 16.510 ( -1.722 0.000 -10.022) 10.169 17.294 ( -0.151 0.000 5.077) 5.079 17.342 ( -1.082 0.000 2.508) 2.732 17.705 ( 1.097 0.000 10.830) 10.885 17.768 ( 3.039 0.000 6.405) 7.089 17.808 ( -1.351 0.000 5.294) 5.463 18.022 ( -2.379 0.000 -3.869) 4.542 18.435 ( 2.683 0.000 -6.355) 6.898 18.683 ( -3.296 0.000 -13.522) 13.918 19.035 ( -0.265 0.000 2.190) 2.206 19.086 ( -0.970 0.000 2.053) 2.271 20.298 ( 1.386 0.000 -15.732) 15.793 20.320 ( 0.534 0.000 -2.221) 2.284 20.326 ( 0.431 0.000 -2.387) 2.425 20.448 ( -1.952 0.000 -20.585) 20.677 21.079 ( -0.055 0.000 2.187) 2.188 21.094 ( -0.376 0.000 1.349) 1.401 22.589 ( 7.484 0.000 15.669) 17.364 22.987 ( 3.339 0.000 -3.228) 4.644 23.522 ( -1.301 0.000 3.585) 3.814 23.639 ( 1.768 0.000 -1.135) 2.101 23.802 ( -3.947 0.000 3.640) 5.369 23.962 ( -6.884 0.000 -4.781) 8.381 25.792 ( 5.371 0.000 -1.118) 5.486 25.878 ( 2.139 0.000 -3.844) 4.399 27.224 ( 1.600 0.000 7.098) 7.276 27.558 ( 2.701 0.000 5.706) 6.312 27.595 ( -5.859 0.000 -13.788) 14.982 27.851 ( -4.248 0.000 -8.977) 9.931 28.986 ( 4.485 0.000 8.900) 9.966 29.302 ( -2.987 0.000 -6.799) 7.426 33.204 ( 1.609 0.000 13.974) 14.066 33.286 ( 0.007 0.000 10.112) 10.112 34.989 ( 3.448 0.000 19.585) 19.886 35.484 ( -7.620 0.000 -6.827) 10.231 ======================= Grid point 227 (78/105) ======================= q-point: ( 0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.289 ( 7.911 0.000 33.763) 34.678 5.463 ( -9.001 0.000 25.316) 26.869 5.622 ( 9.728 0.000 30.420) 31.938 5.831 ( -10.333 0.000 20.972) 23.379 6.871 ( 10.382 0.000 5.475) 11.737 7.016 ( -2.386 0.000 4.232) 4.858 7.115 ( 3.419 0.000 -7.374) 8.128 7.169 ( 1.133 0.000 -3.120) 3.319 7.233 ( -7.755 0.000 -9.613) 12.351 7.317 ( -12.403 0.000 3.883) 12.997 7.556 ( 13.968 0.000 -19.634) 24.096 7.843 ( -12.987 0.000 -21.859) 25.426 7.972 ( 12.739 0.000 -21.346) 24.858 8.226 ( -11.749 0.000 -27.124) 29.559 8.954 ( 12.276 0.000 23.033) 26.100 9.075 ( 3.723 0.000 11.867) 12.438 9.391 ( 12.918 0.000 6.772) 14.586 9.510 ( -3.807 0.000 1.693) 4.167 9.539 ( 7.822 0.000 7.177) 10.615 9.632 ( -9.504 0.000 7.440) 12.070 9.653 ( -0.850 0.000 4.014) 4.103 9.948 ( -16.737 0.000 12.022) 20.607 10.057 ( 5.102 0.000 -21.493) 22.090 10.140 ( 13.838 0.000 -12.895) 18.915 10.169 ( -5.086 0.000 -16.209) 16.988 10.480 ( -18.140 0.000 -13.077) 22.362 11.100 ( 2.665 0.000 -10.041) 10.389 11.153 ( -2.359 0.000 -12.224) 12.450 11.807 ( 8.251 0.000 20.302) 21.914 11.874 ( -0.226 0.000 1.672) 1.688 11.881 ( -0.923 0.000 1.396) 1.674 11.901 ( -0.697 0.000 19.779) 19.792 12.722 ( 2.036 0.000 -1.547) 2.557 12.756 ( -1.053 0.000 -2.293) 2.524 13.734 ( 6.319 0.000 3.251) 7.106 13.857 ( 0.725 0.000 1.230) 1.428 13.863 ( 0.213 0.000 1.131) 1.151 13.881 ( -7.027 0.000 -1.843) 7.264 14.017 ( 0.558 0.000 -2.244) 2.312 14.030 ( -0.707 0.000 -2.421) 2.522 14.034 ( 6.528 0.000 -0.803) 6.578 14.162 ( -5.509 0.000 -4.108) 6.872 14.529 ( 0.834 0.000 -2.642) 2.770 14.560 ( -1.635 0.000 -4.735) 5.009 15.389 ( 0.306 0.000 3.585) 3.598 15.397 ( -0.463 0.000 2.994) 3.030 16.218 ( 1.168 0.000 2.878) 3.106 16.237 ( -0.600 0.000 2.000) 2.088 16.434 ( 1.152 0.000 -9.643) 9.711 16.468 ( -2.125 0.000 -10.066) 10.288 17.297 ( 0.524 0.000 3.844) 3.880 17.316 ( -1.282 0.000 2.890) 3.162 17.735 ( 1.776 0.000 9.116) 9.288 17.774 ( -1.942 0.000 7.026) 7.290 17.851 ( 4.869 0.000 3.086) 5.765 17.950 ( -4.556 0.000 -0.724) 4.613 18.509 ( 4.332 0.000 -9.375) 10.327 18.600 ( -4.533 0.000 -11.553) 12.410 19.037 ( 0.610 0.000 2.762) 2.828 19.059 ( -1.437 0.000 2.432) 2.825 20.331 ( 0.429 0.000 -2.192) 2.233 20.334 ( 0.171 0.000 -2.283) 2.289 20.339 ( 2.564 0.000 -17.490) 17.677 20.396 ( -2.902 0.000 -19.343) 19.560 21.079 ( 0.135 0.000 1.918) 1.923 21.085 ( -0.406 0.000 1.594) 1.645 22.786 ( 11.004 0.000 14.548) 18.241 22.976 ( -5.929 0.000 7.695) 9.714 23.565 ( 6.485 0.000 -0.248) 6.490 23.677 ( 1.358 0.000 -3.896) 4.126 23.719 ( -3.722 0.000 2.886) 4.710 23.789 ( -8.743 0.000 -4.241) 9.717 25.892 ( 3.513 0.000 -2.856) 4.528 25.916 ( 0.955 0.000 -3.428) 3.559 27.295 ( 5.635 0.000 0.249) 5.641 27.443 ( -8.307 0.000 -8.138) 11.629 27.635 ( 4.856 0.000 2.373) 5.405 27.745 ( -5.725 0.000 -2.910) 6.422 29.098 ( 6.133 0.000 2.515) 6.629 29.217 ( -5.294 0.000 -3.155) 6.163 33.244 ( 2.047 0.000 13.156) 13.315 33.277 ( -1.046 0.000 11.631) 11.678 35.103 ( 7.772 0.000 11.881) 14.197 35.292 ( -10.343 0.000 1.829) 10.504 ======================= Grid point 230 (79/105) ======================= q-point: ( 0.00 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.173 ( 0.000 7.851 44.862) 45.544 5.573 ( 0.000 16.333 38.345) 41.678 5.743 ( 0.000 3.230 23.000) 23.226 6.273 ( 0.000 18.761 11.285) 21.894 6.653 ( 0.000 3.935 -1.848) 4.347 7.123 ( 0.000 7.394 -19.276) 20.646 7.131 ( 0.000 4.929 -19.428) 20.043 7.215 ( 0.000 2.402 2.718) 3.628 7.300 ( 0.000 2.817 2.436) 3.724 7.557 ( 0.000 0.950 -17.401) 17.427 7.679 ( 0.000 5.888 -0.700) 5.929 7.717 ( 0.000 -0.357 8.253) 8.260 8.012 ( 0.000 1.752 -11.732) 11.862 8.292 ( 0.000 -11.367 -17.322) 20.718 8.804 ( 0.000 8.643 6.737) 10.958 8.868 ( 0.000 1.514 -4.677) 4.916 9.160 ( 0.000 6.459 -6.982) 9.511 9.190 ( 0.000 6.753 22.412) 23.408 9.507 ( 0.000 -13.085 -2.530) 13.327 9.616 ( 0.000 0.686 -7.005) 7.039 9.880 ( 0.000 0.436 -21.844) 21.848 9.923 ( 0.000 -2.032 -5.464) 5.830 10.122 ( 0.000 6.705 1.195) 6.811 10.329 ( 0.000 4.781 -9.009) 10.199 10.489 ( 0.000 3.430 18.469) 18.785 10.991 ( 0.000 -3.984 -5.997) 7.200 11.056 ( 0.000 -2.272 -15.272) 15.440 11.117 ( 0.000 -5.310 -10.878) 12.105 11.413 ( 0.000 -1.042 22.152) 22.176 11.734 ( 0.000 -2.864 7.451) 7.983 11.938 ( 0.000 1.834 2.386) 3.010 11.963 ( 0.000 4.327 11.144) 11.955 12.559 ( 0.000 -11.173 -4.812) 12.165 12.649 ( 0.000 -9.835 -6.703) 11.902 13.489 ( 0.000 -17.624 2.900) 17.861 13.577 ( 0.000 -3.353 14.010) 14.406 13.787 ( 0.000 -15.163 -5.859) 16.256 13.872 ( 0.000 -3.164 1.361) 3.444 13.904 ( 0.000 4.355 -1.213) 4.521 14.206 ( 0.000 16.596 5.610) 17.518 14.381 ( 0.000 0.568 -18.398) 18.406 14.403 ( 0.000 15.057 -3.630) 15.488 14.556 ( 0.000 6.688 0.652) 6.720 14.579 ( 0.000 5.396 0.188) 5.399 15.441 ( 0.000 5.249 3.403) 6.255 15.464 ( 0.000 6.069 2.528) 6.574 16.200 ( 0.000 -3.748 0.894) 3.854 16.202 ( 0.000 1.596 1.229) 2.015 16.424 ( 0.000 -0.819 -7.046) 7.094 16.525 ( 0.000 -0.953 -9.293) 9.342 17.336 ( 0.000 4.022 4.847) 6.298 17.388 ( 0.000 3.341 1.992) 3.890 17.709 ( 0.000 -2.631 8.086) 8.503 17.760 ( 0.000 6.265 10.313) 12.067 17.840 ( 0.000 -0.536 4.882) 4.912 17.978 ( 0.000 -4.777 -2.118) 5.226 18.401 ( 0.000 -0.725 -5.645) 5.691 18.648 ( 0.000 -7.581 -12.301) 14.449 18.966 ( 0.000 -6.709 -0.227) 6.713 19.012 ( 0.000 -8.031 0.628) 8.055 20.253 ( 0.000 -0.074 -5.488) 5.489 20.330 ( 0.000 1.662 -2.517) 3.016 20.439 ( 0.000 8.843 -11.824) 14.765 20.513 ( 0.000 4.475 -20.143) 20.634 21.042 ( 0.000 -3.736 2.313) 4.394 21.063 ( 0.000 -3.457 1.112) 3.632 22.448 ( 0.000 -6.373 13.970) 15.355 22.879 ( 0.000 -7.456 -7.271) 10.415 23.506 ( 0.000 -3.568 0.215) 3.574 23.513 ( 0.000 -9.782 1.316) 9.870 23.868 ( 0.000 1.832 4.328) 4.700 23.960 ( 0.000 -4.232 -0.953) 4.338 25.706 ( 0.000 -1.772 0.813) 1.950 25.815 ( 0.000 -3.360 -3.155) 4.609 27.109 ( 0.000 -9.571 10.214) 13.997 27.529 ( 0.000 -10.946 -8.988) 14.163 27.839 ( 0.000 26.816 -1.535) 26.860 28.084 ( 0.000 17.253 -10.723) 20.314 29.012 ( 0.000 6.981 9.350) 11.668 29.385 ( 0.000 4.928 -8.758) 10.050 33.208 ( 0.000 2.313 13.911) 14.102 33.292 ( 0.000 0.926 9.924) 9.967 34.871 ( 0.000 -8.575 21.820) 23.444 35.438 ( 0.000 -12.759 -8.418) 15.286 ======================= Grid point 231 (80/105) ======================= q-point: ( 0.20 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.221 ( 4.547 7.094 41.528) 42.374 5.633 ( 5.733 16.316 35.793) 39.752 5.668 ( -6.645 3.769 22.738) 23.987 6.200 ( -6.953 18.338 13.214) 23.649 6.716 ( 6.438 2.813 0.920) 7.086 7.113 ( -0.370 3.805 -9.287) 10.043 7.138 ( 0.047 10.357 -6.418) 12.184 7.272 ( 0.607 4.702 -3.027) 5.625 7.309 ( 4.521 0.185 -15.534) 16.179 7.441 ( -6.880 2.326 -6.833) 9.972 7.617 ( -9.020 3.937 7.593) 12.430 7.738 ( 5.121 1.419 -7.973) 9.581 8.062 ( 0.092 3.587 -17.825) 18.183 8.278 ( -2.242 -10.371 -22.318) 24.712 8.740 ( 2.928 -1.561 8.761) 9.368 8.993 ( -1.116 4.913 -2.654) 5.694 9.161 ( 12.714 3.062 10.453) 16.742 9.325 ( 6.561 2.665 9.244) 11.645 9.505 ( 0.131 -8.000 2.975) 8.536 9.654 ( -0.737 -1.855 -1.802) 2.689 9.872 ( 1.573 0.051 -17.664) 17.734 9.974 ( 4.080 6.986 -8.118) 11.461 10.080 ( -2.473 5.223 -5.061) 7.682 10.239 ( -9.698 1.403 0.596) 9.817 10.394 ( -6.389 7.627 5.642) 11.438 10.836 ( -13.639 0.039 -9.646) 16.706 11.052 ( 1.004 -0.527 -9.057) 9.128 11.123 ( 0.524 -5.470 -10.137) 11.531 11.547 ( 9.270 -4.505 17.002) 19.882 11.748 ( 0.822 -5.307 6.123) 8.145 11.929 ( -0.440 2.376 3.920) 4.605 11.984 ( 1.438 4.130 12.282) 13.037 12.583 ( 2.175 -10.377 -4.991) 11.718 12.657 ( 0.642 -9.918 -6.610) 11.936 13.499 ( 1.252 -16.140 3.889) 16.649 13.630 ( 4.644 -6.065 9.271) 12.012 13.743 ( -4.090 -15.736 -5.432) 17.142 13.851 ( -1.926 -3.787 1.822) 4.622 13.907 ( 0.664 2.741 -1.669) 3.278 14.217 ( -2.451 11.175 -1.853) 11.590 14.272 ( -2.458 8.946 -3.049) 9.766 14.425 ( -1.375 14.196 -4.397) 14.925 14.574 ( 2.186 5.591 -1.952) 6.312 14.622 ( 2.356 7.091 -1.872) 7.703 15.439 ( -0.029 5.326 3.709) 6.490 15.464 ( -0.130 6.084 2.535) 6.593 16.205 ( 0.843 -1.486 1.573) 2.323 16.219 ( 1.119 0.160 1.077) 1.561 16.418 ( -0.377 -1.009 -7.458) 7.535 16.501 ( -2.135 -1.313 -9.317) 9.649 17.332 ( -0.234 3.760 4.533) 5.894 17.378 ( -0.928 3.555 2.124) 4.244 17.718 ( 0.959 -3.849 7.510) 8.493 17.764 ( 0.386 5.382 10.140) 11.487 17.848 ( 0.736 0.765 4.302) 4.431 17.957 ( -1.973 -4.244 -2.017) 5.096 18.427 ( 2.447 -0.957 -6.513) 7.023 18.623 ( -2.268 -6.399 -11.511) 13.364 18.958 ( -0.638 -7.126 0.429) 7.168 18.999 ( -1.208 -8.289 0.752) 8.410 20.265 ( 1.162 -0.103 -5.762) 5.879 20.332 ( 0.075 1.345 -2.767) 3.078 20.440 ( 0.183 8.357 -12.174) 14.768 20.496 ( -1.467 4.658 -19.371) 19.977 21.044 ( 0.200 -3.542 2.227) 4.189 21.062 ( -0.087 -2.952 1.181) 3.181 22.511 ( 5.939 -8.012 13.669) 16.920 22.885 ( -0.401 -11.356 -3.959) 12.033 23.485 ( 0.984 -3.628 3.033) 4.831 23.578 ( 3.755 -4.883 -2.302) 6.576 23.820 ( -4.231 1.819 3.870) 6.016 23.913 ( -4.546 -2.495 -1.499) 5.398 25.759 ( 4.489 -2.734 0.013) 5.256 25.840 ( 2.110 -3.353 -2.846) 4.878 27.115 ( 1.001 -9.944 8.183) 12.917 27.468 ( -5.843 -11.363 -8.716) 15.467 27.854 ( 1.621 26.397 -0.621) 26.454 28.056 ( -2.640 18.458 -8.988) 20.699 29.056 ( 4.084 6.588 6.704) 10.248 29.355 ( -2.882 5.022 -7.547) 9.512 33.223 ( 1.407 2.091 13.749) 13.978 33.294 ( 0.047 0.956 10.441) 10.485 34.902 ( 3.217 -8.793 19.184) 21.347 35.362 ( -7.069 -12.176 -5.240) 15.023 ======================= Grid point 232 (81/105) ======================= q-point: ( 0.40 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.343 ( 7.221 5.612 32.993) 34.237 5.505 ( -8.521 4.399 24.872) 26.656 5.798 ( 9.948 16.892 29.889) 35.744 6.014 ( -10.691 17.485 20.919) 29.286 6.904 ( 11.341 1.975 3.585) 12.057 7.098 ( -4.720 4.661 1.273) 6.754 7.128 ( 1.232 4.054 -3.430) 5.451 7.199 ( -5.380 3.077 -2.391) 6.643 7.333 ( -1.118 10.245 -7.588) 12.798 7.379 ( -5.596 6.674 1.256) 8.800 7.577 ( 11.195 2.491 -16.014) 19.698 7.800 ( -5.235 -2.906 -17.101) 18.119 8.013 ( 2.555 3.019 -21.637) 21.996 8.166 ( -8.480 -5.050 -25.875) 27.693 8.921 ( 10.860 -6.145 13.194) 18.160 9.004 ( 1.895 -5.559 7.497) 9.524 9.347 ( -0.615 -6.434 5.412) 8.429 9.408 ( -1.742 -2.674 12.532) 12.932 9.565 ( 9.467 3.801 -2.588) 10.525 9.649 ( 8.771 2.937 8.574) 12.613 9.832 ( -9.953 10.187 4.502) 14.937 9.898 ( -12.456 -0.902 2.629) 12.763 10.108 ( 5.202 3.402 -12.142) 13.640 10.206 ( 7.381 5.681 -15.054) 17.702 10.280 ( -1.743 10.194 -8.527) 13.404 10.528 ( -15.759 5.352 -11.365) 20.153 11.086 ( 2.033 -1.225 -9.381) 9.676 11.120 ( -0.985 -2.994 -10.280) 10.752 11.698 ( 4.807 -7.629 10.712) 14.002 11.750 ( -0.896 -7.250 5.402) 9.086 11.944 ( 2.245 3.141 9.532) 10.284 11.991 ( -1.290 3.089 14.085) 14.477 12.632 ( 2.228 -9.331 -5.406) 11.012 12.661 ( -0.545 -9.515 -6.123) 11.328 13.548 ( 3.692 -16.663 0.834) 17.087 13.642 ( -5.237 -17.330 -3.724) 18.483 13.731 ( 4.402 -6.426 5.340) 9.444 13.802 ( -2.827 -5.494 3.069) 6.899 13.952 ( 4.310 1.177 -4.192) 6.127 14.079 ( -7.599 1.886 -7.597) 10.910 14.320 ( 3.526 15.983 4.021) 16.854 14.383 ( -2.555 15.210 1.298) 15.478 14.617 ( 1.909 8.731 -3.036) 9.438 14.643 ( -0.359 8.496 -3.073) 9.042 15.444 ( 0.507 5.622 3.783) 6.795 15.456 ( -0.606 5.970 3.129) 6.767 16.228 ( 1.058 -0.306 2.091) 2.363 16.236 ( 0.339 0.635 1.746) 1.888 16.419 ( 0.705 -1.633 -8.523) 8.706 16.451 ( -2.386 -1.911 -9.215) 9.709 17.333 ( 0.494 3.357 3.520) 4.890 17.353 ( -1.350 3.486 2.548) 4.524 17.747 ( 1.636 -3.711 7.534) 8.556 17.768 ( -0.290 1.570 9.306) 9.442 17.868 ( 1.329 1.752 2.064) 3.016 17.908 ( -2.532 -1.570 -0.966) 3.132 18.492 ( 3.627 -1.909 -8.215) 9.181 18.564 ( -3.377 -3.897 -9.908) 11.170 18.951 ( 0.220 -8.070 1.354) 8.186 18.969 ( -1.448 -8.550 1.224) 8.758 20.296 ( 1.702 -0.092 -5.763) 6.009 20.325 ( -0.945 0.453 -4.158) 4.288 20.447 ( 0.549 7.207 -13.634) 15.431 20.465 ( -1.284 5.742 -16.742) 17.745 21.050 ( 0.363 -2.941 1.941) 3.542 21.058 ( -0.344 -2.539 1.499) 2.968 22.666 ( 8.607 -12.124 11.438) 18.759 22.823 ( -5.984 -15.141 4.877) 16.996 23.564 ( 6.346 -0.346 1.521) 6.535 23.654 ( 2.484 -0.986 -4.489) 5.225 23.722 ( -3.907 0.688 3.503) 5.292 23.792 ( -6.565 0.810 -2.187) 6.966 25.848 ( 3.407 -3.747 -1.069) 5.176 25.876 ( 0.692 -3.550 -2.077) 4.171 27.173 ( 5.084 -10.744 2.227) 12.093 27.315 ( -8.300 -11.283 -4.855) 14.825 27.907 ( 3.520 24.197 -1.617) 24.505 27.986 ( -3.976 21.208 -5.127) 22.178 29.160 ( 5.752 5.871 1.169) 8.302 29.273 ( -5.061 5.322 -4.061) 8.392 33.258 ( 1.789 1.591 13.075) 13.293 33.286 ( -0.888 1.149 11.763) 11.853 35.007 ( 7.240 -9.547 12.014) 16.968 35.184 ( -9.615 -10.839 2.711) 14.741 ======================= Grid point 235 (82/105) ======================= q-point: ( 0.00 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.403 ( 0.000 15.584 40.849) 43.721 5.840 ( 0.000 6.854 21.136) 22.219 5.970 ( 0.000 22.161 34.516) 41.018 6.661 ( 0.000 9.010 18.575) 20.645 6.787 ( 0.000 17.776 -10.987) 20.897 7.109 ( 0.000 -2.736 -16.155) 16.385 7.259 ( 0.000 0.845 -8.003) 8.047 7.302 ( 0.000 5.462 -2.969) 6.217 7.508 ( 0.000 15.927 -2.123) 16.068 7.616 ( 0.000 5.303 -8.597) 10.101 7.766 ( 0.000 7.334 -6.259) 9.642 7.786 ( 0.000 3.368 9.785) 10.348 8.031 ( 0.000 -0.844 -3.260) 3.368 8.138 ( 0.000 -0.907 -6.202) 6.268 8.857 ( 0.000 -2.025 -6.701) 7.000 8.966 ( 0.000 5.796 3.519) 6.781 9.271 ( 0.000 -5.844 6.322) 8.610 9.279 ( 0.000 3.699 -10.271) 10.917 9.396 ( 0.000 11.553 11.342) 16.190 9.598 ( 0.000 -2.032 -9.660) 9.871 9.854 ( 0.000 -2.824 -28.856) 28.994 9.945 ( 0.000 4.852 -9.930) 11.052 10.243 ( 0.000 4.837 5.254) 7.142 10.420 ( 0.000 3.691 -6.847) 7.779 10.610 ( 0.000 9.151 16.717) 19.058 10.943 ( 0.000 0.287 -4.095) 4.105 10.953 ( 0.000 -4.608 -7.902) 9.148 11.105 ( 0.000 1.879 -11.755) 11.904 11.364 ( 0.000 -4.065 20.339) 20.741 11.684 ( 0.000 -1.813 4.724) 5.060 11.976 ( 0.000 1.440 3.082) 3.401 11.977 ( 0.000 -4.520 11.303) 12.173 12.271 ( 0.000 -16.930 -12.217) 20.878 12.390 ( 0.000 -15.548 -12.584) 20.003 13.133 ( 0.000 -18.527 0.792) 18.544 13.408 ( 0.000 -15.428 -6.502) 16.742 13.598 ( 0.000 -2.106 13.256) 13.422 13.801 ( 0.000 -3.325 7.220) 7.949 13.947 ( 0.000 -0.482 -2.447) 2.494 14.275 ( 0.000 -8.555 -15.339) 17.563 14.571 ( 0.000 19.935 6.364) 20.926 14.719 ( 0.000 17.358 -0.480) 17.365 14.755 ( 0.000 12.538 1.690) 12.651 14.795 ( 0.000 14.532 -1.769) 14.639 15.587 ( 0.000 9.202 4.049) 10.053 15.631 ( 0.000 10.496 3.238) 10.984 16.112 ( 0.000 -5.050 2.883) 5.815 16.237 ( 0.000 1.611 -3.242) 3.620 16.368 ( 0.000 -4.930 -4.292) 6.537 16.467 ( 0.000 -5.297 -7.730) 9.371 17.449 ( 0.000 7.086 3.166) 7.761 17.477 ( 0.000 5.582 1.782) 5.860 17.620 ( 0.000 -6.932 6.496) 9.500 17.643 ( 0.000 -17.054 6.578) 18.278 17.919 ( 0.000 9.037 9.292) 12.961 18.008 ( 0.000 4.800 3.149) 5.741 18.369 ( 0.000 -2.834 -5.608) 6.283 18.431 ( 0.000 -13.065 -6.099) 14.418 18.816 ( 0.000 -8.012 -6.008) 10.014 18.824 ( 0.000 -9.621 -4.636) 10.680 20.290 ( 0.000 3.686 -1.445) 3.959 20.377 ( 0.000 3.132 -1.852) 3.639 20.637 ( 0.000 7.919 -17.931) 19.602 20.650 ( 0.000 12.616 -15.264) 19.802 20.942 ( 0.000 -6.257 2.078) 6.593 20.974 ( 0.000 -5.023 0.069) 5.023 22.268 ( 0.000 -11.669 8.470) 14.419 22.591 ( 0.000 -21.274 -6.865) 22.354 23.357 ( 0.000 -4.060 3.504) 5.363 23.440 ( 0.000 -2.711 -1.704) 3.202 23.913 ( 0.000 2.604 3.400) 4.283 23.929 ( 0.000 0.433 1.347) 1.414 25.682 ( 0.000 -0.092 1.278) 1.281 25.748 ( 0.000 -2.830 -1.283) 3.107 26.869 ( 0.000 -14.426 11.740) 18.600 27.236 ( 0.000 -18.067 -4.386) 18.592 28.450 ( 0.000 32.418 -8.056) 33.404 28.490 ( 0.000 22.502 -8.117) 23.921 29.171 ( 0.000 8.332 4.963) 9.699 29.502 ( 0.000 6.338 -10.285) 12.081 33.287 ( 0.000 6.141 13.061) 14.433 33.332 ( 0.000 3.523 11.032) 11.581 34.636 ( 0.000 -14.984 20.271) 25.208 35.095 ( 0.000 -21.490 -3.839) 21.830 ======================= Grid point 236 (83/105) ======================= q-point: ( 0.20 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.432 ( 2.796 14.410 37.815) 40.564 5.776 ( -5.785 7.599 20.893) 22.973 6.032 ( 6.052 22.172 32.819) 40.067 6.629 ( -6.068 20.470 17.168) 27.396 6.761 ( 1.930 3.022 -3.976) 5.354 7.176 ( 1.948 2.378 -12.601) 12.971 7.251 ( 2.234 -4.306 -3.723) 6.115 7.314 ( -1.633 3.703 -1.915) 4.478 7.463 ( -1.321 11.561 -3.577) 12.174 7.580 ( -0.110 13.921 -9.665) 16.947 7.757 ( -0.688 8.418 -3.582) 9.174 7.810 ( -1.226 6.452 6.078) 8.948 8.087 ( -1.734 -1.509 -7.299) 7.652 8.142 ( 4.837 -0.260 -17.091) 17.764 8.659 ( -6.156 -5.603 -2.535) 8.701 9.024 ( -10.756 -1.780 1.897) 11.066 9.219 ( 8.179 0.364 -2.841) 8.666 9.393 ( 7.409 3.343 -2.858) 8.616 9.422 ( -0.246 1.140 7.408) 7.500 9.614 ( 1.614 -0.345 0.645) 1.772 9.910 ( 8.005 4.580 -18.356) 20.543 10.119 ( 12.173 7.008 -15.138) 20.651 10.187 ( -5.393 5.162 4.738) 8.842 10.318 ( -9.138 6.291 1.376) 11.179 10.563 ( -4.089 9.192 7.400) 12.489 10.857 ( -6.751 1.705 -5.956) 9.163 11.011 ( 2.919 -1.586 -6.100) 6.946 11.078 ( -0.852 1.115 -8.906) 9.016 11.436 ( 5.546 -6.282 15.401) 17.533 11.656 ( -2.044 -3.861 2.205) 4.893 11.965 ( -0.244 -1.043 8.404) 8.472 11.997 ( 0.320 -2.200 7.226) 7.560 12.302 ( 2.872 -17.371 -11.551) 21.058 12.397 ( 0.576 -15.674 -12.089) 19.802 13.144 ( 1.019 -19.061 -0.220) 19.090 13.377 ( -3.504 -17.760 -8.178) 19.863 13.606 ( 1.428 -0.844 13.546) 13.648 13.777 ( -2.159 -2.908 6.996) 7.878 13.933 ( -0.775 -0.717 -2.418) 2.639 14.200 ( -6.439 -6.334 -12.658) 15.550 14.598 ( 2.426 19.290 6.492) 20.497 14.720 ( -1.264 15.203 2.607) 15.477 14.779 ( 3.746 14.971 -1.444) 15.500 14.834 ( 2.384 13.416 -2.010) 13.774 15.588 ( 0.215 9.343 4.320) 10.295 15.630 ( -0.190 10.354 3.155) 10.826 16.135 ( 2.249 -4.370 2.678) 5.597 16.248 ( 0.670 1.265 -2.316) 2.723 16.363 ( -0.338 -4.865 -5.005) 6.988 16.439 ( -2.531 -5.348 -7.592) 9.626 17.413 ( -2.640 1.805 4.218) 5.293 17.460 ( -1.942 3.146 1.899) 4.157 17.618 ( 0.849 -5.690 6.904) 8.987 17.682 ( 2.132 -10.483 4.185) 11.487 17.919 ( 0.235 8.024 7.805) 11.197 18.002 ( -0.632 4.917 2.834) 5.711 18.388 ( 1.760 -3.155 -5.253) 6.375 18.436 ( 0.479 -11.430 -5.435) 12.666 18.798 ( -1.543 -8.900 -5.370) 10.508 18.808 ( -1.515 -9.204 -4.391) 10.310 20.300 ( 0.957 3.469 -1.726) 3.991 20.375 ( -0.348 2.990 -1.862) 3.540 20.614 ( -1.561 6.927 -16.224) 17.710 20.638 ( -1.324 11.509 -15.847) 19.630 20.947 ( 1.001 -5.993 2.455) 6.554 20.996 ( 1.186 -3.070 -0.880) 3.407 22.288 ( 2.029 -14.076 7.308) 15.989 22.539 ( -4.474 -22.423 -4.379) 23.281 23.417 ( 5.683 -1.853 3.700) 7.029 23.520 ( 6.888 -1.175 -2.642) 7.470 23.868 ( -4.348 2.831 3.643) 6.340 23.902 ( -2.692 0.924 0.747) 2.943 25.715 ( 3.022 -1.015 1.386) 3.476 25.774 ( 2.225 -2.589 -1.017) 3.562 26.866 ( 0.188 -15.015 9.820) 17.942 27.175 ( -5.690 -17.922 -3.820) 19.188 28.449 ( 0.015 31.500 -7.065) 32.283 28.485 ( -0.516 23.718 -7.802) 24.974 29.208 ( 3.435 7.987 3.028) 9.207 29.474 ( -2.683 6.435 -9.138) 11.494 33.296 ( 0.829 5.715 13.053) 14.273 33.334 ( 0.177 3.614 11.327) 11.891 34.661 ( 2.622 -15.336 18.120) 23.882 35.034 ( -5.693 -20.605 -1.378) 21.421 ======================= Grid point 237 (84/105) ======================= q-point: ( 0.40 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.513 ( 5.221 11.876 30.286) 32.947 5.639 ( -7.001 9.457 23.280) 26.085 6.202 ( 10.365 22.133 28.069) 37.218 6.431 ( -11.599 22.604 20.731) 32.791 6.899 ( 10.141 -3.062 2.158) 10.811 7.103 ( -7.887 -2.483 -3.279) 8.895 7.244 ( -0.833 3.941 0.623) 4.076 7.287 ( -3.649 4.144 4.108) 6.882 7.545 ( 9.385 8.209 -7.404) 14.501 7.626 ( 2.417 18.291 -6.049) 19.416 7.718 ( -1.498 13.245 -2.542) 13.570 7.778 ( -3.923 2.170 -10.204) 11.146 8.030 ( 0.083 -1.614 -19.829) 19.895 8.127 ( -6.365 3.167 -25.534) 26.506 8.720 ( 9.269 -11.262 4.463) 15.254 8.877 ( -5.411 -6.122 7.293) 10.952 9.232 ( -0.055 -5.810 -7.477) 9.469 9.319 ( -7.361 -8.225 -5.773) 12.457 9.680 ( 15.822 8.913 5.175) 18.883 9.759 ( 11.376 6.289 9.972) 16.383 9.965 ( -8.812 8.835 7.984) 14.814 10.010 ( -12.546 7.554 7.103) 16.276 10.208 ( 6.390 7.019 -8.234) 12.566 10.333 ( 1.205 7.252 -13.040) 14.970 10.499 ( 2.917 10.624 -4.192) 11.788 10.677 ( -10.173 8.225 -8.365) 15.528 11.063 ( 1.959 -0.161 -6.138) 6.445 11.080 ( 0.188 0.047 -7.268) 7.271 11.544 ( 4.587 -7.630 7.372) 11.559 11.614 ( -2.422 -6.150 0.976) 6.681 11.964 ( 0.429 -2.014 9.527) 9.747 11.985 ( -1.244 -4.151 10.042) 10.937 12.367 ( 2.919 -16.810 -11.090) 20.349 12.402 ( -0.466 -15.978 -11.539) 19.715 13.183 ( 3.167 -19.805 -2.936) 20.271 13.275 ( -5.622 -19.462 -6.471) 21.266 13.661 ( 3.360 -1.326 9.991) 10.624 13.724 ( -2.901 -2.129 7.408) 8.236 13.948 ( 2.952 -1.745 -3.847) 5.153 14.055 ( -7.039 -3.774 -7.967) 11.281 14.652 ( 2.496 17.965 6.075) 19.128 14.692 ( -1.537 16.570 4.778) 17.313 14.847 ( 2.401 14.079 -2.245) 14.458 14.867 ( 0.508 13.498 -2.279) 13.698 15.599 ( 0.928 9.724 4.263) 10.658 15.619 ( -0.853 10.119 3.563) 10.761 16.195 ( 3.337 -2.661 1.782) 4.625 16.246 ( -1.225 -0.254 -0.013) 1.251 16.361 ( 0.235 -4.706 -6.262) 7.837 16.384 ( -2.254 -5.150 -7.266) 9.187 17.378 ( -0.199 -1.849 3.675) 4.119 17.407 ( -2.658 -0.748 2.370) 3.639 17.654 ( 2.394 -3.103 6.162) 7.303 17.695 ( -1.061 -4.691 4.754) 6.763 17.940 ( 1.843 5.799 4.007) 7.286 17.979 ( -1.659 4.978 2.408) 5.773 18.428 ( 1.748 -4.427 -4.689) 6.682 18.445 ( 0.071 -7.657 -4.625) 8.946 18.768 ( -0.900 -9.715 -4.296) 10.660 18.774 ( -1.400 -9.565 -3.804) 10.388 20.327 ( 1.594 3.048 -2.245) 4.107 20.358 ( -1.319 2.841 -2.191) 3.822 20.594 ( -0.155 6.742 -15.075) 16.514 20.608 ( -1.333 8.608 -14.894) 17.254 20.978 ( 1.704 -3.595 1.189) 4.153 21.003 ( -0.546 -2.189 -0.434) 2.298 22.348 ( 3.799 -19.019 4.259) 19.857 22.438 ( -4.981 -22.444 0.121) 22.991 23.566 ( 8.376 1.214 3.613) 9.202 23.668 ( 5.548 1.787 -2.879) 6.501 23.752 ( -5.508 2.280 4.222) 7.305 23.820 ( -5.359 1.828 -0.590) 5.693 25.782 ( 2.937 -2.152 1.310) 3.869 25.810 ( 0.520 -2.358 0.141) 2.419 26.904 ( 4.105 -16.350 4.466) 17.439 27.031 ( -7.709 -17.400 -1.124) 19.064 28.455 ( 0.579 29.269 -6.153) 29.914 28.470 ( -0.853 26.361 -6.733) 27.221 29.297 ( 5.072 7.302 -1.373) 8.996 29.399 ( -4.626 6.745 -5.924) 10.099 33.317 ( 1.063 4.794 12.804) 13.713 33.333 ( -0.437 3.995 12.096) 12.746 34.747 ( 5.880 -16.531 12.308) 21.432 34.890 ( -7.778 -18.548 4.867) 20.693 ======================= Grid point 240 (85/105) ======================= q-point: ( 0.00 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.765 ( 0.000 20.714 33.652) 39.516 6.001 ( 0.000 9.292 17.952) 20.214 6.382 ( 