----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:43:04]------------------------- 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 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.917290540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.353540780000000 Atomic positions (fractional): *1 O 0.48093454875008 0.25000000000000 0.51038993830582 15.999 2 O 0.01906545124992 0.75000000000000 0.01038993830582 15.999 3 O 0.51906545124992 0.75000000000000 0.48961006169418 15.999 4 O 0.98093454875008 0.25000000000000 0.98961006169418 15.999 *5 O 0.26218409273928 0.25000000000000 0.88112875749119 15.999 6 O 0.23781590726072 0.75000000000000 0.38112875749119 15.999 7 O 0.73781590726072 0.75000000000000 0.11887124250881 15.999 8 O 0.76218409273928 0.25000000000000 0.61887124250881 15.999 *9 O 0.56221452834989 0.41922124507434 0.82861827072449 15.999 10 O 0.93778547165011 0.58077875492566 0.32861827072449 15.999 11 O 0.43778547165011 0.91922124507434 0.17138172927552 15.999 12 O 0.06221452834989 0.08077875492566 0.67138172927551 15.999 13 O 0.93778547165011 0.91922124507434 0.32861827072449 15.999 14 O 0.56221452834989 0.08077875492566 0.82861827072449 15.999 15 O 0.06221452834989 0.41922124507434 0.67138172927551 15.999 16 O 0.43778547165011 0.58077875492566 0.17138172927552 15.999 *17 F 0.70810297438226 0.25000000000000 0.20315761930474 18.998 18 F 0.79189702561774 0.75000000000000 0.70315761930474 18.998 19 F 0.29189702561774 0.75000000000000 0.79684238069526 18.998 20 F 0.20810297438226 0.25000000000000 0.29684238069526 18.998 *21 S 0.59426736911090 0.25000000000000 0.68640818287831 32.065 22 S 0.90573263088910 0.75000000000000 0.18640818287831 32.065 23 S 0.40573263088910 0.75000000000000 0.31359181712169 32.065 24 S 0.09426736911090 0.25000000000000 0.81359181712169 32.065 *25 Y 0.44876013478068 0.25000000000000 0.15013123801753 88.906 26 Y 0.05123986521932 0.75000000000000 0.65013123801753 88.906 27 Y 0.55123986521932 0.75000000000000 0.84986876198247 88.906 28 Y 0.94876013478068 0.25000000000000 0.34986876198248 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.917290540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.353540780000000 Atomic positions (fractional): *1 O 0.48093454875008 0.25000000000000 0.51038993830582 15.999 > 1 2 O 0.01906545124992 0.75000000000000 0.01038993830582 15.999 > 2 3 O 0.51906545124992 0.75000000000000 0.48961006169418 15.999 > 3 4 O 0.98093454875008 0.25000000000000 0.98961006169418 15.999 > 4 *5 O 0.26218409273928 0.25000000000000 0.88112875749119 15.999 > 5 6 O 0.23781590726072 0.75000000000000 0.38112875749119 15.999 > 6 7 O 0.73781590726072 0.75000000000000 0.11887124250881 15.999 > 7 8 O 0.76218409273928 0.25000000000000 0.61887124250881 15.999 > 8 *9 O 0.56221452834989 0.41922124507434 0.82861827072449 15.999 > 9 10 O 0.93778547165011 0.58077875492566 0.32861827072449 15.999 > 10 11 O 0.43778547165011 0.91922124507434 0.17138172927552 15.999 > 11 12 O 0.06221452834989 0.08077875492566 0.67138172927551 15.999 > 12 13 O 0.93778547165011 0.91922124507434 0.32861827072449 15.999 > 13 14 O 0.56221452834989 0.08077875492566 0.82861827072449 15.999 > 14 15 O 0.06221452834989 0.41922124507434 0.67138172927551 15.999 > 15 16 O 0.43778547165011 0.58077875492566 0.17138172927552 15.999 > 16 *17 F 0.70810297438226 0.25000000000000 0.20315761930474 18.998 > 17 18 F 0.79189702561774 0.75000000000000 0.70315761930474 18.998 > 18 19 F 0.29189702561774 0.75000000000000 0.79684238069526 18.998 > 19 20 F 0.20810297438226 0.25000000000000 0.29684238069526 18.998 > 20 *21 S 0.59426736911090 0.25000000000000 0.68640818287831 32.065 > 21 22 S 0.90573263088910 0.75000000000000 0.18640818287831 32.065 > 22 23 S 0.40573263088910 0.75000000000000 0.31359181712169 32.065 > 23 24 S 0.09426736911090 0.25000000000000 0.81359181712169 32.065 > 24 *25 Y 0.44876013478068 0.25000000000000 0.15013123801753 88.906 > 25 26 Y 0.05123986521932 0.75000000000000 0.65013123801753 88.906 > 26 27 Y 0.55123986521932 0.75000000000000 0.84986876198247 88.906 > 27 28 Y 0.94876013478068 0.25000000000000 0.34986876198248 88.906 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.834581080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.707081560000001 Atomic positions (fractional): *1 O 0.48093454875008 0.12500000000000 0.25519496915291 15.999 > 1 2 O 0.48093454875008 0.62500000000000 0.25519496915291 15.999 > 1 3 O 0.48093454875008 0.12500000000000 0.75519496915291 15.999 > 1 4 O 0.48093454875008 0.62500000000000 0.75519496915291 15.999 > 1 5 O 0.01906545124992 0.37500000000000 0.00519496915291 15.999 > 2 6 O 0.01906545124992 0.87500000000000 0.00519496915291 15.999 > 2 7 O 0.01906545124992 0.37500000000000 0.50519496915291 15.999 > 2 8 O 0.01906545124992 0.87500000000000 0.50519496915291 15.999 > 2 9 O 0.51906545124992 0.37500000000000 0.24480503084709 15.999 > 3 10 O 0.51906545124992 0.87500000000000 0.24480503084709 15.999 > 3 11 O 0.51906545124992 0.37500000000000 0.74480503084709 15.999 > 3 12 O 0.51906545124992 0.87500000000000 0.74480503084709 15.999 > 3 13 O 0.98093454875008 0.12500000000000 0.49480503084709 15.999 > 4 14 O 0.98093454875008 0.62500000000000 0.49480503084709 15.999 > 4 15 O 0.98093454875008 0.12500000000000 0.99480503084709 15.999 > 4 16 O 0.98093454875008 0.62500000000000 0.99480503084709 15.999 > 4 *17 O 0.26218409273928 0.12500000000000 0.44056437874559 15.999 > 5 18 O 0.26218409273928 0.62500000000000 0.44056437874559 15.999 > 5 19 O 0.26218409273928 0.12500000000000 0.94056437874559 15.999 > 5 20 O 0.26218409273928 0.62500000000000 0.94056437874559 15.999 > 5 21 O 0.23781590726072 0.37500000000000 0.19056437874559 15.999 > 6 22 O 0.23781590726072 0.87500000000000 0.19056437874559 15.999 > 6 23 O 0.23781590726072 0.37500000000000 0.69056437874559 15.999 > 6 24 O 0.23781590726072 0.87500000000000 0.69056437874559 15.999 > 6 25 O 0.73781590726072 0.37500000000000 0.05943562125441 15.999 > 7 26 O 0.73781590726072 0.87500000000000 0.05943562125441 15.999 > 7 27 O 0.73781590726072 0.37500000000000 0.55943562125441 15.999 > 7 28 O 0.73781590726072 0.87500000000000 0.55943562125441 15.999 > 7 29 O 0.76218409273928 0.12500000000000 0.30943562125441 15.999 > 8 30 O 0.76218409273928 0.62500000000000 0.30943562125441 15.999 > 8 31 O 0.76218409273928 0.12500000000000 0.80943562125441 15.999 > 8 32 O 0.76218409273928 0.62500000000000 0.80943562125441 15.999 > 8 *33 O 0.56221452834989 0.20961062253717 0.41430913536224 15.999 > 9 34 O 0.56221452834989 0.70961062253717 0.41430913536224 15.999 > 9 35 O 0.56221452834989 0.20961062253717 0.91430913536224 15.999 > 9 36 O 0.56221452834989 0.70961062253717 0.91430913536224 15.999 > 9 37 O 0.93778547165011 0.29038937746283 0.16430913536224 15.999 > 10 38 O 0.93778547165011 0.79038937746283 0.16430913536224 15.999 > 10 39 O 0.93778547165011 0.29038937746283 0.66430913536224 15.999 > 10 40 O 0.93778547165011 0.79038937746283 0.66430913536224 15.999 > 10 41 O 0.43778547165011 0.45961062253717 0.08569086463776 15.999 > 11 42 O 0.43778547165011 0.95961062253717 0.08569086463776 15.999 > 11 43 O 0.43778547165011 0.45961062253717 0.58569086463776 15.999 > 11 44 O 0.43778547165011 0.95961062253717 0.58569086463776 15.999 > 11 45 O 0.06221452834989 0.04038937746283 0.33569086463776 15.999 > 12 46 O 0.06221452834989 0.54038937746283 0.33569086463776 15.999 > 12 47 O 0.06221452834989 0.04038937746283 0.83569086463776 15.999 > 12 48 O 0.06221452834989 0.54038937746283 0.83569086463776 15.999 > 12 49 O 0.93778547165011 0.45961062253717 0.16430913536224 15.999 > 13 50 O 0.93778547165011 0.95961062253717 0.16430913536224 15.999 > 13 51 O 0.93778547165011 0.45961062253717 0.66430913536224 15.999 > 13 52 O 0.93778547165011 0.95961062253717 0.66430913536224 15.999 > 13 53 O 0.56221452834989 0.04038937746283 0.41430913536224 15.999 > 14 54 O 0.56221452834989 0.54038937746283 0.41430913536224 15.999 > 14 55 O 0.56221452834989 0.04038937746283 0.91430913536224 15.999 > 14 56 O 0.56221452834989 0.54038937746283 0.91430913536224 15.999 > 14 57 O 0.06221452834989 0.20961062253717 0.33569086463776 15.999 > 15 58 O 0.06221452834989 0.70961062253717 0.33569086463776 15.999 > 15 59 O 0.06221452834989 0.20961062253717 0.83569086463776 15.999 > 15 60 O 0.06221452834989 0.70961062253717 0.83569086463776 15.999 > 15 61 O 0.43778547165011 0.29038937746283 0.08569086463776 15.999 > 16 62 O 0.43778547165011 0.79038937746283 0.08569086463776 15.999 > 16 63 O 0.43778547165011 0.29038937746283 0.58569086463776 15.999 > 16 64 O 0.43778547165011 0.79038937746283 0.58569086463776 15.999 > 16 *65 F 0.70810297438226 0.12500000000000 0.10157880965237 18.998 > 17 66 F 0.70810297438226 0.62500000000000 0.10157880965237 18.998 > 17 67 F 0.70810297438226 0.12500000000000 0.60157880965237 18.998 > 17 68 F 0.70810297438226 0.62500000000000 0.60157880965237 18.998 > 17 69 F 0.79189702561774 0.37500000000000 0.35157880965237 18.998 > 18 70 F 0.79189702561774 0.87500000000000 0.35157880965237 18.998 > 18 71 F 0.79189702561774 0.37500000000000 0.85157880965237 18.998 > 18 72 F 0.79189702561774 0.87500000000000 0.85157880965237 18.998 > 18 73 F 0.29189702561774 0.37500000000000 0.39842119034763 18.998 > 19 74 F 0.29189702561774 0.87500000000000 0.39842119034763 18.998 > 19 75 F 0.29189702561774 0.37500000000000 0.89842119034763 18.998 > 19 76 F 0.29189702561774 0.87500000000000 0.89842119034763 18.998 > 19 77 F 0.20810297438226 0.12500000000000 0.14842119034763 18.998 > 20 78 F 0.20810297438226 0.62500000000000 0.14842119034763 18.998 > 20 79 F 0.20810297438226 0.12500000000000 0.64842119034763 18.998 > 20 80 F 0.20810297438226 0.62500000000000 0.64842119034763 18.998 > 20 *81 S 0.59426736911090 0.12500000000000 0.34320409143915 32.065 > 21 82 S 0.59426736911090 0.62500000000000 0.34320409143915 32.065 > 21 83 S 0.59426736911090 0.12500000000000 0.84320409143915 32.065 > 21 84 S 0.59426736911090 0.62500000000000 0.84320409143915 32.065 > 21 85 S 0.90573263088910 0.37500000000000 0.09320409143916 32.065 > 22 86 S 0.90573263088910 0.87500000000000 0.09320409143916 32.065 > 22 87 S 0.90573263088910 0.37500000000000 0.59320409143915 32.065 > 22 88 S 0.90573263088910 0.87500000000000 0.59320409143915 32.065 > 22 89 S 0.40573263088910 0.37500000000000 0.15679590856084 32.065 > 23 90 S 0.40573263088910 0.87500000000000 0.15679590856084 32.065 > 23 91 S 0.40573263088910 0.37500000000000 0.65679590856085 32.065 > 23 92 S 0.40573263088910 0.87500000000000 0.65679590856085 32.065 > 23 93 S 0.09426736911090 0.12500000000000 0.40679590856085 32.065 > 24 94 S 0.09426736911090 0.62500000000000 0.40679590856085 32.065 > 24 95 S 0.09426736911090 0.12500000000000 0.90679590856085 32.065 > 24 96 S 0.09426736911090 0.62500000000000 0.90679590856085 32.065 > 24 *97 Y 0.44876013478068 0.12500000000000 0.07506561900876 88.906 > 25 98 Y 0.44876013478068 0.62500000000000 0.07506561900876 88.906 > 25 99 Y 0.44876013478068 0.12500000000000 0.57506561900876 88.906 > 25 100 Y 0.44876013478068 0.62500000000000 0.57506561900876 88.906 > 25 101 Y 0.05123986521932 0.37500000000000 0.32506561900876 88.906 > 26 102 Y 0.05123986521932 0.87500000000000 0.32506561900876 88.906 > 26 103 Y 0.05123986521932 0.37500000000000 0.82506561900876 88.906 > 26 104 Y 0.05123986521932 0.87500000000000 0.82506561900876 88.906 > 26 105 Y 0.55123986521932 0.37500000000000 0.42493438099124 88.906 > 27 106 Y 0.55123986521932 0.87500000000000 0.42493438099124 88.906 > 27 107 Y 0.55123986521932 0.37500000000000 0.92493438099124 88.906 > 27 108 Y 0.55123986521932 0.87500000000000 0.92493438099124 88.906 > 27 109 Y 0.94876013478068 0.12500000000000 0.17493438099124 88.906 > 28 110 Y 0.94876013478068 0.62500000000000 0.17493438099124 88.906 > 28 111 Y 0.94876013478068 0.12500000000000 0.67493438099124 88.906 > 28 112 Y 0.94876013478068 0.62500000000000 0.67493438099124 88.906 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8563209 0.0000000 0.0000000 0.0000000 2.7733795 0.0000000 0.0000000 0.0000000 2.9472064 -------------------------- Born effective charges -------------------------- 1 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 2 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 3 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 4 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 5 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 6 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 7 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 8 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 9 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 10 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 11 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 12 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 13 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 14 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 15 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 16 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 17 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 18 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 19 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 20 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 21 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 22 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 23 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 24 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 25 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 26 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 27 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 28 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 ---------------------------------------------------------------------------- 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: 1919 Number of blocks in projector: 1919 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 281 Use standard eigh solver. Tree of FC basis block matrices: - (1919, 1885), data: False |-- (281, 275), data: True |-- (281, 275), data: True |-- (281, 275), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.181 Solver_block: 200 / 480 - Time: 3.111 Solver_block: 300 / 480 - Time: 3.112 Solver_block: 400 / 480 - Time: 3.116 Solver_block: 480 / 480 - Time: 2.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1919 Number of blocks in projector: 1919 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 281 Use standard eigh solver. Tree of FC basis block matrices: - (1919, 1885), data: False |-- (281, 275), data: True |-- (281, 275), data: True |-- (281, 275), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:43:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:43:40]------------------------- 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 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.917290540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.353540780000000 Atomic positions (fractional): 1 O 0.48093454875008 0.25000000000000 0.51038993830582 15.999 2 O 0.01906545124992 0.75000000000000 0.01038993830582 15.999 3 O 0.51906545124992 0.75000000000000 0.48961006169418 15.999 4 O 0.98093454875008 0.25000000000000 0.98961006169418 15.999 5 O 0.26218409273928 0.25000000000000 0.88112875749119 15.999 6 O 0.23781590726072 0.75000000000000 0.38112875749119 15.999 7 O 0.73781590726072 0.75000000000000 0.11887124250881 15.999 8 O 0.76218409273928 0.25000000000000 0.61887124250881 15.999 9 O 0.56221452834989 0.41922124507434 0.82861827072449 15.999 10 O 0.93778547165011 0.58077875492566 0.32861827072449 15.999 11 O 0.43778547165011 0.91922124507434 0.17138172927552 15.999 12 O 0.06221452834989 0.08077875492566 0.67138172927551 15.999 13 O 0.93778547165011 0.91922124507434 0.32861827072449 15.999 14 O 0.56221452834989 0.08077875492566 0.82861827072449 15.999 15 O 0.06221452834989 0.41922124507434 0.67138172927551 15.999 16 O 0.43778547165011 0.58077875492566 0.17138172927552 15.999 17 F 0.70810297438226 0.25000000000000 0.20315761930474 18.998 18 F 0.79189702561774 0.75000000000000 0.70315761930474 18.998 19 F 0.29189702561774 0.75000000000000 0.79684238069526 18.998 20 F 0.20810297438226 0.25000000000000 0.29684238069526 18.998 21 S 0.59426736911090 0.25000000000000 0.68640818287831 32.065 22 S 0.90573263088910 0.75000000000000 0.18640818287831 32.065 23 S 0.40573263088910 0.75000000000000 0.31359181712169 32.065 24 S 0.09426736911090 0.25000000000000 0.81359181712169 32.065 25 Y 0.44876013478068 0.25000000000000 0.15013123801753 88.906 26 Y 0.05123986521932 0.75000000000000 0.65013123801753 88.906 27 Y 0.55123986521932 0.75000000000000 0.84986876198247 88.906 28 Y 0.94876013478068 0.25000000000000 0.34986876198248 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.834581080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.707081560000001 Atomic positions (fractional): 1 O 0.48093454875008 0.12500000000000 0.25519496915291 15.999 > 1 2 O 0.48093454875008 0.62500000000000 0.25519496915291 15.999 > 1 3 O 0.48093454875008 0.12500000000000 0.75519496915291 15.999 > 1 4 O 0.48093454875008 0.62500000000000 0.75519496915291 15.999 > 1 5 O 0.01906545124992 0.37500000000000 0.00519496915291 15.999 > 5 6 O 0.01906545124992 0.87500000000000 0.00519496915291 15.999 > 5 7 O 0.01906545124992 0.37500000000000 0.50519496915291 15.999 > 5 8 O 0.01906545124992 0.87500000000000 0.50519496915291 15.999 > 5 9 O 0.51906545124992 0.37500000000000 0.24480503084709 15.999 > 9 10 O 0.51906545124992 0.87500000000000 0.24480503084709 15.999 > 9 11 O 0.51906545124992 0.37500000000000 0.74480503084709 15.999 > 9 12 O 0.51906545124992 0.87500000000000 0.74480503084709 15.999 > 9 13 O 0.98093454875008 0.12500000000000 0.49480503084709 15.999 > 13 14 O 0.98093454875008 0.62500000000000 0.49480503084709 15.999 > 13 15 O 0.98093454875008 0.12500000000000 0.99480503084709 15.999 > 13 16 O 0.98093454875008 0.62500000000000 0.99480503084709 15.999 > 13 17 O 0.26218409273928 0.12500000000000 0.44056437874559 15.999 > 17 18 O 0.26218409273928 0.62500000000000 0.44056437874559 15.999 > 17 19 O 0.26218409273928 0.12500000000000 0.94056437874559 15.999 > 17 20 O 0.26218409273928 0.62500000000000 0.94056437874559 15.999 > 17 21 O 0.23781590726072 0.37500000000000 0.19056437874559 15.999 > 21 22 O 0.23781590726072 0.87500000000000 0.19056437874559 15.999 > 21 23 O 0.23781590726072 0.37500000000000 0.69056437874559 15.999 > 21 24 O 0.23781590726072 0.87500000000000 0.69056437874559 15.999 > 21 25 O 0.73781590726072 0.37500000000000 0.05943562125441 15.999 > 25 26 O 0.73781590726072 0.87500000000000 0.05943562125441 15.999 > 25 27 O 0.73781590726072 0.37500000000000 0.55943562125441 15.999 > 25 28 O 0.73781590726072 0.87500000000000 0.55943562125441 15.999 > 25 29 O 0.76218409273928 0.12500000000000 0.30943562125441 15.999 > 29 30 O 0.76218409273928 0.62500000000000 0.30943562125441 15.999 > 29 31 O 0.76218409273928 0.12500000000000 0.80943562125441 15.999 > 29 32 O 0.76218409273928 0.62500000000000 0.80943562125441 15.999 > 29 33 O 0.56221452834989 0.20961062253717 0.41430913536224 15.999 > 33 34 O 0.56221452834989 0.70961062253717 0.41430913536224 15.999 > 33 35 O 0.56221452834989 0.20961062253717 0.91430913536224 15.999 > 33 36 O 0.56221452834989 0.70961062253717 0.91430913536224 15.999 > 33 37 O 0.93778547165011 0.29038937746283 0.16430913536224 15.999 > 37 38 O 0.93778547165011 0.79038937746283 0.16430913536224 15.999 > 37 39 O 0.93778547165011 0.29038937746283 0.66430913536224 15.999 > 37 40 O 0.93778547165011 0.79038937746283 0.66430913536224 15.999 > 37 41 O 0.43778547165011 0.45961062253717 0.08569086463776 15.999 > 41 42 O 0.43778547165011 0.95961062253717 0.08569086463776 15.999 > 41 43 O 0.43778547165011 0.45961062253717 0.58569086463776 15.999 > 41 44 O 0.43778547165011 0.95961062253717 0.58569086463776 15.999 > 41 45 O 0.06221452834989 0.04038937746283 0.33569086463776 15.999 > 45 46 O 0.06221452834989 0.54038937746283 0.33569086463776 15.999 > 45 47 O 0.06221452834989 0.04038937746283 0.83569086463776 15.999 > 45 48 O 0.06221452834989 0.54038937746283 0.83569086463776 15.999 > 45 49 O 0.93778547165011 0.45961062253717 0.16430913536224 15.999 > 49 50 O 0.93778547165011 0.95961062253717 0.16430913536224 15.999 > 49 51 O 0.93778547165011 0.45961062253717 0.66430913536224 15.999 > 49 52 O 0.93778547165011 0.95961062253717 0.66430913536224 15.999 > 49 53 O 0.56221452834989 0.04038937746283 0.41430913536224 15.999 > 53 54 O 0.56221452834989 0.54038937746283 0.41430913536224 15.999 > 53 55 O 0.56221452834989 0.04038937746283 0.91430913536224 15.999 > 53 56 O 0.56221452834989 0.54038937746283 0.91430913536224 15.999 > 53 57 O 0.06221452834989 0.20961062253717 0.33569086463776 15.999 > 57 58 O 0.06221452834989 0.70961062253717 0.33569086463776 15.999 > 57 59 O 0.06221452834989 0.20961062253717 0.83569086463776 15.999 > 57 60 O 0.06221452834989 0.70961062253717 0.83569086463776 15.999 > 57 61 O 0.43778547165011 0.29038937746283 0.08569086463776 15.999 > 61 62 O 0.43778547165011 0.79038937746283 0.08569086463776 15.999 > 61 63 O 0.43778547165011 0.29038937746283 0.58569086463776 15.999 > 61 64 O 0.43778547165011 0.79038937746283 0.58569086463776 15.999 > 61 65 F 0.70810297438226 0.12500000000000 0.10157880965237 18.998 > 65 66 F 0.70810297438226 0.62500000000000 0.10157880965237 18.998 > 65 67 F 0.70810297438226 0.12500000000000 0.60157880965237 18.998 > 65 68 F 0.70810297438226 0.62500000000000 0.60157880965237 18.998 > 65 69 F 0.79189702561774 0.37500000000000 0.35157880965237 18.998 > 69 70 F 0.79189702561774 0.87500000000000 0.35157880965237 18.998 > 69 71 F 0.79189702561774 0.37500000000000 0.85157880965237 18.998 > 69 72 F 0.79189702561774 0.87500000000000 0.85157880965237 18.998 > 69 73 F 0.29189702561774 0.37500000000000 0.39842119034763 18.998 > 73 74 F 0.29189702561774 0.87500000000000 0.39842119034763 18.998 > 73 75 F 0.29189702561774 0.37500000000000 0.89842119034763 18.998 > 73 76 F 0.29189702561774 0.87500000000000 0.89842119034763 18.998 > 73 77 F 0.20810297438226 0.12500000000000 0.14842119034763 18.998 > 77 78 F 0.20810297438226 0.62500000000000 0.14842119034763 18.998 > 77 79 F 0.20810297438226 0.12500000000000 0.64842119034763 18.998 > 77 80 F 0.20810297438226 0.62500000000000 0.64842119034763 18.998 > 77 81 S 0.59426736911090 0.12500000000000 0.34320409143915 32.065 > 81 82 S 0.59426736911090 0.62500000000000 0.34320409143915 32.065 > 81 83 S 0.59426736911090 0.12500000000000 0.84320409143915 32.065 > 81 84 S 0.59426736911090 0.62500000000000 0.84320409143915 32.065 > 81 85 S 0.90573263088910 0.37500000000000 0.09320409143916 32.065 > 85 86 S 0.90573263088910 0.87500000000000 0.09320409143916 32.065 > 85 87 S 0.90573263088910 0.37500000000000 0.59320409143915 32.065 > 85 88 S 0.90573263088910 0.87500000000000 0.59320409143915 32.065 > 85 89 S 0.40573263088910 0.37500000000000 0.15679590856084 32.065 > 89 90 S 0.40573263088910 0.87500000000000 0.15679590856084 32.065 > 89 91 S 0.40573263088910 0.37500000000000 0.65679590856085 32.065 > 89 92 S 0.40573263088910 0.87500000000000 0.65679590856085 32.065 > 89 93 S 0.09426736911090 0.12500000000000 0.40679590856085 32.065 > 93 94 S 0.09426736911090 0.62500000000000 0.40679590856085 32.065 > 93 95 S 0.09426736911090 0.12500000000000 0.90679590856085 32.065 > 93 96 S 0.09426736911090 0.62500000000000 0.90679590856085 32.065 > 93 97 Y 0.44876013478068 0.12500000000000 0.07506561900876 88.906 > 97 98 Y 0.44876013478068 0.62500000000000 0.07506561900876 88.906 > 97 99 Y 0.44876013478068 0.12500000000000 0.57506561900876 88.906 > 97 100 Y 0.44876013478068 0.62500000000000 0.57506561900876 88.906 > 97 101 Y 0.05123986521932 0.37500000000000 0.32506561900876 88.906 > 101 102 Y 0.05123986521932 0.87500000000000 0.32506561900876 88.906 > 101 103 Y 0.05123986521932 0.37500000000000 0.82506561900876 88.906 > 101 104 Y 0.05123986521932 0.87500000000000 0.82506561900876 88.906 > 101 105 Y 0.55123986521932 0.37500000000000 0.42493438099124 88.906 > 105 106 Y 0.55123986521932 0.87500000000000 0.42493438099124 88.906 > 105 107 Y 0.55123986521932 0.37500000000000 0.92493438099124 88.906 > 105 108 Y 0.55123986521932 0.87500000000000 0.92493438099124 88.906 > 105 109 Y 0.94876013478068 0.12500000000000 0.17493438099124 88.906 > 109 110 Y 0.94876013478068 0.62500000000000 0.17493438099124 88.906 > 109 111 Y 0.94876013478068 0.12500000000000 0.67493438099124 88.906 > 109 112 Y 0.94876013478068 0.62500000000000 0.67493438099124 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8563209 0.0000000 0.0000000 0.0000000 2.7733795 0.0000000 0.0000000 0.0000000 2.9472064 -------------------------- Born effective charges -------------------------- 1 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 2 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 3 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 4 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 5 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 6 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 7 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 8 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 9 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 10 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 11 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 12 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 13 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 14 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 15 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 16 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 17 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 18 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 19 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 20 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 21 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 22 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 23 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 24 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 25 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 26 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 27 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 28 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:44:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:44:03]------------------------- 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 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.917290540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.353540780000000 Atomic positions (fractional): 1 O 0.48093454875008 0.25000000000000 0.51038993830582 15.999 2 O 0.01906545124992 0.75000000000000 0.01038993830582 15.999 3 O 0.51906545124992 0.75000000000000 0.48961006169418 15.999 4 O 0.98093454875008 0.25000000000000 0.98961006169418 15.999 5 O 0.26218409273928 0.25000000000000 0.88112875749119 15.999 6 O 0.23781590726072 0.75000000000000 0.38112875749119 15.999 7 O 0.73781590726072 0.75000000000000 0.11887124250881 15.999 8 O 0.76218409273928 0.25000000000000 0.61887124250881 15.999 9 O 0.56221452834989 0.41922124507434 0.82861827072449 15.999 10 O 0.93778547165011 0.58077875492566 0.32861827072449 15.999 11 O 0.43778547165011 0.91922124507434 0.17138172927552 15.999 12 O 0.06221452834989 0.08077875492566 0.67138172927551 15.999 13 O 0.93778547165011 0.91922124507434 0.32861827072449 15.999 14 O 0.56221452834989 0.08077875492566 0.82861827072449 15.999 15 O 0.06221452834989 0.41922124507434 0.67138172927551 15.999 16 O 0.43778547165011 0.58077875492566 0.17138172927552 15.999 17 F 0.70810297438226 0.25000000000000 0.20315761930474 18.998 18 F 0.79189702561774 0.75000000000000 0.70315761930474 18.998 19 F 0.29189702561774 0.75000000000000 0.79684238069526 18.998 20 F 0.20810297438226 0.25000000000000 0.29684238069526 18.998 21 S 0.59426736911090 0.25000000000000 0.68640818287831 32.065 22 S 0.90573263088910 0.75000000000000 0.18640818287831 32.065 23 S 0.40573263088910 0.75000000000000 0.31359181712169 32.065 24 S 0.09426736911090 0.25000000000000 0.81359181712169 32.065 25 Y 0.44876013478068 0.25000000000000 0.15013123801753 88.906 26 Y 0.05123986521932 0.75000000000000 0.65013123801753 88.906 27 Y 0.55123986521932 0.75000000000000 0.84986876198247 88.906 28 Y 0.94876013478068 0.25000000000000 0.34986876198248 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.283479089999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.834581080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.707081560000001 Atomic positions (fractional): 1 O 0.48093454875008 0.12500000000000 0.25519496915291 15.999 > 1 2 O 0.48093454875008 0.62500000000000 0.25519496915291 15.999 > 1 3 O 0.48093454875008 0.12500000000000 0.75519496915291 15.999 > 1 4 O 0.48093454875008 0.62500000000000 0.75519496915291 15.999 > 1 5 O 0.01906545124992 0.37500000000000 0.00519496915291 15.999 > 5 6 O 0.01906545124992 0.87500000000000 0.00519496915291 15.999 > 5 7 O 0.01906545124992 0.37500000000000 0.50519496915291 15.999 > 5 8 O 0.01906545124992 0.87500000000000 0.50519496915291 15.999 > 5 9 O 0.51906545124992 0.37500000000000 0.24480503084709 15.999 > 9 10 O 0.51906545124992 0.87500000000000 0.24480503084709 15.999 > 9 11 O 0.51906545124992 0.37500000000000 0.74480503084709 15.999 > 9 12 O 0.51906545124992 0.87500000000000 0.74480503084709 15.999 > 9 13 O 0.98093454875008 0.12500000000000 0.49480503084709 15.999 > 13 14 O 0.98093454875008 0.62500000000000 0.49480503084709 15.999 > 13 15 O 0.98093454875008 0.12500000000000 0.99480503084709 15.999 > 13 16 O 0.98093454875008 0.62500000000000 0.99480503084709 15.999 > 13 17 O 0.26218409273928 0.12500000000000 0.44056437874559 15.999 > 17 18 O 0.26218409273928 0.62500000000000 0.44056437874559 15.999 > 17 19 O 0.26218409273928 0.12500000000000 0.94056437874559 15.999 > 17 20 O 0.26218409273928 0.62500000000000 0.94056437874559 15.999 > 17 21 O 0.23781590726072 0.37500000000000 0.19056437874559 15.999 > 21 22 O 0.23781590726072 0.87500000000000 0.19056437874559 15.999 > 21 23 O 0.23781590726072 0.37500000000000 0.69056437874559 15.999 > 21 24 O 0.23781590726072 0.87500000000000 0.69056437874559 15.999 > 21 25 O 0.73781590726072 0.37500000000000 0.05943562125441 15.999 > 25 26 O 0.73781590726072 0.87500000000000 0.05943562125441 15.999 > 25 27 O 0.73781590726072 0.37500000000000 0.55943562125441 15.999 > 25 28 O 0.73781590726072 0.87500000000000 0.55943562125441 15.999 > 25 29 O 0.76218409273928 0.12500000000000 0.30943562125441 15.999 > 29 30 O 0.76218409273928 0.62500000000000 0.30943562125441 15.999 > 29 31 O 0.76218409273928 0.12500000000000 0.80943562125441 15.999 > 29 32 O 0.76218409273928 0.62500000000000 0.80943562125441 15.999 > 29 33 O 0.56221452834989 0.20961062253717 0.41430913536224 15.999 > 33 34 O 0.56221452834989 0.70961062253717 0.41430913536224 15.999 > 33 35 O 0.56221452834989 0.20961062253717 0.91430913536224 15.999 > 33 36 O 0.56221452834989 0.70961062253717 0.91430913536224 15.999 > 33 37 O 0.93778547165011 0.29038937746283 0.16430913536224 15.999 > 37 38 O 0.93778547165011 0.79038937746283 0.16430913536224 15.999 > 37 39 O 0.93778547165011 0.29038937746283 0.66430913536224 15.999 > 37 40 O 0.93778547165011 0.79038937746283 0.66430913536224 15.999 > 37 41 O 0.43778547165011 0.45961062253717 0.08569086463776 15.999 > 41 42 O 0.43778547165011 0.95961062253717 0.08569086463776 15.999 > 41 43 O 0.43778547165011 0.45961062253717 0.58569086463776 15.999 > 41 44 O 0.43778547165011 0.95961062253717 0.58569086463776 15.999 > 41 45 O 0.06221452834989 0.04038937746283 0.33569086463776 15.999 > 45 46 O 0.06221452834989 0.54038937746283 0.33569086463776 15.999 > 45 47 O 0.06221452834989 0.04038937746283 0.83569086463776 15.999 > 45 48 O 0.06221452834989 0.54038937746283 0.83569086463776 15.999 > 45 49 O 0.93778547165011 0.45961062253717 0.16430913536224 15.999 > 49 50 O 0.93778547165011 0.95961062253717 0.16430913536224 15.999 > 49 51 O 0.93778547165011 0.45961062253717 0.66430913536224 15.999 > 49 52 O 0.93778547165011 0.95961062253717 0.66430913536224 15.999 > 49 53 O 0.56221452834989 0.04038937746283 0.41430913536224 15.999 > 53 54 O 0.56221452834989 0.54038937746283 0.41430913536224 15.999 > 53 55 O 0.56221452834989 0.04038937746283 0.91430913536224 15.999 > 53 56 O 0.56221452834989 0.54038937746283 0.91430913536224 15.999 > 53 57 O 0.06221452834989 0.20961062253717 0.33569086463776 15.999 > 57 58 O 0.06221452834989 0.70961062253717 0.33569086463776 15.999 > 57 59 O 0.06221452834989 0.20961062253717 0.83569086463776 15.999 > 57 60 O 0.06221452834989 0.70961062253717 0.83569086463776 15.999 > 57 61 O 0.43778547165011 0.29038937746283 0.08569086463776 15.999 > 61 62 O 0.43778547165011 0.79038937746283 0.08569086463776 15.999 > 61 63 O 0.43778547165011 0.29038937746283 0.58569086463776 15.999 > 61 64 O 0.43778547165011 0.79038937746283 0.58569086463776 15.999 > 61 65 F 0.70810297438226 0.12500000000000 0.10157880965237 18.998 > 65 66 F 0.70810297438226 0.62500000000000 0.10157880965237 18.998 > 65 67 F 0.70810297438226 0.12500000000000 0.60157880965237 18.998 > 65 68 F 0.70810297438226 0.62500000000000 0.60157880965237 18.998 > 65 69 F 0.79189702561774 0.37500000000000 0.35157880965237 18.998 > 69 70 F 0.79189702561774 0.87500000000000 0.35157880965237 18.998 > 69 71 F 0.79189702561774 0.37500000000000 0.85157880965237 18.998 > 69 72 F 0.79189702561774 0.87500000000000 0.85157880965237 18.998 > 69 73 F 0.29189702561774 0.37500000000000 0.39842119034763 18.998 > 73 74 F 0.29189702561774 0.87500000000000 0.39842119034763 18.998 > 73 75 F 0.29189702561774 0.37500000000000 0.89842119034763 18.998 > 73 76 F 0.29189702561774 0.87500000000000 0.89842119034763 18.998 > 73 77 F 0.20810297438226 0.12500000000000 0.14842119034763 18.998 > 77 78 F 0.20810297438226 0.62500000000000 0.14842119034763 18.998 > 77 79 F 0.20810297438226 0.12500000000000 0.64842119034763 18.998 > 77 80 F 0.20810297438226 0.62500000000000 0.64842119034763 18.998 > 77 81 S 0.59426736911090 0.12500000000000 0.34320409143915 32.065 > 81 82 S 0.59426736911090 0.62500000000000 0.34320409143915 32.065 > 81 83 S 0.59426736911090 0.12500000000000 0.84320409143915 32.065 > 81 84 S 0.59426736911090 0.62500000000000 0.84320409143915 32.065 > 81 85 S 0.90573263088910 0.37500000000000 0.09320409143916 32.065 > 85 86 S 0.90573263088910 0.87500000000000 0.09320409143916 32.065 > 85 87 S 0.90573263088910 