0.000 19.169 29.068) 34.819 6.663 ( 0.000 -4.159 15.312) 15.867 7.010 ( 0.000 -7.456 -0.282) 7.461 7.166 ( 0.000 14.353 -11.089) 18.138 7.218 ( 0.000 -4.637 -3.204) 5.636 7.398 ( 0.000 3.993 3.751) 5.479 7.699 ( 0.000 1.388 -17.646) 17.701 7.747 ( 0.000 8.191 -11.616) 14.213 7.832 ( 0.000 3.657 26.863) 27.110 7.953 ( 0.000 -5.248 0.123) 5.250 7.998 ( 0.000 11.596 -11.390) 16.255 8.322 ( 0.000 16.235 0.338) 16.238 8.794 ( 0.000 -4.234 -13.280) 13.938 9.032 ( 0.000 2.489 3.701) 4.460 9.297 ( 0.000 1.166 -5.453) 5.576 9.309 ( 0.000 10.352 -3.507) 10.930 9.603 ( 0.000 2.783 -12.271) 12.582 9.625 ( 0.000 7.589 4.126) 8.638 9.813 ( 0.000 1.418 -20.300) 20.349 10.070 ( 0.000 6.149 -9.311) 11.158 10.305 ( 0.000 1.953 6.112) 6.416 10.458 ( 0.000 0.392 -5.140) 5.155 10.816 ( 0.000 9.934 12.912) 16.292 10.889 ( 0.000 -3.661 -3.502) 5.066 11.006 ( 0.000 4.618 -2.816) 5.409 11.186 ( 0.000 7.017 -7.190) 10.046 11.267 ( 0.000 -4.472 20.271) 20.759 11.633 ( 0.000 -9.790 4.631) 10.830 11.793 ( 0.000 -7.237 -5.997) 9.399 11.857 ( 0.000 -15.200 -5.421) 16.138 12.095 ( 0.000 2.935 -13.439) 13.756 12.099 ( 0.000 -13.040 -0.081) 13.040 12.776 ( 0.000 -17.656 -0.577) 17.666 13.082 ( 0.000 -17.292 -11.894) 20.988 13.607 ( 0.000 2.395 10.751) 11.014 13.757 ( 0.000 -1.028 8.975) 9.034 13.902 ( 0.000 -3.367 0.150) 3.371 14.085 ( 0.000 -10.396 -10.079) 14.479 14.964 ( 0.000 19.595 5.430) 20.333 15.028 ( 0.000 15.604 2.268) 15.768 15.076 ( 0.000 13.820 -1.564) 13.908 15.088 ( 0.000 18.748 -0.051) 18.748 15.739 ( 0.000 2.989 4.072) 5.052 15.826 ( 0.000 6.557 1.879) 6.821 16.033 ( 0.000 -1.722 5.966) 6.210 16.228 ( 0.000 -4.431 -2.435) 5.056 16.265 ( 0.000 -2.994 -1.442) 3.323 16.365 ( 0.000 -1.021 -7.497) 7.566 17.247 ( 0.000 -21.822 9.261) 23.706 17.385 ( 0.000 -16.468 2.107) 16.603 17.604 ( 0.000 6.531 3.260) 7.299 17.605 ( 0.000 6.997 3.898) 8.010 18.035 ( 0.000 -0.152 8.784) 8.786 18.053 ( 0.000 -1.564 7.413) 7.576 18.262 ( 0.000 -0.513 -3.355) 3.394 18.311 ( 0.000 -1.686 -5.564) 5.814 18.669 ( 0.000 -6.408 -10.369) 12.190 18.686 ( 0.000 -4.233 -11.696) 12.438 20.385 ( 0.000 5.709 0.101) 5.710 20.448 ( 0.000 4.019 -0.497) 4.050 20.748 ( 0.000 -0.908 -5.608) 5.681 20.796 ( 0.000 -6.516 2.962) 7.158 20.933 ( 0.000 14.049 -16.885) 21.965 20.945 ( 0.000 6.406 -10.067) 11.932 22.014 ( 0.000 -13.703 0.722) 13.722 22.145 ( 0.000 -22.386 -5.294) 23.003 23.333 ( 0.000 0.482 2.949) 2.988 23.402 ( 0.000 -1.380 -1.016) 1.713 23.952 ( 0.000 1.496 1.604) 2.193 23.960 ( 0.000 1.916 2.317) 3.006 25.722 ( 0.000 4.259 1.078) 4.393 25.727 ( 0.000 1.098 0.851) 1.389 26.576 ( 0.000 -14.505 12.211) 18.960 26.855 ( 0.000 -20.015 0.249) 20.017 28.904 ( 0.000 18.766 -5.679) 19.606 29.021 ( 0.000 24.667 -12.915) 27.844 29.308 ( 0.000 5.270 2.199) 5.711 29.602 ( 0.000 3.202 -11.661) 12.092 33.443 ( 0.000 8.123 12.563) 14.961 33.460 ( 0.000 11.797 11.520) 16.488 34.308 ( 0.000 -17.895 18.268) 25.573 34.635 ( 0.000 -24.661 1.368) 24.699 ======================= Grid point 241 (86/105) ======================= q-point: ( 0.20 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.771 ( 0.737 19.735 31.207) 36.931 5.959 ( -3.744 10.917 18.206) 21.556 6.438 ( 5.202 18.189 26.914) 32.898 6.669 ( 2.082 -5.675 12.534) 13.916 6.995 ( -6.746 1.825 4.826) 8.493 7.148 ( -1.006 2.284 6.489) 6.953 7.189 ( 0.397 -2.091 -9.062) 9.308 7.371 ( -2.298 2.153 2.989) 4.341 7.656 ( -1.376 7.997 -5.670) 9.900 7.738 ( 2.842 -1.783 -6.367) 7.197 7.895 ( -1.240 5.324 1.169) 5.590 7.972 ( 1.828 9.087 -5.132) 10.595 8.141 ( 12.878 1.466 -10.260) 16.531 8.265 ( -5.334 14.752 -2.139) 15.832 8.592 ( -10.798 1.731 -9.098) 14.225 9.080 ( -7.337 9.300 3.857) 12.458 9.199 ( -3.121 -4.876 -18.495) 19.379 9.250 ( -4.331 -2.923 -6.115) 8.043 9.591 ( 4.808 3.891 0.074) 6.186 9.705 ( 7.011 9.308 8.710) 14.549 10.023 ( 14.062 6.236 -15.516) 21.849 10.241 ( 7.712 5.687 -3.120) 10.077 10.277 ( 2.605 4.283 -1.447) 5.217 10.432 ( -2.771 3.969 -2.571) 5.481 10.731 ( -6.694 6.738 9.537) 13.460 10.880 ( -2.051 0.818 -1.535) 2.689 11.038 ( 2.789 2.157 -4.503) 5.719 11.142 ( -2.221 4.582 0.244) 5.098 11.330 ( 4.233 -2.925 13.757) 14.688 11.603 ( -2.352 -3.591 -1.547) 4.563 11.749 ( -1.431 -16.224 -5.522) 17.198 11.943 ( 4.868 -10.815 -0.294) 11.863 12.008 ( -5.004 -8.065 -12.461) 15.664 12.144 ( 1.158 -4.742 -4.467) 6.617 12.769 ( -0.293 -18.958 -2.060) 19.072 13.025 ( -5.345 -18.138 -11.314) 22.036 13.623 ( 1.645 2.464 10.419) 10.832 13.745 ( -1.123 -0.377 8.633) 8.714 13.891 ( -0.712 -3.049 0.308) 3.146 14.044 ( -3.771 -8.969 -8.235) 12.747 14.983 ( 1.593 19.468 5.409) 20.268 15.029 ( 0.154 16.505 2.894) 16.758 15.089 ( 1.799 14.423 -0.382) 14.540 15.127 ( 2.363 17.001 -1.604) 17.239 15.742 ( 0.493 3.238 4.239) 5.357 15.817 ( -0.771 5.947 2.350) 6.441 16.065 ( 2.828 -2.290 4.749) 5.982 16.224 ( -0.812 -7.204 -1.841) 7.480 16.259 ( -0.380 -1.762 -1.817) 2.560 16.343 ( -1.776 0.192 -7.019) 7.242 17.208 ( -2.726 -18.912 8.512) 20.917 17.333 ( -4.372 -15.503 2.047) 16.237 17.634 ( 2.680 5.589 4.412) 7.608 17.660 ( 3.935 5.155 2.682) 7.018 18.016 ( -1.281 -0.424 7.658) 7.776 18.047 ( -0.967 -1.449 7.391) 7.593 18.286 ( 2.322 -1.142 -3.424) 4.291 18.334 ( 1.955 -0.847 -4.717) 5.176 18.640 ( -2.227 -6.362 -10.249) 12.267 18.674 ( -1.566 -4.726 -10.997) 12.071 20.389 ( 0.435 5.345 0.047) 5.362 20.444 ( -0.470 3.943 -0.286) 3.981 20.698 ( -2.655 -0.406 -5.304) 5.945 20.782 ( -3.531 -4.617 -1.547) 6.015 20.923 ( 2.995 11.194 -11.327) 16.205 21.016 ( 2.797 7.322 -10.892) 13.419 21.992 ( -1.776 -15.701 -0.481) 15.808 22.089 ( -4.586 -22.211 -4.997) 23.223 23.418 ( 7.864 1.404 3.692) 8.800 23.508 ( 8.968 -0.516 -1.301) 9.077 23.921 ( -3.870 2.311 2.798) 5.305 23.930 ( -2.268 1.575 1.252) 3.032 25.734 ( 1.907 2.811 2.068) 3.977 25.769 ( 2.930 2.759 0.582) 4.067 26.557 ( -1.373 -15.693 10.518) 18.942 26.797 ( -5.482 -20.000 0.307) 20.740 28.916 ( 1.124 19.535 -5.841) 20.421 29.011 ( -0.993 24.494 -11.639) 27.137 29.338 ( 2.819 4.753 0.463) 5.545 29.576 ( -2.520 3.274 -10.599) 11.376 33.446 ( 0.303 8.485 12.582) 15.178 33.461 ( 0.078 11.039 11.714) 16.096 34.326 ( 1.868 -18.278 16.722) 24.844 34.592 ( -4.044 -23.763 3.040) 24.296 ======================= Grid point 242 (87/105) ======================= q-point: ( 0.40 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.802 ( 2.438 17.268 25.476) 30.873 5.872 ( -4.331 14.222 20.422) 25.260 6.578 ( 8.644 13.041 19.321) 24.861 6.785 ( -5.321 0.202 4.792) 7.164 6.790 ( 3.361 2.766 19.804) 20.276 7.007 ( -10.508 -3.214 13.623) 17.502 7.265 ( 4.030 -1.584 2.706) 5.106 7.338 ( -2.273 1.019 1.023) 2.693 7.683 ( 4.926 5.696 -5.469) 9.307 7.806 ( -4.787 2.209 -6.829) 8.627 7.857 ( 6.531 0.450 -0.523) 6.567 8.018 ( -3.811 8.646 -4.889) 10.638 8.131 ( 0.438 12.304 -21.493) 24.769 8.252 ( -5.772 10.731 -24.245) 27.134 8.606 ( 13.235 2.610 4.053) 14.086 8.889 ( -11.992 7.544 6.453) 15.568 9.103 ( -1.940 -6.121 -18.066) 19.173 9.151 ( -4.928 -3.845 -9.265) 11.177 9.792 ( 10.610 -0.492 4.014) 11.355 9.863 ( 5.623 2.484 5.056) 7.959 10.162 ( -1.928 12.070 14.658) 19.085 10.220 ( -2.270 12.934 4.573) 13.905 10.378 ( 4.034 9.971 -3.977) 11.468 10.480 ( 1.435 7.631 -10.774) 13.281 10.642 ( 2.637 3.403 -0.665) 4.356 10.783 ( -7.132 3.275 -4.279) 8.938 11.093 ( 2.200 0.076 -3.374) 4.029 11.122 ( -0.495 3.285 0.117) 3.324 11.431 ( 6.133 -3.480 8.858) 11.322 11.547 ( -4.082 0.040 -2.735) 4.914 11.759 ( 2.901 -17.120 -6.756) 18.632 11.866 ( -6.886 -10.099 -7.390) 14.283 12.061 ( 4.927 -11.257 -5.720) 13.554 12.136 ( -2.140 -7.495 -4.134) 8.823 12.789 ( 2.945 -20.322 -5.691) 21.308 12.893 ( -6.764 -19.589 -9.283) 22.708 13.669 ( 2.567 1.964 9.329) 9.873 13.715 ( -1.873 0.938 8.490) 8.745 13.894 ( 1.447 -3.518 -0.657) 3.860 13.955 ( -4.306 -5.980 -4.108) 8.436 15.016 ( 1.383 18.990 5.132) 19.720 15.031 ( -0.141 17.947 4.351) 18.467 15.132 ( 2.033 14.347 -0.916) 14.519 15.155 ( 0.098 15.714 -1.641) 15.800 15.764 ( 1.600 4.277 4.215) 6.215 15.796 ( -1.355 5.295 3.404) 6.439 16.128 ( 3.080 -6.170 0.830) 6.946 16.188 ( -2.695 -9.414 -1.848) 9.965 16.264 ( 1.367 0.250 -1.734) 2.222 16.305 ( -2.064 1.885 -3.716) 4.651 17.181 ( 0.677 -16.030 5.902) 17.095 17.237 ( -4.432 -15.079 3.056) 16.011 17.693 ( 2.595 5.090 4.337) 7.173 17.716 ( 0.840 4.704 3.076) 5.683 18.001 ( 0.052 -1.252 6.444) 6.565 18.019 ( -1.489 -1.911 6.249) 6.702 18.343 ( 2.752 -0.697 -3.310) 4.361 18.368 ( 0.665 0.062 -3.604) 3.666 18.604 ( -0.638 -6.714 -9.905) 11.983 18.628 ( -2.478 -5.592 -10.042) 11.758 20.404 ( 1.038 4.602 -0.066) 4.718 20.427 ( -1.116 4.054 -0.088) 4.206 20.671 ( 0.193 -0.354 -5.521) 5.536 20.706 ( -3.123 -0.987 -4.827) 5.833 20.996 ( 3.355 8.070 -8.402) 12.123 21.039 ( -0.592 7.504 -9.225) 11.907 21.968 ( -0.032 -19.293 -2.720) 19.484 22.001 ( -3.344 -21.482 -4.288) 22.160 23.611 ( 10.144 2.970 4.135) 11.350 23.700 ( 8.483 1.095 -1.061) 8.619 23.804 ( -7.224 2.812 3.916) 8.685 23.854 ( -5.394 1.438 0.397) 5.596 25.788 ( 2.752 3.080 2.825) 5.004 25.814 ( 0.707 3.416 1.816) 3.933 26.557 ( 2.366 -18.408 5.788) 19.441 26.660 ( -7.045 -19.804 1.542) 21.076 28.946 ( 1.783 21.417 -6.783) 22.536 28.983 ( -1.716 23.402 -8.959) 25.117 29.414 ( 4.468 3.971 -3.515) 6.935 29.506 ( -4.264 3.502 -7.648) 9.431 33.454 ( 0.429 9.058 12.513) 15.453 33.461 ( -0.191 9.821 12.166) 15.637 34.388 ( 4.195 -19.553 12.577) 23.624 34.490 ( -5.541 -21.655 7.346) 23.529 ======================= Grid point 245 (88/105) ======================= q-point: ( 0.00 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.147 ( 0.000 14.661 18.626) 23.704 6.179 ( 0.000 7.621 12.480) 14.623 6.568 ( 0.000 -2.352 25.882) 25.989 6.644 ( 0.000 0.991 25.610) 25.630 6.877 ( 0.000 1.235 15.186) 15.236 7.059 ( 0.000 -10.420 6.431) 12.245 7.365 ( 0.000 6.339 -8.347) 10.481 7.437 ( 0.000 -0.679 1.026) 1.230 7.690 ( 0.000 -1.060 -1.096) 1.524 7.719 ( 0.000 -5.094 -1.614) 5.344 7.944 ( 0.000 6.968 8.268) 10.813 8.021 ( 0.000 3.465 -2.277) 4.146 8.143 ( 0.000 8.858 -25.056) 26.575 8.397 ( 0.000 -11.391 -24.961) 27.438 8.868 ( 0.000 11.561 2.370) 11.801 9.025 ( 0.000 -3.933 2.166) 4.490 9.422 ( 0.000 10.548 3.590) 11.142 9.561 ( 0.000 1.648 3.365) 3.747 9.687 ( 0.000 5.563 -13.436) 14.542 9.695 ( 0.000 9.166 -11.723) 14.881 9.905 ( 0.000 5.291 -11.257) 12.439 10.097 ( 0.000 -6.040 -8.985) 10.827 10.359 ( 0.000 4.484 5.209) 6.873 10.441 ( 0.000 -2.499 -2.181) 3.317 10.803 ( 0.000 -2.502 1.578) 2.958 10.869 ( 0.000 -6.211 8.780) 10.755 11.053 ( 0.000 4.928 -7.493) 8.969 11.264 ( 0.000 -14.133 1.919) 14.263 11.352 ( 0.000 12.694 21.141) 24.659 11.388 ( 0.000 6.595 -10.350) 12.273 11.601 ( 0.000 -10.220 -9.087) 13.676 11.666 ( 0.000 -13.386 5.611) 14.514 12.028 ( 0.000 8.284 -1.797) 8.476 12.187 ( 0.000 -0.133 -12.875) 12.876 12.521 ( 0.000 -2.257 -4.563) 5.090 12.738 ( 0.000 -17.377 -13.234) 21.842 13.689 ( 0.000 5.656 3.582) 6.695 13.755 ( 0.000 0.031 6.497) 6.497 13.841 ( 0.000 -2.145 4.002) 4.541 13.892 ( 0.000 -8.311 -2.895) 8.801 15.293 ( 0.000 12.612 2.118) 12.788 15.322 ( 0.000 12.212 -0.464) 12.221 15.326 ( 0.000 10.726 0.933) 10.767 15.378 ( 0.000 7.268 0.581) 7.292 15.679 ( 0.000 -4.313 1.396) 4.533 15.769 ( 0.000 -10.187 -3.456) 10.757 15.994 ( 0.000 -1.122 7.987) 8.065 16.087 ( 0.000 -8.357 6.387) 10.518 16.395 ( 0.000 14.585 3.042) 14.899 16.516 ( 0.000 12.145 -4.584) 12.981 16.843 ( 0.000 -16.080 7.434) 17.715 16.996 ( 0.000 -21.066 -0.242) 21.067 17.714 ( 0.000 3.811 4.799) 6.129 17.716 ( 0.000 3.579 5.034) 6.176 17.977 ( 0.000 -2.791 7.801) 8.285 17.982 ( 0.000 -3.428 8.726) 9.375 18.313 ( 0.000 0.980 -7.211) 7.277 18.315 ( 0.000 1.801 -5.508) 5.795 18.599 ( 0.000 -0.213 -11.594) 11.596 18.631 ( 0.000 -2.299 -12.656) 12.863 20.504 ( 0.000 6.200 0.140) 6.202 20.533 ( 0.000 4.412 0.777) 4.480 20.652 ( 0.000 -6.014 -0.155) 6.016 20.663 ( 0.000 -6.209 2.233) 6.598 21.156 ( 0.000 10.899 -12.857) 16.856 21.190 ( 0.000 9.206 -14.686) 17.333 21.765 ( 