0.37500000000000 0.59320409143915 32.065 > 85 88 S 0.90573263088910 0.87500000000000 0.59320409143915 32.065 > 85 89 S 0.40573263088910 0.37500000000000 0.15679590856084 32.065 > 89 90 S 0.40573263088910 0.87500000000000 0.15679590856084 32.065 > 89 91 S 0.40573263088910 0.37500000000000 0.65679590856085 32.065 > 89 92 S 0.40573263088910 0.87500000000000 0.65679590856085 32.065 > 89 93 S 0.09426736911090 0.12500000000000 0.40679590856085 32.065 > 93 94 S 0.09426736911090 0.62500000000000 0.40679590856085 32.065 > 93 95 S 0.09426736911090 0.12500000000000 0.90679590856085 32.065 > 93 96 S 0.09426736911090 0.62500000000000 0.90679590856085 32.065 > 93 97 Y 0.44876013478068 0.12500000000000 0.07506561900876 88.906 > 97 98 Y 0.44876013478068 0.62500000000000 0.07506561900876 88.906 > 97 99 Y 0.44876013478068 0.12500000000000 0.57506561900876 88.906 > 97 100 Y 0.44876013478068 0.62500000000000 0.57506561900876 88.906 > 97 101 Y 0.05123986521932 0.37500000000000 0.32506561900876 88.906 > 101 102 Y 0.05123986521932 0.87500000000000 0.32506561900876 88.906 > 101 103 Y 0.05123986521932 0.37500000000000 0.82506561900876 88.906 > 101 104 Y 0.05123986521932 0.87500000000000 0.82506561900876 88.906 > 101 105 Y 0.55123986521932 0.37500000000000 0.42493438099124 88.906 > 105 106 Y 0.55123986521932 0.87500000000000 0.42493438099124 88.906 > 105 107 Y 0.55123986521932 0.37500000000000 0.92493438099124 88.906 > 105 108 Y 0.55123986521932 0.87500000000000 0.92493438099124 88.906 > 105 109 Y 0.94876013478068 0.12500000000000 0.17493438099124 88.906 > 109 110 Y 0.94876013478068 0.62500000000000 0.17493438099124 88.906 > 109 111 Y 0.94876013478068 0.12500000000000 0.67493438099124 88.906 > 109 112 Y 0.94876013478068 0.62500000000000 0.67493438099124 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8563209 0.0000000 0.0000000 0.0000000 2.7733795 0.0000000 0.0000000 0.0000000 2.9472064 -------------------------- Born effective charges -------------------------- 1 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 2 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 3 O -1.3091140 0.0000000 -0.6388997 0.0000000 -0.8693389 0.0000000 -0.7698444 0.0000000 -2.4515243 4 O -1.3091140 0.0000000 0.6388997 0.0000000 -0.8693389 0.0000000 0.7698444 0.0000000 -2.4515243 5 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 6 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 7 O -2.4967128 0.0000000 -0.7944771 0.0000000 -0.8189043 0.0000000 -0.8326545 0.0000000 -1.4111354 8 O -2.4967128 0.0000000 0.7944771 0.0000000 -0.8189043 0.0000000 0.8326545 0.0000000 -1.4111354 9 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 10 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 11 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 12 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 13 O -1.0302262 -0.1484075 -0.3356728 -0.1882351 -2.5743020 -0.6218621 -0.3196617 -0.6034065 -1.7700799 14 O -1.0302262 -0.1484075 0.3356728 -0.1882351 -2.5743020 0.6218621 0.3196617 0.6034065 -1.7700799 15 O -1.0302262 0.1484075 -0.3356728 0.1882351 -2.5743020 0.6218621 -0.3196617 0.6034065 -1.7700799 16 O -1.0302262 0.1484075 0.3356728 0.1882351 -2.5743020 -0.6218621 0.3196617 -0.6034065 -1.7700799 17 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 18 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 19 F -2.2946523 0.0000000 -0.4265237 0.0000000 -0.7179629 0.0000000 -0.3739499 0.0000000 -0.9644518 20 F -2.2946523 0.0000000 0.4265237 0.0000000 -0.7179629 0.0000000 0.3739499 0.0000000 -0.9644518 21 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 22 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 23 S 3.8796272 0.0000000 -0.3317157 0.0000000 3.6601486 0.0000000 -0.1672203 0.0000000 4.1629528 24 S 3.8796272 0.0000000 0.3317157 0.0000000 3.6601486 0.0000000 0.1672203 0.0000000 4.1629528 25 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 26 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 27 Y 4.2813044 0.0000000 0.3704735 0.0000000 3.8946615 0.0000000 0.0709629 0.0000000 4.2043184 28 Y 4.2813044 0.0000000 -0.3704735 0.0000000 3.8946615 0.0000000 -0.0709629 0.0000000 4.2043184 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 8 ] 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: 0.58, Number of G-points: 291, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 7.921 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.671 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 14.071 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 14.409 ( 0.000 0.000 0.000) 0.000 14.707 ( 0.000 0.000 0.000) 0.000 17.046 ( 0.000 0.000 0.000) 0.000 17.063 ( 0.000 0.000 0.000) 0.000 17.524 ( 0.000 0.000 0.000) 0.000 17.655 ( 0.000 0.000 0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000 19.077 ( 0.000 0.000 0.000) 0.000 28.979 ( 0.000 0.000 0.000) 0.000 29.012 ( 0.000 0.000 0.000) 0.000 29.491 ( 0.000 0.000 0.000) 0.000 29.622 ( 0.000 0.000 0.000) 0.000 29.872 ( 0.000 0.000 0.000) 0.000 29.916 ( 0.000 0.000 0.000) 0.000 30.180 ( 0.000 0.000 0.000) 0.000 30.455 ( 0.000 0.000 0.000) 0.000 33.049 ( 0.000 0.000 0.000) 0.000 33.355 ( 0.000 0.000 0.000) 0.000 33.724 ( 0.000 0.000 0.000) 0.000 33.845 ( 0.000 0.000 0.000) 0.000 34.522 ( 0.000 0.000 0.000) 0.000 34.605 ( 0.000 0.000 0.000) 0.000 35.828 ( 0.000 0.000 0.000) 0.000 36.704 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 0.335 ( 16.472 0.000 0.000) 16.472 0.783 ( 38.657 0.000 0.000) 38.657 1.511 ( -6.948 0.000 0.000) 6.948 1.622 ( 78.153 0.000 0.000) 78.153 2.157 ( 19.688 0.000 0.000) 19.688 2.241 ( 8.214 0.000 0.000) 8.214 2.522 ( 48.991 0.000 0.000) 48.991 2.540 ( 2.959 0.000 0.000) 2.959 2.632 ( 13.641 0.000 0.000) 13.641 3.130 ( 8.803 0.000 0.000) 8.803 3.147 ( 0.583 0.000 0.000) 0.583 3.377 ( -17.167 0.000 0.000) 17.167 3.575 ( -15.242 0.000 0.000) 15.242 3.692 ( -1.684 0.000 0.000) 1.684 3.939 ( 12.174 0.000 0.000) 12.174 4.196 ( 14.066 0.000 0.000) 14.066 4.791 ( -18.194 0.000 0.000) 18.194 4.813 ( -2.346 0.000 0.000) 2.346 4.876 ( -8.419 0.000 0.000) 8.419 5.106 ( -5.159 0.000 0.000) 5.159 5.130 ( 5.676 0.000 0.000) 5.676 5.170 ( -4.273 0.000 0.000) 4.273 5.287 ( -8.799 0.000 0.000) 8.799 5.407 ( -10.722 0.000 0.000) 10.722 5.440 ( -0.234 0.000 0.000) 0.234 5.471 ( 2.082 0.000 0.000) 2.082 5.898 ( 10.348 0.000 0.000) 10.348 6.001 ( 10.070 0.000 0.000) 10.070 6.443 ( -9.753 0.000 0.000) 9.753 6.612 ( -1.357 0.000 0.000) 1.357 6.737 ( -7.337 0.000 0.000) 7.337 6.908 ( 0.960 0.000 0.000) 0.960 7.006 ( -5.469 0.000 0.000) 5.469 7.041 ( -13.731 0.000 0.000) 13.731 7.183 ( 5.696 0.000 0.000) 5.696 7.300 ( 0.430 0.000 0.000) 0.430 7.903 ( -0.120 0.000 0.000) 0.120 7.937 ( -0.565 0.000 0.000) 0.565 7.944 ( -0.530 0.000 0.000) 0.530 7.946 ( 0.463 0.000 0.000) 0.463 7.971 ( 0.084 0.000 0.000) 0.084 7.999 ( 2.059 0.000 0.000) 2.059 8.305 ( -9.337 0.000 0.000) 9.337 8.503 ( -2.251 0.000 0.000) 2.251 11.573 ( 5.149 0.000 0.000) 5.149 11.776 ( 10.124 0.000 0.000) 10.124 11.792 ( 3.430 0.000 0.000) 3.430 12.168 ( -4.265 0.000 0.000) 4.265 12.205 ( -2.506 0.000 0.000) 2.506 13.013 ( -9.271 0.000 0.000) 9.271 13.800 ( 5.286 0.000 0.000) 5.286 14.078 ( 0.764 0.000 0.000) 0.764 14.149 ( -2.616 0.000 0.000) 2.616 14.259 ( -0.808 0.000 0.000) 0.808 14.407 ( -0.010 0.000 0.000) 0.010 14.674 ( -3.534 0.000 0.000) 3.534 17.050 ( 0.351 0.000 0.000) 0.351 17.066 ( 0.198 0.000 0.000) 0.198 17.529 ( 0.489 0.000 0.000) 0.489 17.643 ( -1.148 0.000 0.000) 1.148 17.813 ( 2.888 0.000 0.000) 2.888 18.023 ( 1.645 0.000 0.000) 1.645 18.106 ( -1.781 0.000 0.000) 1.781 18.212 ( -0.985 0.000 0.000) 0.985 18.892 ( 1.749 0.000 0.000) 1.749 19.027 ( -1.725 0.000 0.000) 1.725 19.082 ( -0.979 0.000 0.000) 0.979 19.088 ( 0.361 0.000 0.000) 0.361 28.982 ( 0.297 0.000 0.000) 0.297 29.011 ( -0.133 0.000 0.000) 0.133 29.497 ( 0.613 0.000 0.000) 0.613 29.618 ( -1.293 0.000 0.000) 1.293 29.880 ( 0.760 0.000 0.000) 0.760 29.918 ( 0.156 0.000 0.000) 0.156 30.194 ( 1.330 0.000 0.000) 1.330 30.431 ( -2.270 0.000 0.000) 2.270 33.081 ( 3.044 0.000 0.000) 3.044 33.346 ( -0.971 0.000 0.000) 0.971 33.756 ( -1.109 0.000 0.000) 1.109 33.825 ( -1.859 0.000 0.000) 1.859 34.693 ( 8.326 0.000 0.000) 8.326 35.737 ( -8.604 0.000 0.000) 8.604 36.748 ( 4.035 0.000 0.000) 4.035 37.092 ( -1.994 0.000 0.000) 1.994 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 15.887 0.000 0.000) 15.887 1.272 ( -14.269 0.000 0.000) 14.269 1.549 ( 37.257 0.000 0.000) 37.257 2.463 ( 12.889 0.000 0.000) 12.889 2.628 ( 5.977 0.000 0.000) 5.977 2.672 ( 17.088 0.000 0.000) 17.088 2.854 ( 13.547 0.000 0.000) 13.547 2.863 ( -16.157 0.000 0.000) 16.157 3.125 ( 55.045 0.000 0.000) 55.045 3.163 ( -3.946 0.000 0.000) 3.946 3.367 ( 13.941 0.000 0.000) 13.941 3.381 ( 4.520 0.000 0.000) 4.520 3.570 ( 38.720 0.000 0.000) 38.720 3.626 ( -5.474 0.000 0.000) 5.474 4.144 ( 14.120 0.000 0.000) 14.120 4.315 ( -28.224 0.000 0.000) 28.224 4.471 ( 13.179 0.000 0.000) 13.179 4.798 ( 1.455 0.000 0.000) 1.455 4.903 ( 13.080 0.000 0.000) 13.080 4.952 ( -9.797 0.000 0.000) 9.797 4.991 ( -22.428 0.000 0.000) 22.428 5.037 ( -8.175 0.000 0.000) 8.175 5.132 ( -16.010 0.000 0.000) 16.010 5.250 ( 5.819 0.000 0.000) 5.819 5.418 ( -2.118 0.000 0.000) 2.118 5.502 ( 4.012 0.000 0.000) 4.012 6.071 ( -24.943 0.000 0.000) 24.943 6.140 ( 12.935 0.000 0.000) 12.935 6.274 ( -33.032 0.000 0.000) 33.032 6.278 ( 15.705 0.000 0.000) 15.705 6.596 ( -6.522 0.000 0.000) 6.522 6.838 ( -11.404 0.000 0.000) 11.404 6.909 ( 1.198 0.000 0.000) 1.198 6.935 ( 1.321 0.000 0.000) 1.321 7.295 ( 4.434 0.000 0.000) 4.434 7.321 ( 1.522 0.000 0.000) 1.522 7.903 ( 0.204 0.000 0.000) 0.204 7.923 ( -0.688 0.000 0.000) 0.688 7.945 ( 0.886 0.000 0.000) 0.886 7.956 ( 0.511 0.000 0.000) 0.511 7.971 ( -0.137 0.000 0.000) 0.137 8.069 ( 5.367 0.000 0.000) 5.367 8.121 ( -8.226 0.000 0.000) 8.226 8.395 ( -7.908 0.000 0.000) 7.908 11.712 ( 8.275 0.000 0.000) 8.275 11.887 ( 5.722 0.000 0.000) 5.722 12.051 ( -7.177 0.000 0.000) 7.177 12.055 ( 16.812 0.000 0.000) 16.812 12.127 ( -5.051 0.000 0.000) 5.051 12.761 ( -15.275 0.000 0.000) 15.275 13.917 ( 5.692 0.000 0.000) 5.692 14.087 ( -3.340 0.000 0.000) 3.340 14.105 ( 2.017 0.000 0.000) 2.017 14.225 ( -2.649 0.000 0.000) 2.649 14.422 ( 1.816 0.000 0.000) 1.816 14.583 ( -5.129 0.000 0.000) 5.129 17.059 ( 0.482 0.000 0.000) 0.482 17.069 ( 0.066 0.000 0.000) 0.066 17.545 ( 1.160 0.000 0.000) 1.160 17.612 ( -1.819 0.000 0.000) 1.819 17.889 ( 4.407 0.000 0.000) 4.407 18.055 ( -3.198 0.000 0.000) 3.198 18.068 ( 2.737 0.000 0.000) 2.737 18.179 ( -2.194 0.000 0.000) 2.194 18.935 ( 2.175 0.000 0.000) 2.175 18.995 ( -1.413 0.000 0.000) 1.413 19.063 ( -0.642 0.000 0.000) 0.642 19.084 ( -0.722 0.000 0.000) 0.722 28.990 ( 0.457 0.000 0.000) 0.457 29.007 ( -0.291 0.000 0.000) 0.291 29.516 ( 1.262 0.000 0.000) 1.262 29.585 ( -1.892 0.000 0.000) 1.892 29.899 ( 0.928 0.000 0.000) 0.928 29.920 ( -0.053 0.000 0.000) 0.053 30.234 ( 2.621 0.000 0.000) 2.621 30.370 ( -3.560 0.000 0.000) 3.560 33.161 ( 4.501 0.000 0.000) 4.501 33.313 ( -2.360 0.000 0.000) 2.360 33.737 ( -0.517 0.000 0.000) 0.517 33.780 ( -2.347 0.000 0.000) 2.347 34.919 ( 13.552 0.000 0.000) 13.552 35.508 ( -13.545 0.000 0.000) 13.545 36.846 ( 5.229 0.000 0.000) 5.229 37.035 ( -3.663 0.000 0.000) 3.663 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -15.235 0.000 0.000) 15.235 0.973 ( 15.235 0.000 0.000) 15.235 2.269 ( -33.873 0.000 0.000) 33.873 2.269 ( 33.873 0.000 0.000) 33.873 2.679 ( -6.633 0.000 0.000) 6.633 2.679 ( 6.633 0.000 0.000) 6.633 2.818 ( -13.159 0.000 0.000) 13.159 2.818 ( 13.159 0.000 0.000) 13.159 3.426 ( -16.819 0.000 0.000) 16.819 3.426 ( 16.819 0.000 0.000) 16.819 3.633 ( -9.547 0.000 0.000) 9.547 3.633 ( 9.547 0.000 0.000) 9.547 3.719 ( -27.243 0.000 0.000) 27.243 3.719 ( 27.243 0.000 0.000) 27.243 4.317 ( -44.832 0.000 0.000) 44.832 4.317 ( 44.832 0.000 0.000) 44.832 4.721 ( -27.626 0.000 0.000) 27.626 4.721 ( 27.626 0.000 0.000) 27.626 4.727 ( -12.181 0.000 0.000) 12.181 4.727 ( 12.181 0.000 0.000) 12.181 4.880 ( -6.512 0.000 0.000) 6.512 4.880 ( 6.512 0.000 0.000) 6.512 5.354 ( -4.272 0.000 0.000) 4.272 5.354 ( 4.272 0.000 0.000) 4.272 5.420 ( -36.945 0.000 0.000) 36.945 5.420 ( 36.945 0.000 0.000) 36.945 5.704 ( -17.451 0.000 0.000) 17.451 5.704 ( 17.451 0.000 0.000) 17.451 6.406 ( -12.375 0.000 0.000) 12.375 6.406 ( 12.375 0.000 0.000) 12.375 6.578 ( -13.918 0.000 0.000) 13.918 6.578 ( 13.918 0.000 0.000) 13.918 6.942 ( -0.904 0.000 0.000) 0.904 6.942 ( 0.904 0.000 0.000) 0.904 7.341 ( -0.165 0.000 0.000) 0.165 7.341 ( 0.165 0.000 0.000) 0.165 7.911 ( -0.540 0.000 0.000) 0.540 7.911 ( 0.540 0.000 0.000) 0.540 7.965 ( -0.377 0.000 0.000) 0.377 7.965 ( 0.377 0.000 0.000) 0.377 7.993 ( -4.253 0.000 0.000) 4.253 7.993 ( 4.253 0.000 0.000) 4.253 8.217 ( -8.877 0.000 0.000) 8.877 8.217 ( 8.877 0.000 0.000) 8.877 11.888 ( -8.778 0.000 0.000) 8.778 11.888 ( 8.778 0.000 0.000) 8.778 12.010 ( -6.263 0.000 0.000) 6.263 12.010 ( 6.263 0.000 0.000) 6.263 12.417 ( -18.332 0.000 0.000) 18.332 12.417 ( 18.332 0.000 0.000) 18.332 14.015 ( -4.035 0.000 0.000) 4.035 14.015 ( 4.035 0.000 0.000) 4.035 14.161 ( -3.324 0.000 0.000) 3.324 14.161 ( 3.324 0.000 0.000) 3.324 14.484 ( -4.268 0.000 0.000) 4.268 14.484 ( 4.268 0.000 0.000) 4.268 17.067 ( -0.286 0.000 0.000) 0.286 17.067 ( 0.286 0.000 0.000) 0.286 17.575 ( -1.764 0.000 0.000) 1.764 17.575 ( 1.764 0.000 0.000) 1.764 17.979 ( -4.292 0.000 0.000) 4.292 17.979 ( 4.292 0.000 0.000) 4.292 18.127 ( -2.921 0.000 0.000) 2.921 18.127 ( 2.921 0.000 0.000) 2.921 18.970 ( -1.273 0.000 0.000) 1.273 18.970 ( 1.273 0.000 0.000) 1.273 19.065 ( -0.833 0.000 0.000) 0.833 19.065 ( 0.833 0.000 0.000) 0.833 28.999 ( -0.433 0.000 0.000) 0.433 28.999 ( 0.433 0.000 0.000) 0.433 29.547 ( -1.788 0.000 0.000) 1.788 29.547 ( 1.788 0.000 0.000) 1.788 29.914 ( -0.556 0.000 0.000) 0.556 29.914 ( 0.556 0.000 0.000) 0.556 30.297 ( -3.553 0.000 0.000) 3.553 30.297 ( 3.553 0.000 0.000) 3.553 33.249 ( -3.961 0.000 0.000) 3.961 33.249 ( 3.961 0.000 0.000) 3.961 33.743 ( -1.133 0.000 0.000) 1.133 33.743 ( 1.133 0.000 0.000) 1.133 35.214 ( -15.181 0.000 0.000) 15.181 35.214 ( 15.181 0.000 0.000) 15.181 36.948 ( -4.814 0.000 0.000) 4.814 36.948 ( 4.814 0.000 0.000) 4.814 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 20.160 0.000) 20.160 0.516 ( 0.000 25.300 0.000) 25.300 1.542 ( 0.000 62.835 0.000) 62.835 1.771 ( 0.000 11.775 0.000) 11.775 1.918 ( 0.000 4.433 0.000) 4.433 2.264 ( 0.000 7.970 0.000) 7.970 2.328 ( 0.000 28.176 0.000) 28.176 2.525 ( 0.000 7.085 0.000) 7.085 2.536 ( 0.000 0.477 0.000) 0.477 3.022 ( 0.000 0.037 0.000) 0.037 3.165 ( 0.000 1.358 0.000) 1.358 3.607 ( 0.000 -0.424 0.000) 0.424 3.645 ( 0.000 -0.565 0.000) 0.565 3.856 ( 0.000 12.382 0.000) 12.382 3.972 ( 0.000 3.020 0.000) 3.020 4.004 ( 0.000 13.455 0.000) 13.455 4.816 ( 0.000 -1.987 0.000) 1.987 5.011 ( 0.000 0.055 0.000) 0.055 5.025 ( 0.000 -2.335 0.000) 2.335 5.061 ( 0.000 1.677 0.000) 1.677 5.066 ( 0.000 2.283 0.000) 2.283 5.153 ( 0.000 -1.425 0.000) 1.425 5.193 ( 0.000 3.418 0.000) 3.418 5.424 ( 0.000 3.932 0.000) 3.932 5.542 ( 0.000 1.500 0.000) 1.500 5.556 ( 0.000 16.958 0.000) 16.958 5.801 ( 0.000 -1.299 0.000) 1.299 6.281 ( 0.000 4.527 0.000) 4.527 6.549 ( 0.000 3.767 0.000) 3.767 6.636 ( 0.000 2.792 0.000) 2.792 6.746 ( 0.000 0.850 0.000) 0.850 6.844 ( 0.000 1.060 0.000) 1.060 6.895 ( 0.000 -0.619 0.000) 0.619 7.047 ( 0.000 -0.394 0.000) 0.394 7.228 ( 0.000 1.349 0.000) 1.349 7.234 ( 0.000 -5.019 0.000) 5.019 7.857 ( 0.000 -4.519 0.000) 4.519 7.895 ( 0.000 -6.826 0.000) 6.826 7.930 ( 0.000 0.686 0.000) 0.686 7.957 ( 0.000 0.500 0.000) 0.500 7.968 ( 0.000 -0.699 0.000) 0.699 8.434 ( 0.000 -0.899 0.000) 0.899 8.479 ( 0.000 -1.177 0.000) 1.177 9.892 ( 0.000 -19.421 0.000) 19.421 11.483 ( 0.000 -2.814 0.000) 2.814 11.592 ( 0.000 -3.863 0.000) 3.863 11.715 ( 0.000 3.345 0.000) 3.345 11.793 ( 0.000 2.449 0.000) 2.449 12.221 ( 0.000 0.491 0.000) 0.491 12.229 ( 0.000 0.287 0.000) 0.287 13.138 ( 0.000 2.449 0.000) 2.449 13.712 ( 0.000 -2.797 0.000) 2.797 14.070 ( 0.000 0.172 0.000) 0.172 14.283 ( 0.000 1.793 0.000) 1.793 14.387 ( 0.000 -2.138 0.000) 2.138 14.681 ( 0.000 -2.479 0.000) 2.479 17.078 ( 0.000 1.452 0.000) 1.452 17.195 ( 0.000 2.415 0.000) 2.415 17.494 ( 0.000 -2.806 0.000) 2.806 17.633 ( 0.000 -2.101 0.000) 2.101 17.744 ( 0.000 0.362 0.000) 0.362 17.780 ( 0.000 -0.231 0.000) 0.231 18.129 ( 0.000 0.445 0.000) 0.445 18.216 ( 0.000 -0.430 0.000) 0.430 18.897 ( 0.000 2.110 0.000) 2.110 18.964 ( 0.000 0.734 0.000) 0.734 19.060 ( 0.000 0.714 0.000) 0.714 19.079 ( 0.000 0.227 0.000) 0.227 29.094 ( 0.000 7.266 0.000) 7.266 29.470 ( 0.000 -1.436 0.000) 1.436 29.569 ( 0.000 -3.696 0.000) 3.696 29.837 ( 0.000 -3.289 0.000) 3.289 29.960 ( 0.000 4.144 0.000) 4.144 30.252 ( 0.000 5.802 0.000) 5.802 30.630 ( 0.000 15.351 0.000) 15.351 32.517 ( 0.000 -9.909 0.000) 9.909 33.124 ( 0.000 6.060 0.000) 6.060 33.351 ( 0.000 -0.186 0.000) 0.186 33.698 ( 0.000 -2.452 0.000) 2.452 33.799 ( 0.000 -4.297 0.000) 4.297 34.524 ( 0.000 0.205 0.000) 0.205 34.599 ( 0.000 -0.587 0.000) 0.587 35.856 ( 0.000 2.685 0.000) 2.685 36.642 ( 0.000 -5.770 0.000) 5.770 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 0.919 ( 31.310 12.553 0.000) 33.732 1.459 ( 27.061 41.200 0.000) 49.293 