0.000 -10.040 -5.508) 11.452 21.777 ( 0.000 -12.970 -6.096) 14.331 23.353 ( 0.000 1.305 2.076) 2.452 23.378 ( 0.000 -1.225 0.670) 1.396 23.977 ( 0.000 0.929 1.525) 1.786 23.983 ( 0.000 0.416 1.655) 1.706 25.787 ( 0.000 4.203 1.992) 4.652 25.815 ( 0.000 3.090 0.616) 3.150 26.372 ( 0.000 -3.619 10.468) 11.076 26.499 ( 0.000 -14.845 4.817) 15.607 29.195 ( 0.000 10.596 -4.102) 11.362 29.305 ( 0.000 0.448 -6.146) 6.162 29.441 ( 0.000 11.639 -8.373) 14.338 29.601 ( 0.000 -3.887 -12.163) 12.769 33.653 ( 0.000 13.233 14.199) 19.410 33.749 ( 0.000 17.134 9.154) 19.426 33.964 ( 0.000 -16.174 16.225) 22.909 34.164 ( 0.000 -22.876 5.929) 23.632 ======================= Grid point 246 (89/105) ======================= q-point: ( 0.20 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.139 ( -0.362 14.261 17.131) 22.292 6.190 ( 0.843 11.247 14.469) 18.345 6.521 ( -3.566 -3.984 20.428) 21.116 6.660 ( 0.307 -6.683 21.284) 22.311 6.886 ( 0.435 4.679 18.850) 19.427 7.076 ( 2.329 -8.838 9.038) 12.854 7.307 ( -5.350 6.644 1.165) 8.609 7.383 ( -3.166 -1.313 -0.315) 3.442 7.692 ( 0.709 -0.728 2.446) 2.649 7.716 ( 0.397 -1.948 1.123) 2.283 7.986 ( -1.558 6.647 -9.645) 11.817 8.062 ( 4.159 0.327 -0.373) 4.188 8.227 ( 8.614 5.139 -20.223) 22.574 8.337 ( -3.308 -4.825 -22.797) 23.535 8.788 ( -6.467 11.696 -5.436) 14.428 8.979 ( -6.081 -9.520 -9.728) 14.909 9.372 ( -3.640 13.071 3.989) 14.142 9.454 ( -7.446 18.436 -3.235) 20.145 9.590 ( 3.048 -3.427 4.853) 6.677 9.759 ( -0.229 -6.984 2.507) 7.424 10.164 ( 18.003 9.201 -15.722) 25.612 10.320 ( 14.999 -2.572 -11.259) 18.930 10.371 ( 2.888 7.158 5.889) 9.709 10.457 ( 1.563 -1.389 -1.889) 2.818 10.751 ( -4.557 0.206 2.168) 5.050 10.881 ( 0.938 -7.558 8.784) 11.626 11.033 ( -2.333 4.655 -8.420) 9.900 11.228 ( -4.012 -6.315 5.180) 9.100 11.326 ( 1.152 3.435 10.503) 11.111 11.432 ( 1.263 2.009 -3.713) 4.406 11.561 ( -1.548 -6.204 -9.380) 11.352 11.708 ( 1.224 -14.548 5.015) 15.437 12.000 ( -1.265 11.354 -5.420) 12.645 12.202 ( 1.052 0.504 -12.609) 12.663 12.464 ( -4.970 -5.622 -4.781) 8.898 12.671 ( -6.242 -17.594 -13.089) 22.799 13.700 ( 1.109 5.114 4.431) 6.857 13.754 ( -0.034 0.617 6.606) 6.635 13.834 ( -0.657 -2.245 4.071) 4.695 13.875 ( -1.580 -7.340 -1.503) 7.657 15.325 ( 2.762 13.443 1.524) 13.808 15.333 ( 1.131 12.067 1.430) 12.204 15.340 ( 1.506 11.595 0.253) 11.695 15.412 ( 2.435 8.371 -0.031) 8.718 15.683 ( 0.835 -4.998 1.608) 5.316 15.763 ( -0.342 -9.766 -2.722) 10.144 15.970 ( -2.441 -4.209 5.678) 7.477 16.045 ( -4.015 -9.498 4.686) 11.326 16.410 ( 1.606 15.345 3.516) 15.825 16.519 ( 0.167 13.883 -3.032) 14.212 16.828 ( -0.986 -17.057 7.499) 18.659 16.961 ( -3.136 -20.475 0.627) 20.723 17.740 ( 2.441 4.190 5.053) 7.003 17.752 ( 2.994 3.113 4.531) 6.260 17.962 ( -1.347 -2.684 7.425) 8.009 17.972 ( -1.241 -3.900 8.088) 9.064 18.324 ( 1.943 2.456 -6.682) 7.379 18.350 ( 2.782 0.472 -6.370) 6.967 18.570 ( -2.659 -0.112 -10.969) 11.287 18.608 ( -2.270 -2.750 -11.876) 12.400 20.500 ( -0.235 5.791 0.186) 5.799 20.528 ( -0.478 4.458 0.947) 4.582 20.627 ( -1.627 -4.910 -0.020) 5.173 20.655 ( -1.193 -6.464 1.538) 6.751 21.179 ( 2.370 12.344 -12.423) 17.673 21.223 ( 2.651 9.614 -13.788) 17.017 21.701 ( -5.305 -12.318 -6.198) 14.775 21.719 ( -4.913 -13.627 -7.068) 16.118 23.455 ( 9.170 2.087 2.652) 9.772 23.490 ( 9.653 -1.390 0.756) 9.781 23.952 ( -2.932 0.868 1.889) 3.595 23.954 ( -2.635 0.671 1.591) 3.150 25.819 ( 3.195 5.399 2.585) 6.785 25.858 ( 4.017 3.552 0.732) 5.412 26.320 ( -4.690 -5.411 9.430) 11.840 26.438 ( -5.767 -15.119 4.216) 16.721 29.218 ( 2.241 11.054 -4.644) 12.197 29.330 ( 2.189 2.033 -7.816) 8.367 29.424 ( -1.412 9.582 -6.696) 11.775 29.577 ( -2.378 -3.797 -11.261) 12.120 33.660 ( 0.762 13.499 13.808) 19.325 33.739 ( -0.930 16.934 9.677) 19.526 33.974 ( 1.026 -16.954 15.310) 22.867 34.137 ( -2.531 -22.130 6.924) 23.326 ======================= Grid point 247 (90/105) ======================= q-point: ( 0.40 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.151 ( 1.747 16.922 17.030) 24.072 6.192 ( -1.298 18.131 17.333) 25.117 6.486 ( 1.685 -13.414 12.024) 18.093 6.588 ( -6.614 -17.168 11.758) 21.835 6.962 ( 7.624 12.652 21.904) 26.420 7.134 ( -4.456 5.906 16.854) 18.406 7.185 ( 1.179 -3.906 11.890) 12.571 7.301 ( -5.697 -5.172 7.375) 10.658 7.752 ( 5.645 1.967 -3.070) 6.721 7.793 ( 7.381 -2.551 -6.347) 10.063 7.891 ( -6.527 4.518 -6.661) 10.363 7.990 ( -9.749 -5.260 -7.026) 13.118 8.382 ( 8.165 10.657 -21.211) 25.103 8.455 ( 7.252 6.592 -20.050) 22.317 8.659 ( -3.011 0.151 -14.136) 14.454 8.797 ( -10.623 -11.447 -17.864) 23.728 9.327 ( -0.226 20.638 6.536) 21.650 9.359 ( -2.996 22.783 5.222) 23.565 9.678 ( 4.854 -11.808 7.533) 14.824 9.750 ( -1.721 -13.852 7.075) 15.649 10.412 ( 3.505 9.464 4.490) 11.046 10.430 ( 5.022 9.788 -5.910) 12.488 10.504 ( 4.302 0.386 -2.448) 4.965 10.605 ( -0.788 -6.541 -2.525) 7.056 10.683 ( 8.406 13.764 -4.733) 16.808 10.884 ( -5.272 7.487 0.093) 9.157 10.990 ( 2.902 -10.505 -1.900) 11.063 11.116 ( -6.754 -6.887 3.444) 10.242 11.403 ( 5.404 2.294 9.185) 10.901 11.450 ( 1.032 -4.635 -8.945) 10.128 11.550 ( 0.460 -4.359 -8.017) 9.137 11.645 ( -6.904 -11.867 4.358) 14.405 12.048 ( 6.074 11.580 -8.785) 15.754 12.183 ( -4.870 10.385 -11.495) 16.239 12.400 ( 1.541 -18.422 -7.613) 19.993 12.516 ( -8.057 -18.611 -11.949) 23.538 13.730 ( 1.611 4.073 5.881) 7.333 13.752 ( -0.389 2.533 6.814) 7.280 13.822 ( -0.176 -3.520 3.450) 4.932 13.838 ( -1.695 -5.532 1.256) 5.920 15.360 ( 1.205 13.559 1.351) 13.680 15.366 ( 0.835 14.811 1.526) 14.913 15.393 ( 3.107 11.331 0.779) 11.775 15.436 ( -0.664 10.332 0.020) 10.354 15.730 ( 3.494 -4.156 1.922) 5.760 15.766 ( 0.411 -6.088 -0.364) 6.112 15.908 ( -2.460 -12.015 1.328) 12.336 15.942 ( -5.166 -13.194 1.221) 14.221 16.459 ( 2.952 16.466 3.598) 17.112 16.509 ( -1.542 16.461 0.819) 16.553 16.829 ( 1.494 -18.909 5.817) 19.840 16.886 ( -3.768 -19.520 2.824) 20.080 17.797 ( 2.660 5.029 5.001) 7.574 17.810 ( 1.865 4.279 4.481) 6.470 17.928 ( -1.423 -4.403 6.518) 7.993 17.936 ( -1.853 -4.867 6.796) 8.562 18.387 ( 3.755 3.422 -6.843) 8.523 18.416 ( 2.722 2.403 -6.507) 7.451 18.508 ( -2.430 -2.337 -10.124) 10.671 18.543 ( -3.896 -3.669 -10.310) 11.616 20.501 ( 0.401 5.225 0.502) 5.264 20.515 ( -0.779 4.885 0.991) 5.045 20.606 ( -0.165 -4.910 -0.056) 4.913 20.623 ( -1.602 -5.610 0.721) 5.878 21.241 ( 3.057 14.759 -11.478) 18.945 21.268 ( 0.925 13.851 -12.191) 18.475 21.606 ( -2.772 -17.185 -7.836) 19.089 21.620 ( -3.798 -17.020 -8.439) 19.373 23.668 ( 10.606 2.579 3.072) 11.339 23.703 ( 10.053 -0.842 1.109) 10.149 23.851 ( -7.032 1.794 2.692) 7.740 23.869 ( -6.085 -0.017 1.435) 6.252 25.909 ( 4.989 8.978 3.773) 10.942 25.947 ( 2.907 8.920 2.230) 9.643 26.225 ( -2.497 -13.594 6.118) 15.115 26.292 ( -7.416 -16.581 3.316) 18.464 29.278 ( 3.423 12.231 -6.388) 14.216 29.342 ( -2.267 12.787 -9.770) 16.251 29.430 ( 3.212 -2.455 -4.881) 6.338 29.510 ( -3.969 -3.567 -8.784) 10.278 33.683 ( 1.400 14.418 12.699) 19.264 33.713 ( -1.531 15.876 11.108) 19.437 34.010 ( 2.557 -18.520 12.737) 22.622 34.073 ( -3.460 -20.373 9.515) 22.750 ======================= Grid point 270 (91/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.839 ( 0.000 0.000 -23.190) 23.190 5.839 ( 0.000 0.000 23.190) 23.190 5.975 ( 0.000 0.000 -18.785) 18.785 5.975 ( 0.000 0.000 18.785) 18.785 6.791 ( 0.000 0.000 -13.428) 13.428 6.791 ( 0.000 0.000 13.428) 13.428 6.847 ( 0.000 0.000 -15.278) 15.278 6.847 ( 0.000 0.000 15.278) 15.278 7.394 ( 0.000 0.000 -13.813) 13.813 7.394 ( 0.000 0.000 13.813) 13.813 7.665 ( 0.000 0.000 -16.899) 16.899 7.665 ( 0.000 0.000 16.899) 16.899 8.045 ( 0.000 0.000 -17.597) 17.597 8.045 ( 0.000 0.000 17.597) 17.597 8.783 ( 0.000 0.000 -1.658) 1.658 8.783 ( 0.000 0.000 1.658) 1.658 9.260 ( 0.000 0.000 -19.643) 19.643 9.260 ( 0.000 0.000 19.643) 19.643 9.430 ( 0.000 0.000 -11.417) 11.417 9.430 ( 0.000 0.000 11.417) 11.417 9.928 ( 0.000 0.000 -3.206) 3.206 9.928 ( 0.000 0.000 3.206) 3.206 10.092 ( 0.000 0.000 -7.799) 7.799 10.092 ( 0.000 0.000 7.799) 7.799 10.773 ( 0.000 0.000 -14.533) 14.533 10.773 ( 0.000 0.000 14.533) 14.533 11.023 ( 0.000 0.000 -4.612) 4.612 11.023 ( 0.000 0.000 4.612) 4.612 11.834 ( 0.000 0.000 -12.845) 12.845 11.834 ( 0.000 0.000 12.845) 12.845 11.930 ( 0.000 0.000 -0.800) 0.800 11.930 ( 0.000 0.000 0.800) 0.800 12.677 ( 0.000 0.000 -3.209) 3.209 12.677 ( 0.000 0.000 3.209) 3.209 13.850 ( 0.000 0.000 -0.484) 0.484 13.850 ( 0.000 0.000 0.484) 0.484 13.902 ( 0.000 0.000 -0.162) 0.162 13.902 ( 0.000 0.000 0.162) 0.162 13.996 ( 0.000 0.000 -1.437) 1.437 13.996 ( 0.000 0.000 1.437) 1.437 14.023 ( 0.000 0.000 -10.288) 10.288 14.023 ( 0.000 0.000 10.288) 10.288 14.507 ( 0.000 0.000 -0.893) 0.893 14.507 ( 0.000 0.000 0.893) 0.893 15.425 ( 0.000 0.000 -0.312) 0.312 15.425 ( 0.000 0.000 0.312) 0.312 16.232 ( 0.000 0.000 -1.506) 1.506 16.232 ( 0.000 0.000 1.506) 1.506 16.370 ( 0.000 0.000 -3.879) 3.879 16.370 ( 0.000 0.000 3.879) 3.879 17.364 ( 0.000 0.000 -1.411) 1.411 17.364 ( 0.000 0.000 1.411) 1.411 17.837 ( 0.000 0.000 -3.317) 3.317 17.837 ( 0.000 0.000 3.317) 3.317 17.887 ( 0.000 0.000 -8.348) 8.348 17.887 ( 0.000 0.000 8.348) 8.348 18.489 ( 0.000 0.000 -9.179) 9.179 18.489 ( 0.000 0.000 9.179) 9.179 19.093 ( 0.000 0.000 -2.528) 2.528 19.093 ( 0.000 0.000 2.528) 2.528 20.195 ( 0.000 0.000 -5.933) 5.933 20.195 ( 0.000 0.000 5.933) 5.933 20.294 ( 0.000 0.000 -0.257) 0.257 20.294 ( 0.000 0.000 0.257) 0.257 21.106 ( 0.000 0.000 -0.446) 0.446 21.106 ( 0.000 0.000 0.446) 0.446 22.770 ( 0.000 0.000 -11.237) 11.237 22.770 ( 0.000 0.000 11.237) 11.237 23.600 ( 0.000 0.000 -2.277) 2.277 23.600 ( 0.000 0.000 2.277) 2.277 23.937 ( 0.000 0.000 -4.869) 4.869 23.937 ( 0.000 0.000 4.869) 4.869 25.770 ( 0.000 0.000 -3.761) 3.761 25.770 ( 0.000 0.000 3.761) 3.761 27.405 ( 0.000 0.000 -11.094) 11.094 27.405 ( 0.000 0.000 11.094) 11.094 27.688 ( 0.000 0.000 -9.617) 9.617 27.688 ( 0.000 0.000 9.617) 9.617 29.155 ( 0.000 0.000 -10.422) 10.422 29.155 ( 0.000 0.000 10.422) 10.422 33.351 ( 0.000 0.000 -2.637) 2.637 33.351 ( 0.000 0.000 2.637) 2.637 35.320 ( 0.000 0.000 -15.629) 15.629 35.320 ( 0.000 0.000 15.629) 15.629 ======================= Grid point 272 (92/105) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.796 ( -3.845 0.000 -16.286) 16.734 5.796 ( -3.845 0.000 16.286) 16.734 5.972 ( -0.267 0.000 -15.025) 15.028 5.972 ( -0.267 0.000 15.025) 15.028 6.866 ( 7.173 0.000 -11.632) 13.666 6.866 ( 7.173 0.000 11.632) 13.666 6.885 ( 4.447 0.000 -8.704) 9.774 6.885 ( 4.447 0.000 8.704) 9.774 7.375 ( -2.136 0.000 -18.113) 18.239 7.375 ( -2.136 0.000 18.113) 18.239 7.634 ( -4.032 0.000 -17.744) 18.197 7.634 ( -4.032 0.000 17.744) 18.197 7.932 ( -9.441 0.000 -21.908) 23.855 7.932 ( -9.441 0.000 21.908) 23.855 8.886 ( 10.300 0.000 -2.549) 10.611 8.886 ( 10.300 0.000 2.549) 10.611 9.381 ( 10.567 0.000 -19.048) 21.783 9.381 ( 10.567 0.000 19.048) 21.783 9.519 ( 7.584 0.000 -9.851) 12.432 9.519 ( 7.584 0.000 9.851) 12.432 9.862 ( -5.614 0.000 -4.640) 7.283 9.862 ( -5.614 0.000 4.640) 7.283 10.041 ( -5.060 0.000 -9.035) 10.355 10.041 ( -5.060 0.000 9.035) 10.355 10.588 ( -16.020 0.000 -13.861) 21.184 10.588 ( -16.020 0.000 13.861) 21.184 11.021 ( -0.126 0.000 -3.829) 3.831 11.021 ( -0.126 0.000 3.829) 3.831 11.916 ( -1.201 0.000 -0.605) 1.344 11.916 ( -1.201 0.000 0.605) 1.344 11.944 ( 8.472 0.000 -9.760) 12.924 11.944 ( 8.472 0.000 9.760) 12.924 12.692 ( 1.380 0.000 -2.923) 3.233 12.692 ( 1.380 0.000 2.923) 3.233 13.857 ( 0.625 0.000 -0.456) 0.774 13.857 ( 0.625 0.000 0.456) 0.774 13.892 ( -2.358 0.000 -11.989) 12.218 13.892 ( -2.358 0.000 11.989) 12.218 13.999 ( 0.216 0.000 -1.215) 1.234 13.999 ( 0.216 0.000 1.215) 1.234 14.013 ( 0.727 0.000 -14.186) 14.204 14.013 ( 0.727 0.000 14.186) 14.204 14.510 ( -0.014 0.000 -1.263) 1.263 14.510 ( -0.014 0.000 1.263) 1.263 15.426 ( 0.037 0.000 -0.353) 0.355 15.426 ( 0.037 0.000 0.353) 