1.759 ( 46.693 28.755 0.000) 54.837 1.947 ( 5.073 25.398 0.000) 25.900 2.249 ( 9.755 11.471 0.000) 15.058 2.303 ( 18.112 0.953 0.000) 18.137 2.496 ( 24.625 3.734 0.000) 24.907 2.605 ( 20.051 3.394 0.000) 20.336 2.758 ( 13.057 11.781 0.000) 17.587 3.100 ( 7.227 -1.903 0.000) 7.474 3.178 ( 3.069 2.671 0.000) 4.069 3.399 ( -14.507 2.053 0.000) 14.652 3.672 ( -15.784 8.375 0.000) 17.868 3.813 ( 2.896 3.930 0.000) 4.882 3.864 ( 5.030 2.111 0.000) 5.455 4.285 ( 14.037 7.760 0.000) 16.039 4.773 ( -9.088 -5.284 0.000) 10.513 4.774 ( -2.877 -1.852 0.000) 3.422 4.847 ( -15.320 4.846 0.000) 16.068 5.111 ( 2.877 0.267 0.000) 2.889 5.130 ( -3.214 -4.637 0.000) 5.642 5.186 ( 0.931 3.601 0.000) 3.720 5.360 ( -6.030 5.149 0.000) 7.929 5.403 ( 2.479 11.120 0.000) 11.393 5.439 ( -9.221 2.662 0.000) 9.598 5.642 ( 12.988 5.717 0.000) 14.190 5.897 ( 8.791 -0.737 0.000) 8.821 6.123 ( -5.716 9.071 0.000) 10.721 6.479 ( -10.142 3.461 0.000) 10.716 6.646 ( -0.957 3.177 0.000) 3.318 6.746 ( -7.429 0.832 0.000) 7.476 6.896 ( 3.323 -1.569 0.000) 3.675 6.947 ( 10.723 -6.392 0.000) 12.483 7.002 ( -6.185 -0.433 0.000) 6.200 7.021 ( -12.978 -1.901 0.000) 13.116 7.282 ( 0.919 -1.252 0.000) 1.553 7.857 ( -0.045 -4.524 0.000) 4.525 7.892 ( -0.323 -6.592 0.000) 6.600 7.893 ( -2.660 0.641 0.000) 2.737 7.948 ( -0.873 -0.127 0.000) 0.882 7.988 ( 1.410 -0.832 0.000) 1.638 8.305 ( -8.759 -0.202 0.000) 8.762 8.484 ( -2.549 -1.898 0.000) 3.178 8.691 ( -41.840 27.637 0.000) 50.143 11.549 ( 6.510 -1.681 0.000) 6.723 11.789 ( 3.578 -0.413 0.000) 3.602 11.809 ( 9.280 2.689 0.000) 9.661 12.173 ( -4.237 0.512 0.000) 4.268 12.207 ( -2.590 0.209 0.000) 2.599 13.040 ( -9.157 2.630 0.000) 9.527 13.119 ( 55.736 -58.304 0.000) 80.659 13.757 ( 3.666 -4.355 0.000) 5.693 14.080 ( 1.118 0.498 0.000) 1.224 14.265 ( -1.659 1.632 0.000) 2.328 14.385 ( 0.001 -2.102 0.000) 2.102 14.644 ( -3.479 -2.480 0.000) 4.273 17.081 ( 0.228 1.482 0.000) 1.499 17.132 ( -3.204 5.017 0.000) 5.953 17.499 ( 0.546 -2.752 0.000) 2.806 17.620 ( -1.189 -2.153 0.000) 2.459 17.809 ( 2.940 -0.325 0.000) 2.958 17.873 ( 7.815 -6.367 0.000) 10.080 18.109 ( -1.885 0.346 0.000) 1.916 18.204 ( -1.288 -0.715 0.000) 1.473 18.881 ( 0.462 0.486 0.000) 0.670 19.006 ( 1.629 -1.530 0.000) 2.235 19.038 ( -1.619 0.948 0.000) 1.876 19.081 ( -0.337 -0.498 0.000) 0.601 29.104 ( 1.060 8.144 0.000) 8.213 29.476 ( 0.660 -1.348 0.000) 1.501 29.552 ( -1.975 -2.746 0.000) 3.382 29.817 ( -3.762 -1.334 0.000) 3.991 29.959 ( -0.153 3.942 0.000) 3.945 30.270 ( 1.734 6.150 0.000) 6.389 30.449 ( -59.141 59.849 0.000) 84.140 30.630 ( -16.191 26.676 0.000) 31.205 33.088 ( 2.611 1.065 0.000) 2.819 33.341 ( -1.011 -0.233 0.000) 1.038 33.724 ( -1.228 -3.078 0.000) 3.314 33.780 ( -1.786 -4.227 0.000) 4.589 34.697 ( 9.333 0.524 0.000) 9.348 35.768 ( -8.261 3.079 0.000) 8.816 36.161 ( 52.482 -54.443 0.000) 75.620 36.676 ( 3.018 -6.721 0.000) 7.367 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 34.708 5.364 0.000) 35.120 1.602 ( 4.089 57.904 0.000) 58.048 1.844 ( -7.800 39.505 0.000) 40.267 2.515 ( 9.449 3.694 0.000) 10.145 2.597 ( 11.369 -1.787 0.000) 11.509 2.747 ( 23.056 4.833 0.000) 23.557 2.887 ( 5.164 3.096 0.000) 6.021 2.930 ( -13.738 5.220 0.000) 14.696 3.215 ( 52.057 8.271 0.000) 52.710 3.249 ( -1.018 6.918 0.000) 6.993 3.368 ( 14.764 1.306 0.000) 14.821 3.434 ( 1.652 5.906 0.000) 6.133 3.547 ( 31.186 -1.445 0.000) 31.220 3.772 ( -3.234 12.173 0.000) 12.595 4.000 ( 12.936 -9.534 0.000) 16.070 4.381 ( -22.836 3.037 0.000) 23.037 4.548 ( 11.665 5.040 0.000) 12.708 4.744 ( 0.545 -1.357 0.000) 1.462 4.786 ( 3.778 -2.118 0.000) 4.332 5.009 ( -17.695 2.135 0.000) 17.823 5.009 ( -7.955 -2.372 0.000) 8.301 5.155 ( -14.103 2.395 0.000) 14.305 5.187 ( 1.428 9.162 0.000) 9.272 5.331 ( 1.073 5.835 0.000) 5.933 5.385 ( 0.380 8.864 0.000) 8.872 5.741 ( -0.943 14.266 0.000) 14.297 6.106 ( -24.411 3.331 0.000) 24.638 6.124 ( 13.446 -1.434 0.000) 13.523 6.273 ( 15.636 -0.106 0.000) 15.636 6.311 ( -31.332 3.713 0.000) 31.551 6.612 ( -6.339 1.602 0.000) 6.539 6.831 ( -11.439 -0.576 0.000) 11.454 6.907 ( 1.696 -0.009 0.000) 1.696 6.935 ( 1.489 -0.022 0.000) 1.490 7.169 ( 9.132 -8.257 0.000) 12.311 7.298 ( 0.678 -2.050 0.000) 2.159 7.844 ( -1.004 -1.793 0.000) 2.055 7.863 ( 0.188 -3.738 0.000) 3.742 7.882 ( -0.710 -6.193 0.000) 6.234 7.918 ( -2.233 -1.771 0.000) 2.851 8.024 ( 2.173 -0.786 0.000) 2.311 8.144 ( -6.225 0.991 0.000) 6.304 8.262 ( -8.092 11.425 0.000) 14.000 8.377 ( -7.310 -2.021 0.000) 7.584 11.711 ( 8.946 0.070 0.000) 8.946 11.885 ( 5.742 -0.214 0.000) 5.746 12.057 ( -7.145 0.594 0.000) 7.170 12.078 ( 16.749 2.176 0.000) 16.890 12.127 ( -5.142 0.025 0.000) 5.142 12.790 ( -15.305 2.786 0.000) 15.557 13.718 ( 12.935 -31.702 0.000) 34.240 13.826 ( 2.534 -8.669 0.000) 9.032 14.116 ( 2.394 1.118 0.000) 2.642 14.224 ( -2.365 1.112 0.000) 2.613 14.399 ( 1.739 -2.108 0.000) 2.733 14.554 ( -5.006 -2.426 0.000) 5.563 17.085 ( 0.194 1.631 0.000) 1.643 17.095 ( -0.769 3.333 0.000) 3.421 17.517 ( 1.261 -2.601 0.000) 2.891 17.588 ( -1.886 -2.251 0.000) 2.937 17.886 ( 4.433 -0.259 0.000) 4.441 18.001 ( 5.225 -5.086 0.000) 7.291 18.056 ( -3.349 0.084 0.000) 3.350 18.163 ( -2.795 -1.515 0.000) 3.179 18.918 ( 2.759 -1.218 0.000) 3.016 19.005 ( -1.540 0.908 0.000) 1.787 19.018 ( 0.009 -1.786 0.000) 1.786 19.060 ( -1.632 -1.741 0.000) 2.386 29.140 ( 2.734 11.121 0.000) 11.452 29.425 ( -12.460 18.678 0.000) 22.453 29.496 ( 1.302 -1.101 0.000) 1.705 29.596 ( -7.033 8.632 0.000) 11.134 29.948 ( -2.316 10.705 0.000) 10.953 29.953 ( -0.413 3.612 0.000) 3.636 30.322 ( 3.469 7.240 0.000) 8.028 30.512 ( -5.260 12.124 0.000) 13.216 33.161 ( 4.266 0.284 0.000) 4.276 33.308 ( -2.354 -0.281 0.000) 2.370 33.700 ( -0.755 -3.523 0.000) 3.603 33.737 ( -2.230 -4.051 0.000) 4.624 34.944 ( 14.469 2.590 0.000) 14.699 35.546 ( -13.311 3.739 0.000) 13.826 36.689 ( 10.359 -28.497 0.000) 30.321 36.741 ( 2.952 -9.628 0.000) 10.071 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -6.027 48.754 0.000) 49.125 1.703 ( 6.027 48.754 0.000) 49.125 2.267 ( -29.841 1.091 0.000) 29.861 2.267 ( 29.841 1.091 0.000) 29.861 2.761 ( -4.021 4.696 0.000) 6.182 2.761 ( 4.021 4.696 0.000) 6.182 2.902 ( -14.351 8.351 0.000) 16.604 2.902 ( 14.351 8.351 0.000) 16.604 3.455 ( -19.404 -2.865 0.000) 19.615 3.455 ( 19.404 -2.865 0.000) 19.615 3.624 ( -10.989 6.835 0.000) 12.941 3.624 ( 10.989 6.835 0.000) 12.941 3.761 ( -21.839 2.154 0.000) 21.945 3.761 ( 21.839 2.154 0.000) 21.945 4.375 ( -41.960 5.104 0.000) 42.269 4.375 ( 41.960 5.104 0.000) 42.269 4.646 ( -16.610 -4.776 0.000) 17.283 4.646 ( 16.610 -4.776 0.000) 17.283 4.801 ( -3.200 6.261 0.000) 7.031 4.801 ( 3.200 6.261 0.000) 7.031 4.884 ( -2.588 0.118 0.000) 2.591 4.884 ( 2.588 0.118 0.000) 2.591 5.334 ( -5.114 -1.140 0.000) 5.239 5.334 ( 5.114 -1.140 0.000) 5.239 5.545 ( -24.084 11.154 0.000) 26.541 5.545 ( 24.084 11.154 0.000) 26.541 5.813 ( -12.044 9.832 0.000) 15.547 5.813 ( 12.044 9.832 0.000) 15.547 6.411 ( -13.535 0.548 0.000) 13.546 6.411 ( 13.535 0.548 0.000) 13.546 6.574 ( -13.719 -0.347 0.000) 13.723 6.574 ( 13.719 -0.347 0.000) 13.723 6.944 ( -0.872 0.196 0.000) 0.893 6.944 ( 0.872 0.196 0.000) 0.893 7.287 ( -2.596 -4.687 0.000) 5.358 7.287 ( 2.596 -4.687 0.000) 5.358 7.856 ( -1.944 -4.834 0.000) 5.211 7.856 ( 1.944 -4.834 0.000) 5.211 7.875 ( -1.085 -3.317 0.000) 3.490 7.875 ( 1.085 -3.317 0.000) 3.490 8.067 ( -2.140 1.393 0.000) 2.554 8.067 ( 2.140 1.393 0.000) 2.554 8.240 ( -4.641 1.105 0.000) 4.770 8.240 ( 4.641 1.105 0.000) 4.770 11.893 ( -8.880 0.606 0.000) 8.900 11.893 ( 8.880 0.606 0.000) 8.900 12.009 ( -6.314 -0.124 0.000) 6.315 12.009 ( 6.314 -0.124 0.000) 6.315 12.443 ( -18.541 2.546 0.000) 18.715 12.443 ( 18.541 2.546 0.000) 18.715 13.841 ( -1.565 -16.075 0.000) 16.151 13.841 ( 1.565 -16.075 0.000) 16.151 14.171 ( -2.831 1.098 0.000) 3.036 14.171 ( 2.831 1.098 0.000) 3.036 14.459 ( -4.101 -2.267 0.000) 4.686 14.459 ( 4.101 -2.267 0.000) 4.686 17.088 ( -0.134 2.115 0.000) 2.119 17.088 ( 0.134 2.115 0.000) 2.119 17.549 ( -1.867 -2.408 0.000) 3.047 17.549 ( 1.867 -2.408 0.000) 3.047 17.977 ( -4.379 -0.158 0.000) 4.382 17.977 ( 4.379 -0.158 0.000) 4.382 18.093 ( -4.047 -2.901 0.000) 4.980 18.093 ( 4.047 -2.901 0.000) 4.980 18.972 ( -2.119 -0.069 0.000) 2.120 18.972 ( 2.119 -0.069 0.000) 2.120 19.026 ( -1.218 -2.258 0.000) 2.565 19.026 ( 1.218 -2.258 0.000) 2.565 29.227 ( -6.463 17.142 0.000) 18.320 29.227 ( 6.463 17.142 0.000) 18.320 29.529 ( -2.008 -0.340 0.000) 2.036 29.529 ( 2.008 -0.340 0.000) 2.036 29.943 ( -0.494 4.091 0.000) 4.120 29.943 ( 0.494 4.091 0.000) 4.120 30.407 ( -4.885 9.208 0.000) 10.423 30.407 ( 4.885 9.208 0.000) 10.423 33.245 ( -3.822 -0.135 0.000) 3.824 33.245 ( 3.822 -0.135 0.000) 3.824 33.702 ( -0.986 -3.834 0.000) 3.959 33.702 ( 0.986 -3.834 0.000) 3.959 35.252 ( -15.471 3.770 0.000) 15.924 35.252 ( 15.471 3.770 0.000) 15.924 36.775 ( -0.224 -15.559 0.000) 15.561 36.775 ( 0.224 -15.559 0.000) 15.561 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 18.681 0.000) 18.681 1.035 ( 0.000 24.467 0.000) 24.467 1.704 ( 0.000 -8.794 0.000) 8.794 1.903 ( 0.000 1.941 0.000) 1.941 2.402 ( 0.000 4.928 0.000) 4.928 2.533 ( 0.000 0.224 0.000) 0.224 2.665 ( 0.000 5.543 0.000) 5.543 2.706 ( 0.000 3.177 0.000) 3.177 2.944 ( 0.000 53.379 0.000) 53.379 3.183 ( 0.000 12.702 0.000) 12.702 3.199 ( 0.000 1.911 0.000) 1.911 3.600 ( 0.000 -0.361 0.000) 0.361 3.637 ( 0.000 0.320 0.000) 0.320 4.103 ( 0.000 9.011 0.000) 9.011 4.112 ( 0.000 10.106 0.000) 10.106 4.233 ( 0.000 5.791 0.000) 5.791 4.865 ( 0.000 9.691 0.000) 9.691 4.955 ( 0.000 -4.236 0.000) 4.236 4.979 ( 0.000 -3.990 0.000) 3.990 5.054 ( 0.000 -0.137 0.000) 0.137 5.120 ( 0.000 -1.547 0.000) 1.547 5.200 ( 0.000 11.527 0.000) 11.527 5.359 ( 0.000 9.051 0.000) 9.051 5.506 ( 0.000 3.532 0.000) 3.532 5.571 ( 0.000 1.096 0.000) 1.096 5.757 ( 0.000 -3.162 0.000) 3.162 6.114 ( 0.000 35.259 0.000) 35.259 6.431 ( 0.000 10.121 0.000) 10.121 6.655 ( 0.000 6.055 0.000) 6.055 6.706 ( 0.000 3.412 0.000) 3.412 6.772 ( 0.000 1.633 0.000) 1.633 6.875 ( 0.000 -1.225 0.000) 1.225 6.880 ( 0.000 2.526 0.000) 2.526 7.040 ( 0.000 0.082 0.000) 0.082 7.116 ( 0.000 -5.821 0.000) 5.821 7.271 ( 0.000 2.626 0.000) 2.626 7.710 ( 0.000 -10.180 0.000) 10.180 7.723 ( 0.000 -7.721 0.000) 7.721 7.924 ( 0.000 -4.323 0.000) 4.323 7.945 ( 0.000 -1.620 0.000) 1.620 7.953 ( 0.000 1.786 0.000) 1.786 8.405 ( 0.000 -1.712 0.000) 1.712 8.443 ( 0.000 -2.202 0.000) 2.202 9.327 ( 0.000 -34.303 0.000) 34.303 11.432 ( 0.000 -1.829 0.000) 1.829 11.510 ( 0.000 -3.820 0.000) 3.820 11.784 ( 0.000 2.989 0.000) 2.989 11.836 ( 0.000 1.486 0.000) 1.486 12.235 ( 0.000 0.801 0.000) 0.801 12.238 ( 0.000 0.592 0.000) 0.592 13.209 ( 0.000 4.376 0.000) 4.376 13.615 ( 0.000 -6.457 0.000) 6.457 14.092 ( 0.000 2.128 0.000) 2.128 14.324 ( 0.000 -3.752 0.000) 3.752 14.337 ( 0.000 3.300 0.000) 3.300 14.610 ( 0.000 -4.232 0.000) 4.232 17.126 ( 0.000 3.215 0.000) 3.215 17.267 ( 0.000 4.406 0.000) 4.406 17.416 ( 0.000 -4.563 0.000) 4.563 17.571 ( 0.000 -3.782 0.000) 3.782 17.751 ( 0.000 0.355 0.000) 0.355 17.773 ( 0.000 -0.362 0.000) 0.362 18.142 ( 0.000 0.809 0.000) 0.809 18.203 ( 0.000 -0.823 0.000) 0.823 18.948 ( 0.000 2.483 0.000) 2.483 18.983 ( 0.000 0.986 0.000) 0.986 19.080 ( 0.000 1.100 0.000) 1.100 19.088 ( 0.000 0.569 0.000) 0.569 29.269 ( 0.000 8.534 0.000) 8.534 29.453 ( 0.000 -0.112 0.000) 0.112 29.517 ( 0.000 -0.773 0.000) 0.773 29.745 ( 0.000 -5.286 0.000) 5.286 30.081 ( 0.000 7.360 0.000) 7.360 30.360 ( 0.000 3.389 0.000) 3.389 31.021 ( 0.000 21.207 0.000) 21.207 32.254 ( 0.000 -15.264 0.000) 15.264 33.263 ( 0.000 6.963 0.000) 6.963 33.359 ( 0.000 1.328 0.000) 1.328 33.627 ( 0.000 -4.293 0.000) 4.293 33.680 ( 0.000 -6.880 0.000) 6.880 34.531 ( 0.000 0.483 0.000) 0.483 34.583 ( 0.000 -0.935 0.000) 0.935 35.942 ( 0.000 5.661 0.000) 5.661 36.481 ( 0.000 -9.264 0.000) 9.264 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.257 ( 20.537 18.897 0.000) 27.908 1.731 ( 61.581 7.743 0.000) 62.065 2.134 ( 19.106 -1.210 0.000) 19.144 2.216 ( 31.593 -6.771 0.000) 32.311 2.450 ( 7.789 10.809 0.000) 13.323 2.567 ( -0.046 11.860 0.000) 11.860 2.632 ( 15.778 1.180 0.000) 15.823 2.973 ( 16.930 1.905 0.000) 17.037 3.023 ( 8.354 43.382 0.000) 44.179 3.118 ( -4.503 4.822 0.000) 6.598 3.276 ( 5.869 5.860 0.000) 8.294 3.458 ( -9.522 3.923 0.000) 10.299 3.729 ( 3.827 -3.952 0.000) 5.501 3.917 ( -11.533 15.530 0.000) 19.344 4.091 ( -2.175 9.845 0.000) 10.083 4.382 ( 7.892 -0.988 0.000) 7.954 4.696 ( -11.818 -2.212 0.000) 12.023 4.870 ( 1.222 12.923 0.000) 12.980 4.958 ( -8.539 4.053 0.000) 9.453 5.016 ( -3.422 -4.873 0.000) 5.955 5.208 ( -0.454 9.103 0.000) 9.114 5.209 ( 3.030 -0.763 0.000) 3.125 5.456 ( -6.238 3.726 0.000) 7.266 5.498 ( -5.062 2.707 0.000) 5.741 5.609 ( 20.731 4.433 0.000) 21.200 5.817 ( 6.921 0.379 0.000) 6.932 6.053 ( -5.535 27.715 0.000) 28.262 6.345 ( -5.722 13.374 0.000) 14.547 6.582 ( -10.714 6.352 0.000) 12.456 6.726 ( -0.031 3.499 0.000) 3.499 6.779 ( -6.688 2.730 0.000) 7.223 6.865 ( 6.909 -0.250 0.000) 6.914 6.899 ( 2.763 -1.022 0.000) 2.946 6.957 ( -12.512 -3.641 0.000) 13.031 7.006 ( -4.582 0.843 0.000) 4.658 7.270 ( -0.529 0.302 0.000) 0.609 7.711 ( 0.065 -10.049 0.000) 10.049 7.721 ( -0.108 -7.814 0.000) 7.814 7.910 ( -1.438 -4.332 0.000) 4.564 7.919 ( -2.343 1.726 0.000) 2.910 7.961 ( 0.698 -1.847 0.000) 1.975 8.295 ( -7.997 -0.632 0.000) 8.022 8.423 ( -3.861 -3.886 0.000) 5.478 8.813 ( -32.964 -12.642 0.000) 35.305 11.526 ( 8.821 -0.166 0.000) 8.822 11.759 ( 6.325 -3.091 0.000) 7.040 11.870 ( 8.834 2.975 0.000) 9.322 12.189 ( -4.080 0.977 0.000) 4.195 12.213 ( -2.856 0.358 0.000) 2.878 12.290 ( 42.763 -24.047 0.000) 49.061 13.119 ( -8.584 4.961 0.000) 9.914 13.619 ( -0.216 -8.662 0.000) 8.665 14.108 ( 1.558 2.201 0.000) 2.697 14.315 ( -2.034 3.099 0.000) 3.707 14.324 ( 0.166 -3.569 0.000) 3.573 14.575 ( -3.310 -4.084 0.000) 5.257 17.130 ( 0.360 3.302 0.000) 3.322 17.235 ( -2.527 5.251 0.000) 5.827 17.422 ( 0.679 -4.498 0.000) 4.549 17.558 ( -1.283 -3.831 0.000) 4.040 17.797 ( 3.684 -0.799 0.000) 3.769 17.808 ( 3.702 -0.990 0.000) 3.832 18.120 ( -2.159 0.655 0.000) 2.256 18.184 ( -1.958 -1.167 0.000) 2.279 18.919 ( -1.285 2.636 0.000) 2.933 19.001 ( 0.659 0.213 0.000) 0.693 19.062 ( -1.504 1.221 0.000) 1.937 19.076 ( -1.340 0.097 0.000) 1.344 29.291 ( 2.147 8.530 0.000) 8.796 29.463 ( 1.065 0.148 0.000) 1.075 29.509 ( -0.834 -0.506 0.000) 0.976 29.738 ( -0.967 -5.034 0.000) 5.126 30.082 ( 0.166 7.913 0.000) 7.914 30.385 ( 2.550 3.751 0.000) 4.535 30.934 ( -8.601 18.765 0.000) 20.643 31.418 ( -55.041 20.258 0.000) 58.650 33.152 ( -0.725 5.634 0.000) 5.680 33.348 ( -1.121 1.247 0.000) 1.677 33.631 ( -1.805 -5.868 0.000) 6.139 33.662 ( -1.609 -6.772 0.000) 6.960 34.721 ( 12.773 2.047 0.000) 12.936 35.346 ( 48.532 -26.333 0.000) 55.216 35.867 ( -7.175 6.490 0.000) 9.675 36.490 ( 0.480 -10.757 0.000) 10.767 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 28.869 11.373 0.000) 31.028 2.399 ( 4.686 9.062 0.000) 10.202 2.412 ( 2.018 11.480 0.000) 11.656 2.537 ( 6.856 -1.422 0.000) 7.002 2.771 ( 22.786 23.134 0.000) 32.472 2.797 ( 21.341 2.855 0.000) 21.531 2.993 ( -7.048 5.054 0.000) 8.673 3.041 ( -12.460 5.226 0.000) 13.512 3.348 ( 16.632 1.566 0.000) 16.706 3.399 ( 34.722 4.554 0.000) 35.019 3.402 ( 6.005 1.450 0.000) 6.178 3.551 ( 22.093 3.980 0.000) 22.448 3.745 ( -1.742 22.857 0.000) 22.923 3.856 ( 21.917 -0.594 0.000) 21.925 4.032 ( -1.240 10.409 0.000) 10.483 4.405 ( -17.961 0.733 0.000) 17.976 4.502 ( 4.227 -6.425 0.000) 7.691 4.827 ( -3.550 2.118 0.000) 4.134 4.923 ( 2.323 13.826 0.000) 14.020 4.963 ( -0.665 0.406 0.000) 0.779 5.109 ( -10.984 7.853 0.000) 13.503 5.218 ( -15.874 3.448 0.000) 16.244 5.228 ( 1.177 -0.930 0.000) 1.500 5.434 ( -3.302 3.376 0.000) 4.722 5.842 ( -3.291 27.753 0.000) 27.948 5.998 ( 6.691 8.848 0.000) 11.093 6.092 ( 15.453 -1.343 0.000) 15.511 6.213 ( -22.273 7.198 0.000) 23.407 6.325 ( 7.333 7.689 0.000) 10.625 6.428 ( -24.506 6.841 0.000) 25.443 6.667 ( -5.976 3.861 0.000) 7.114 6.813 ( -10.203 -1.363 0.000) 10.293 6.922 ( 1.320 2.069 0.000) 2.454 6.936 ( 2.052 0.199 0.000) 2.062 7.042 ( 8.312 -3.767 0.000) 9.126 7.248 ( -1.801 -2.431 0.000) 3.025 7.712 ( 0.143 -9.489 0.000) 9.490 7.720 ( -0.054 -8.119 0.000) 8.119 7.862 ( -2.765 1.555 0.000) 3.173 7.869 ( -2.417 -3.608 0.000) 4.343 7.989 ( 2.422 -2.412 0.000) 3.418 8.144 ( -5.896 -0.784 0.000) 5.948 8.299 ( -7.462 -5.513 0.000) 9.278 8.328 ( -14.549 -6.052 0.000) 15.757 11.726 ( 10.008 1.584 0.000) 10.132 11.875 ( 6.098 -0.888 0.000) 6.162 12.076 ( -6.946 1.262 0.000) 7.059 12.128 ( -5.423 -0.004 0.000) 5.423 12.142 ( 17.557 4.065 0.000) 18.022 12.878 ( -15.132 5.774 0.000) 16.197 13.030 ( 27.738 -30.821 0.000) 41.465 13.580 ( -4.217 -14.205 0.000) 14.817 14.150 ( 2.502 2.141 0.000) 3.293 14.263 ( -2.883 2.567 0.000) 3.860 14.341 ( 1.746 -3.324 0.000) 3.755 14.489 ( -4.765 -3.732 0.000) 6.053 17.139 ( 0.621 3.654 0.000) 3.706 17.187 ( -2.034 5.313 0.000) 5.689 17.444 ( 1.480 -4.334 0.000) 4.580 17.523 ( -2.044 -3.965 0.000) 4.461 17.879 ( 4.516 -0.447 0.000) 4.538 17.912 ( 5.844 -3.015 0.000) 6.576 18.059 ( -3.770 0.224 0.000) 3.776 18.124 ( -3.948 -2.004 0.000) 4.427 18.920 ( 1.363 1.473 0.000) 2.007 19.005 ( 0.027 -0.110 0.000) 0.114 19.025 ( -2.361 0.682 0.000) 2.458 19.038 ( -1.968 -0.061 0.000) 1.969 29.354 ( 4.020 7.532 0.000) 8.537 29.483 ( -1.741 0.406 0.000) 1.788 29.499 ( 2.628 1.241 0.000) 2.906 29.692 ( -4.044 -2.559 0.000) 4.786 30.096 ( 1.509 10.417 0.000) 10.526 30.464 ( 5.354 5.055 0.000) 7.363 30.503 ( -27.094 28.733 0.000) 39.493 30.795 ( -11.272 13.554 0.000) 17.628 33.189 ( 3.152 2.802 0.000) 4.217 33.314 ( -2.303 1.190 0.000) 2.592 33.595 ( -1.157 -6.471 0.000) 6.573 33.623 ( -2.018 -6.571 0.000) 6.874 35.035 ( 17.192 6.524 0.000) 18.389 35.666 ( -12.441 8.012 0.000) 14.797 36.068 ( 23.745 -28.577 0.000) 37.155 36.480 ( -2.085 -14.826 0.000) 14.972 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -20.867 6.004 0.000) 21.713 2.325 ( 20.867 6.004 0.000) 21.713 2.456 ( -3.893 17.207 0.000) 17.642 2.456 ( 3.893 17.207 0.000) 17.642 2.861 ( -3.889 5.394 0.000) 6.650 2.861 ( 3.889 5.394 0.000) 6.650 3.082 ( -1.772 4.300 0.000) 4.651 3.082 ( 1.772 4.300 0.000) 4.651 3.394 ( -6.876 3.615 0.000) 7.768 3.394 ( 6.876 3.615 0.000) 7.768 3.753 ( -14.375 -0.361 0.000) 14.380 3.753 ( 14.375 -0.361 0.000) 14.380 3.917 ( -16.551 15.609 0.000) 22.750 3.917 ( 16.551 15.609 0.000) 22.750 4.464 ( -24.608 0.323 0.000) 24.610 4.464 ( 24.608 0.323 0.000) 24.610 4.590 ( -24.230 2.382 0.000) 24.347 4.590 ( 24.230 2.382 0.000) 24.347 4.863 ( -16.103 -0.842 0.000) 16.125 4.863 ( 16.103 -0.842 0.000) 16.125 5.000 ( -1.678 10.389 0.000) 10.524 5.000 ( 1.678 10.389 0.000) 10.524 5.308 ( -7.160 -1.403 0.000) 7.296 5.308 ( 7.160 -1.403 0.000) 7.296 5.852 ( -9.109 17.288 0.000) 19.540 5.852 ( 9.109 17.288 0.000) 19.540 6.081 ( -7.256 14.983 0.000) 16.647 6.081 ( 7.256 14.983 0.000) 16.647 6.437 ( -16.468 2.390 0.000) 16.641 6.437 ( 16.468 2.390 0.000) 16.641 6.570 ( -12.840 0.258 0.000) 12.842 6.570 ( 12.840 0.258 0.000) 12.842 6.954 ( -0.506 1.047 0.000) 1.163 6.954 ( 0.506 1.047 0.000) 1.163 7.182 ( -5.131 -4.651 0.000) 6.926 7.182 ( 5.131 -4.651 0.000) 6.926 7.717 ( -0.250 -8.592 0.000) 8.596 7.717 ( 0.250 -8.592 0.000) 8.596 7.834 ( -0.392 -0.988 0.000) 1.062 7.834 ( 0.392 -0.988 0.000) 1.062 8.058 ( -3.786 -1.641 0.000) 4.126 8.058 ( 3.786 -1.641 0.000) 4.126 8.193 ( -0.532 -6.452 0.000) 6.474 8.193 ( 0.532 -6.452 0.000) 6.474 11.916 ( -8.840 1.611 0.000) 8.985 11.916 ( 8.840 1.611 0.000) 8.985 12.005 ( -6.556 -0.378 0.000) 6.566 12.005 ( 6.556 -0.378 0.000) 6.566 12.525 ( -19.254 5.607 0.000) 20.054 12.525 ( 19.254 5.607 0.000) 20.054 13.421 ( -12.502 -22.412 0.000) 25.663 13.421 ( 12.502 -22.412 0.000) 25.663 14.205 ( -2.840 2.126 0.000) 3.547 14.205 ( 2.840 2.126 0.000) 3.547 14.399 ( -3.896 -3.399 0.000) 5.170 14.399 ( 3.896 -3.399 0.000) 5.170 17.156 ( -1.083 4.409 0.000) 4.540 17.156 ( 1.083 4.409 0.000) 4.540 17.481 ( -2.083 -4.142 0.000) 4.636 17.481 ( 2.083 -4.142 0.000) 4.636 17.973 ( -4.647 -0.230 0.000) 4.652 17.973 ( 4.647 -0.230 0.000) 4.652 18.028 ( -5.455 -2.901 0.000) 6.178 18.028 ( 5.455 -2.901 0.000) 6.178 18.967 ( -2.987 0.257 0.000) 2.998 18.967 ( 2.987 0.257 0.000) 2.998 19.011 ( -0.719 0.169 0.000) 0.739 19.011 ( 0.719 0.169 0.000) 0.739 29.434 ( -3.332 3.226 0.000) 4.638 29.434 ( 3.332 3.226 0.000) 4.638 29.582 ( -5.710 2.399 0.000) 6.194 29.582 ( 5.710 2.399 0.000) 6.194 30.174 ( -7.791 17.983 0.000) 19.598 30.174 ( 7.791 17.983 0.000) 19.598 30.602 ( -8.282 7.952 0.000) 11.482 30.602 ( 8.282 7.952 0.000) 11.482 33.257 ( -3.300 1.589 0.000) 3.663 33.257 ( 3.300 1.589 0.000) 3.663 33.592 ( -0.821 -6.509 0.000) 6.560 33.592 ( 0.821 -6.509 0.000) 6.560 35.376 ( -16.097 8.506 0.000) 18.206 35.376 ( 16.097 8.506 0.000) 18.206 36.378 ( -8.926 -21.166 0.000) 22.971 36.378 ( 8.926 -21.166 0.000) 22.971 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 15.979 0.000) 15.979 1.479 ( 0.000 -12.770 0.000) 12.770 1.502 ( 0.000 20.009 0.000) 20.009 1.824 ( 0.000 -10.190 0.000) 10.190 2.477 ( 0.000 2.623 0.000) 2.623 2.518 ( 0.000 -1.393 0.000) 1.393 2.718 ( 0.000 0.815 0.000) 0.815 2.731 ( 0.000 0.710 0.000) 0.710 3.248 ( 0.000 2.864 0.000) 2.864 3.296 ( 0.000 -0.500 0.000) 0.500 3.574 ( 0.000 3.177 0.000) 3.177 3.592 ( 0.000 -0.358 0.000) 0.358 3.882 ( 0.000 26.419 0.000) 26.419 4.200 ( 0.000 -3.655 0.000) 3.655 4.231 ( 0.000 2.828 0.000) 2.828 4.264 ( 0.000 -0.894 0.000) 0.894 4.874 ( 0.000 -2.688 0.000) 2.688 4.883 ( 0.000 -3.760 0.000) 3.760 5.067 ( 0.000 1.008 0.000) 1.008 5.091 ( 0.000 -1.312 0.000) 1.312 5.206 ( 0.000 17.733 0.000) 17.733 5.386 ( 0.000 2.030 0.000) 2.030 5.531 ( 0.000 7.562 0.000) 7.562 5.561 ( 0.000 1.768 0.000) 1.768 5.581 ( 0.000 -0.223 0.000) 0.223 5.667 ( 0.000 -5.520 0.000) 5.520 6.681 ( 0.000 12.274 0.000) 12.274 6.734 ( 0.000 12.860 0.000) 12.860 6.759 ( 0.000 1.771 0.000) 1.771 6.759 ( 0.000 2.462 0.000) 2.462 6.823 ( 0.000 4.202 0.000) 4.202 6.847 ( 0.000 -1.290 0.000) 1.290 6.944 ( 0.000 3.296 0.000) 3.296 7.014 ( 0.000 -3.874 0.000) 3.874 7.087 ( 0.000 5.726 0.000) 5.726 7.257 ( 0.000 -7.088 0.000) 7.088 7.598 ( 0.000 3.499 0.000) 3.499 7.676 ( 0.000 9.374 0.000) 9.374 7.773 ( 0.000 -9.770 0.000) 9.770 7.888 ( 0.000 -4.833 0.000) 4.833 8.034 ( 0.000 8.632 0.000) 8.632 8.381 ( 0.000 -0.278 0.000) 0.278 8.398 ( 0.000 -1.817 0.000) 1.817 8.546 ( 0.000 -38.103 0.000) 38.103 11.415 ( 0.000 0.266 0.000) 0.266 11.444 ( 0.000 -2.416 0.000) 2.416 11.833 ( 0.000 1.672 0.000) 1.672 11.851 ( 0.000 -0.061 0.000) 0.061 12.249 ( 0.000 0.430 0.000) 0.430 12.249 ( 0.000 0.364 0.000) 0.364 13.318 ( 0.000 6.247 0.000) 6.247 13.464 ( 0.000 -7.628 0.000) 7.628 14.154 ( 0.000 3.734 0.000) 3.734 14.239 ( 0.000 -4.309 0.000) 4.309 14.417 ( 0.000 4.404 0.000) 4.404 14.514 ( 0.000 -4.843 0.000) 4.843 17.209 ( 0.000 4.716 0.000) 4.716 17.313 ( 0.000 -5.184 0.000) 5.184 17.370 ( 0.000 5.369 0.000) 5.369 17.479 ( 0.000 -5.041 0.000) 5.041 17.758 ( 0.000 0.338 0.000) 0.338 17.766 ( 0.000 -0.372 0.000) 0.372 18.161 ( 0.000 1.040 0.000) 1.040 18.183 ( 0.000 -1.061 0.000) 1.061 18.988 ( 0.000 1.238 0.000) 1.238 18.997 ( 0.000 0.280 0.000) 0.280 19.098 ( 0.000 0.519 0.000) 0.519 19.099 ( 0.000 0.376 0.000) 0.376 29.407 ( 0.000 4.349 0.000) 4.349 29.452 ( 0.000 -0.509 0.000) 0.509 29.543 ( 0.000 3.069 0.000) 3.069 29.632 ( 0.000 -5.279 0.000) 5.279 30.244 ( 0.000 7.672 0.000) 7.672 30.364 ( 0.000 -3.165 0.000) 3.165 31.470 ( 0.000 21.657 0.000) 21.657 31.896 ( 0.000 -19.226 0.000) 19.226 33.402 ( 0.000 6.396 0.000) 6.396 33.417 ( 0.000 4.319 0.000) 4.319 33.525 ( 0.000 -5.488 0.000) 5.488 33.534 ( 0.000 -6.765 0.000) 6.765 34.544 ( 0.000 0.786 0.000) 0.786 34.563 ( 0.000 -0.980 0.000) 0.980 36.088 ( 0.000 8.370 0.000) 8.370 36.279 ( 0.000 -9.884 0.000) 9.884 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.653 ( 14.615 18.521 0.000) 23.593 1.895 ( 51.234 8.104 0.000) 51.871 1.984 ( 14.236 -12.598 0.000) 19.010 2.061 ( 40.874 -7.879 0.000) 41.627 2.571 ( 11.704 3.657 0.000) 12.262 2.625 ( 14.822 -1.597 0.000) 14.907 2.767 ( 7.468 8.638 0.000) 11.418 2.919 ( 13.193 -5.515 0.000) 14.299 3.217 ( -1.927 4.800 0.000) 5.172 3.304 ( 1.251 -2.726 0.000) 2.999 3.491 ( -7.810 4.817 0.000) 9.176 3.565 ( -4.047 -1.603 0.000) 4.353 3.904 ( 2.466 22.198 0.000) 22.335 4.176 ( -2.250 -3.300 0.000) 3.994 4.184 ( -2.555 8.436 0.000) 8.814 4.307 ( 2.527 -4.723 0.000) 5.357 4.705 ( -9.109 3.984 0.000) 9.943 4.848 ( -4.291 -8.254 0.000) 9.303 5.081 ( -1.543 4.767 0.000) 5.010 5.166 ( 2.560 -3.277 0.000) 4.159 5.215 ( 0.456 15.997 0.000) 16.004 5.365 ( -2.911 2.307 0.000) 3.714 5.508 ( -6.349 1.630 0.000) 6.555 5.533 ( -2.917 0.021 0.000) 2.917 5.687 ( 15.587 3.841 0.000) 16.054 5.766 ( 10.745 -3.567 0.000) 11.321 6.554 ( -9.594 15.478 0.000) 18.211 6.674 ( -6.247 9.114 0.000) 11.050 6.722 ( -7.919 6.049 0.000) 9.965 6.773 ( -2.326 1.144 0.000) 2.592 6.828 ( -4.612 1.151 0.000) 4.753 6.880 ( -11.694 -3.581 0.000) 12.230 6.885 ( 4.932 2.013 0.000) 5.327 6.895 ( 3.782 1.310 0.000) 4.002 7.073 ( -2.189 6.289 0.000) 6.659 7.237 ( -1.932 -6.474 0.000) 6.756 7.590 ( -0.633 2.584 0.000) 2.661 7.661 ( -1.361 7.929 0.000) 8.045 7.759 ( -1.188 -9.780 0.000) 9.852 7.890 ( 0.117 -5.782 0.000) 5.783 7.988 ( -3.806 5.826 0.000) 6.959 8.294 ( -7.271 0.974 0.000) 7.336 8.340 ( -16.081 -27.733 0.000) 32.058 8.341 ( -5.911 -3.480 0.000) 6.860 11.555 ( 11.662 3.103 0.000) 12.068 11.654 ( 12.891 -6.089 0.000) 14.257 11.929 ( 10.350 2.883 0.000) 10.744 12.010 ( 18.668 -6.236 0.000) 19.682 12.209 ( -3.727 0.807 0.000) 3.814 12.218 ( -3.271 -0.032 0.000) 3.271 13.247 ( -7.054 7.459 0.000) 10.266 13.425 ( -4.191 -9.506 0.000) 10.388 14.167 ( 1.254 3.413 0.000) 3.636 14.245 ( 0.631 -3.960 0.000) 4.010 14.390 ( -2.484 4.166 0.000) 4.850 14.483 ( -2.945 -4.626 0.000) 5.484 17.215 ( 0.587 4.818 0.000) 4.853 17.320 ( 0.734 -5.201 0.000) 5.252 17.350 ( -1.814 5.708 0.000) 5.990 17.464 ( -1.438 -5.179 0.000) 5.375 17.790 ( 3.013 0.049 0.000) 3.013 17.796 ( 2.849 -0.466 0.000) 2.887 18.136 ( -2.440 0.957 0.000) 2.621 18.159 ( -2.435 -1.199 0.000) 2.714 18.971 ( -1.035 2.073 0.000) 2.317 18.999 ( -0.181 -0.621 0.000) 0.647 19.081 ( -1.622 0.486 0.000) 1.693 19.082 ( -1.604 0.319 0.000) 1.636 29.422 ( 1.419 4.064 0.000) 4.305 29.466 ( 1.388 -0.507 0.000) 1.478 29.538 ( -0.472 3.168 0.000) 3.203 29.628 ( -0.497 -5.198 0.000) 5.222 30.262 ( 1.956 8.535 0.000) 8.757 30.393 ( 2.949 -3.290 0.000) 4.419 31.301 ( -15.101 15.775 0.000) 21.838 31.536 ( -29.436 -5.303 0.000) 29.910 33.309 ( -3.842 8.741 0.000) 9.548 33.404 ( -1.263 4.226 0.000) 4.410 33.486 ( -3.144 -8.027 0.000) 8.621 33.519 ( -1.419 -6.661 0.000) 6.810 34.795 ( 19.763 5.440 0.000) 20.498 34.968 ( 31.754 -12.119 0.000) 33.988 36.035 ( -5.248 9.639 0.000) 10.975 36.255 ( -2.553 -11.437 0.000) 11.718 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 22.671 14.044 0.000) 26.668 2.319 ( 17.183 -11.314 0.000) 20.573 2.488 ( 7.821 1.184 0.000) 7.910 2.510 ( 10.090 -1.096 0.000) 10.150 2.924 ( 5.453 7.083 0.000) 8.940 3.027 ( -4.128 -2.041 0.000) 4.605 3.094 ( 18.613 6.728 0.000) 19.792 3.137 ( -0.673 2.684 0.000) 2.767 3.364 ( 17.474 1.139 0.000) 17.511 3.399 ( 9.093 -1.581 0.000) 9.229 3.423 ( 15.656 2.617 0.000) 15.873 3.530 ( 18.474 -5.715 0.000) 19.338 4.030 ( 14.115 9.832 0.000) 17.202 4.140 ( 1.687 -0.694 0.000) 1.824 4.156 ( 0.341 14.197 0.000) 14.201 4.361 ( 2.961 -7.339 0.000) 7.914 4.520 ( -9.242 11.108 0.000) 14.450 4.743 ( -5.773 -8.448 0.000) 10.233 5.070 ( 2.561 6.652 0.000) 7.128 5.164 ( -9.237 7.953 0.000) 12.189 5.181 ( 1.368 -3.832 0.000) 4.069 5.232 ( -11.829 1.021 0.000) 11.873 5.332 ( -9.099 8.102 0.000) 12.183 5.450 ( -7.007 -2.308 0.000) 7.377 6.062 ( 18.177 0.684 0.000) 18.190 6.072 ( 16.700 -0.534 0.000) 16.708 6.359 ( -7.113 18.762 0.000) 20.066 6.396 ( -17.757 9.490 0.000) 20.134 6.515 ( -16.902 -0.313 0.000) 16.905 6.541 ( -4.950 4.418 0.000) 6.635 6.745 ( -5.170 2.337 0.000) 5.674 6.778 ( -6.920 -1.657 0.000) 7.116 6.965 ( 3.411 2.972 0.000) 4.524 7.002 ( 5.723 -0.762 0.000) 5.774 7.024 ( -1.220 7.681 0.000) 7.777 7.184 ( -3.249 -5.627 0.000) 6.497 7.581 ( -0.006 0.948 0.000) 0.948 7.627 ( -1.820 4.168 0.000) 4.548 7.738 ( -0.435 -9.418 0.000) 9.428 7.860 ( -4.599 -7.346 0.000) 8.667 7.943 ( 1.231 0.895 0.000) 1.522 8.072 ( -7.907 -13.419 0.000) 15.576 8.134 ( -7.586 0.476 0.000) 7.601 8.183 ( -8.831 -4.477 0.000) 9.900 11.778 ( 9.715 3.240 0.000) 10.241 11.841 ( 7.579 -2.482 0.000) 7.975 12.104 ( -6.473 1.280 0.000) 6.598 12.124 ( -5.892 -0.514 0.000) 5.915 12.261 ( 21.048 8.154 0.000) 22.572 12.521 ( 26.889 -18.120 0.000) 32.424 13.036 ( -13.924 9.738 0.000) 16.992 13.281 ( -10.425 -13.809 0.000) 17.302 14.203 ( 2.244 2.912 0.000) 3.676 14.269 ( 1.945 -3.471 0.000) 3.979 14.327 ( -3.554 3.555 0.000) 5.027 14.407 ( -4.241 -4.081 0.000) 5.886 17.233 ( 1.191 5.178 0.000) 5.314 17.306 ( -2.307 6.023 0.000) 6.450 17.343 ( 1.530 -5.291 0.000) 5.507 17.426 ( -2.201 -5.398 0.000) 5.829 17.871 ( 4.691 -0.220 0.000) 4.696 17.875 ( 4.986 -0.799 0.000) 5.050 18.067 ( -4.286 0.643 0.000) 4.334 18.088 ( -4.499 -1.402 0.000) 4.713 18.962 ( 0.354 2.155 0.000) 2.183 18.996 ( 0.108 -1.010 0.000) 1.016 19.036 ( -2.584 0.625 0.000) 2.659 19.044 ( -2.000 0.059 0.000) 2.001 29.458 ( 1.964 3.498 0.000) 4.012 29.508 ( 2.666 -1.050 0.000) 2.865 29.523 ( -1.057 3.326 0.000) 3.490 29.609 ( -1.527 -4.599 0.000) 4.846 30.336 ( 5.905 10.955 0.000) 12.445 30.489 ( 6.901 -3.165 0.000) 7.592 30.914 ( -23.260 11.376 0.000) 25.893 30.992 ( -19.502 3.684 0.000) 19.847 33.287 ( 0.898 6.586 0.000) 6.647 33.368 ( -2.146 4.198 0.000) 4.715 33.443 ( -0.862 -7.960 0.000) 8.007 33.483 ( -1.976 -6.574 0.000) 6.865 35.228 ( 21.275 12.427 0.000) 24.639 35.562 ( 24.963 -20.204 0.000) 32.115 35.877 ( -10.488 12.263 0.000) 16.136 36.163 ( -7.013 -15.115 0.000) 16.663 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -14.115 6.948 0.000) 15.733 2.462 ( 14.115 6.948 0.000) 15.733 2.570 ( -4.737 -2.076 0.000) 5.172 2.570 ( 4.737 -2.076 0.000) 5.172 2.954 ( -1.336 3.555 0.000) 3.798 2.954 ( 1.336 3.555 0.000) 3.798 3.033 ( -8.549 -4.497 0.000) 9.660 3.033 ( 8.549 -4.497 0.000) 9.660 3.574 ( -4.096 8.444 0.000) 9.385 3.574 ( 4.096 8.444 0.000) 9.385 3.702 ( -11.677 -4.262 0.000) 12.430 3.702 ( 11.677 -4.262 0.000) 12.430 4.220 ( -5.327 11.538 0.000) 12.708 4.220 ( 5.327 11.538 0.000) 12.708 4.390 ( -5.421 -5.772 0.000) 7.919 4.390 ( 5.421 -5.772 0.000) 7.919 4.722 ( -31.151 7.206 0.000) 31.974 4.722 ( 31.151 7.206 0.000) 31.974 4.827 ( -22.954 -2.935 0.000) 23.141 4.827 ( 22.954 -2.935 0.000) 23.141 5.183 ( -7.344 6.511 0.000) 9.815 5.183 ( 7.344 6.511 0.000) 9.815 5.271 ( -7.700 -2.537 0.000) 8.107 5.271 ( 7.700 -2.537 0.000) 8.107 6.187 ( -1.839 12.800 0.000) 12.931 6.187 ( 1.839 12.800 0.000) 12.931 6.293 ( -5.973 2.711 0.000) 6.559 6.293 ( 5.973 2.711 0.000) 6.559 6.515 ( -16.279 4.658 0.000) 16.932 6.515 ( 16.279 4.658 0.000) 16.932 6.592 ( -9.529 -0.094 0.000) 9.530 6.592 ( 9.529 -0.094 0.000) 9.530 7.012 ( -1.074 4.834 0.000) 4.952 7.012 ( 1.074 4.834 0.000) 4.952 7.106 ( -4.509 -3.451 0.000) 5.679 7.106 ( 4.509 -3.451 0.000) 5.679 7.594 ( -1.290 1.000 0.000) 1.632 7.594 ( 1.290 1.000 0.000) 1.632 7.763 ( -3.385 -8.591 0.000) 9.234 7.763 ( 3.385 -8.591 0.000) 9.234 8.018 ( -5.095 -1.766 0.000) 5.392 8.018 ( 5.095 -1.766 0.000) 5.392 8.033 ( -3.587 -5.050 0.000) 6.194 8.033 ( 3.587 -5.050 0.000) 6.194 11.956 ( -8.160 2.006 0.000) 8.403 11.956 ( 8.160 2.006 0.000) 8.403 11.990 ( -7.181 -1.167 0.000) 7.275 11.990 ( 7.181 -1.167 0.000) 7.275 12.690 ( -20.102 10.832 0.000) 22.835 12.690 ( 20.102 10.832 0.000) 22.835 12.989 ( -18.928 -18.226 0.000) 26.276 12.989 ( 18.928 -18.226 0.000) 26.276 14.257 ( -3.167 2.961 0.000) 4.336 14.257 ( 3.167 2.961 0.000) 4.336 14.325 ( -3.576 -3.544 0.000) 5.035 14.325 ( 3.576 -3.544 0.000) 5.035 17.263 ( -1.852 5.728 0.000) 6.020 17.263 ( 1.852 5.728 0.000) 6.020 17.381 ( -2.154 -5.421 0.000) 5.834 17.381 ( 2.154 -5.421 0.000) 5.834 17.971 ( -5.092 0.151 0.000) 5.094 17.971 ( 5.092 0.151 0.000) 5.094 17.984 ( -5.560 -1.306 0.000) 5.711 17.984 ( 5.560 -1.306 0.000) 5.711 18.987 ( -2.048 1.370 0.000) 2.464 18.987 ( 2.048 1.370 0.000) 2.464 19.009 ( -1.261 -0.584 0.000) 1.389 19.009 ( 1.261 -0.584 0.000) 1.389 29.495 ( -1.663 3.347 0.000) 3.737 29.495 ( 1.663 3.347 0.000) 3.737 29.565 ( -2.737 -2.900 0.000) 3.987 29.565 ( 2.737 -2.900 0.000) 3.987 30.528 ( -13.949 13.375 0.000) 19.325 30.528 ( 13.949 13.375 0.000) 19.325 30.680 ( -12.318 -1.306 0.000) 12.387 30.680 ( 12.318 -1.306 0.000) 12.387 33.322 ( -2.273 4.835 0.000) 5.342 33.322 ( 2.273 4.835 0.000) 5.342 33.448 ( -1.211 -6.989 0.000) 7.093 33.448 ( 1.211 -6.989 0.000) 7.093 35.609 ( -16.225 14.053 0.000) 21.465 35.609 ( 16.225 14.053 0.000) 21.465 35.954 ( -14.392 -19.107 0.000) 23.921 35.954 ( 14.392 -19.107 0.000) 23.921 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 0.000 25.143) 25.143 0.695 ( 0.000 0.000 37.804) 37.804 1.328 ( 0.000 0.000 61.279) 61.279 1.393 ( 0.000 0.000 -9.323) 9.323 2.076 ( 0.000 0.000 4.564) 4.564 2.151 ( 0.000 0.000 23.335) 23.335 2.308 ( 0.000 0.000 -6.048) 6.048 2.334 ( 0.000 0.000 14.087) 14.087 2.655 ( 0.000 0.000 8.617) 8.617 3.154 ( 0.000 0.000 10.983) 10.983 3.241 ( 0.000 0.000 8.771) 8.771 3.470 ( 0.000 0.000 -14.412) 14.412 3.681 ( 0.000 0.000 2.594) 2.594 3.752 ( 0.000 0.000 13.094) 13.094 3.782 ( 0.000 0.000 -5.746) 5.746 4.202 ( 0.000 0.000 15.769) 15.769 4.716 ( 0.000 0.000 -10.016) 10.016 4.880 ( 0.000 0.000 -14.381) 14.381 4.954 ( 0.000 0.000 -6.670) 6.670 4.955 ( 0.000 0.000 -5.169) 5.169 4.956 ( 0.000 0.000 -8.985) 8.985 5.179 ( 0.000 0.000 2.187) 2.187 5.303 ( 0.000 0.000 7.422) 7.422 5.423 ( 0.000 0.000 9.569) 9.569 5.522 ( 0.000 0.000 5.684) 5.684 5.523 ( 0.000 0.000 8.861) 8.861 5.683 ( 0.000 0.000 -1.354) 1.354 5.895 ( 0.000 0.000 4.178) 4.178 6.407 ( 0.000 0.000 -7.879) 7.879 6.619 ( 0.000 0.000 0.303) 0.303 6.765 ( 0.000 0.000 3.865) 3.865 6.797 ( 0.000 0.000 -9.469) 9.469 7.167 ( 0.000 0.000 7.652) 7.652 7.222 ( 0.000 0.000 2.566) 2.566 7.253 ( 0.000 0.000 -3.726) 3.726 7.884 ( 0.000 0.000 -3.103) 3.103 7.886 ( 0.000 0.000 -8.560) 8.560 7.890 ( 0.000 0.000 -1.159) 1.159 7.925 ( 0.000 0.000 -1.255) 1.255 7.955 ( 0.000 0.000 0.860) 0.860 7.979 ( 0.000 0.000 0.634) 0.634 8.414 ( 0.000 0.000 -0.753) 0.753 8.476 ( 0.000 0.000 -1.185) 1.185 10.072 ( 0.000 0.000 -11.814) 11.814 11.526 ( 0.000 0.000 0.712) 0.712 11.648 ( 0.000 0.000 0.422) 0.422 11.675 ( 0.000 0.000 0.347) 0.347 11.744 ( 