0.355 16.239 ( 0.632 0.000 -1.266) 1.415 16.239 ( 0.632 0.000 1.266) 1.415 16.358 ( -1.071 0.000 -3.239) 3.411 16.358 ( -1.071 0.000 3.239) 3.411 17.354 ( -0.865 0.000 -1.223) 1.498 17.354 ( -0.865 0.000 1.223) 1.498 17.836 ( -0.100 0.000 -2.639) 2.640 17.836 ( -0.100 0.000 2.639) 2.640 17.897 ( 0.820 0.000 -7.104) 7.151 17.897 ( 0.820 0.000 7.104) 7.151 18.476 ( -1.076 0.000 -7.625) 7.700 18.476 ( -1.076 0.000 7.625) 7.700 19.090 ( -0.287 0.000 -2.151) 2.170 19.090 ( -0.287 0.000 2.151) 2.170 20.189 ( -0.498 0.000 -4.822) 4.847 20.189 ( -0.498 0.000 4.822) 4.847 20.300 ( 0.516 0.000 -0.217) 0.559 20.300 ( 0.516 0.000 0.217) 0.559 21.104 ( -0.220 0.000 -0.363) 0.425 21.104 ( -0.220 0.000 0.363) 0.425 22.848 ( 7.020 0.000 -10.774) 12.860 22.848 ( 7.020 0.000 10.774) 12.860 23.598 ( -0.223 0.000 -3.599) 3.606 23.598 ( -0.223 0.000 3.599) 3.606 23.873 ( -5.760 0.000 -4.057) 7.045 23.873 ( -5.760 0.000 4.057) 7.045 25.807 ( 3.243 0.000 -2.687) 4.212 25.807 ( 3.243 0.000 2.687) 4.212 27.379 ( -2.301 0.000 -9.208) 9.491 27.379 ( -2.301 0.000 9.208) 9.491 27.688 ( -0.021 0.000 -7.780) 7.780 27.688 ( -0.021 0.000 7.780) 7.780 29.155 ( -0.005 0.000 -8.430) 8.430 29.155 ( -0.005 0.000 8.430) 8.430 33.362 ( 0.985 0.000 -2.222) 2.430 33.362 ( 0.985 0.000 2.222) 2.430 35.298 ( -1.871 0.000 -12.701) 12.839 35.298 ( -1.871 0.000 12.701) 12.839 ======================= Grid point 274 (93/105) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.720 ( -2.571 0.000 -4.909) 5.541 5.720 ( -2.571 0.000 4.909) 5.541 5.967 ( -0.143 0.000 -5.639) 5.641 5.967 ( -0.143 0.000 5.639) 5.641 7.016 ( 6.387 0.000 -4.966) 8.091 7.016 ( 6.387 0.000 4.966) 8.091 7.053 ( 9.846 0.000 -8.261) 12.853 7.053 ( 9.846 0.000 8.261) 12.853 7.288 ( -6.567 0.000 -17.315) 18.518 7.288 ( -6.567 0.000 17.315) 18.518 7.507 ( -6.393 0.000 -10.852) 12.595 7.507 ( -6.393 0.000 10.852) 12.595 7.759 ( -5.415 0.000 -14.078) 15.084 7.759 ( -5.415 0.000 14.078) 15.084 9.155 ( 13.389 0.000 -1.964) 13.533 9.155 ( 13.389 0.000 1.964) 13.533 9.558 ( -7.287 0.000 -2.193) 7.610 9.558 ( -7.287 0.000 2.193) 7.610 9.619 ( 11.223 0.000 -14.569) 18.390 9.619 ( 11.223 0.000 14.569) 18.390 9.879 ( 11.997 0.000 -13.515) 18.072 9.879 ( 11.997 0.000 13.515) 18.072 9.896 ( -8.468 0.000 -10.668) 13.620 9.896 ( -8.468 0.000 10.668) 13.620 10.217 ( -18.916 0.000 -13.916) 23.483 10.217 ( -18.916 0.000 13.916) 23.483 11.020 ( -0.013 0.000 -1.525) 1.525 11.020 ( -0.013 0.000 1.525) 1.525 11.893 ( -0.763 0.000 -0.209) 0.791 11.893 ( -0.763 0.000 0.209) 0.791 12.085 ( 4.053 0.000 -3.570) 5.401 12.085 ( 4.053 0.000 3.570) 5.401 12.723 ( 1.258 0.000 -1.378) 1.865 12.723 ( 1.258 0.000 1.378) 1.865 13.822 ( -2.781 0.000 -4.781) 5.531 13.822 ( -2.781 0.000 4.781) 5.531 13.869 ( 0.391 0.000 -0.211) 0.444 13.869 ( 0.391 0.000 0.211) 0.444 14.003 ( 0.123 0.000 -0.495) 0.510 14.003 ( 0.123 0.000 0.495) 0.510 14.056 ( 2.034 0.000 -4.531) 4.967 14.056 ( 2.034 0.000 4.531) 4.967 14.502 ( -0.575 0.000 -0.913) 1.079 14.502 ( -0.575 0.000 0.913) 1.079 15.427 ( 0.067 0.000 -0.206) 0.216 15.427 ( 0.067 0.000 0.206) 0.216 16.252 ( 0.405 0.000 -0.515) 0.655 16.252 ( 0.405 0.000 0.515) 0.655 16.337 ( -0.667 0.000 -1.303) 1.464 16.337 ( -0.667 0.000 1.303) 1.464 17.338 ( -0.550 0.000 -0.519) 0.756 17.338 ( -0.550 0.000 0.519) 0.756 17.834 ( -0.058 0.000 -0.981) 0.983 17.834 ( -0.058 0.000 0.981) 0.983 17.912 ( 0.461 0.000 -2.935) 2.971 17.912 ( 0.461 0.000 2.935) 2.971 18.457 ( -0.597 0.000 -3.045) 3.103 18.457 ( -0.597 0.000 3.045) 3.103 19.084 ( -0.187 0.000 -0.889) 0.909 19.084 ( -0.187 0.000 0.889) 0.909 20.179 ( -0.304 0.000 -1.856) 1.881 20.179 ( -0.304 0.000 1.856) 1.881 20.310 ( 0.320 0.000 -0.088) 0.332 20.310 ( 0.320 0.000 0.088) 0.332 21.099 ( -0.139 0.000 -0.141) 0.198 21.099 ( -0.139 0.000 0.141) 0.198 22.998 ( 5.674 0.000 -6.043) 8.289 22.998 ( 5.674 0.000 6.043) 8.289 23.588 ( -0.710 0.000 -4.147) 4.208 23.588 ( -0.710 0.000 4.147) 4.208 23.753 ( -4.298 0.000 -0.889) 4.389 23.753 ( -4.298 0.000 0.889) 4.389 25.869 ( 2.051 0.000 -0.817) 2.208 25.869 ( 2.051 0.000 0.817) 2.208 27.334 ( -1.519 0.000 -3.682) 3.983 27.334 ( -1.519 0.000 3.682) 3.983 27.688 ( -0.013 0.000 -2.971) 2.971 27.688 ( -0.013 0.000 2.971) 2.971 29.155 ( -0.003 0.000 -3.220) 3.220 29.155 ( -0.003 0.000 3.220) 3.220 33.381 ( 0.632 0.000 -0.907) 1.105 33.381 ( 0.632 0.000 0.907) 1.105 35.262 ( -1.178 0.000 -4.891) 5.031 35.262 ( -1.178 0.000 4.891) 5.031 ======================= Grid point 280 (94/105) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.885 ( 0.000 4.722 -20.948) 21.473 5.885 ( 0.000 4.722 20.948) 21.473 6.140 ( 0.000 15.478 -19.607) 24.980 6.140 ( 0.000 15.478 19.607) 24.980 6.846 ( 0.000 3.649 -0.955) 3.772 6.846 ( 0.000 3.649 0.955) 3.772 6.871 ( 0.000 4.470 -1.213) 4.632 6.871 ( 0.000 4.470 1.213) 4.632 7.466 ( 0.000 6.037 -12.587) 13.960 7.466 ( 0.000 6.037 12.587) 13.960 7.722 ( 0.000 5.484 -12.571) 13.715 7.722 ( 0.000 5.484 12.571) 13.715 7.994 ( 0.000 -3.028 -13.533) 13.868 7.994 ( 0.000 -3.028 13.533) 13.868 8.856 ( 0.000 5.944 -0.322) 5.952 8.856 ( 0.000 5.944 0.322) 5.952 9.224 ( 0.000 -3.508 -15.007) 15.412 9.224 ( 0.000 -3.508 15.007) 15.412 9.477 ( 0.000 4.248 -7.328) 8.470 9.477 ( 0.000 4.248 7.328) 8.470 9.795 ( 0.000 -8.765 -7.433) 11.492 9.795 ( 0.000 -8.765 7.433) 11.492 10.205 ( 0.000 7.385 -4.902) 8.864 10.205 ( 0.000 7.385 4.902) 8.864 10.789 ( 0.000 1.503 -13.359) 13.443 10.789 ( 0.000 1.503 13.359) 13.443 10.969 ( 0.000 -4.151 -3.740) 5.588 10.969 ( 0.000 -4.151 3.740) 5.588 11.767 ( 0.000 -4.117 -6.983) 8.106 11.767 ( 0.000 -4.117 6.983) 8.106 12.015 ( 0.000 5.119 -5.515) 7.525 12.015 ( 0.000 5.119 5.515) 7.525 12.534 ( 0.000 -13.696 -3.102) 14.042 12.534 ( 0.000 -13.696 3.102) 14.042 13.588 ( 0.000 -18.589 -7.518) 20.052 13.588 ( 0.000 -18.589 7.518) 20.052 13.888 ( 0.000 1.736 -0.542) 1.819 13.888 ( 0.000 1.736 0.542) 1.819 13.988 ( 0.000 -1.408 -21.209) 21.256 13.988 ( 0.000 -1.408 21.209) 21.256 14.314 ( 0.000 17.696 -5.268) 18.464 14.314 ( 0.000 17.696 5.268) 18.464 14.568 ( 0.000 6.795 -0.568) 6.819 14.568 ( 0.000 6.795 0.568) 6.819 15.484 ( 0.000 5.898 -0.727) 5.943 15.484 ( 0.000 5.898 0.727) 5.943 16.213 ( 0.000 -1.607 -0.293) 1.633 16.213 ( 0.000 -1.607 0.293) 1.633 16.378 ( 0.000 0.025 -3.327) 3.327 16.378 ( 0.000 0.025 3.327) 3.327 17.395 ( 0.000 3.152 -1.326) 3.420 17.395 ( 0.000 3.152 1.326) 3.420 17.837 ( 0.000 -3.476 -4.896) 6.004 17.837 ( 0.000 -3.476 4.896) 6.004 17.900 ( 0.000 4.368 -4.634) 6.368 17.900 ( 0.000 4.368 4.634) 6.368 18.445 ( 0.000 -4.372 -7.753) 8.900 18.445 ( 0.000 -4.372 7.753) 8.900 19.001 ( 0.000 -8.928 -2.098) 9.171 19.001 ( 0.000 -8.928 2.098) 9.171 20.245 ( 0.000 4.963 -6.586) 8.247 20.245 ( 0.000 4.963 6.586) 8.247 20.322 ( 0.000 3.013 -1.883) 3.553 20.322 ( 0.000 3.013 1.883) 3.553 21.070 ( 0.000 -3.634 -0.499) 3.668 21.070 ( 0.000 -3.634 0.499) 3.668 22.697 ( 0.000 -8.164 -11.478) 14.085 22.697 ( 0.000 -8.164 11.478) 14.085 23.519 ( 0.000 -6.892 -0.618) 6.920 23.519 ( 0.000 -6.892 0.618) 6.920 23.930 ( 0.000 -0.047 -2.242) 2.243 23.930 ( 0.000 -0.047 2.242) 2.243 25.748 ( 0.000 -1.946 -3.269) 3.805 25.748 ( 0.000 -1.946 3.269) 3.805 27.316 ( 0.000 -8.552 -11.371) 14.228 27.316 ( 0.000 -8.552 11.371) 14.228 27.911 ( 0.000 20.550 -7.073) 21.733 27.911 ( 0.000 20.550 7.073) 21.733 29.203 ( 0.000 4.565 -10.000) 10.993 29.203 ( 0.000 4.565 10.000) 10.993 33.366 ( 0.000 1.679 -2.272) 2.825 33.366 ( 0.000 1.679 2.272) 2.825 35.219 ( 0.000 -10.079 -14.580) 17.724 35.219 ( 0.000 -10.079 14.580) 17.724 ======================= Grid point 282 (95/105) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.839 ( -4.028 4.420 -14.756) 15.921 5.839 ( -4.028 4.420 14.756) 15.921 6.141 ( 0.098 15.925 -15.870) 22.483 6.141 ( 0.098 15.925 15.870) 22.483 6.886 ( 3.986 1.543 -11.215) 12.001 6.886 ( 3.986 1.543 11.215) 12.001 6.949 ( 7.964 6.861 -9.910) 14.447 6.949 ( 7.964 6.861 9.910) 14.447 7.446 ( -2.406 6.334 -13.842) 15.412 7.446 ( -2.406 6.334 13.843) 15.412 7.692 ( -4.052 5.454 -15.031) 16.495 7.692 ( -4.052 5.454 15.031) 16.495 7.897 ( -8.283 -2.075 -16.152) 18.271 7.897 ( -8.283 -2.075 16.152) 18.271 8.878 ( 4.847 -1.386 -7.254) 8.834 8.878 ( 4.847 -1.386 7.254) 8.834 9.368 ( 10.819 -1.242 -10.192) 14.916 9.368 ( 10.819 -1.242 10.192) 14.916 9.544 ( 4.170 -0.025 -3.711) 5.582 9.544 ( 4.170 -0.025 3.711) 5.582 9.779 ( 0.978 -1.923 -10.586) 10.803 9.779 ( 0.978 -1.923 10.586) 10.803 10.148 ( -5.569 7.161 -5.236) 10.474 10.148 ( -5.569 7.161 5.236) 10.474 10.623 ( -13.813 3.807 -12.077) 18.739 10.623 ( -13.813 3.807 12.077) 18.739 10.992 ( 1.113 -2.502 -2.466) 3.685 10.992 ( 1.113 -2.502 2.466) 3.685 11.787 ( 0.842 -6.910 -3.079) 7.612 11.787 ( 0.842 -6.910 3.079) 7.612 12.058 ( 4.103 4.888 -6.780) 9.311 12.058 ( 4.103 4.888 6.780) 9.311 12.553 ( 1.728 -13.314 -2.532) 13.663 12.553 ( 1.728 -13.314 2.532) 13.663 13.585 ( -0.405 -19.177 -6.307) 20.191 13.585 ( -0.405 -19.177 6.307) 20.191 13.877 ( -0.947 0.611 -1.417) 1.811 13.877 ( -0.947 0.611 1.417) 1.811 13.953 ( -2.875 -1.308 -17.709) 17.988 13.953 ( -2.875 -1.308 17.709) 17.988 14.337 ( 2.034 18.283 -4.490) 18.936 14.337 ( 2.034 18.283 4.490) 18.936 14.581 ( 0.914 7.395 -1.746) 7.653 14.581 ( 0.914 7.395 1.746) 7.653 15.484 ( 0.038 5.913 -0.700) 5.955 15.484 ( 0.038 5.913 0.700) 5.955 16.226 ( 1.209 -1.181 -0.576) 1.786 16.226 ( 1.209 -1.181 0.576) 1.786 16.362 ( -1.482 -0.228 -2.727) 3.112 16.362 ( -1.482 -0.228 2.727) 3.112 17.387 ( -0.723 3.263 -1.201) 3.551 17.387 ( -0.723 3.263 1.201) 3.551 17.838 ( 0.218 -3.661 -4.728) 5.983 17.838 ( 0.218 -3.661 4.728) 5.983 17.898 ( -0.367 3.654 -3.632) 5.165 17.898 ( -0.367 3.654 3.632) 5.165 18.443 ( -0.186 -3.388 -6.266) 7.125 18.443 ( -0.186 -3.388 6.266) 7.125 18.994 ( -0.547 -9.203 -1.782) 9.389 18.994 ( -0.547 -9.203 1.782) 9.389 20.239 ( -0.510 5.094 -5.269) 7.347 20.239 ( -0.510 5.094 5.269) 7.347 20.326 ( 0.375 2.655 -1.474) 3.059 20.326 ( 0.375 2.655 1.474) 3.059 21.070 ( 0.065 -3.286 -0.441) 3.316 21.070 ( 0.065 -3.286 0.441) 3.316 22.746 ( 4.267 -10.954 -10.180) 15.551 22.746 ( 4.267 -10.954 10.180) 15.551 23.536 ( 1.717 -4.776 -2.406) 5.616 23.536 ( 1.717 -4.776 2.406) 5.616 23.878 ( -4.745 0.843 -2.243) 5.316 23.878 ( -4.745 0.843 2.243) 5.316 25.783 ( 3.101 -2.130 -2.459) 4.495 25.783 ( 3.101 -2.130 2.459) 4.495 27.284 ( -2.775 -8.888 -9.436) 13.257 27.284 ( -2.775 -8.888 9.436) 13.257 27.913 ( 0.226 20.667 -5.745) 21.451 27.913 ( 0.226 20.667 5.745) 21.451 29.203 ( 0.005 4.571 -8.091) 9.293 29.203 ( 0.005 4.571 8.091) 9.293 33.376 ( 0.891 1.570 -1.922) 2.636 33.376 ( 0.891 1.570 1.922) 2.636 35.198 ( -1.749 -9.939 -11.850) 15.565 35.198 ( -1.749 -9.939 11.850) 15.565 ======================= Grid point 284 (96/105) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.761 ( -2.571 4.253 -4.498) 6.703 5.761 ( -2.571 4.253 4.498) 6.703 6.143 ( 0.066 16.642 -6.021) 17.697 6.143 ( 0.066 16.642 6.021) 17.697 7.006 ( 6.200 0.755 -1.401) 6.401 7.006 ( 6.200 0.755 1.401) 6.401 7.156 ( 11.063 7.383 -4.067) 13.908 7.156 ( 11.063 7.383 4.067) 13.908 7.347 ( -7.370 6.719 -11.144) 14.955 7.347 ( -7.370 6.719 11.144) 14.955 7.554 ( -7.662 4.618 -8.603) 12.411 7.554 ( -7.662 4.618 8.603) 12.411 7.747 ( -4.371 -0.712 -9.647) 10.615 7.747 ( -4.371 -0.712 9.647) 10.615 9.053 ( 9.486 -8.802 -3.063) 13.298 9.053 ( 9.486 -8.802 3.063) 13.298 9.430 ( -5.824 -11.022 -4.539) 13.267 9.430 ( -5.824 -11.022 4.539) 13.267 9.684 ( 12.521 3.529 -9.819) 16.298 9.684 ( 12.521 3.529 9.819) 16.298 9.893 ( 0.660 7.911 -6.021) 9.963 9.893 ( 0.660 7.911 6.021) 9.963 10.026 ( 1.103 6.515 -3.033) 7.270 10.026 ( 1.103 6.515 3.033) 7.270 10.308 ( -15.685 9.038 -10.150) 20.754 10.308 ( -15.685 9.038 10.150) 20.754 11.007 ( 0.402 -1.120 -1.050) 1.587 11.007 ( 0.402 -1.120 1.050) 1.587 11.787 ( -0.366 -8.337 -0.540) 8.362 11.787 ( -0.366 -8.337 0.540) 8.362 12.141 ( 2.804 