0.000 0.000 -1.222) 1.222 12.218 ( 0.000 0.000 0.224) 0.224 12.229 ( 0.000 0.000 0.261) 0.261 13.268 ( 0.000 0.000 3.128) 3.128 13.690 ( 0.000 0.000 -4.578) 4.578 14.085 ( 0.000 0.000 1.480) 1.480 14.274 ( 0.000 0.000 0.789) 0.789 14.506 ( 0.000 0.000 -0.973) 0.973 14.710 ( 0.000 0.000 0.008) 0.008 17.071 ( 0.000 0.000 2.507) 2.507 17.083 ( 0.000 0.000 1.976) 1.976 17.505 ( 0.000 0.000 -1.848) 1.848 17.633 ( 0.000 0.000 -2.255) 2.255 17.723 ( 0.000 0.000 -1.392) 1.392 17.761 ( 0.000 0.000 -1.873) 1.873 18.141 ( 0.000 0.000 1.544) 1.544 18.226 ( 0.000 0.000 -0.320) 0.320 18.900 ( 0.000 0.000 2.189) 2.189 18.954 ( 0.000 0.000 -0.272) 0.272 19.067 ( 0.000 0.000 1.547) 1.547 19.367 ( 0.000 0.000 -1.538) 1.538 28.996 ( 0.000 0.000 1.632) 1.632 29.022 ( 0.000 0.000 0.959) 0.959 29.622 ( 0.000 0.000 -1.812) 1.812 29.630 ( 0.000 0.000 0.816) 0.816 29.890 ( 0.000 0.000 1.355) 1.355 29.906 ( 0.000 0.000 -1.063) 1.063 30.175 ( 0.000 0.000 -0.508) 0.508 30.430 ( 0.000 0.000 -2.493) 2.493 33.046 ( 0.000 0.000 -0.339) 0.339 33.435 ( 0.000 0.000 -14.686) 14.686 34.186 ( 0.000 0.000 19.081) 19.081 34.577 ( 0.000 0.000 6.120) 6.120 34.632 ( 0.000 0.000 2.554) 2.554 35.637 ( 0.000 0.000 -2.440) 2.440 36.569 ( 0.000 0.000 -2.665) 2.665 36.657 ( 0.000 0.000 -4.555) 4.555 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 0.645 ( 8.783 0.000 21.774) 23.479 1.351 ( 32.597 0.000 33.592) 46.808 1.434 ( -1.046 0.000 -5.839) 5.932 1.925 ( 58.062 0.000 35.178) 67.887 2.172 ( 13.352 0.000 2.711) 13.624 2.360 ( 9.194 0.000 6.464) 11.239 2.498 ( 8.892 0.000 1.770) 9.067 2.594 ( 38.878 0.000 9.153) 39.941 2.719 ( 6.435 0.000 6.135) 8.891 3.194 ( 0.925 0.000 8.763) 8.812 3.234 ( -0.996 0.000 6.434) 6.510 3.391 ( -6.083 0.000 -9.431) 11.223 3.604 ( -0.583 0.000 16.809) 16.820 3.748 ( -2.357 0.000 -0.866) 2.511 3.958 ( 11.446 0.000 3.724) 12.037 4.306 ( 8.654 0.000 9.747) 13.034 4.630 ( -8.301 0.000 -11.332) 14.046 4.727 ( -5.356 0.000 -8.864) 10.356 4.815 ( -10.267 0.000 -3.527) 10.856 4.919 ( -0.066 0.000 -13.037) 13.037 5.110 ( -5.613 0.000 0.597) 5.645 5.207 ( -1.161 0.000 -5.867) 5.981 5.310 ( 0.530 0.000 7.522) 7.541 5.426 ( -4.694 0.000 5.609) 7.314 5.516 ( -0.778 0.000 5.358) 5.414 5.646 ( -4.965 0.000 -2.595) 5.603 5.671 ( 16.701 0.000 2.019) 16.822 5.917 ( 7.523 0.000 2.144) 7.823 6.422 ( -0.267 0.000 -7.874) 7.879 6.597 ( -3.660 0.000 -1.356) 3.903 6.648 ( -9.273 0.000 -11.367) 14.670 6.861 ( 1.835 0.000 4.116) 4.506 7.062 ( -10.427 0.000 3.222) 10.914 7.088 ( -5.740 0.000 9.576) 11.165 7.292 ( 0.984 0.000 0.385) 1.057 7.834 ( -3.855 0.000 -3.072) 4.929 7.889 ( 0.008 0.000 -1.070) 1.070 7.903 ( -1.006 0.000 -7.407) 7.475 7.921 ( -0.396 0.000 -1.205) 1.268 7.958 ( 0.294 0.000 0.803) 0.855 7.979 ( -0.026 0.000 0.572) 0.572 8.206 ( -32.495 0.000 18.721) 37.502 8.336 ( -6.827 0.000 2.181) 7.167 8.677 ( -28.530 0.000 27.684) 39.754 11.578 ( 5.006 0.000 0.569) 5.039 11.779 ( 3.371 0.000 -1.255) 3.597 11.783 ( 10.402 0.000 0.641) 10.422 12.173 ( -4.073 0.000 0.465) 4.099 12.206 ( -2.540 0.000 0.149) 2.545 12.877 ( 18.956 0.000 -24.342) 30.852 13.357 ( 19.015 0.000 -27.327) 33.292 13.738 ( 3.833 0.000 -6.607) 7.638 14.105 ( 1.990 0.000 0.958) 2.208 14.246 ( -2.358 0.000 0.981) 2.554 14.468 ( -2.788 0.000 0.224) 2.797 14.674 ( -3.457 0.000 -0.081) 3.458 17.074 ( 0.288 0.000 2.439) 2.456 17.086 ( 0.198 0.000 1.976) 1.986 17.510 ( 0.494 0.000 -1.841) 1.906 17.621 ( -1.098 0.000 -2.202) 2.460 17.779 ( 3.025 0.000 -2.740) 4.082 17.873 ( 7.828 0.000 -5.803) 9.745 18.129 ( -1.126 0.000 1.231) 1.668 18.218 ( -0.886 0.000 -0.017) 0.887 18.913 ( 1.311 0.000 1.754) 2.190 18.977 ( 1.176 0.000 -1.638) 2.017 19.065 ( 0.101 0.000 2.127) 2.129 19.281 ( -5.631 0.000 4.924) 7.481 28.998 ( 0.238 0.000 1.573) 1.591 29.021 ( -0.095 0.000 0.995) 1.000 29.561 ( -2.777 0.000 2.478) 3.722 29.622 ( -1.083 0.000 0.480) 1.184 29.890 ( 0.193 0.000 0.595) 0.625 29.910 ( 0.241 0.000 -0.736) 0.775 30.187 ( 1.239 0.000 -0.602) 1.378 30.408 ( -2.102 0.000 -2.318) 3.129 33.076 ( 2.800 0.000 -0.242) 2.810 33.409 ( -3.157 0.000 -9.851) 10.344 33.900 ( -19.397 0.000 22.455) 29.672 34.175 ( -7.484 0.000 21.641) 22.898 34.764 ( 7.819 0.000 6.324) 10.056 35.657 ( -5.282 0.000 -6.362) 8.269 36.695 ( 4.146 0.000 -5.300) 6.729 36.847 ( 10.463 0.000 -14.560) 17.930 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 0.860 ( 11.742 0.000 16.634) 20.360 1.310 ( -9.466 0.000 3.759) 10.185 1.944 ( 28.762 0.000 32.574) 43.455 2.463 ( 13.306 0.000 -0.754) 13.328 2.635 ( 5.455 0.000 3.140) 6.294 2.693 ( 13.721 0.000 1.090) 13.764 2.869 ( 7.485 0.000 0.912) 7.540 2.968 ( -12.268 0.000 9.257) 15.369 3.146 ( -1.071 0.000 -1.506) 1.848 3.196 ( 50.182 0.000 10.430) 51.255 3.368 ( 28.199 0.000 4.765) 28.599 3.415 ( 9.317 0.000 5.629) 10.885 3.687 ( -4.472 0.000 3.491) 5.673 3.814 ( 14.535 0.000 15.210) 21.038 4.201 ( 22.001 0.000 7.712) 23.314 4.278 ( -25.011 0.000 -4.249) 25.370 4.502 ( 9.118 0.000 2.526) 9.462 4.703 ( 0.466 0.000 -7.233) 7.248 4.764 ( 6.108 0.000 -9.528) 11.317 4.846 ( -7.094 0.000 -12.009) 13.948 4.971 ( -8.089 0.000 -1.283) 8.190 5.034 ( -12.564 0.000 4.093) 13.214 5.249 ( -12.719 0.000 8.057) 15.056 5.346 ( 3.206 0.000 6.541) 7.285 5.485 ( -2.382 0.000 4.940) 5.484 5.495 ( -2.343 0.000 -1.622) 2.850 5.928 ( -7.253 0.000 -5.367) 9.023 6.053 ( 5.013 0.000 -8.036) 9.472 6.193 ( -25.722 0.000 -6.421) 26.512 6.421 ( 0.899 0.000 1.396) 1.661 6.564 ( -1.332 0.000 -0.931) 1.625 6.829 ( -4.252 0.000 7.568) 8.681 6.953 ( 2.370 0.000 2.569) 3.495 7.057 ( 0.624 0.000 6.563) 6.593 7.313 ( 1.770 0.000 1.676) 2.438 7.579 ( -14.019 0.000 17.651) 22.541 7.859 ( 0.619 0.000 -7.816) 7.840 7.892 ( 0.250 0.000 -0.964) 0.996 7.911 ( -0.564 0.000 -1.077) 1.216 7.965 ( 0.376 0.000 0.668) 0.767 7.967 ( -1.123 0.000 -5.549) 5.661 7.977 ( -0.159 0.000 0.507) 0.532 8.200 ( -4.716 0.000 3.507) 5.877 8.400 ( -10.330 0.000 1.750) 10.477 11.713 ( 7.969 0.000 0.146) 7.970 11.869 ( 5.032 0.000 -1.623) 5.287 12.064 ( -6.315 0.000 1.140) 6.417 12.069 ( 17.231 0.000 1.391) 17.287 12.129 ( -4.959 0.000 0.176) 4.962 12.778 ( -14.203 0.000 1.321) 14.264 13.699 ( 9.701 0.000 -28.766) 30.358 13.805 ( 2.133 0.000 -12.339) 12.522 14.155 ( 2.290 0.000 0.302) 2.310 14.201 ( -1.627 0.000 1.071) 1.948 14.431 ( -0.119 0.000 0.074) 0.140 14.581 ( -5.358 0.000 -0.304) 5.366 17.082 ( 0.391 0.000 2.276) 2.309 17.089 ( 0.093 0.000 2.003) 2.005 17.526 ( 1.143 0.000 -1.852) 2.176 17.592 ( -1.746 0.000 -2.070) 2.708 17.854 ( 4.244 0.000 -2.638) 4.997 17.969 ( 1.354 0.000 -3.954) 4.180 18.111 ( 0.174 0.000 1.007) 1.022 18.190 ( -1.835 0.000 0.609) 1.933 18.942 ( 1.278 0.000 0.204) 1.294 18.979 ( -0.707 0.000 -1.352) 1.526 19.085 ( 1.786 0.000 3.695) 4.104 19.189 ( -3.555 0.000 6.381) 7.305 29.005 ( 0.366 0.000 1.425) 1.472 29.018 ( -0.222 0.000 1.097) 1.119 29.540 ( 0.298 0.000 1.854) 1.878 29.593 ( -1.669 0.000 0.831) 1.865 29.898 ( 0.473 0.000 -0.308) 0.564 29.912 ( -0.058 0.000 -0.691) 0.694 30.224 ( 2.437 0.000 -0.885) 2.593 30.351 ( -3.299 0.000 -1.872) 3.794 33.147 ( 3.956 0.000 -0.447) 3.981 33.318 ( -4.839 0.000 -1.854) 5.182 33.767 ( 1.785 0.000 9.639) 9.803 34.024 ( -7.935 0.000 15.688) 17.581 34.965 ( 11.793 0.000 4.405) 12.589 35.475 ( -11.587 0.000 -2.856) 11.934 36.791 ( 4.975 0.000 -5.293) 7.264 36.929 ( -0.308 0.000 -9.157) 9.162 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -11.420 0.000 11.115) 15.936 1.096 ( 11.420 0.000 11.115) 15.936 2.511 ( -26.896 0.000 21.666) 34.537 2.511 ( 26.896 0.000 21.666) 34.537 2.721 ( -4.622 0.000 2.566) 5.287 2.721 ( 4.622 0.000 2.566) 5.287 2.747 ( -8.740 0.000 -4.148) 9.675 2.747 ( 8.740 0.000 -4.148) 9.675 3.494 ( -16.549 0.000 5.444) 17.422 3.494 ( 16.549 0.000 5.444) 17.422 3.672 ( -10.482 0.000 4.299) 11.329 3.672 ( 10.482 0.000 4.299) 11.329 3.733 ( -23.475 0.000 1.144) 23.503 3.733 ( 23.475 0.000 1.144) 23.503 4.368 ( -40.006 0.000 4.446) 40.252 4.368 ( 40.006 0.000 4.446) 40.252 4.678 ( -8.627 0.000 -7.529) 11.450 4.678 ( 8.627 0.000 -7.529) 11.450 4.801 ( -8.013 0.000 -3.328) 8.677 4.801 ( 8.013 0.000 -3.328) 8.677 4.814 ( -24.414 0.000 9.214) 26.094 4.814 ( 24.414 0.000 9.214) 26.094 5.362 ( -30.090 0.000 -4.793) 30.469 5.362 ( 30.090 0.000 -4.793) 30.469 5.421 ( -3.760 0.000 5.155) 6.380 5.421 ( 3.760 0.000 5.155) 6.380 5.667 ( -13.946 0.000 -3.635) 14.412 5.667 ( 13.946 0.000 -3.635) 14.412 6.312 ( -11.143 0.000 -5.766) 12.547 6.312 ( 11.143 0.000 -5.766) 12.547 6.691 ( -9.036 0.000 8.372) 12.319 6.691 ( 9.036 0.000 8.372) 12.319 7.038 ( -3.228 0.000 4.794) 5.779 7.038 ( 3.228 0.000 4.794) 5.779 7.387 ( -6.061 0.000 6.520) 8.902 7.387 ( 6.061 0.000 6.520) 8.902 7.899 ( -0.494 0.000 -0.973) 1.091 7.899 ( 0.494 0.000 -0.973) 1.091 7.911 ( -3.892 0.000 -7.070) 8.071 7.911 ( 3.892 0.000 -7.070) 8.071 7.972 ( -0.309 0.000 0.547) 0.628 7.972 ( 0.309 0.000 0.547) 0.628 8.219 ( -6.390 0.000 -0.290) 6.397 8.219 ( 6.390 0.000 -0.290) 6.397 11.875 ( -6.995 0.000 -1.107) 7.082 11.875 ( 6.995 0.000 -1.107) 7.082 12.022 ( -4.686 0.000 1.004) 4.792 12.022 ( 4.686 0.000 1.004) 4.792 12.439 ( -18.569 0.000 2.101) 18.687 12.439 ( 18.569 0.000 2.101) 18.687 13.806 ( -2.209 0.000 -18.206) 18.339 13.806 ( 2.209 0.000 -18.206) 18.339 14.181 ( -0.716 0.000 1.049) 1.270 14.181 ( 0.716 0.000 1.049) 1.270 14.477 ( -4.378 0.000 -0.635) 4.423 14.477 ( 4.378 0.000 -0.635) 4.423 17.088 ( -0.215 0.000 2.105) 2.116 17.088 ( 0.215 0.000 2.105) 2.116 17.556 ( -1.708 0.000 -1.930) 2.577 17.556 ( 1.708 0.000 -1.930) 2.577 17.937 ( -3.575 0.000 -2.816) 4.551 17.937 ( 3.575 0.000 -2.816) 4.551 18.145 ( -2.476 0.000 0.939) 2.648 18.145 ( 2.476 0.000 0.939) 2.648 18.962 ( -0.862 0.000 -0.897) 1.244 18.962 ( 0.862 0.000 -0.897) 1.244 19.129 ( -2.554 0.000 5.509) 6.072 19.129 ( 2.554 0.000 5.509) 6.072 29.012 ( -0.342 0.000 1.249) 1.295 29.012 ( 0.342 0.000 1.249) 1.295 29.560 ( -1.479 0.000 1.212) 1.912 29.560 ( 1.479 0.000 1.212) 1.912 29.907 ( -0.411 0.000 -0.711) 0.821 29.907 ( 0.411 0.000 -0.711) 0.821 30.283 ( -3.298 0.000 -1.338) 3.559 30.283 ( 3.298 0.000 -1.338) 3.559 33.229 ( -4.149 0.000 -0.878) 4.241 33.229 ( 4.149 0.000 -0.878) 4.241 33.868 ( -7.072 0.000 10.400) 12.577 33.868 ( 7.072 0.000 10.400) 12.577 35.221 ( -13.145 0.000 0.885) 13.175 35.221 ( 13.145 0.000 0.885) 13.175 36.882 ( -3.790 0.000 -6.245) 7.306 36.882 ( 3.790 0.000 -6.245) 7.306 ======================= Grid point 56 (21/80) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 10.084 31.576) 33.147 1.188 ( 0.000 16.997 39.442) 42.948 1.691 ( 0.000 15.672 -5.350) 16.560 1.706 ( 0.000 41.411 15.395) 44.180 2.104 ( 0.000 0.571 15.949) 15.959 2.253 ( 0.000 14.139 3.044) 14.463 2.483 ( 0.000 15.155 8.071) 17.170 2.549 ( 0.000 21.571 14.915) 26.225 2.692 ( 0.000 3.107 9.202) 9.713 3.124 ( 0.000 -1.654 9.687) 9.827 3.257 ( 0.000 0.852 8.316) 8.359 3.591 ( 0.000 10.302 -12.643) 16.308 3.629 ( 0.000 -2.049 -1.827) 2.745 3.734 ( 0.000 -1.432 9.931) 10.034 3.986 ( 0.000 14.257 -1.689) 14.356 4.213 ( 0.000 1.253 12.374) 12.437 4.741 ( 0.000 3.085 -5.514) 6.318 4.895 ( 0.000 1.225 -12.960) 13.018 4.952 ( 0.000 0.534 -7.280) 7.300 4.960 ( 0.000 1.167 -7.079) 7.175 5.038 ( 0.000 4.167 -3.483) 5.431 5.202 ( 0.000 0.869 1.846) 2.041 5.252 ( 0.000 -0.240 6.812) 6.816 5.487 ( 0.000 4.363 7.560) 8.729 5.543 ( 0.000 1.207 0.679) 1.385 5.652 ( 0.000 12.763 7.018) 14.565 5.722 ( 0.000 2.105 -4.458) 4.930 5.993 ( 0.000 8.570 -2.270) 8.865 6.440 ( 0.000 3.097 -7.978) 8.558 6.643 ( 0.000 2.187 -0.185) 2.195 6.785 ( 0.000 1.979 4.653) 5.056 6.792 ( 0.000 -0.418 -9.206) 9.216 7.158 ( 0.000 -1.435 5.903) 6.075 7.212 ( 0.000 -2.554 -1.158) 2.804 7.225 ( 0.000 -0.342 4.189) 4.203 7.461 ( 0.000 -22.033 18.612) 28.842 7.865 ( 0.000 -3.763 0.692) 3.826 7.866 ( 0.000 -3.818 -6.282) 7.352 7.878 ( 0.000 0.150 -3.648) 3.651 7.909 ( 0.000 -3.319 -2.194) 3.979 7.963 ( 0.000 0.638 0.089) 0.644 8.431 ( 0.000 -0.320 -0.562) 0.647 8.466 ( 0.000 -1.050 -1.018) 1.463 9.953 ( 0.000 -15.549 -1.792) 15.652 11.487 ( 0.000 -2.781 0.478) 2.822 11.593 ( 0.000 -3.986 0.004) 3.986 11.720 ( 0.000 3.336 0.386) 3.358 11.786 ( 0.000 2.711 -0.661) 2.790 12.223 ( 0.000 0.435 0.141) 0.457 12.231 ( 0.000 0.199 0.172) 0.263 13.226 ( 0.000 -0.820 6.216) 6.270 13.673 ( 0.000 -1.906 -3.801) 4.252 14.078 ( 0.000 -0.352 1.077) 1.133 14.255 ( 0.000 -0.556 -0.683) 0.880 14.449 ( 0.000 -2.890 2.585) 3.878 14.683 ( 0.000 -2.488 0.003) 2.488 17.096 ( 0.000 1.239 1.751) 2.145 17.136 ( 0.000 3.897 -1.666) 4.238 17.510 ( 0.000 -1.005 -0.921) 1.363 17.610 ( 0.000 -2.073 -2.217) 3.035 17.727 ( 0.000 0.389 -1.405) 1.458 17.759 ( 0.000 -0.121 -1.520) 1.525 18.145 ( 0.000 0.353 1.464) 1.506 18.217 ( 0.000 -0.637 0.005) 0.637 18.904 ( 0.000 1.005 1.622) 1.908 18.964 ( 0.000 0.928 -0.057) 0.930 19.071 ( 0.000 0.390 1.198) 1.259 19.203 ( 0.000 -6.885 5.852) 9.036 29.090 ( 0.000 5.975 -0.301) 5.982 29.389 ( 0.000 3.682 -8.115) 8.911 29.587 ( 0.000 -2.898 1.589) 3.305 29.820 ( 0.000 -1.588 -3.576) 3.913 29.951 ( 0.000 4.321 -0.834) 4.401 30.216 ( 0.000 10.752 -8.175) 13.507 30.449 ( 0.000 51.767 -50.941) 72.628 30.592 ( 0.000 14.051 -3.762) 14.546 33.059 ( 0.000 1.309 -0.143) 1.317 33.402 ( 0.000 -3.067 -14.292) 14.617 34.160 ( 0.000 -2.366 20.079) 20.218 34.578 ( 0.000 0.123 5.893) 5.894 34.618 ( 0.000 -1.563 3.405) 3.747 35.326 ( 0.000 -41.282 46.258) 62.000 35.903 ( 0.000 -13.873 8.104) 16.066 36.593 ( 0.000 -5.952 -4.771) 7.629 ======================= Grid point 57 (22/80) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 21.549 13.938 27.542) 37.645 1.570 ( 25.827 34.817 10.234) 44.542 1.838 ( 8.269 22.470 -5.555) 24.579 2.006 ( 38.753 14.146 21.118) 46.345 2.321 ( 10.844 15.205 9.921) 21.147 2.447 ( 13.949 4.712 8.286) 16.895 2.504 ( 19.061 2.566 3.038) 19.471 2.718 ( 17.710 10.185 14.254) 24.911 2.817 ( 10.468 12.019 5.289) 16.793 3.176 ( 3.175 -1.118 8.041) 8.717 3.257 ( 0.485 1.280 7.607) 7.729 3.482 ( -7.362 8.063 -7.705) 13.363 3.608 ( -1.285 1.242 11.084) 11.227 3.814 ( 3.403 -0.229 -0.303) 3.424 3.953 ( 0.198 5.495 5.369) 7.685 4.359 ( 10.830 3.407 5.561) 12.642 4.660 ( -6.258 4.333 -7.691) 10.821 4.708 ( -7.918 -1.395 -5.328) 9.645 4.839 ( -11.530 1.813 -3.614) 12.218 4.950 ( -0.757 2.996 -10.301) 10.755 5.154 ( -0.696 -2.346 -1.865) 3.077 5.187 ( -1.609 5.102 -0.154) 5.352 5.329 ( 3.099 2.457 1.281) 4.157 5.481 ( -5.796 1.796 3.441) 6.976 5.504 ( -3.317 5.787 5.074) 8.380 5.713 ( 12.804 4.522 2.122) 13.744 5.784 ( 1.972 6.726 -3.961) 8.051 5.962 ( 1.988 5.687 -0.198) 6.028 6.451 ( -0.754 2.777 -7.792) 8.306 6.626 ( -2.988 2.767 -1.668) 4.401 6.657 ( -9.353 0.985 -10.905) 14.400 6.867 ( 1.968 0.667 4.384) 4.851 7.037 ( -10.253 -2.506 3.275) 11.051 7.074 ( -6.343 -1.326 10.915) 12.694 7.267 ( 0.464 -2.367 2.019) 3.146 7.448 ( -1.469 -17.476 15.520) 23.419 7.837 ( -1.935 -0.412 -5.120) 5.489 7.860 ( -0.415 -3.531 -0.162) 3.559 7.885 ( 0.002 -5.521 -1.768) 5.797 7.920 ( 1.009 -0.828 -4.579) 4.762 7.954 ( -0.813 -0.210 0.193) 0.862 8.325 ( -9.140 0.038 2.050) 9.367 8.413 ( -6.290 1.070 -4.610) 7.872 8.964 ( -45.125 14.304 19.212) 51.088 11.555 ( 6.385 -1.718 0.537) 6.634 11.777 ( 3.680 -0.424 -1.263) 3.914 11.815 ( 9.534 2.669 0.607) 9.919 12.176 ( -4.016 0.302 0.260) 4.036 12.208 ( -2.609 0.127 0.065) 2.613 12.671 ( 45.300 -22.324 -26.940) 57.238 13.164 ( -2.232 -6.011 3.345) 7.232 13.704 ( 2.294 -3.318 -5.229) 6.604 14.093 ( 1.493 -0.515 1.120) 1.936 14.236 ( -1.588 0.001 -0.734) 1.749 14.431 ( -1.492 -2.395 1.916) 3.411 14.646 ( -3.538 -2.538 -0.037) 4.354 17.098 ( 0.223 1.268 1.745) 2.168 17.120 ( -0.985 3.581 0.124) 3.716 17.496 ( -0.425 -1.557 -1.054) 1.928 17.598 ( -1.191 -2.166 -2.222) 3.324 17.779 ( 3.167 0.039 -2.362) 3.951 17.842 ( 6.999 -2.205 -2.104) 7.633 18.129 ( -1.511 0.074 1.409) 2.067 18.208 ( -0.978 -0.794 0.267) 1.288 18.907 ( 0.877 0.019 2.158) 2.330 18.983 ( 1.032 0.580 -1.017) 1.561 19.058 ( -0.990 -0.159 1.703) 1.976 19.177 ( -2.213 -5.314 5.649) 8.065 29.098 ( 0.858 6.669 -0.471) 6.741 29.377 ( -1.667 6.597 -9.260) 11.491 29.576 ( -1.033 -2.412 1.874) 3.224 29.761 ( -7.512 6.071 -6.747) 11.782 29.948 ( -0.311 4.462 -0.938) 4.570 30.081 ( -14.186 33.265 -13.961) 38.765 30.279 ( -0.944 10.117 -1.665) 10.297 30.565 ( -3.038 13.832 -3.908) 14.691 33.090 ( 2.807 1.367 0.123) 3.125 33.385 ( -2.103 -2.121 -9.693) 10.143 33.881 ( -19.274 -1.766 23.622) 30.539 34.141 ( -7.853 -3.201 22.152) 23.720 34.765 ( 8.735 0.277 6.135) 10.678 35.678 ( -2.689 1.531 -6.337) 7.052 36.251 ( 29.915 -41.026 5.179) 51.038 36.629 ( 3.126 -7.013 -4.632) 8.968 ======================= Grid point 58 (23/80) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 8.929 46.375 8.007) 47.901 1.852 ( 0.048 33.455 3.810) 33.672 1.998 ( 20.164 13.348 25.485) 35.131 2.522 ( 12.603 4.002 0.732) 13.243 2.638 ( 5.721 -0.211 5.098) 7.666 2.783 ( 16.699 8.589 3.045) 19.024 2.931 ( 8.416 4.910 2.994) 10.193 3.028 ( -10.117 5.173 8.290) 14.065 3.204 ( 9.821 5.090 0.268) 11.065 3.281 ( 24.488 6.802 5.629) 26.031 3.353 ( 25.972 -0.387 3.520) 26.213 3.476 ( 16.463 6.485 6.580) 18.878 3.731 ( 3.934 0.293 8.217) 9.115 3.851 ( 1.045 6.920 7.362) 10.158 4.068 ( 19.447 -7.568 7.547) 22.190 4.352 ( -16.942 3.318 -2.646) 17.465 4.590 ( 7.115 -1.721 2.406) 7.706 4.646 ( 1.966 5.314 -5.441) 7.856 4.732 ( 1.281 -0.164 -6.064) 6.200 4.882 ( -5.658 2.350 -9.480) 11.287 5.037 ( -12.707 