3.012 -3.324) 5.290 12.141 ( 2.804 3.012 3.324) 5.290 12.589 ( 1.305 -13.029 -1.015) 13.134 12.589 ( 1.305 -13.029 1.015) 13.134 13.572 ( -0.675 -19.597 -2.563) 19.776 13.572 ( -0.675 -19.597 2.563) 19.776 13.860 ( -0.481 -0.949 -1.828) 2.116 13.860 ( -0.481 -0.949 1.829) 2.116 13.903 ( -1.535 -1.489 -7.561) 7.857 13.903 ( -1.535 -1.489 7.561) 7.857 14.378 ( 1.458 18.426 -1.844) 18.575 14.378 ( 1.458 18.426 1.844) 18.575 14.593 ( 0.198 8.810 -1.165) 8.889 14.593 ( 0.198 8.810 1.165) 8.889 15.486 ( 0.063 5.931 -0.342) 5.942 15.486 ( 0.063 5.931 0.342) 5.942 16.252 ( 1.061 -0.167 -0.406) 1.148 16.252 ( 1.061 -0.167 0.406) 1.148 16.330 ( -1.203 -0.922 -1.087) 1.865 16.330 ( -1.203 -0.922 1.087) 1.865 17.372 ( -0.579 3.148 -0.552) 3.248 17.372 ( -0.579 3.148 0.552) 3.248 17.850 ( 0.866 -4.427 -3.495) 5.707 17.850 ( 0.866 -4.427 3.495) 5.707 17.883 ( -0.919 3.222 -2.527) 4.197 17.883 ( -0.919 3.222 2.527) 4.197 18.441 ( -0.025 -1.779 -2.385) 2.976 18.441 ( -0.025 -1.779 2.385) 2.976 18.984 ( -0.364 -9.697 -0.738) 9.732 18.984 ( -0.364 -9.697 0.738) 9.732 20.229 ( -0.348 5.095 -1.954) 5.468 20.229 ( -0.348 5.095 1.954) 5.468 20.334 ( 0.282 2.317 -0.505) 2.388 20.334 ( 0.282 2.317 0.505) 2.388 21.071 ( 0.022 -2.759 -0.188) 2.766 21.071 ( 0.022 -2.759 0.188) 2.766 22.829 ( 2.796 -16.541 -4.568) 17.386 22.829 ( 2.796 -16.541 4.568) 17.386 23.588 ( 2.987 0.554 -2.170) 3.734 23.588 ( 2.987 0.554 2.170) 3.734 23.767 ( -5.008 1.417 -1.264) 5.356 23.767 ( -5.008 1.417 1.264) 5.356 25.844 ( 2.023 -2.304 -0.845) 3.181 25.844 ( 2.023 -2.304 0.845) 3.181 27.230 ( -1.840 -9.514 -3.778) 10.400 27.230 ( -1.840 -9.514 3.778) 10.400 27.917 ( 0.132 20.865 -2.207) 20.982 27.917 ( 0.132 20.865 2.207) 20.982 29.203 ( 0.003 4.583 -3.090) 5.527 29.203 ( 0.003 4.583 3.091) 5.527 33.393 ( 0.572 1.389 -0.789) 1.696 33.393 ( 0.572 1.389 0.789) 1.696 35.165 ( -1.101 -9.710 -4.563) 10.785 35.165 ( -1.101 -9.710 4.563) 10.785 ======================= Grid point 290 (97/105) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.020 ( 0.000 8.831 -14.616) 17.076 6.020 ( 0.000 8.831 14.616) 17.076 6.493 ( 0.000 18.340 -18.914) 26.345 6.493 ( 0.000 18.340 18.914) 26.345 6.905 ( 0.000 3.625 -10.079) 10.711 6.905 ( 0.000 3.625 10.079) 10.711 7.037 ( 0.000 9.808 -18.114) 20.599 7.037 ( 0.000 9.808 18.114) 20.599 7.544 ( 0.000 0.985 -2.433) 2.625 7.544 ( 0.000 0.985 2.433) 2.625 7.857 ( 0.000 8.873 -7.318) 11.501 7.857 ( 0.000 8.873 7.318) 11.501 8.043 ( 0.000 8.247 -3.123) 8.818 8.043 ( 0.000 8.247 3.123) 8.818 8.931 ( 0.000 -0.754 -12.052) 12.076 8.931 ( 0.000 -0.754 12.052) 12.076 9.145 ( 0.000 -2.630 -0.513) 2.679 9.145 ( 0.000 -2.630 0.513) 2.679 9.530 ( 0.000 -0.981 -3.332) 3.473 9.530 ( 0.000 -0.981 3.332) 3.473 9.723 ( 0.000 4.469 -13.766) 14.473 9.723 ( 0.000 4.469 13.766) 14.473 10.329 ( 0.000 4.703 -3.758) 6.020 10.329 ( 0.000 4.703 3.758) 6.020 10.825 ( 0.000 2.428 -6.595) 7.028 10.825 ( 0.000 2.428 6.595) 7.028 10.938 ( 0.000 2.195 -4.573) 5.072 10.938 ( 0.000 2.195 4.573) 5.072 11.698 ( 0.000 -2.758 -7.312) 7.815 11.698 ( 0.000 -2.758 7.312) 7.815 12.043 ( 0.000 -6.999 -1.600) 7.180 12.043 ( 0.000 -6.999 1.600) 7.180 12.213 ( 0.000 -14.131 -6.777) 15.672 12.213 ( 0.000 -14.131 6.777) 15.672 13.216 ( 0.000 -19.297 -8.779) 21.200 13.216 ( 0.000 -19.297 8.779) 21.200 13.897 ( 0.000 -1.068 -2.641) 2.849 13.897 ( 0.000 -1.068 2.641) 2.849 13.935 ( 0.000 -3.721 -18.589) 18.958 13.935 ( 0.000 -3.721 18.589) 18.958 14.674 ( 0.000 19.265 -4.077) 19.692 14.674 ( 0.000 19.265 4.077) 19.692 14.772 ( 0.000 13.237 -0.810) 13.262 14.772 ( 0.000 13.237 0.810) 13.262 15.645 ( 0.000 10.024 -1.585) 10.148 15.645 ( 0.000 10.024 1.585) 10.148 16.177 ( 0.000 -1.913 -3.531) 4.016 16.177 ( 0.000 -1.913 3.531) 4.016 16.343 ( 0.000 -3.870 -2.901) 4.836 16.343 ( 0.000 -3.870 2.901) 4.836 17.486 ( 0.000 5.834 -0.781) 5.886 17.486 ( 0.000 5.834 0.781) 5.886 17.697 ( 0.000 -10.959 -0.962) 11.001 17.697 ( 0.000 -10.959 0.962) 11.001 18.026 ( 0.000 7.424 -1.879) 7.658 18.026 ( 0.000 7.424 1.879) 7.658 18.332 ( 0.000 -6.611 -2.360) 7.019 18.332 ( 0.000 -6.611 2.360) 7.019 18.781 ( 0.000 -12.325 -0.684) 12.344 18.781 ( 0.000 -12.325 0.684) 12.344 20.351 ( 0.000 4.711 -6.463) 7.997 20.351 ( 0.000 4.711 6.463) 7.997 20.445 ( 0.000 10.519 -4.312) 11.369 20.445 ( 0.000 10.519 4.312) 11.369 20.972 ( 0.000 -6.116 -0.781) 6.166 20.972 ( 0.000 -6.116 0.781) 6.166 22.438 ( 0.000 -17.703 -8.770) 19.756 22.438 ( 0.000 -17.703 8.770) 19.756 23.407 ( 0.000 -3.496 -1.925) 3.991 23.407 ( 0.000 -3.496 1.925) 3.991 23.945 ( 0.000 1.419 -0.080) 1.421 23.945 ( 0.000 1.419 0.080) 1.421 25.714 ( 0.000 -0.847 -1.952) 2.128 25.714 ( 0.000 -0.847 1.952) 2.128 27.087 ( 0.000 -14.483 -10.354) 17.803 27.087 ( 0.000 -14.483 10.354) 17.803 28.392 ( 0.000 26.393 -1.615) 26.442 28.392 ( 0.000 26.393 1.615) 26.442 29.312 ( 0.000 5.986 -9.099) 10.892 29.312 ( 0.000 5.986 9.099) 10.892 33.426 ( 0.000 4.881 -1.224) 5.032 33.426 ( 0.000 4.881 1.224) 5.032 34.944 ( 0.000 -17.413 -11.891) 21.085 34.944 ( 0.000 -17.413 11.891) 21.085 ======================= Grid point 292 (98/105) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.969 ( -4.339 8.751 -10.334) 14.220 5.969 ( -4.339 8.751 10.334) 14.220 6.501 ( 0.875 18.171 -15.952) 24.195 6.501 ( 0.875 18.171 15.952) 24.195 6.939 ( 3.536 3.926 -11.749) 12.883 6.939 ( 3.536 3.926 11.749) 12.883 7.124 ( 8.093 9.762 -14.531) 19.286 7.124 ( 8.093 9.762 14.531) 19.286 7.541 ( -1.211 1.656 -6.395) 6.716 7.541 ( -1.211 1.656 6.395) 6.716 7.816 ( -4.125 8.187 -10.863) 14.214 7.816 ( -4.125 8.187 10.863) 14.214 7.959 ( -8.005 8.895 -3.948) 12.601 7.959 ( -8.005 8.895 3.948) 12.601 8.816 ( -2.712 -4.595 -16.097) 16.958 8.816 ( -2.712 -4.595 16.097) 16.958 9.269 ( 1.319 -8.794 -6.135) 10.804 9.269 ( 1.319 -8.794 6.135) 10.804 9.552 ( 6.760 3.534 -9.105) 11.878 9.552 ( 6.760 3.534 9.105) 11.878 9.866 ( 11.961 8.243 -12.314) 19.043 9.866 ( 11.961 8.243 12.314) 19.043 10.276 ( -5.128 5.784 -3.650) 8.549 10.276 ( -5.128 5.784 3.650) 8.549 10.733 ( -8.334 6.838 -7.274) 13.005 10.733 ( -8.334 6.838 7.274) 13.005 10.963 ( 1.940 0.853 -1.994) 2.909 10.963 ( 1.940 0.853 1.994) 2.909 11.668 ( -2.557 -5.017 -3.494) 6.627 11.668 ( -2.557 -5.017 3.494) 6.627 12.062 ( 1.926 -9.150 -2.609) 9.707 12.062 ( 1.926 -9.150 2.609) 9.707 12.247 ( 2.622 -12.873 -5.022) 14.065 12.247 ( 2.622 -12.873 5.022) 14.065 13.199 ( -1.574 -20.138 -7.199) 21.444 13.199 ( -1.574 -20.138 7.199) 21.444 13.874 ( -1.956 -1.235 -1.690) 2.865 13.874 ( -1.956 -1.235 1.690) 2.865 13.911 ( -1.868 -2.552 -14.653) 14.990 13.911 ( -1.868 -2.552 14.653) 14.990 14.701 ( 2.204 19.043 -3.982) 19.579 14.701 ( 2.204 19.043 3.982) 19.579 14.789 ( 1.456 13.205 -2.262) 13.476 14.789 ( 1.456 13.205 2.262) 13.476 15.646 ( 0.093 10.037 -1.408) 10.136 15.646 ( 0.093 10.037 1.408) 10.136 16.197 ( 1.762 -1.679 -3.410) 4.189 16.197 ( 1.762 -1.679 3.410) 4.189 16.324 ( -1.723 -3.983 -2.153) 4.844 16.324 ( -1.723 -3.983 2.153) 4.844 17.465 ( -2.046 3.083 -1.253) 3.907 17.465 ( -2.046 3.083 1.253) 3.907 17.704 ( 0.867 -8.396 -1.856) 8.642 17.704 ( 0.867 -8.396 1.856) 8.642 18.014 ( -1.109 6.879 -2.052) 7.264 18.014 ( -1.109 6.879 2.052) 7.264 18.351 ( 1.700 -5.525 -1.801) 6.054 18.351 ( 1.700 -5.525 1.801) 6.054 18.769 ( -1.131 -12.651 -0.674) 12.719 18.769 ( -1.131 -12.651 0.674) 12.719 20.358 ( 0.595 5.102 -6.992) 8.676 20.358 ( 0.595 5.102 6.992) 8.676 20.427 ( -1.492 9.313 -5.309) 10.823 20.427 ( -1.492 9.313 5.309) 10.823 20.984 ( 0.962 -5.275 -1.100) 5.474 20.984 ( 0.962 -5.275 1.100) 5.474 22.429 ( -0.720 -20.219 -6.850) 21.360 22.429 ( -0.720 -20.219 6.850) 21.360 23.473 ( 6.032 -1.227 -2.425) 6.616 23.473 ( 6.032 -1.227 2.425) 6.616 23.907 ( -3.664 1.941 -0.619) 4.193 23.907 ( -3.664 1.941 0.619) 4.193 25.746 ( 2.805 -1.042 -1.701) 3.442 25.746 ( 2.805 -1.042 1.701) 3.442 27.049 ( -3.349 -14.830 -8.697) 17.515 27.049 ( -3.349 -14.830 8.697) 17.515 28.396 ( 0.350 26.469 -1.336) 26.505 28.396 ( 0.350 26.469 1.336) 26.505 29.312 ( -0.008 5.953 -7.370) 9.474 29.312 ( -0.008 5.953 7.370) 9.474 33.434 ( 0.635 4.693 -1.068) 4.855 33.434 ( 0.635 4.693 1.068) 4.855 34.928 ( -1.437 -17.193 -9.666) 19.776 34.928 ( -1.437 -17.193 9.666) 19.776 ======================= Grid point 294 (99/105) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.889 ( -2.540 8.873 -3.234) 9.780 5.889 ( -2.540 8.873 3.234) 9.780 6.519 ( 0.549 18.333 -6.545) 19.474 6.519 ( 0.549 18.333 6.545) 19.474 7.050 ( 6.322 3.796 -7.316) 10.388 7.050 ( 6.322 3.796 7.316) 10.388 7.281 ( 2.770 5.087 -4.671) 7.441 7.281 ( 2.770 5.087 4.671) 7.441 7.510 ( 3.129 6.783 -4.804) 8.881 7.510 ( 3.129 6.783 4.804) 8.881 7.707 ( -9.947 11.855 -0.776) 15.495 7.707 ( -9.947 11.855 0.776) 15.495 7.773 ( -4.786 4.774 -5.933) 8.995 7.773 ( -4.786 4.774 5.933) 8.995 8.881 ( 6.583 -6.914 -8.728) 12.935 8.881 ( 6.583 -6.914 8.728) 12.935 9.171 ( -7.121 -14.250 -5.326) 16.797 9.171 ( -7.121 -14.250 5.326) 16.797 9.768 ( 10.496 4.902 -4.502) 12.428 9.768 ( 10.496 4.902 4.502) 12.428 10.101 ( 1.142 11.183 -5.835) 12.665 10.101 ( 1.142 11.183 5.835) 12.665 10.161 ( 2.856 8.239 -1.087) 8.787 10.161 ( 2.856 8.239 1.087) 8.787 10.527 ( -10.229 11.808 -6.207) 16.811 10.527 ( -10.229 11.808 6.207) 16.811 11.000 ( 1.281 1.501 -0.502) 2.036 11.000 ( 1.281 1.501 0.502) 2.036 11.619 ( -1.627 -8.094 -0.599) 8.277 11.619 ( -1.627 -8.094 0.599) 8.277 12.105 ( 1.598 -11.615 -1.655) 11.841 12.105 ( 1.598 -11.615 1.655) 11.841 12.292 ( 1.334 -12.213 -1.700) 12.403 12.292 ( 1.334 -12.213 1.700) 12.403 13.166 ( -1.225 -21.513 -2.820) 21.731 13.166 ( -1.225 -21.513 2.820) 21.731 13.838 ( -1.138 -1.211 -0.268) 1.683 13.838 ( -1.138 -1.211 0.268) 1.683 13.879 ( -0.988 -1.131 -5.202) 5.414 13.879 ( -0.988 -1.131 5.202) 5.414 14.739 ( 1.119 18.503 -1.768) 18.621 14.739 ( 1.119 18.503 1.768) 18.621 14.817 ( 0.947 13.505 -1.272) 13.598 14.817 ( 0.947 13.505 1.272) 13.598 15.649 ( 0.118 10.141 -0.631) 10.161 15.649 ( 0.118 10.141 0.631) 10.161 16.236 ( 1.668 -1.454 -2.196) 3.118 16.236 ( 1.668 -1.454 2.196) 3.118 16.286 ( -1.583 -4.013 -0.502) 4.344 16.286 ( -1.583 -4.013 0.502) 4.344 17.421 ( -1.559 -0.579 -0.802) 1.847 17.421 ( -1.559 -0.579 0.802) 1.847 17.726 ( 0.896 -5.127 -1.233) 5.349 17.726 ( 0.896 -5.127 1.233) 5.349 17.991 ( -0.812 6.228 -1.155) 6.386 17.991 ( -0.812 6.228 1.155) 6.386 18.385 ( 1.160 -3.744 -0.639) 3.972 18.385 ( 1.160 -3.744 0.639) 3.972 18.745 ( -0.846 -13.420 -0.336) 13.451 18.745 ( -0.846 -13.420 0.336) 13.451 20.371 ( 0.638 7.600 -6.891) 10.278 20.371 ( 0.638 7.600 6.891) 10.278 20.398 ( -1.124 5.663 -6.271) 8.524 20.398 ( -1.124 5.663 6.271) 8.524 21.001 ( 0.528 -4.066 -0.584) 4.141 21.001 ( 0.528 -4.066 0.584) 4.141 22.416 ( -0.387 -23.858 -2.490) 23.991 22.416 ( -0.387 -23.858 2.490) 23.991 23.619 ( 7.213 2.415 -2.307) 7.949 23.619 ( 7.213 2.415 2.307) 7.949 23.805 ( -5.822 2.355 -1.434) 6.442 23.805 ( -5.822 2.355 1.434) 6.442 25.802 ( 1.965 -1.190 -0.780) 2.426 25.802 ( 1.965 -1.190 0.780) 2.426 26.982 ( -2.294 -15.537 -3.566) 16.106 26.982 ( -2.294 -15.537 3.566) 16.106 28.402 ( 0.216 26.599 -0.527) 26.605 28.402 ( 0.216 26.599 0.527) 26.605 29.312 ( -0.006 5.898 -2.821) 6.538 29.312 ( -0.006 5.898 2.821) 6.538 33.446 ( 0.409 4.384 -0.457) 4.426 33.446 ( 0.409 4.384 0.457) 4.426 34.900 ( -0.904 -16.832 -3.723) 17.262 34.900 ( -0.904 -16.832 3.723) 17.262 ======================= Grid point 300 (100/105) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.203 ( 0.000 8.889 -5.148) 10.272 6.203 ( 0.000 8.889 5.148) 10.272 6.825 ( 0.000 16.337 -10.150) 19.233 6.825 ( 0.000 16.337 10.150) 19.233 6.974 ( 0.000 2.476 -7.259) 7.669 6.974 ( 0.000 2.476 7.259) 7.669 7.157 ( 0.000 2.015 -15.549) 15.679 7.157 ( 0.000 2.015 15.549) 15.679 7.578 ( 0.000 3.491 -3.102) 4.670 7.578 ( 0.000 3.491 3.102) 4.670 8.054 ( 0.000 8.340 -6.366) 10.492 8.054 ( 0.000 8.340 6.366) 10.492 8.156 ( 0.000 -1.553 -14.661) 14.743 8.156 ( 0.000 -1.553 14.661) 14.743 8.886 ( 0.000 1.669 -23.376) 23.435 8.886 ( 0.000 1.669 23.376) 23.435 9.185 ( 0.000 7.794 -5.685) 9.647 9.185 ( 0.000 7.794 5.685) 9.647 9.511 ( 0.000 0.156 -2.719) 2.723 9.511 ( 0.000 0.156 2.719) 2.723 9.879 ( 0.000 8.288 -10.526) 13.397 9.879 ( 0.000 8.288 10.526) 13.397 10.381 ( 0.000 1.092 -3.127) 3.312 10.381 ( 0.000 1.092 3.127) 3.312 10.897 ( 0.000 3.244 -1.862) 3.741 10.897 ( 0.000 3.244 1.862) 3.741 11.040 ( 0.000 7.752 -5.676) 9.608 11.040 ( 0.000 7.752 5.676) 9.608 11.585 ( 0.000 -17.243 -10.360) 20.115 11.585 ( 0.000 -17.243 10.360) 20.115 11.775 ( 0.000 -2.681 -5.202) 5.852 11.775 ( 0.000 -2.681 5.202) 5.852 12.076 ( 0.000 -6.590 -6.509) 9.263 12.076 ( 0.000 -6.590 6.509) 9.263 12.844 ( 0.000 -18.514 -9.441) 20.783 12.844 ( 0.000 -18.514 9.441) 20.783 13.828 ( 0.000 -4.531 -9.097) 10.162 13.828 ( 0.000 -4.531 9.097) 10.162 13.892 ( 0.000 -1.147 -1.168) 1.637 13.892 ( 0.000 -1.147 1.168) 1.637 15.041 ( 0.000 15.461 -0.872) 15.485 15.041 ( 0.000 15.461 0.872) 15.485 15.063 ( 0.000 17.965 -1.712) 18.047 15.063 ( 0.000 17.965 1.712) 18.047 15.805 ( 0.000 2.479 -2.903) 3.817 15.805 ( 0.000 2.479 2.903) 3.817 16.176 ( 0.000 4.252 -7.372) 8.510 16.176 ( 0.000 4.252 7.372) 8.510 16.244 ( 0.000 -4.834 -0.579) 4.868 16.244 ( 0.000 -4.834 0.579) 4.868 17.371 ( 0.000 -19.535 -3.562) 19.857 17.371 ( 0.000 -19.535 3.562) 19.857 17.640 ( 0.000 7.057 -0.245) 7.061 17.640 ( 0.000 7.057 0.245) 7.061 18.140 ( 0.000 2.064 -0.060) 2.065 18.140 ( 0.000 2.064 0.060) 2.065 18.223 ( 0.000 -3.042 -1.981) 3.631 18.223 ( 0.000 -3.042 1.981) 3.631 18.571 ( 0.000 -7.926 -0.118) 7.926 18.571 ( 0.000 -7.926 0.118) 7.926 20.439 ( 0.000 4.639 -3.246) 5.662 20.439 ( 0.000 4.639 3.246) 5.662 20.697 ( 0.000 12.720 -5.453) 13.840 20.697 ( 0.000 12.720 5.453) 13.840 20.851 ( 0.000 -4.384 -2.661) 5.128 20.851 ( 0.000 -4.384 2.661) 5.128 22.057 ( 0.000 -19.930 -3.602) 20.253 22.057 ( 0.000 -19.930 3.602) 20.253 23.377 ( 0.000 -0.246 -1.719) 1.736 23.377 ( 0.000 -0.246 1.719) 1.736 23.975 ( 0.000 1.442 -0.495) 1.525 23.975 ( 0.000 1.442 0.495) 1.525 25.733 ( 0.000 2.999 -0.168) 3.003 25.733 ( 0.000 2.999 0.168) 3.003 26.778 ( 0.000 -16.168 -7.973) 18.027 26.778 ( 0.000 -16.168 7.973) 18.027 28.870 ( 0.000 21.357 -2.710) 21.528 28.870 ( 0.000 21.357 2.710) 21.528 29.410 ( 0.000 3.395 -8.002) 8.692 29.410 ( 0.000 3.395 8.002) 8.692 33.568 ( 0.000 9.877 -0.414) 9.885 33.568 ( 0.000 9.877 0.414) 9.885 34.566 ( 0.000 -20.537 -8.533) 22.239 34.566 ( 0.000 -20.537 8.533) 22.239 ======================= Grid point 302 (101/105) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.164 ( -3.312 10.414 -3.989) 11.634 6.164 ( -3.312 10.414 3.989) 11.634 6.772 ( -2.954 8.615 -7.654) 11.897 6.772 ( -2.954 8.615 7.654) 11.897 7.039 ( 4.817 6.454 -11.720) 14.220 7.039 ( 4.817 6.454 11.720) 14.220 7.246 ( 7.291 2.035 -15.777) 17.499 7.246 ( 7.291 2.035 15.777) 17.499 7.581 ( 0.047 3.959 -6.765) 7.839 7.581 ( 0.047 3.959 6.765) 7.839 8.018 ( -3.836 8.669 -9.118) 13.153 8.018 ( -3.836 8.669 9.118) 13.153 8.090 ( -6.255 1.583 -8.508) 10.678 8.090 ( -6.255 1.583 8.508) 10.678 8.758 ( -5.194 -0.438 -22.451) 23.048 8.758 ( -5.194 -0.438 22.451) 23.048 9.172 ( -4.999 3.939 -3.841) 7.433 9.172 ( -4.999 3.939 3.841) 7.433 9.640 ( 11.303 4.034 -6.955) 13.871 9.640 ( 11.303 4.034 6.955) 13.871 10.034 ( 13.010 7.666 -11.127) 18.758 10.034 ( 13.010 7.666 11.127) 18.758 10.366 ( -1.438 3.372 -3.832) 5.303 10.366 ( -1.438 3.372 3.832) 5.303 10.844 ( -5.353 3.157 -4.050) 7.418 10.844 ( -5.353 3.157 4.050) 7.418 11.063 ( 2.196 8.998 -4.844) 10.452 11.063 ( 2.196 8.998 4.844) 10.452 11.550 ( -3.359 -13.943 -9.361) 17.127 11.550 ( -3.359 -13.943 9.361) 17.127 11.750 ( -1.448 -7.732 -11.382) 13.836 11.750 ( -1.448 -7.732 11.382) 13.836 12.103 ( 2.021 -7.218 -6.452) 9.890 12.103 ( 2.021 -7.218 6.452) 9.890 12.807 ( -3.259 -19.687 -7.957) 21.483 12.807 ( -3.259 -19.687 7.957) 21.483 13.822 ( -0.430 -3.161 -7.281) 7.949 13.822 ( -0.430 -3.161 7.281) 7.949 13.880 ( -1.024 -0.892 -1.612) 2.108 13.880 ( -1.024 -0.892 1.612) 2.108 15.057 ( 1.465 15.440 -2.183) 15.662 15.057 ( 1.465 15.440 2.183) 15.662 15.084 ( 1.610 17.759 -2.973) 18.078 15.084 ( 1.610 17.759 2.973) 18.078 15.806 ( 0.176 2.631 -2.502) 3.635 15.806 ( 0.176 2.631 2.502) 3.635 16.190 ( 0.005 -1.053 -7.967) 8.037 16.190 ( 0.005 -1.053 7.967) 8.037 16.226 ( -0.413 -0.426 -1.366) 1.490 16.226 ( -0.413 -0.426 1.366) 1.490 17.322 ( -3.867 -17.221 -3.258) 17.948 17.322 ( -3.867 -17.221 3.258) 17.948 17.682 ( 3.248 5.559 -0.545) 6.462 17.682 ( 3.248 5.559 0.545) 6.462 18.111 ( -2.186 1.183 -1.757) 3.044 18.111 ( -2.186 1.183 1.757) 3.044 18.262 ( 3.089 -2.358 -2.348) 4.541 18.262 ( 3.089 -2.358 2.348) 4.541 18.554 ( -1.634 -8.082 -1.215) 8.335 18.554 ( -1.634 -8.082 1.215) 8.335 20.444 ( 0.460 4.350 -3.153) 5.392 20.444 ( 0.460 4.350 3.153) 5.392 20.645 ( -3.675 9.571 -4.832) 11.334 20.645 ( -3.675 9.571 4.832) 11.334 20.899 ( 3.358 -0.802 -3.129) 4.659 20.899 ( 3.358 -0.802 3.129) 4.659 22.013 ( -3.586 -21.207 -2.682) 21.675 22.013 ( -3.586 -21.207 2.682) 21.675 23.474 ( 8.606 0.802 -2.272) 8.937 23.474 ( 8.606 0.802 2.272) 8.937 23.945 ( -3.010 1.752 -0.033) 3.483 23.945 ( -3.010 1.752 0.033) 3.483 25.764 ( 2.785 3.158 -0.975) 4.322 25.764 ( 2.785 3.158 0.975) 4.322 26.731 ( -4.214 -16.814 -6.861) 18.643 26.731 ( -4.214 -16.814 6.861) 18.643 28.877 ( 0.590 21.587 -2.236) 21.711 28.877 ( 0.590 21.587 2.236) 21.711 29.408 ( -0.163 3.220 -6.540) 7.291 29.408 ( -0.163 3.220 6.540) 7.291 33.572 ( 0.288 9.661 -0.386) 9.673 33.572 ( 0.288 9.661 0.386) 9.673 34.554 ( -1.050 -20.307 -6.937) 21.485 34.554 ( -1.050 -20.307 6.937) 21.485 ======================= Grid point 304 (102/105) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.103 ( -1.930 12.672 -1.540) 12.910 6.103 ( -1.930 12.672 1.540) 12.910 6.734 ( -0.862 2.534 -4.510) 5.244 6.734 ( -0.862 2.534 4.510) 5.244 7.153 ( 5.702 6.371 -10.557) 13.585 7.153 ( 5.702 6.371 10.557) 13.585 7.337 ( -0.743 0.752 -1.233) 1.624 7.337 ( -0.743 0.752 1.233) 1.624 7.625 ( 6.167 5.961 -6.223) 10.597 7.625 ( 6.167 5.961 6.223) 10.597 7.878 ( -9.836 4.288 -6.037) 12.311 7.878 ( -9.836 4.288 6.037) 12.311 7.972 ( -2.769 12.139 -3.749) 13.003 7.972 ( -2.769 12.139 3.749) 13.003 8.774 ( 4.711 -10.561 -12.880) 17.310 8.774 ( 4.711 -10.561 12.880) 17.310 9.028 ( -7.143 9.316 -5.225) 12.850 9.028 ( -7.143 9.316 5.225) 12.850 9.846 ( 6.818 2.096 -3.788) 8.076 9.846 ( 6.818 2.096 3.788) 8.076 10.274 ( 4.318 5.974 -5.065) 8.944 10.274 ( 4.318 5.974 5.065) 8.944 10.360 ( 5.238 11.631 -1.582) 12.854 10.360 ( 5.238 11.631 1.582) 12.854 10.695 ( -7.954 3.537 -4.906) 9.992 10.695 ( -7.954 3.537 4.906) 9.992 11.113 ( 2.033 10.646 -2.433) 11.108 11.113 ( 2.033 10.646 2.433) 11.108 11.477 ( -2.649 -9.865 -3.212) 10.708 11.477 ( -2.649 -9.865 3.212) 10.708 11.734 ( -0.261 -15.664 -5.176) 16.499 11.734 ( -0.261 -15.664 5.176) 16.499 12.137 ( 1.000 -7.879 -2.882) 8.449 12.137 ( 1.000 -7.879 2.882) 8.449 12.741 ( -2.334 -21.772 -3.321) 22.147 12.741 ( -2.334 -21.772 3.321) 22.147 13.817 ( -0.042 -0.763 -2.907) 3.006 13.817 ( -0.042 -0.763 2.907) 3.006 13.859 ( -0.759 -0.841 -1.177) 1.634 13.859 ( -0.759 -0.841 1.177) 1.634 15.091 ( 1.565 16.076 -2.971) 16.423 15.091 ( 1.565 16.076 2.971) 16.423 15.106 ( 0.250 16.887 -3.376) 17.223 15.106 ( 0.250 16.887 3.376) 17.223 15.814 ( 0.438 3.469 -1.096) 3.664 15.814 ( 0.438 3.469 1.096) 3.664 16.154 ( -1.756 -9.212 -1.876) 9.563 16.154 ( -1.756 -9.212 1.876) 9.563 16.252 ( 1.338 5.663 -1.089) 5.920 16.252 ( 1.338 5.663 1.089) 5.920 17.254 ( -2.160 -15.235 -1.482) 15.458 17.254 ( -2.160 -15.235 1.482) 15.458 17.739 ( 1.833 4.979 -0.585) 5.338 17.739 ( 1.833 4.979 0.585) 5.338 18.072 ( -1.295 0.371 -0.854) 1.595 18.072 ( -1.295 0.371 0.854) 1.595 18.324 ( 2.305 -1.362 -1.275) 2.965 18.324 ( 2.305 -1.362 1.275) 2.965 18.515 ( -1.647 -8.909 -1.066) 9.123 18.515 ( -1.647 -8.909 1.066) 9.123 20.456 ( 0.515 3.833 -1.850) 4.287 20.456 ( 0.515 3.833 1.850) 4.287 20.583 ( -1.931 8.187 -2.433) 8.757 20.583 ( -1.931 8.187 2.433) 8.757 20.953 ( 1.537 1.413 -1.375) 2.500 20.953 ( 1.537 1.413 1.375) 2.500 21.950 ( -1.960 -23.168 -0.924) 23.269 21.950 ( -1.960 -23.168 0.924) 23.269 23.670 ( 9.409 2.486 -2.160) 9.969 23.670 ( 9.409 2.486 2.160) 9.969 23.851 ( -6.251 2.096 -1.064) 6.678 23.851 ( -6.251 2.096 1.064) 6.678 25.824 ( 2.213 3.875 -0.781) 4.530 25.824 ( 2.213 3.875 0.781) 4.530 26.644 ( -3.088 -18.336 -2.982) 18.831 26.644 ( -3.088 -18.336 2.982) 18.831 28.888 ( 0.371 21.979 -0.884) 22.000 28.888 ( 0.371 21.979 0.884) 22.000 29.405 ( -0.106 2.917 -2.542) 3.871 29.405 ( -0.106 2.917 2.542) 3.871 33.577 ( 0.189 9.306 -0.180) 9.310 33.577 ( 0.189 9.306 0.180) 9.310 34.534 ( -0.660 -19.929 -2.673) 20.119 34.534 ( -0.660 -19.929 2.673) 20.119 ======================= Grid point 310 (103/105) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.332 ( 0.000 3.706 -0.136) 3.708 6.332 ( 0.000 3.706 0.136) 3.708 6.980 ( 0.000 -0.846 -1.997) 2.168 6.980 ( 0.000 -0.846 1.997) 2.168 7.126 ( 0.000 11.287 -17.475) 20.804 7.126 ( 0.000 11.287 17.475) 20.804 7.185 ( 0.000 2.205 -24.380) 24.480 7.185 ( 0.000 2.205 24.380) 24.480 7.630 ( 0.000 0.487 -3.469) 3.503 7.630 ( 0.000 0.487 3.469) 3.503 7.967 ( 0.000 -9.765 -14.776) 17.711 7.967 ( 0.000 -9.765 14.776) 17.711 8.155 ( 0.000 1.118 -0.065) 1.120 8.155 ( 0.000 1.118 0.065) 1.120 8.956 ( 0.000 2.250 -8.078) 8.386 8.956 ( 0.000 2.250 8.078) 8.386 9.504 ( 0.000 20.524 -3.701) 20.855 9.504 ( 0.000 20.524 3.701) 20.855 9.522 ( 0.000 0.569 -0.451) 0.726 9.522 ( 0.000 0.569 0.451) 0.726 9.939 ( 0.000 -4.210 -7.600) 8.688 9.939 ( 0.000 -4.210 7.600) 8.688 10.394 ( 0.000 0.493 -1.392) 1.477 10.394 ( 0.000 0.493 1.392) 1.477 10.887 ( 0.000 -3.599 -5.830) 6.851 10.887 ( 0.000 -3.599 5.830) 6.851 11.088 ( 0.000 -5.816 -10.047) 11.609 11.088 ( 0.000 -5.816 10.047) 11.609 11.381 ( 0.000 4.224 -3.747) 5.647 11.381 ( 0.000 4.224 3.747) 5.647 11.869 ( 0.000 4.412 -14.650) 15.300 11.869 ( 0.000 4.412 14.650) 15.300 11.920 ( 0.000 -5.316 -12.683) 13.752 11.920 ( 0.000 -5.316 12.683) 13.752 12.529 ( 0.000 -11.539 -6.190) 13.094 12.529 ( 0.000 -11.539 6.190) 13.095 13.762 ( 0.000 -1.881 -4.009) 4.428 13.762 ( 0.000 -1.881 4.009) 4.428 13.876 ( 0.000 -0.455 -0.336) 0.566 13.876 ( 0.000 -0.455 0.336) 0.566 15.308 ( 0.000 11.294 -0.509) 11.306 15.308 ( 0.000 11.294 0.509) 11.306 15.362 ( 0.000 9.265 -1.920) 9.462 15.362 ( 0.000 9.265 1.920) 9.462 15.711 ( 0.000 -7.768 -2.270) 8.093 15.711 ( 0.000 -7.768 2.270) 8.093 16.117 ( 0.000 -4.527 -3.415) 5.671 16.117 ( 0.000 -4.527 3.415) 5.671 16.442 ( 0.000 16.818 -2.701) 17.034 16.442 ( 0.000 16.818 2.701) 17.034 16.955 ( 0.000 -20.396 -4.047) 20.793 16.955 ( 0.000 -20.396 4.047) 20.793 17.764 ( 0.000 4.421 -0.175) 4.424 17.764 ( 0.000 4.421 0.175) 4.424 18.089 ( 0.000 -3.540 -1.042) 3.690 18.089 ( 0.000 -3.540 1.042) 3.690 18.220 ( 0.000 0.226 -1.075) 1.098 18.220 ( 0.000 0.226 1.075) 1.098 18.493 ( 0.000 -0.959 -0.923) 1.331 18.493 ( 0.000 -0.959 0.923) 1.331 20.533 ( 0.000 4.533 -1.585) 4.802 20.533 ( 0.000 4.533 1.585) 4.802 20.689 ( 0.000 -5.332 -1.531) 5.547 20.689 ( 0.000 -5.332 1.531) 5.547 21.017 ( 0.000 11.297 -0.687) 11.318 21.017 ( 0.000 11.297 0.687) 11.318 21.713 ( 0.000 -12.901 -0.307) 12.905 21.713 ( 0.000 -12.901 0.307) 12.905 23.379 ( 0.000 0.193 -0.633) 0.661 23.379 ( 0.000 0.193 0.633) 0.661 23.996 ( 0.000 0.565 -0.260) 0.622 23.996 ( 0.000 0.565 0.260) 0.622 25.813 ( 0.000 3.775 -0.723) 3.844 25.813 ( 0.000 3.775 0.723) 3.844 26.512 ( 0.000 -8.915 -3.576) 9.605 26.512 ( 0.000 -8.915 3.576) 9.605 29.188 ( 0.000 10.054 -3.610) 10.683 29.188 ( 0.000 10.054 3.610) 10.683 29.431 ( 0.000 -0.995 -5.152) 5.247 29.431 ( 0.000 -0.995 5.152) 5.247 33.814 ( 0.000 14.999 -2.500) 15.206 33.814 ( 0.000 14.999 2.500) 