2.451 2.301) 13.144 5.133 ( -3.482 9.630 -1.313) 10.324 5.275 ( -10.729 0.535 4.820) 11.775 5.374 ( 1.093 1.121 4.525) 4.788 5.408 ( -1.578 6.242 2.068) 6.762 5.716 ( -4.815 11.897 -3.279) 13.246 5.953 ( -4.983 2.432 -4.195) 6.953 6.062 ( 4.074 0.860 -6.617) 7.818 6.235 ( -22.909 4.390 -5.776) 24.030 6.434 ( 1.844 1.171 3.219) 3.891 6.585 ( -2.763 2.223 -1.955) 4.050 6.832 ( -4.641 0.251 7.719) 9.011 6.941 ( 2.936 -1.043 2.021) 3.714 7.042 ( 0.780 -1.434 6.238) 6.448 7.271 ( 0.767 -4.195 2.860) 5.134 7.397 ( -3.469 -9.767 11.180) 15.245 7.808 ( -0.379 -0.239 -3.806) 3.833 7.851 ( -0.499 -3.732 -1.100) 3.923 7.881 ( -0.204 -6.237 -0.598) 6.269 7.928 ( -1.711 -2.131 -0.215) 2.741 7.951 ( 1.944 0.197 -4.476) 4.884 8.120 ( -8.688 3.501 -0.951) 9.415 8.268 ( -5.486 2.913 -0.958) 6.285 8.445 ( -14.001 4.420 7.010) 16.269 11.712 ( 8.645 0.032 0.123) 8.646 11.870 ( 5.212 0.000 -1.435) 5.406 12.067 ( -6.402 0.291 0.864) 6.466 12.092 ( 17.097 2.115 1.314) 17.278 12.128 ( -5.040 -0.053 0.100) 5.041 12.804 ( -13.664 2.346 0.833) 13.889 13.459 ( 17.331 -21.727 -21.584) 35.189 13.732 ( -0.179 -6.882 -9.250) 11.531 14.135 ( 2.410 -0.736 1.188) 2.786 14.205 ( -1.298 0.740 -0.499) 1.576 14.409 ( 0.021 -1.961 0.356) 1.993 14.553 ( -5.326 -2.562 -0.345) 5.921 17.103 ( 0.184 1.384 1.735) 2.227 17.107 ( -0.282 2.478 1.404) 2.862 17.502 ( 0.895 -2.278 -1.626) 2.938 17.566 ( -1.844 -2.339 -2.172) 3.686 17.857 ( 4.358 0.262 -2.168) 4.874 17.954 ( 3.092 -1.447 -2.404) 4.175 18.096 ( -0.909 -1.118 1.745) 2.263 18.176 ( -2.158 -1.292 0.996) 2.705 18.939 ( 1.888 -0.303 1.095) 2.203 18.988 ( -0.555 0.735 -1.249) 1.552 19.049 ( 0.403 -2.261 3.292) 4.014 19.128 ( -2.583 -4.001 5.217) 7.064 29.127 ( 2.078 8.939 -1.147) 9.249 29.296 ( -5.990 15.354 -8.167) 18.394 29.550 ( -0.983 -0.256 2.643) 2.832 29.602 ( -4.466 5.600 0.259) 7.167 29.939 ( -0.336 5.504 -0.431) 5.531 29.957 ( -1.424 7.235 0.036) 7.374 30.313 ( 3.036 7.264 -0.981) 7.934 30.484 ( -4.695 11.234 -2.717) 12.476 33.159 ( 3.807 1.306 0.269) 4.034 33.316 ( -4.096 0.062 -1.224) 4.275 33.735 ( 1.129 -3.073 10.288) 10.797 33.984 ( -8.103 -3.791 15.889) 18.234 34.986 ( 12.676 2.216 4.011) 13.479 35.510 ( -11.418 3.537 -3.107) 12.351 36.630 ( 9.332 -23.636 -5.380) 25.975 36.695 ( 2.914 -10.617 -4.516) 11.900 ======================= Grid point 59 (24/80) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -5.718 46.170 6.385) 46.958 1.768 ( 5.718 46.170 6.385) 46.958 2.471 ( -21.205 -1.348 17.467) 27.506 2.471 ( 21.205 -1.348 17.467) 27.506 2.791 ( -8.545 5.862 -1.513) 10.472 2.791 ( 8.545 5.862 -1.513) 10.472 2.892 ( -4.902 10.488 4.672) 12.485 2.892 ( 4.902 10.488 4.672) 12.485 3.502 ( -15.937 -2.174 4.147) 16.611 3.502 ( 15.937 -2.174 4.147) 16.611 3.674 ( -9.936 4.906 4.996) 12.156 3.674 ( 9.936 4.906 4.996) 12.156 3.764 ( -18.904 1.553 0.269) 18.970 3.764 ( 18.904 1.553 0.269) 18.970 4.413 ( -35.627 3.375 2.255) 35.858 4.413 ( 35.627 3.375 2.255) 35.858 4.661 ( -6.410 -3.762 -2.325) 7.787 4.661 ( 6.410 -3.762 -2.325) 7.787 4.790 ( -7.346 6.858 1.955) 10.238 4.790 ( 7.346 6.858 1.955) 10.238 4.884 ( -17.245 2.173 2.565) 17.569 4.884 ( 17.245 2.173 2.565) 17.569 5.348 ( -11.265 -2.573 0.362) 11.560 5.348 ( 11.265 -2.573 0.362) 11.560 5.494 ( -14.743 9.218 -3.713) 17.779 5.494 ( 14.743 9.218 -3.713) 17.779 5.769 ( -8.624 8.499 -3.932) 12.731 5.769 ( 8.624 8.499 -3.932) 12.731 6.345 ( -11.457 3.356 -3.737) 12.509 6.345 ( 11.457 3.356 -3.737) 12.509 6.689 ( -9.091 -0.225 8.435) 12.403 6.689 ( 9.091 -0.225 8.435) 12.403 7.028 ( -2.926 -0.918 4.154) 5.163 7.028 ( 2.926 -0.918 4.154) 5.163 7.319 ( -3.814 -5.543 4.827) 8.281 7.319 ( 3.814 -5.543 4.827) 8.281 7.829 ( -1.865 -2.848 -2.235) 4.073 7.829 ( 1.865 -2.848 -2.235) 4.073 7.888 ( -1.320 -4.316 0.272) 4.522 7.888 ( 1.320 -4.316 0.272) 4.522 8.006 ( -3.568 1.552 -4.165) 5.700 8.006 ( 3.568 1.552 -4.165) 5.700 8.255 ( -4.754 1.762 0.827) 5.137 8.255 ( 4.754 1.762 0.827) 5.137 11.881 ( -7.188 0.663 -1.047) 7.295 11.881 ( 7.188 0.663 -1.047) 7.295 12.019 ( -4.818 -0.285 0.842) 4.899 12.019 ( 4.818 -0.285 0.842) 4.899 12.464 ( -18.760 2.452 2.013) 19.027 12.464 ( 18.760 2.452 2.013) 19.027 13.677 ( -5.800 -12.405 -15.038) 20.339 13.677 ( 5.800 -12.405 -15.038) 20.339 14.178 ( -1.673 0.145 0.593) 1.781 14.178 ( 1.673 0.145 0.593) 1.781 14.452 ( -4.101 -2.323 -0.688) 4.763 14.452 ( 4.101 -2.323 -0.688) 4.763 17.105 ( -0.056 1.718 1.696) 2.415 17.105 ( 0.056 1.718 1.696) 2.415 17.529 ( -1.723 -2.446 -1.993) 3.595 17.529 ( 1.723 -2.446 -1.993) 3.595 17.941 ( -3.442 0.373 -2.265) 4.138 17.941 ( 3.442 0.373 -2.265) 4.138 18.123 ( -2.822 -2.049 1.720) 3.889 18.123 ( 2.822 -2.049 1.720) 3.889 18.970 ( -1.141 0.643 -0.659) 1.466 18.970 ( 1.141 0.643 -0.659) 1.466 19.077 ( -2.236 -3.776 4.846) 6.538 19.077 ( 2.236 -3.776 4.846) 6.538 29.188 ( -4.202 13.056 -3.138) 14.070 29.188 ( 4.202 13.056 -3.138) 14.070 29.554 ( -1.224 0.519 1.944) 2.355 29.554 ( 1.224 0.519 1.944) 2.355 29.941 ( -0.442 4.559 -0.118) 4.582 29.941 ( 0.442 4.559 -0.118) 4.582 30.389 ( -4.435 8.812 -1.749) 10.019 30.389 ( 4.435 8.812 -1.749) 10.019 33.236 ( -3.839 0.949 0.126) 3.957 33.236 ( 3.839 0.949 0.126) 3.957 33.828 ( -6.921 -3.826 10.546) 13.182 33.828 ( 6.921 -3.826 10.546) 13.182 35.255 ( -13.499 3.423 0.483) 13.935 35.255 ( 13.499 3.423 0.483) 13.935 36.720 ( -1.029 -14.645 -5.242) 15.588 36.720 ( 1.029 -14.645 -5.242) 15.588 ======================= Grid point 63 (25/80) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 14.476 23.095) 27.256 1.433 ( 0.000 11.192 32.131) 34.024 1.867 ( 0.000 3.014 -0.228) 3.023 1.875 ( 0.000 -8.113 17.366) 19.168 2.472 ( 0.000 7.933 5.710) 9.774 2.485 ( 0.000 14.348 -5.565) 15.389 2.755 ( 0.000 2.162 10.175) 10.402 2.926 ( 0.000 3.013 18.824) 19.063 3.112 ( 0.000 38.842 14.024) 41.296 3.198 ( 0.000 10.542 2.254) 10.780 3.281 ( 0.000 4.647 8.906) 10.045 3.607 ( 0.000 0.209 -2.798) 2.806 3.678 ( 0.000 -2.495 7.106) 7.531 3.882 ( 0.000 15.568 -12.222) 19.793 4.205 ( 0.000 4.868 -2.993) 5.714 4.246 ( 0.000 1.331 4.066) 4.279 4.875 ( 0.000 7.995 1.578) 8.149 4.878 ( 0.000 -2.368 -6.954) 7.346 4.988 ( 0.000 1.603 -6.428) 6.625 5.043 ( 0.000 4.418 -5.407) 6.982 5.044 ( 0.000 1.503 4.368) 4.620 5.267 ( 0.000 8.593 4.127) 9.533 5.356 ( 0.000 6.939 -0.233) 6.943 5.558 ( 0.000 0.129 -2.107) 2.110 5.578 ( 0.000 4.042 7.584) 8.594 5.741 ( 0.000 -0.249 -0.911) 0.945 6.061 ( 0.000 24.268 -4.773) 24.732 6.200 ( 0.000 10.928 -9.782) 14.666 6.529 ( 0.000 5.381 -7.774) 9.454 6.692 ( 0.000 1.873 -2.536) 3.153 6.788 ( 0.000 0.420 -7.022) 7.034 6.854 ( 0.000 4.606 6.654) 8.093 7.091 ( 0.000 -2.967 1.461) 3.307 7.145 ( 0.000 -3.732 14.175) 14.658 7.217 ( 0.000 3.041 8.073) 8.627 7.308 ( 0.000 1.502 3.052) 3.402 7.700 ( 0.000 -9.928 -1.307) 10.013 7.736 ( 0.000 -7.878 1.249) 7.977 7.878 ( 0.000 -1.237 -5.975) 6.101 7.886 ( 0.000 -0.705 -2.573) 2.668 7.951 ( 0.000 -1.064 -0.031) 1.065 8.405 ( 0.000 -1.845 -0.277) 1.865 8.433 ( 0.000 -2.069 -0.774) 2.209 9.439 ( 0.000 -32.635 7.334) 33.449 11.436 ( 0.000 -1.847 0.395) 1.889 11.510 ( 0.000 -3.783 -0.040) 3.783 11.787 ( 0.000 2.959 0.351) 2.980 11.833 ( 0.000 1.670 -0.238) 1.687 12.235 ( 0.000 0.676 -0.052) 0.678 12.238 ( 0.000 0.466 -0.057) 0.470 13.257 ( 0.000 3.268 4.452) 5.523 13.601 ( 0.000 -5.098 -1.502) 5.315 14.086 ( 0.000 1.349 -0.236) 1.370 14.249 ( 0.000 -0.830 -3.245) 3.350 14.410 ( 0.000 -0.505 3.054) 3.095 14.612 ( 0.000 -4.162 0.057) 4.162 17.137 ( 0.000 2.843 1.146) 3.066 17.215 ( 0.000 3.822 -2.737) 4.701 17.457 ( 0.000 -3.496 1.459) 3.788 17.551 ( 0.000 -3.600 -2.047) 4.141 17.736 ( 0.000 0.434 -1.316) 1.386 17.756 ( 0.000 -0.202 -1.295) 1.310 18.155 ( 0.000 0.644 1.236) 1.393 18.204 ( 0.000 -0.691 0.119) 0.701 18.944 ( 0.000 2.483 0.267) 2.497 18.987 ( 0.000 1.063 0.284) 1.100 19.084 ( 0.000 0.834 0.513) 0.979 19.127 ( 0.000 -1.645 2.730) 3.187 29.230 ( 0.000 6.601 -3.182) 7.327 29.408 ( 0.000 0.157 -3.979) 3.982 29.556 ( 0.000 0.398 3.080) 3.106 29.747 ( 0.000 -4.431 -0.623) 4.474 30.076 ( 0.000 7.399 -0.506) 7.416 30.341 ( 0.000 3.548 -1.991) 4.068 30.935 ( 0.000 17.630 -8.168) 19.430 31.228 ( 0.000 20.990 -57.072) 60.810 33.098 ( 0.000 2.350 -0.489) 2.400 33.318 ( 0.000 -4.712 -12.553) 13.408 34.101 ( 0.000 -2.891 23.096) 23.276 34.464 ( 0.000 -18.803 39.313) 43.578 34.584 ( 0.000 0.434 5.495) 5.512 34.686 ( 0.000 -9.018 21.858) 23.645 35.888 ( 0.000 4.597 -5.374) 7.072 36.427 ( 0.000 -9.548 -5.313) 10.926 ======================= Grid point 64 (26/80) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 22.509 9.351 20.302) 31.722 1.928 ( 48.951 8.673 20.390) 53.733 2.012 ( 14.907 -1.554 -1.952) 15.115 2.384 ( 36.235 -2.615 9.214) 37.479 2.494 ( 8.867 17.640 -0.023) 19.743 2.605 ( 6.682 6.198 4.266) 10.063 2.781 ( 4.570 5.741 14.163) 15.950 2.995 ( 4.905 18.837 4.642) 20.011 3.138 ( 6.620 2.292 8.814) 11.259 3.255 ( -0.222 16.308 13.028) 20.874 3.290 ( 3.646 8.840 5.279) 10.923 3.601 ( 2.165 2.712 9.635) 10.241 3.733 ( 3.871 -4.104 0.816) 5.700 3.793 ( -7.671 17.497 -9.312) 21.253 4.127 ( -3.916 7.327 1.975) 8.539 4.358 ( 5.756 -3.346 -2.607) 7.150 4.679 ( -11.764 -1.055 -1.081) 11.861 4.866 ( -2.126 5.656 -3.055) 6.771 4.900 ( -4.466 11.355 -3.948) 12.825 4.985 ( -3.645 -0.108 -1.988) 4.153 5.140 ( -0.260 1.181 -2.826) 3.074 5.310 ( 1.547 8.152 4.721) 9.547 5.416 ( 2.337 4.835 -2.956) 6.130 5.499 ( -5.882 0.807 1.562) 6.139 5.678 ( 10.777 5.742 2.252) 12.418 5.829 ( 8.625 0.786 0.803) 8.698 5.973 ( -5.737 18.934 -2.289) 19.916 6.164 ( -3.705 12.469 -8.602) 15.595 6.536 ( -1.279 5.433 -7.972) 9.732 6.687 ( -1.587 2.549 -6.218) 6.905 6.713 ( -6.743 4.724 -6.322) 10.381 6.890 ( 1.138 1.114 3.963) 4.271 6.972 ( -8.689 -2.102 6.290) 10.931 7.048 ( -6.632 0.073 12.843) 14.455 7.211 ( -1.227 -0.808 8.796) 8.917 7.316 ( 0.109 0.432 3.896) 3.922 7.702 ( 0.144 -9.800 -1.130) 9.866 7.731 ( -0.493 -7.854 0.804) 7.910 7.861 ( -1.164 0.700 -4.238) 4.451 7.898 ( 0.839 -2.449 -3.674) 4.495 7.927 ( -1.866 -1.822 -0.778) 2.721 8.313 ( -8.004 -0.970 1.969) 8.299 8.377 ( -5.834 -3.496 -3.638) 7.713 8.963 ( -31.966 -13.936 11.556) 36.736 11.530 ( 8.659 -0.306 0.365) 8.672 11.745 ( 6.973 -3.183 -1.433) 7.798 11.875 ( 9.017 2.910 0.523) 9.489 12.172 ( 8.365 -4.657 -2.948) 10.017 12.209 ( 0.161 -1.063 -0.627) 1.245 12.231 ( 21.850 -10.109 -3.499) 24.328 13.166 ( -8.536 3.536 4.308) 10.194 13.595 ( -1.162 -7.131 -2.458) 7.632 14.101 ( 1.507 1.406 -0.320) 2.086 14.242 ( -0.537 -0.135 -3.113) 3.161 14.391 ( -1.704 -0.978 2.573) 3.238 14.576 ( -3.497 -4.081 -0.098) 5.375 17.141 ( 0.345 2.931 1.132) 3.161 17.203 ( -1.026 4.306 -1.812) 4.783 17.443 ( -0.867 -3.390 0.570) 3.545 17.537 ( -1.360 -3.685 -2.115) 4.461 17.779 ( 3.398 -0.003 -1.498) 3.714 17.805 ( 4.818 -1.211 -0.234) 4.974 18.134 ( -2.007 0.467 1.275) 2.423 18.189 ( -1.510 -1.009 0.523) 1.890 18.931 ( -0.516 2.089 1.214) 2.470 18.997 ( 0.466 0.586 -0.253) 0.791 19.067 ( -1.550 0.820 0.573) 1.845 19.111 ( -1.613 -1.665 2.644) 3.516 29.247 ( 1.770 6.715 -3.492) 7.773 29.415 ( 0.588 0.571 -4.039) 4.122 29.551 ( -0.441 0.399 2.916) 2.976 29.729 ( -1.912 -4.024 -1.484) 4.696 30.077 ( 0.264 7.986 -0.393) 8.000 30.363 ( 2.150 4.165 -2.388) 5.260 30.819 ( -16.026 20.423 -17.228) 31.157 30.944 ( -16.574 21.107 -24.320) 36.217 33.132 ( 3.054 2.637 0.145) 4.038 33.331 ( 0.992 -2.946 -8.711) 9.249 33.841 ( -18.391 -1.508 25.966) 31.855 34.049 ( -8.891 -5.429 23.319) 25.540 34.784 ( 11.994 1.811 5.783) 13.438 35.446 ( 38.395 -25.323 9.316) 46.927 35.826 ( -5.204 3.758 -3.887) 7.504 36.438 ( 0.659 -10.955 -5.101) 12.102 ======================= Grid point 65 (27/80) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 25.330 6.307 18.131) 31.783 2.281 ( 11.027 5.652 -0.552) 12.403 2.605 ( -1.718 9.282 9.930) 13.701 2.668 ( 3.183 5.618 8.924) 11.016 2.715 ( 16.305 23.777 -0.706) 28.839 2.945 ( 23.409 6.080 10.278) 26.279 3.059 ( 0.404 5.941 5.241) 7.933 3.142 ( -7.999 5.375 7.221) 12.042 3.294 ( 24.394 -1.935 0.476) 24.476 3.308 ( 8.925 3.244 -1.925) 9.690 3.516 ( 16.516 9.684 7.466) 20.550 3.654 ( 0.752 5.761 2.757) 6.431 3.747 ( 12.071 6.837 4.425) 14.561 3.968 ( 17.709 3.871 8.194) 19.893 4.061 ( 6.228 8.303 3.168) 10.852 4.386 ( -13.363 1.144 -1.280) 13.472 4.454 ( 1.320 -6.686 -3.398) 7.615 4.746 ( -5.419 0.870 -6.863) 8.788 4.928 ( 1.811 5.108 -1.535) 5.633 4.945 ( 1.645 14.486 1.100) 14.621 5.106 ( -3.959 2.982 -1.939) 5.323 5.264 ( -3.717 3.185 3.491) 6.012 5.287 ( -15.596 2.865 5.223) 16.695 5.427 ( -1.782 2.943 0.361) 3.460 5.712 ( -4.262 17.806 -9.256) 20.516 5.958 ( -3.125 10.148 -7.818) 13.186 6.032 ( 0.581 5.485 -0.653) 5.554 6.096 ( 0.457 3.401 -4.564) 5.710 6.392 ( -12.930 10.743 -2.097) 16.941 6.481 ( -1.006 4.504 3.270) 5.656 6.666 ( -3.504 5.708 -2.655) 7.205 6.840 ( -5.495 0.529 7.005) 8.919 6.917 ( 4.447 -0.756 1.246) 4.680 7.009 ( 0.839 -1.146 6.259) 6.418 7.178 ( -0.989 -2.680 7.969) 8.466 7.294 ( -2.562 -1.474 4.543) 5.420 7.705 ( 0.166 -9.423 -0.804) 9.459 7.719 ( -0.577 -8.046 -0.206) 8.070 7.840 ( -0.641 1.946 -2.380) 3.140 7.884 ( -1.959 -3.191 1.219) 3.938 7.931 ( 2.184 -1.732 -4.599) 5.378 8.130 ( -8.747 -1.805 -1.072) 8.996 8.237 ( -5.973 -4.704 -1.810) 7.816 8.457 ( -17.767 -5.846 8.401) 20.504 11.725 ( 9.755 1.433 -0.060) 9.860 11.865 ( 5.955 -0.663 -1.020) 6.078 12.078 ( -6.574 0.844 0.150) 6.630 12.126 ( -4.894 -0.177 -0.134) 4.899 12.154 ( 17.357 3.913 1.081) 17.825 12.835 ( 5.847 -6.534 -6.658) 11.009 12.990 ( 6.377 -12.988 -0.952) 14.501 13.529 ( -5.874 -12.084 -5.037) 14.349 14.144 ( 2.613 1.452 -0.331) 3.007 14.231 ( -0.765 1.457 -2.078) 2.651 14.359 ( -0.667 -2.487 0.891) 2.725 14.484 ( -5.147 -3.848 -0.595) 6.454 17.150 ( 0.522 3.244 1.027) 3.443 17.181 ( -1.085 4.459 -0.242) 4.596 17.438 ( 0.495 -3.760 -0.910) 3.900 17.501 ( -2.028 -3.877 -2.179) 4.888 17.863 ( 4.700 0.289 -1.104) 4.837 17.916 ( 5.361 -1.915 0.352) 5.704 18.079 ( -3.129 -0.351 1.557) 3.513 18.142 ( -3.165 -1.902 1.515) 3.991 18.941 ( 1.541 0.858 1.746) 2.482 19.000 ( -0.071 0.280 -0.529) 0.603 19.032 ( -1.599 0.436 0.885) 1.879 19.066 ( -2.612 -1.777 2.698) 4.154 29.301 ( 3.462 6.659 -4.366) 8.683 29.421 ( -0.580 2.184 -4.485) 5.023 29.547 ( 0.365 0.328 2.101) 2.157 29.666 ( -4.240 -1.753 -2.544) 5.246 30.093 ( 1.587 10.305 -0.118) 10.428 30.361 ( -11.410 20.560 -8.725) 25.081 30.471 ( -0.994 9.104 -2.120) 9.400 30.735 ( -8.805 11.250 -5.508) 15.311 33.205 ( 3.868 3.154 1.485) 5.208 33.335 ( -1.301 1.944 0.594) 2.413 33.651 ( -1.612 -4.513 12.363) 13.260 33.873 ( -8.664 -6.721 16.252) 19.605 35.068 ( 15.279 6.032 3.099) 16.716 35.625 ( -10.538 7.645 -3.689) 13.532 36.070 ( 19.981 -26.841 -0.030) 33.462 36.433 ( -1.761 -14.720 -4.571) 15.514 ======================= Grid point 66 (28/80) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -13.547 12.495 7.351) 19.842 2.454 ( 13.547 12.495 7.351) 19.842 2.493 ( -13.932 6.147 8.818) 17.597 2.493 ( 13.932 6.147 8.818) 17.597 2.986 ( -8.138 9.726 7.254) 14.610 2.986 ( 8.138 9.726 7.254) 14.610 3.081 ( -5.130 8.123 3.073) 10.087 3.081 ( 5.130 8.123 3.073) 10.087 3.452 ( -8.093 1.154 5.583) 9.899 3.452 ( 8.093 1.154 5.583) 9.899 3.745 ( -12.993 -1.300 -0.059) 13.058 3.745 ( 12.993 -1.300 -0.059) 13.058 3.898 ( -15.508 12.569 -1.064) 19.990 3.898 ( 15.508 12.569 -1.064) 19.990 4.420 ( -14.924 -3.222 -4.669) 15.966 4.420 ( 14.924 -3.222 -4.669) 15.966 4.676 ( -19.986 5.476 7.029) 21.882 4.676 ( 19.986 5.476 7.029) 21.882 4.891 ( -19.213 0.265 2.852) 19.425 4.891 ( 19.213 0.265 2.852) 19.425 5.008 ( -2.547 10.812 1.569) 11.218 5.008 ( 2.547 10.812 1.569) 11.218 5.300 ( -8.046 -1.716 -0.489) 8.242 5.300 ( 8.046 -1.716 -0.489) 8.242 5.753 ( -9.984 14.151 -7.796) 18.992 5.753 ( 9.984 14.151 -7.796) 18.992 5.978 ( -5.625 10.588 -8.123) 14.481 5.978 ( 5.625 10.588 -8.123) 14.481 6.469 ( -10.195 9.263 2.509) 14.001 6.469 ( 10.195 9.263 2.509) 14.001 6.687 ( -8.673 0.472 7.929) 11.761 6.687 ( 8.673 0.472 7.929) 11.761 7.008 ( -2.023 -0.645 2.660) 3.404 7.008 ( 2.023 -0.645 2.660) 3.404 7.213 ( -4.472 -3.750 4.593) 7.427 7.213 ( 4.472 -3.750 4.593) 7.427 7.710 ( -0.355 -8.623 -0.729) 8.661 7.710 ( 0.355 -8.623 -0.729) 8.661 7.846 ( -1.408 0.195 0.937) 1.702 7.846 ( 1.408 0.195 0.937) 1.702 7.997 ( -4.547 -2.245 -4.107) 6.525 7.997 ( 4.547 -2.245 -4.107) 6.525 8.222 ( -5.538 -5.759 1.970) 8.229 8.222 ( 5.538 -5.759 1.970) 8.229 11.905 ( -7.359 1.682 -0.943) 7.608 11.905 ( 7.359 1.682 -0.943) 7.608 12.010 ( -5.223 -0.668 0.398) 5.281 12.010 ( 5.223 -0.668 0.398) 5.281 12.542 ( -19.393 5.278 1.619) 20.164 12.542 ( 19.393 5.278 1.619) 20.164 13.336 ( -13.991 -18.911 -8.134) 24.890 13.336 ( 13.991 -18.911 -8.134) 24.890 14.198 ( -2.446 1.765 -0.474) 3.053 14.198 ( 2.446 1.765 -0.474) 3.053 14.390 ( -3.642 -3.493 -0.873) 5.121 14.390 ( 3.642 -3.493 -0.873) 5.121 17.162 ( -0.733 3.848 0.675) 3.975 17.162 ( 0.733 3.848 0.675) 3.975 17.462 ( -1.715 -3.967 -1.872) 4.710 17.462 ( 1.715 -3.967 -1.872) 4.710 17.952 ( -3.167 0.720 -0.959) 3.386 17.952 ( 3.167 0.720 -0.959) 3.386 18.069 ( -3.328 -2.968 2.632) 5.177 18.069 ( 3.328 -2.968 2.632) 5.177 18.983 ( -2.054 0.525 0.503) 2.179 18.983 ( 2.054 0.525 0.503) 2.179 19.022 ( -1.109 -1.159 2.031) 2.588 19.022 ( 1.109 -1.159 2.031) 2.588 29.377 ( -3.579 5.061 -5.043) 7.991 29.377 ( 3.579 5.061 -5.043) 7.991 29.582 ( -3.288 0.356 -0.285) 3.320 29.582 ( 