15.206 34.171 ( 0.000 -19.109 -5.223) 19.810 34.171 ( 0.000 -19.109 5.223) 19.810 ======================= Grid point 312 (104/105) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.333 ( 0.409 5.557 -1.882) 5.881 6.333 ( 0.409 5.557 1.882) 5.881 6.836 ( -9.895 -0.334 -6.070) 11.614 6.836 ( -9.895 -0.334 6.070) 11.614 7.182 ( 3.925 5.994 -12.023) 13.996 7.182 ( 3.925 5.994 12.023) 13.996 7.269 ( 5.373 1.386 -15.596) 16.553 7.269 ( 5.373 1.386 15.596) 16.553 7.653 ( 2.273 2.206 -2.020) 3.757 7.653 ( 2.273 2.206 2.020) 3.757 7.945 ( -2.311 -7.217 -10.585) 13.018 7.945 ( -2.311 -7.217 10.585) 13.018 8.174 ( 1.728 2.760 -2.157) 3.906 8.174 ( 1.728 2.760 2.157) 3.906 8.742 ( -14.602 -0.992 -7.735) 16.554 8.742 ( -14.602 -0.992 7.735) 16.554 9.473 ( -1.905 20.046 -2.445) 20.284 9.473 ( -1.905 20.046 2.445) 20.284 9.679 ( 8.687 -0.942 -9.745) 13.089 9.679 ( 8.687 -0.942 9.745) 13.089 10.097 ( 14.002 -2.047 -9.391) 16.984 10.097 ( 14.002 -2.047 9.391) 16.984 10.414 ( 2.099 1.335 -1.332) 2.821 10.414 ( 2.099 1.335 1.332) 2.821 10.859 ( -3.189 0.228 -8.240) 8.838 10.859 ( -3.189 0.228 8.240) 8.838 11.083 ( -0.134 -11.278 -10.871) 15.665 11.083 ( -0.134 -11.278 10.871) 15.665 11.380 ( 0.065 6.875 -5.667) 8.910 11.380 ( 0.065 6.875 5.667) 8.910 11.801 ( -5.381 2.829 -15.897) 17.020 11.801 ( -5.381 2.829 15.897) 17.020 11.956 ( 2.541 -3.678 -13.937) 14.636 11.956 ( 2.541 -3.678 13.937) 14.636 12.465 ( -5.794 -13.031 -5.872) 15.423 12.465 ( -5.794 -13.031 5.872) 15.423 13.776 ( 1.346 -1.279 -3.359) 3.838 13.776 ( 1.346 -1.279 3.359) 3.838 13.868 ( -0.740 -0.329 -0.572) 0.991 13.868 ( -0.740 -0.329 0.572) 0.991 15.328 ( 1.868 11.543 -0.547) 11.706 15.328 ( 1.868 11.543 0.547) 11.706 15.386 ( 2.044 10.178 -2.376) 10.649 15.386 ( 2.044 10.178 2.376) 10.649 15.714 ( 0.625 -8.040 -1.963) 8.300 15.714 ( 0.625 -8.040 1.963) 8.300 16.062 ( -5.174 -6.024 -2.772) 8.411 16.062 ( -5.174 -6.024 2.772) 8.411 16.466 ( 2.048 17.120 -2.585) 17.435 16.466 ( 2.048 17.120 2.585) 17.435 16.935 ( -1.732 -19.921 -3.466) 20.294 16.935 ( -1.732 -19.921 3.466) 20.294 17.794 ( 2.627 4.419 -0.394) 5.156 17.794 ( 2.627 4.419 0.394) 5.156 18.061 ( -2.470 -3.637 -1.076) 4.526 18.061 ( -2.470 -3.637 1.076) 4.526 18.251 ( 2.918 -0.032 -1.624) 3.339 18.251 ( 2.918 -0.032 1.624) 3.339 18.473 ( -1.898 -0.998 -1.275) 2.495 18.473 ( -1.898 -0.998 1.275) 2.495 20.531 ( -0.053 4.206 -1.604) 4.502 20.531 ( -0.053 4.206 1.604) 4.502 20.664 ( -2.127 -3.905 -2.116) 4.924 20.664 ( -2.127 -3.905 2.116) 4.924 21.057 ( 3.512 11.481 -1.537) 12.104 21.057 ( 3.512 11.481 1.537) 12.104 21.644 ( -5.905 -14.511 -0.471) 15.674 21.644 ( -5.905 -14.511 0.471) 15.674 23.489 ( 9.664 0.502 -0.905) 9.719 23.489 ( 9.664 0.502 0.905) 9.719 23.970 ( -2.650 0.677 -0.091) 2.736 23.970 ( -2.650 0.677 0.091) 2.736 25.854 ( 3.977 4.578 -1.050) 6.154 25.854 ( 3.977 4.578 1.050) 6.154 26.447 ( -6.022 -9.920 -3.298) 12.064 26.447 ( -6.022 -9.920 3.298) 12.064 29.203 ( 1.345 10.744 -3.303) 11.321 29.203 ( 1.345 10.744 3.303) 11.321 29.421 ( -0.844 -1.658 -4.557) 4.923 29.421 ( -0.844 -1.658 4.557) 4.923 33.814 ( -0.021 14.919 -2.053) 15.060 33.814 ( -0.021 14.919 2.053) 15.060 34.163 ( -0.730 -19.027 -4.269) 19.514 34.163 ( -0.730 -19.027 4.269) 19.514 ======================= Grid point 314 (105/105) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.358 ( 1.641 11.980 -2.279) 12.305 6.358 ( 1.641 11.980 2.279) 12.305 6.658 ( -6.081 -7.911 -4.310) 10.869 6.658 ( -6.081 -7.911 4.310) 10.869 7.268 ( 3.610 4.452 -6.066) 8.346 7.268 ( 3.610 4.452 6.066) 8.346 7.334 ( 0.748 -0.872 -3.765) 3.937 7.334 ( 0.748 -0.872 3.765) 3.937 7.727 ( 4.786 3.819 -3.202) 6.909 7.727 ( 4.786 3.819 3.202) 6.909 7.868 ( -4.971 -2.867 -2.774) 6.374 7.868 ( -4.971 -2.867 2.774) 6.374 8.205 ( 0.803 10.787 -4.925) 11.885 8.205 ( 0.803 10.787 4.925) 11.885 8.519 ( -5.866 -12.070 -5.740) 14.596 8.519 ( -5.866 -12.070 5.740) 14.596 9.440 ( -1.001 25.205 -1.288) 25.258 9.440 ( -1.001 25.205 1.288) 25.258 9.798 ( 3.000 -9.116 -4.163) 10.461 9.798 ( 3.000 -9.116 4.163) 10.461 10.355 ( 7.045 3.399 -4.027) 8.798 10.355 ( 7.045 3.399 4.027) 8.798 10.499 ( 6.931 -2.815 -2.652) 7.937 10.499 ( 6.931 -2.815 2.652) 7.937 10.751 ( -6.681 10.294 -8.080) 14.693 10.751 ( -6.681 10.294 8.080) 14.693 11.088 ( 0.383 -20.749 -6.258) 21.676 11.088 ( 0.383 -20.749 6.258) 21.676 11.398 ( 1.743 14.022 -4.485) 14.825 11.398 ( 1.743 14.022 4.485) 14.825 11.680 ( -5.219 -1.669 -7.786) 9.521 11.680 ( -5.219 -1.669 7.786) 9.521 12.018 ( 2.967 1.096 -6.219) 6.977 12.018 ( 2.967 1.096 6.219) 6.977 12.337 ( -5.127 -18.019 -3.659) 19.089 12.337 ( -5.127 -18.019 3.659) 19.089 13.809 ( 1.671 -0.123 -1.986) 2.599 13.809 ( 1.671 -0.123 1.986) 2.599 13.847 ( -1.305 -0.389 -1.025) 1.704 13.847 ( -1.305 -0.389 1.025) 1.704 15.370 ( 1.676 11.950 -0.525) 12.078 15.370 ( 1.676 11.950 0.525) 12.078 15.418 ( 0.662 11.652 -1.543) 11.772 15.418 ( 0.662 11.652 1.543) 11.772 15.752 ( 2.955 -6.019 -0.746) 6.747 15.752 ( 2.955 -6.019 0.746) 6.747 15.938 ( -5.682 -10.852 -1.331) 12.322 15.938 ( -5.682 -10.852 1.331) 12.322 16.507 ( 1.443 17.943 -1.271) 18.045 16.507 ( 1.443 17.943 1.271) 18.045 16.901 ( -1.161 -19.578 -1.510) 19.670 16.901 ( -1.161 -19.578 1.510) 19.670 17.851 ( 2.349 5.579 -0.435) 6.069 17.851 ( 2.349 5.579 0.435) 6.069 18.005 ( -2.371 -5.274 -0.527) 5.807 18.005 ( -2.371 -5.274 0.527) 5.807 18.326 ( 3.976 0.383 -1.535) 4.279 18.326 ( 3.976 0.383 1.535) 4.279 18.418 ( -3.323 -1.516 -1.480) 3.941 18.418 ( -3.323 -1.516 1.480) 3.941 20.535 ( 0.327 4.110 -1.035) 4.251 20.535 ( 0.327 4.110 1.035) 4.251 20.621 ( -1.543 -2.741 -1.347) 3.422 20.621 ( -1.543 -2.741 1.347) 3.422 21.130 ( 2.714 14.587 -0.965) 14.869 21.130 ( 2.714 14.587 0.965) 14.869 21.529 ( -3.971 -19.183 -0.434) 19.594 21.529 ( -3.971 -19.183 0.434) 19.594 23.706 ( 10.391 1.015 -0.863) 10.476 23.706 ( 10.391 1.015 0.863) 10.476 23.880 ( -6.402 0.830 -0.385) 6.467 23.880 ( -6.402 0.830 0.385) 6.467 25.957 ( 4.913 8.894 -1.097) 10.220 25.957 ( 4.913 8.894 1.097) 10.220 26.305 ( -6.187 -14.583 -1.942) 15.960 26.305 ( -6.187 -14.583 1.942) 15.960 29.231 ( 1.011 12.561 -1.657) 12.710 29.231 ( 1.011 12.561 1.657) 12.710 29.403 ( -0.700 -3.431 -2.140) 4.104 29.403 ( -0.700 -3.431 2.140) 4.104 33.813 ( -0.002 14.808 -0.806) 14.830 33.813 ( -0.002 14.808 0.806) 14.830 34.149 ( -0.462 -18.913 -1.661) 18.991 34.149 ( -0.462 -18.913 1.661) 18.991 =================== 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 3/45360 10.0 3485.810 3396.275 2088.914 0.000 0.000 0.000 3/45360 20.0 5371.386 5890.069 4520.275 0.000 0.000 0.000 3/45360 30.0 2841.881 3476.357 3144.962 0.000 0.000 0.000 3/45360 40.0 1444.791 1899.450 1849.203 0.000 0.000 0.000 3/45360 50.0 713.449 1015.057 1008.183 0.000 0.000 0.000 3/45360 60.0 380.067 578.837 579.875 0.000 0.000 0.000 3/45360 70.0 224.724 361.484 365.003 0.000 0.000 0.000 3/45360 80.0 145.991 245.014 249.434 0.000 0.000 0.000 3/45360 90.0 102.348 177.415 182.046 0.000 0.000 0.000 3/45360 100.0 76.166 135.314 139.830 0.000 0.000 0.000 3/45360 110.0 59.381 107.497 111.757 0.000 0.000 0.000 3/45360 120.0 48.015 88.196 92.150 0.000 0.000 0.000 3/45360 130.0 39.961 74.249 77.894 0.000 0.000 0.000 3/45360 140.0 34.034 63.822 67.176 0.000 0.000 0.000 3/45360 150.0 29.534 55.802 58.889 0.000 0.000 0.000 3/45360 160.0 26.025 49.481 52.330 0.000 0.000 0.000 3/45360 170.0 23.226 44.397 47.032 0.000 0.000 0.000 3/45360 180.0 20.951 40.234 42.679 0.000 0.000 0.000 3/45360 190.0 19.071 36.772 39.048 0.000 0.000 0.000 3/45360 200.0 17.495 33.854 35.981 0.000 0.000 0.000 3/45360 210.0 16.157 31.366 33.360 0.000 0.000 0.000 3/45360 220.0 15.009 29.221 31.097 0.000 0.000 0.000 3/45360 230.0 14.014 27.356 29.125 0.000 0.000 0.000 3/45360 240.0 13.144 25.720 27.394 0.000 0.000 0.000 3/45360 250.0 12.377 24.274 25.863 0.000 0.000 0.000 3/45360 260.0 11.697 22.988 24.499 0.000 0.000 0.000 3/45360 270.0 11.089 21.836 23.278 0.000 0.000 0.000 3/45360 280.0 10.543 20.800 22.178 0.000 0.000 0.000 3/45360 290.0 10.051 19.862 21.182 0.000 0.000 0.000 3/45360 300.0 9.604 19.010 20.277 0.000 0.000 0.000 3/45360 310.0 9.197 18.232 19.450 0.000 0.000 0.000 3/45360 320.0 8.824 17.518 18.692 0.000 0.000 0.000 3/45360 330.0 8.482 16.862 17.995 0.000 0.000 0.000 3/45360 340.0 8.166 16.256 17.351 0.000 0.000 0.000 3/45360 350.0 7.875 15.695 16.755 0.000 0.000 0.000 3/45360 360.0 7.604 15.174 16.201 0.000 0.000 0.000 3/45360 370.0 7.352 14.688 15.685 0.000 0.000 0.000 3/45360 380.0 7.118 14.235 15.203 0.000 0.000 0.000 3/45360 390.0 6.898 13.811 14.753 0.000 0.000 0.000 3/45360 400.0 6.693 13.413 14.330 0.000 0.000 0.000 3/45360 410.0 6.500 13.039 13.932 0.000 0.000 0.000 3/45360 420.0 6.319 12.686 13.557 0.000 0.000 0.000 3/45360 430.0 6.147 12.353 13.204 0.000 0.000 0.000 3/45360 440.0 5.986 12.039 12.870 0.000 0.000 0.000 3/45360 450.0 5.833 11.741 12.553 0.000 0.000 0.000 3/45360 460.0 5.688 11.458 12.253 0.000 0.000 0.000 3/45360 470.0 5.551 11.190 11.968 0.000 0.000 0.000 3/45360 480.0 5.420 10.934 11.696 0.000 0.000 0.000 3/45360 490.0 5.296 10.691 11.438 0.000 0.000 0.000 3/45360 500.0 5.178 10.459 11.191 0.000 0.000 0.000 3/45360 510.0 5.065 10.237 10.956 0.000 0.000 0.000 3/45360 520.0 4.957 10.025 10.731 0.000 0.000 0.000 3/45360 530.0 4.853 9.822 10.515 0.000 0.000 0.000 3/45360 540.0 4.755 9.628 10.309 0.000 0.000 0.000 3/45360 550.0 4.660 9.441 10.111 0.000 0.000 0.000 3/45360 560.0 4.569 9.262 9.921 0.000 0.000 0.000 3/45360 570.0 4.482 9.090 9.738 0.000 0.000 0.000 3/45360 580.0 4.398 8.925 9.562 0.000 0.000 0.000 3/45360 590.0 4.318 8.766 9.393 0.000 0.000 0.000 3/45360 600.0 4.240 8.612 9.230 0.000 0.000 0.000 3/45360 610.0 4.166 8.465 9.073 0.000 0.000 0.000 3/45360 620.0 4.094 8.322 8.922 0.000 0.000 0.000 3/45360 630.0 4.024 8.184 8.775 0.000 0.000 0.000 3/45360 640.0 3.957 8.051 8.634 0.000 0.000 0.000 3/45360 650.0 3.893 7.923 8.497 0.000 0.000 0.000 3/45360 660.0 3.830 7.798 8.365 0.000 0.000 0.000 3/45360 670.0 3.770 7.678 8.237 0.000 0.000 0.000 3/45360 680.0 3.711 7.561 8.113 0.000 0.000 0.000 3/45360 690.0 3.654 7.448 7.993 0.000 0.000 0.000 3/45360 700.0 3.599 7.339 7.877 0.000 0.000 0.000 3/45360 710.0 3.546 7.233 7.764 0.000 0.000 0.000 3/45360 720.0 3.495 7.130 7.654 0.000 0.000 0.000 3/45360 730.0 3.444 7.029 7.548 0.000 0.000 0.000 3/45360 740.0 3.396 6.932 7.444 0.000 0.000 0.000 3/45360 750.0 3.348 6.838 7.344 0.000 0.000 0.000 3/45360 760.0 3.303 6.746 7.246 0.000 0.000 0.000 3/45360 770.0 3.258 6.657 7.151 0.000 0.000 0.000 3/45360 780.0 3.215 6.570 7.058 0.000 0.000 0.000 3/45360 790.0 3.172 6.485 6.968 0.000 0.000 0.000 3/45360 800.0 3.131 6.402 6.881 0.000 0.000 0.000 3/45360 810.0 3.091 6.322 6.795 0.000 0.000 0.000 3/45360 820.0 3.052 6.244 6.712 0.000 0.000 0.000 3/45360 830.0 3.014 6.168 6.630 0.000 0.000 0.000 3/45360 840.0 2.977 6.093 6.551 0.000 0.000 0.000 3/45360 850.0 2.941 6.021 6.474 0.000 0.000 0.000 3/45360 860.0 2.906 5.950 6.398 0.000 0.000 0.000 3/45360 870.0 2.871 5.881 6.325 0.000 0.000 0.000 3/45360 880.0 2.838 5.813 6.253 0.000 0.000 0.000 3/45360 890.0 2.805 5.747 6.182 0.000 0.000 0.000 3/45360 900.0 2.773 5.683 6.114 0.000 0.000 0.000 3/45360 910.0 2.742 5.620 6.047 0.000 0.000 0.000 3/45360 920.0 2.711 5.558 5.981 0.000 0.000 0.000 3/45360 930.0 2.681 5.498 5.917 0.000 0.000 0.000 3/45360 940.0 2.652 5.439 5.854 0.000 0.000 0.000 3/45360 950.0 2.624 5.381 5.793 0.000 0.000 0.000 3/45360 960.0 2.596 5.325 5.732 0.000 0.000 0.000 3/45360 970.0 2.568 5.270 5.673 0.000 0.000 0.000 3/45360 980.0 2.542 5.216 5.616 0.000 0.000 0.000 3/45360 990.0 2.516 5.163 5.559 0.000 0.000 0.000 3/45360 1000.0 2.490 5.111 5.504 0.000 0.000 0.000 3/45360 Thermal conductivity related properties were written into "kappa-m5912.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:00:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|