3.288 0.356 -0.285) 3.320 30.161 ( -5.912 16.026 -1.031) 17.113 30.161 ( 5.912 16.026 -1.031) 17.113 30.571 ( -7.177 7.157 -2.914) 10.546 30.571 ( 7.177 7.157 -2.914) 10.546 33.281 ( -3.522 3.663 3.055) 5.929 33.281 ( 3.522 3.663 3.055) 5.929 33.715 ( -6.493 -6.880 10.591) 14.201 33.715 ( 6.493 -6.880 10.591) 14.201 35.370 ( -14.277 8.021 -0.475) 16.383 35.370 ( 14.277 8.021 -0.475) 16.383 36.341 ( -8.057 -20.393 -3.538) 22.210 36.341 ( 8.057 -20.393 -3.538) 22.210 ======================= Grid point 70 (29/80) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 14.174 18.110) 22.997 1.613 ( 0.000 -3.026 13.035) 13.382 1.710 ( 0.000 1.186 20.332) 20.367 1.842 ( 0.000 -5.012 5.402) 7.369 2.629 ( 0.000 7.320 8.355) 11.108 2.699 ( 0.000 7.987 11.487) 13.991 2.750 ( 0.000 -2.734 6.482) 7.035 2.856 ( 0.000 -6.278 16.199) 17.372 3.279 ( 0.000 1.812 3.255) 3.725 3.308 ( 0.000 0.229 1.794) 1.809 3.583 ( 0.000 1.851 0.481) 1.912 3.623 ( 0.000 -2.416 2.678) 3.607 3.905 ( 0.000 23.415 2.010) 23.501 4.110 ( 0.000 3.171 -7.048) 7.728 4.233 ( 0.000 -0.242 -2.905) 2.915 4.247 ( 0.000 -1.429 -0.174) 1.439 4.835 ( 0.000 -0.960 -3.087) 3.233 4.866 ( 0.000 -3.664 -0.852) 3.762 5.027 ( 0.000 1.693 -3.413) 3.810 5.058 ( 0.000 -1.139 -2.855) 3.073 5.313 ( 0.000 16.081 8.592) 18.232 5.456 ( 0.000 3.653 6.080) 7.093 5.478 ( 0.000 4.642 -3.284) 5.686 5.542 ( 0.000 -1.766 -3.651) 4.056 5.650 ( 0.000 3.126 6.564) 7.271 5.713 ( 0.000 -2.520 3.739) 4.509 6.407 ( 0.000 7.281 -14.559) 16.278 6.420 ( 0.000 7.479 -17.059) 18.626 6.642 ( 0.000 4.553 -7.109) 8.441 6.697 ( 0.000 -1.179 -6.443) 6.550 6.823 ( 0.000 2.720 -2.261) 3.538 6.884 ( 0.000 -2.492 -0.452) 2.532 7.142 ( 0.000 6.764 7.187) 9.869 7.162 ( 0.000 4.878 11.930) 12.889 7.294 ( 0.000 -2.046 13.039) 13.198 7.302 ( 0.000 -5.618 2.981) 6.360 7.585 ( 0.000 3.290 -0.904) 3.412 7.680 ( 0.000 7.517 -0.871) 7.567 7.765 ( 0.000 -8.785 -0.580) 8.804 7.834 ( 0.000 -3.549 -5.162) 6.264 8.060 ( 0.000 15.069 4.275) 15.664 8.374 ( 0.000 -0.941 -0.929) 1.322 8.392 ( 0.000 -1.469 -0.291) 1.498 8.682 ( 0.000 -37.959 11.523) 39.669 11.418 ( 0.000 0.196 0.279) 0.341 11.445 ( 0.000 -2.333 0.105) 2.335 11.835 ( 0.000 1.607 0.259) 1.627 11.852 ( 0.000 0.064 0.071) 0.095 12.247 ( 0.000 0.356 -0.261) 0.442 12.247 ( 0.000 0.306 -0.267) 0.406 13.348 ( 0.000 5.456 2.887) 6.173 13.475 ( 0.000 -6.552 1.033) 6.633 14.134 ( 0.000 3.114 -1.613) 3.507 14.203 ( 0.000 -3.239 -2.753) 4.251 14.439 ( 0.000 3.091 1.572) 3.468 14.521 ( 0.000 -4.464 0.431) 4.484 17.210 ( 0.000 3.913 0.131) 3.915 17.268 ( 0.000 -0.188 -2.498) 2.505 17.406 ( 0.000 0.241 1.465) 1.485 17.468 ( 0.000 -4.206 -1.261) 4.391 17.745 ( 0.000 0.359 -1.191) 1.244 17.751 ( 0.000 -0.278 -1.182) 1.215 18.170 ( 0.000 0.825 0.887) 1.211 18.188 ( 0.000 -0.832 0.468) 0.954 18.988 ( 0.000 1.485 0.102) 1.489 19.001 ( 0.000 0.170 0.300) 0.345 19.100 ( 0.000 0.599 0.223) 0.639 19.109 ( 0.000 -0.417 0.814) 0.915 29.342 ( 0.000 4.187 -4.629) 6.241 29.400 ( 0.000 -1.392 -4.088) 4.319 29.593 ( 0.000 2.646 3.117) 4.089 29.658 ( 0.000 -3.791 1.358) 4.027 30.235 ( 0.000 7.372 -0.782) 7.413 30.348 ( 0.000 -2.891 -1.452) 3.235 31.264 ( 0.000 12.940 -18.307) 22.418 31.417 ( 0.000 -0.630 -36.083) 36.089 33.151 ( 0.000 2.840 -3.284) 4.341 33.223 ( 0.000 -4.184 -8.484) 9.460 34.065 ( 0.000 0.212 29.070) 29.071 34.150 ( 0.000 -9.046 39.719) 40.736 34.597 ( 0.000 0.854 5.338) 5.406 34.620 ( 0.000 -1.440 6.109) 6.276 36.025 ( 0.000 8.347 -6.225) 10.412 36.219 ( 0.000 -10.132 -5.922) 11.736 ======================= Grid point 71 (30/80) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 18.803 9.876 9.434) 23.240 1.898 ( 15.706 -7.924 2.806) 17.814 2.112 ( 44.045 8.960 16.540) 47.894 2.282 ( 40.488 -6.950 12.555) 42.956 2.717 ( 7.658 4.945 9.897) 13.456 2.789 ( 9.955 10.686 9.077) 17.196 2.796 ( 5.959 -0.953 10.249) 11.894 2.999 ( 12.324 -7.708 9.746) 17.501 3.233 ( -3.589 4.003 1.876) 5.694 3.293 ( -1.639 -1.222 0.421) 2.088 3.558 ( -2.557 2.841 4.876) 6.196 3.617 ( -1.048 -3.267 4.092) 5.340 3.928 ( 2.357 18.724 1.891) 18.967 4.081 ( -2.052 5.679 -6.516) 8.884 4.214 ( -1.663 1.595 0.660) 2.397 4.274 ( 2.012 -4.010 -2.564) 5.168 4.699 ( -9.331 3.953 0.453) 10.144 4.822 ( -4.998 -6.177 -2.230) 8.253 4.997 ( -1.716 3.776 -6.137) 7.407 5.071 ( 1.043 -2.417 -7.290) 7.750 5.324 ( -1.188 15.454 7.791) 17.348 5.447 ( -2.792 2.985 3.348) 5.283 5.498 ( -2.668 0.552 -2.471) 3.678 5.511 ( -1.377 0.239 3.242) 3.530 5.761 ( 12.008 3.140 4.565) 13.225 5.812 ( 10.883 -1.794 3.829) 11.676 6.299 ( -8.294 10.216 -12.577) 18.203 6.371 ( -6.274 3.929 -14.983) 16.712 6.661 ( 0.358 5.854 -8.403) 10.247 6.728 ( 2.213 0.097 -7.624) 7.939 6.798 ( -2.413 2.887 -5.031) 6.283 6.854 ( -2.978 -3.053 -2.089) 4.749 7.035 ( -7.142 6.321 13.100) 16.204 7.124 ( -6.822 3.912 13.576) 15.689 7.225 ( -2.491 -0.017 8.015) 8.393 7.322 ( -0.449 -4.220 6.170) 7.489 7.580 ( -0.408 2.440 -0.632) 2.553 7.674 ( -0.844 8.030 0.517) 8.090 7.753 ( -0.952 -9.262 -0.397) 9.319 7.845 ( 1.157 -3.610 -4.568) 5.937 7.977 ( -5.973 8.272 0.381) 10.210 8.261 ( -12.079 -8.123 -1.996) 14.692 8.320 ( -5.748 0.827 1.729) 6.060 8.513 ( -12.973 -23.129 11.348) 28.845 11.553 ( 11.348 2.770 -0.108) 11.682 11.644 ( 12.726 -5.618 -1.010) 13.948 11.932 ( 10.303 2.648 0.266) 10.641 12.000 ( 17.047 -4.903 -0.890) 17.760 12.208 ( -3.457 0.616 -0.162) 3.515 12.216 ( -3.181 -0.086 -0.248) 3.192 13.273 ( -7.418 6.546 2.516) 10.208 13.429 ( -4.818 -8.291 0.402) 9.598 14.147 ( 1.324 2.865 -1.594) 3.536 14.209 ( 0.689 -2.771 -2.688) 3.922 14.411 ( -2.713 2.755 1.322) 4.086 14.487 ( -3.221 -4.271 0.190) 5.353 17.216 ( 0.591 4.043 0.122) 4.088 17.272 ( 0.359 0.570 -2.454) 2.545 17.387 ( -1.666 -0.156 1.197) 2.057 17.450 ( -1.606 -4.416 -1.412) 4.907 17.781 ( 3.390 0.206 -0.781) 3.485 17.789 ( 3.598 -0.528 -0.444) 3.664 18.148 ( -2.236 0.809 1.062) 2.605 18.167 ( -2.067 -1.035 0.824) 2.454 18.976 ( -0.786 1.878 0.483) 2.092 19.000 ( -0.242 -0.437 0.118) 0.513 19.083 ( -1.589 0.604 0.232) 1.715 19.092 ( -1.657 -0.426 0.856) 1.913 29.359 ( 1.686 4.137 -4.594) 6.408 29.415 ( 1.433 -1.125 -3.926) 4.328 29.583 ( -1.065 2.291 2.414) 3.494 29.644 ( -1.440 -3.722 0.602) 4.036 30.254 ( 1.935 8.156 -0.750) 8.415 30.376 ( 2.798 -2.971 -1.552) 4.366 31.125 ( -12.967 10.119 -16.396) 23.225 31.206 ( -17.536 3.488 -25.418) 31.077 33.193 ( 3.783 3.276 -1.840) 5.332 33.265 ( 3.837 -3.452 -5.572) 7.595 33.845 ( -15.316 2.312 26.200) 30.437 33.931 ( -11.185 -5.501 24.604) 27.581 34.856 ( 18.714 5.705 5.969) 20.455 35.046 ( 29.300 -13.441 7.751) 33.154 35.978 ( -4.699 9.524 -5.643) 12.026 36.200 ( -2.182 -11.592 -5.518) 13.022 ======================= Grid point 72 (31/80) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 22.304 6.862 8.654) 24.889 2.251 ( 18.476 -5.040 1.497) 19.209 2.688 ( 5.953 3.629 14.667) 16.240 2.750 ( 0.748 -0.827 14.409) 14.452 2.958 ( 10.685 6.540 6.333) 14.037 3.070 ( -0.989 -2.597 4.989) 5.710 3.164 ( 17.967 7.142 6.137) 20.285 3.233 ( 0.658 2.285 5.898) 6.359 3.275 ( 22.073 0.608 -1.498) 22.132 3.316 ( 13.516 -1.423 -4.084) 14.191 3.578 ( 5.213 0.970 9.041) 10.481 3.639 ( 12.308 -4.212 8.207) 15.381 3.990 ( 4.808 10.981 -3.656) 12.532 4.103 ( 6.059 0.924 -1.962) 6.435 4.204 ( 4.210 6.194 1.866) 7.718 4.325 ( 3.475 -5.682 -2.419) 7.087 4.511 ( -7.088 10.575 0.743) 12.752 4.696 ( -5.904 -5.903 -3.952) 9.237 5.012 ( 3.067 4.569 -3.899) 6.744 5.096 ( 0.861 -3.094 -5.998) 6.804 5.260 ( -5.654 10.754 7.019) 14.031 5.330 ( -9.629 1.021 6.403) 11.609 5.355 ( -9.696 4.722 2.174) 11.001 5.453 ( -6.324 -1.695 0.880) 6.606 5.963 ( 1.751 6.475 -10.292) 12.285 6.034 ( 6.048 -0.945 -5.466) 8.207 6.178 ( -1.649 6.887 -4.365) 8.319 6.217 ( -6.526 3.966 -9.518) 12.203 6.575 ( -3.014 7.090 2.014) 7.963 6.637 ( -7.038 3.821 -1.159) 8.092 6.797 ( -0.326 5.844 -2.590) 6.400 6.851 ( -1.149 0.334 -1.219) 1.709 6.943 ( 1.669 3.383 6.525) 7.537 7.012 ( -1.492 -0.031 11.225) 11.324 7.171 ( -3.397 1.979 7.220) 8.221 7.276 ( -4.396 -3.843 5.933) 8.324 7.575 ( 0.140 1.239 -0.324) 1.288 7.639 ( -2.460 6.205 1.436) 6.828 7.742 ( 0.278 -10.024 0.465) 10.038 7.872 ( -1.294 -5.712 0.269) 5.863 7.901 ( 1.014 2.644 -3.325) 4.368 8.016 ( -8.723 -9.238 -2.924) 13.038 8.161 ( -8.712 -0.417 2.032) 8.956 8.250 ( -12.491 -9.745 6.089) 16.972 11.773 ( 9.658 3.059 -0.451) 10.141 11.834 ( 7.696 -2.393 -0.735) 8.093 12.099 ( -6.294 1.098 -0.484) 6.407 12.118 ( -5.613 -0.647 -0.500) 5.672 12.265 ( 20.685 7.388 0.320) 21.967 12.491 ( 26.062 -15.257 -2.885) 30.338 13.053 ( -14.389 8.444 1.623) 16.763 13.269 ( -11.347 -12.180 -1.181) 16.688 14.187 ( 2.585 2.515 -1.305) 3.836 14.236 ( 2.008 -1.610 -2.390) 3.513 14.341 ( -3.792 1.536 0.660) 4.144 14.403 ( -4.735 -3.804 -0.486) 6.093 17.233 ( 1.099 4.519 0.011) 4.651 17.277 ( -0.189 3.628 -1.836) 4.070 17.357 ( -0.781 -3.008 0.218) 3.116 17.409 ( -2.277 -4.822 -1.636) 5.578 17.870 ( 5.186 0.446 0.083) 5.206 17.885 ( 5.604 -1.080 0.904) 5.778 18.082 ( -4.192 0.621 1.326) 4.441 18.105 ( -4.105 -1.533 1.541) 4.645 18.971 ( 0.485 1.655 0.824) 1.911 18.996 ( 0.110 -0.712 0.093) 0.727 19.044 ( -2.199 0.392 0.403) 2.270 19.049 ( -2.370 -0.246 0.817) 2.519 29.407 ( 2.930 4.024 -4.208) 6.518 29.454 ( 2.160 0.215 -3.453) 4.078 29.552 ( -1.816 0.733 0.398) 1.998 29.601 ( -2.745 -3.496 -1.098) 4.579 30.323 ( 5.247 10.252 -1.171) 11.576 30.465 ( 6.114 -2.745 -2.298) 7.085 30.780 ( -17.959 11.676 -11.626) 24.372 30.881 ( -14.187 1.684 -9.613) 17.220 33.287 ( 5.200 4.548 1.970) 7.184 33.362 ( 5.319 -1.227 1.113) 5.571 33.603 ( -8.781 1.896 16.085) 18.423 33.720 ( -9.640 -7.612 16.419) 20.505 35.251 ( 19.083 12.061 2.227) 22.684 35.577 ( 22.131 -19.468 1.456) 29.512 35.836 ( -9.375 11.754 -3.998) 15.557 36.118 ( -6.281 -15.006 -4.394) 16.850 ======================= Grid point 73 (32/80) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -14.156 3.680 7.964) 16.654 2.547 ( 14.156 3.680 7.964) 16.654 2.596 ( -9.449 0.042 3.768) 10.173 2.596 ( 9.449 0.042 3.768) 10.173 3.093 ( -6.294 2.955 10.936) 12.959 3.093 ( 6.294 2.955 10.936) 12.959 3.142 ( -7.965 -1.442 10.078) 12.926 3.142 ( 7.965 -1.442 10.078) 12.926 3.575 ( -4.275 6.944 0.693) 8.184 3.575 ( 4.275 6.944 0.693) 8.184 3.686 ( -11.245 -4.071 -0.922) 11.994 3.686 ( 11.245 -4.071 -0.922) 11.994 4.159 ( -9.795 10.899 -4.806) 15.422 4.159 ( 9.795 10.899 -4.806) 15.422 4.326 ( -7.616 -5.782 -5.431) 10.997 4.326 ( 7.616 -5.782 -5.431) 10.997 4.799 ( -17.966 5.110 5.694) 19.527 4.799 ( 17.966 5.110 5.694) 19.527 4.873 ( -15.677 -2.111 3.746) 16.256 4.873 ( 15.677 -2.111 3.746) 16.256 5.197 ( -5.337 6.505 1.848) 8.615 5.197 ( 5.337 6.505 1.848) 8.615 5.273 ( -6.746 -1.553 0.816) 6.971 5.273 ( 6.746 -1.553 0.816) 6.971 6.017 ( -7.808 10.053 -11.030) 16.843 6.017 ( 7.808 10.053 -11.030) 16.843 6.115 ( -6.083 1.116 -11.390) 12.960 6.115 ( 6.083 1.116 -11.390) 12.960 6.676 ( -1.567 7.174 8.697) 11.382 6.676 ( 1.567 7.174 8.697) 11.382 6.725 ( -3.959 2.208 5.751) 7.323 6.725 ( 3.959 2.208 5.751) 7.323 7.034 ( -2.849 4.220 2.135) 5.521 7.034 ( 2.849 4.220 2.135) 5.521 7.152 ( -5.739 -4.334 5.451) 9.024 7.152 ( 5.739 -4.334 5.451) 9.024 7.593 ( -1.701 2.121 0.187) 2.725 7.593 ( 1.701 2.121 0.187) 2.725 7.785 ( -4.277 -9.487 2.267) 10.651 7.785 ( 4.277 -9.487 2.267) 10.651 7.965 ( -1.033 1.586 -3.140) 3.666 7.965 ( 1.033 1.586 -3.140) 3.666 8.060 ( -3.192 -7.367 1.376) 8.145 8.060 ( 3.192 -7.367 1.376) 8.145 11.948 ( -6.878 2.216 -0.742) 7.264 11.948 ( 6.878 2.216 -0.742) 7.264 11.988 ( -5.950 -1.521 -0.229) 6.146 11.988 ( 5.950 -1.521 -0.229) 6.146 12.694 ( -20.127 9.870 0.408) 22.420 12.694 ( 20.127 9.870 0.408) 22.420 12.962 ( -19.171 -16.091 -2.598) 25.163 12.962 ( 19.171 -16.091 -2.598) 25.163 14.247 ( -2.851 2.901 -0.936) 4.174 14.247 ( 2.851 2.901 -0.936) 4.174 14.315 ( -3.236 -3.588 -1.000) 4.934 14.315 ( 3.236 -3.588 -1.000) 4.934 17.259 ( -1.339 5.242 -0.450) 5.429 17.259 ( 1.339 5.242 -0.450) 5.429 17.368 ( -1.628 -5.063 -1.340) 5.484 17.368 ( 1.628 -5.063 -1.340) 5.484 17.973 ( -3.045 1.395 0.623) 3.407 17.973 ( 3.045 1.395 0.623) 3.407 18.012 ( -3.250 -2.379 2.075) 4.531 18.012 ( 3.250 -2.379 2.075) 4.531 18.997 ( -1.881 0.859 0.758) 2.202 18.997 ( 1.881 0.859 0.758) 2.202 19.011 ( -1.145 -0.463 0.414) 1.303 19.011 ( 1.145 -0.463 0.414) 1.303 29.464 ( -2.066 4.108 -3.033) 5.508 29.464 ( 2.066 4.108 -3.033) 5.508 29.545 ( -2.116 -3.380 -1.953) 4.440 29.545 ( 2.116 -3.380 -1.953) 4.440 30.481 ( -10.762 12.546 -4.077) 17.025 30.481 ( 10.762 12.546 -4.077) 17.025 30.633 ( -10.061 -1.944 -4.319) 11.120 30.633 ( 10.061 -1.944 -4.319) 11.120 33.392 ( -4.408 7.007 6.864) 10.753 33.392 ( 4.408 7.007 6.864) 10.753 33.555 ( -5.689 -8.256 9.605) 13.885 33.555 ( 5.689 -8.256 9.605) 13.885 35.593 ( -14.579 13.624 -1.492) 20.010 35.593 ( 14.579 13.624 -1.492) 20.010 35.929 ( -12.964 -18.653 -2.378) 22.840 35.929 ( 12.964 -18.653 -2.378) 22.840 ======================= Grid point 98 (33/80) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 0.000 13.983) 13.983 1.239 ( 0.000 0.000 -5.606) 5.606 1.481 ( 0.000 0.000 41.233) 41.233 2.205 ( 0.000 0.000 8.089) 8.089 2.241 ( 0.000 0.000 34.257) 34.257 2.255 ( 0.000 0.000 1.086) 1.086 2.615 ( 0.000 0.000 13.075) 13.075 2.829 ( 0.000 0.000 9.099) 9.099 2.947 ( 0.000 0.000 52.250) 52.250 3.240 ( 0.000 0.000 -7.818) 7.818 3.429 ( 0.000 0.000 15.787) 15.787 3.446 ( 0.000 0.000 9.086) 9.086 3.646 ( 0.000 0.000 -5.321) 5.321 3.715 ( 0.000 0.000 -0.683) 0.683 4.090 ( 0.000 0.000 20.011) 20.011 4.353 ( 0.000 0.000 -5.651) 5.651 4.562 ( 0.000 0.000 -16.978) 16.978 4.602 ( 0.000 0.000 -0.093) 0.093 4.734 ( 0.000 0.000 -14.408) 14.408 4.734 ( 0.000 0.000 -13.184) 13.184 4.844 ( 0.000 0.000 -1.821) 1.821 5.226 ( 0.000 0.000 2.306) 2.306 5.442 ( 0.000 0.000 6.153) 6.153 5.579 ( 0.000 0.000 4.066) 4.066 5.605 ( 0.000 0.000 2.379) 2.379 5.719 ( 0.000 0.000 4.396) 4.396 5.799 ( 0.000 0.000 18.340) 18.340 5.944 ( 0.000 0.000 1.453) 1.453 6.294 ( 0.000 0.000 -2.328) 2.328 6.539 ( 0.000 0.000 -11.274) 11.274 6.622 ( 0.000 0.000 -4.490) 4.490 6.837 ( 0.000 0.000 1.576) 1.576 7.118 ( 0.000 0.000 -10.927) 10.927 7.265 ( 0.000 0.000 -0.658) 0.658 7.313 ( 0.000 0.000 8.202) 8.202 7.687 ( 0.000 0.000 -9.043) 9.043 7.838 ( 0.000 0.000 -1.128) 1.128 7.868 ( 0.000 0.000 -0.990) 0.990 7.898 ( 0.000 0.000 -1.417) 1.417 7.971 ( 0.000 0.000 0.706) 0.706 7.989 ( 0.000 0.000 0.351) 0.351 8.368 ( 0.000 0.000 -4.481) 4.481 8.474 ( 0.000 0.000 2.203) 2.203 9.750 ( 0.000 0.000 -20.012) 20.012 11.547 ( 0.000 0.000 1.372) 1.372 11.659 ( 0.000 0.000 0.599) 0.599 11.681 ( 0.000 0.000 0.255) 0.255 11.711 ( 0.000 0.000 -2.043) 2.043 12.224 ( 0.000 0.000 0.361) 0.361 12.235 ( 0.000 0.000 0.273) 0.273 13.343 ( 0.000 0.000 4.092) 4.092 13.584 ( 0.000 0.000 -5.407) 5.407 14.128 ( 0.000 0.000 2.684) 2.684 14.285 ( 0.000 0.000 0.058) 0.058 14.491 ( 0.000 0.000 -0.124) 0.124 14.696 ( 0.000 0.000 -1.584) 1.584 17.137 ( 0.000 0.000 3.387) 3.387 17.141 ( 0.000 0.000 4.465) 4.465 17.454 ( 0.000 0.000 -3.229) 3.229 17.569 ( 0.000 0.000 -4.133) 4.133 17.698 ( 0.000 0.000 -0.777) 0.777 17.725 ( 0.000 0.000 -1.438) 1.438 18.175 ( 0.000 0.000 1.692) 1.692 18.222 ( 0.000 0.000 -0.120) 0.120 18.937 ( 0.000 0.000 1.124) 1.124 18.943 ( 0.000 0.000 -0.791) 0.791 19.110 ( 0.000 0.000 2.659) 2.659 19.327 ( 0.000 0.000 -2.331) 2.331 29.036 ( 0.000 0.000 2.253) 2.253 29.047 ( 0.000 0.000 1.496) 1.496 29.593 ( 0.000 0.000 -0.858) 0.858 29.649 ( 0.000 0.000 0.917) 0.917 29.879 ( 0.000 0.000 -1.456) 1.456 29.909 ( 0.000 0.000 0.421) 0.421 30.165 ( 0.000 0.000 -0.263) 0.263 30.363 ( 0.000 0.000 -4.028) 4.028 33.036 ( 0.000 0.000 -0.603) 0.603 33.203 ( 0.000 0.000 -8.920) 8.920 34.482 ( 0.000 0.000 10.498) 10.498 34.697 ( 0.000 0.000 3.674) 3.674 34.792 ( 0.000 0.000 15.203) 15.203 35.565 ( 0.000 0.000 -4.885) 4.885 36.500 ( 0.000 0.000 -4.027) 4.027 36.541 ( 0.000 0.000 -6.658) 6.658 ======================= Grid point 99 (34/80) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.015 ( 7.002 0.000 14.318) 15.938 1.342 ( 6.493 0.000 -3.105) 7.197 1.933 ( 34.779 0.000 30.320) 46.140 2.261 ( 9.279 0.000 6.128) 11.120 2.415 ( 11.156 0.000 2.853) 11.515 2.632 ( 33.980 0.000 23.851) 41.515 2.663 ( 4.765 0.000 10.277) 11.328 2.863 ( 3.239 0.000 8.300) 8.910 3.092 ( 15.048 0.000 44.337) 46.821 3.167 ( -5.999 0.000 -5.891) 8.408 3.467 ( 2.420 0.000 8.190) 8.540 3.471 ( 2.850 0.000 18.033) 18.257 3.676 ( 2.482 0.000 -3.232) 4.075 3.840 ( 12.357 0.000 4.155) 13.036 4.106 ( 1.564 0.000 9.928) 10.050 4.328 ( -4.304 0.000 -12.681) 13.392 4.503 ( -1.701 0.000 -3.257) 3.675 4.566 ( -2.086 0.000 -6.321) 6.656 4.624 ( -1.752 0.000 -11.409) 11.543 4.782 ( -5.219 0.000 1.839) 5.533 5.052 ( 13.423 0.000 -10.995) 17.351 5.141 ( -7.359 0.000 2.171) 7.672 5.442 ( 0.058 0.000 5.585) 5.585 5.514 ( -4.019 0.000 4.452) 5.998 5.596 ( -1.030 0.000 2.303) 2.523 5.639 ( -6.672 0.000 4.824) 8.233 5.819 ( -0.964 0.000 6.316) 6.389 5.984 ( 3.513 0.000 3.682) 5.089 6.302 ( -2.342 0.000 -2.797) 3.647 6.424 ( -6.073 0.000 -9.339) 11.140 6.553 ( -4.647 0.000 -3.451) 5.788 6.913 ( 3.321 0.000 0.576) 3.371 7.123 ( -4.064 0.000 2.770) 4.918 7.191 ( -0.320 0.000 -3.483) 3.498 7.304 ( -1.933 0.000 1.277) 2.317 7.691 ( 0.288 0.000 -7.721) 7.726 7.787 ( -4.273 0.000 -2.216) 4.814 7.868 ( 0.088 0.000 -0.967) 0.971 7.895 ( -0.285 0.000 -1.346) 1.376 7.973 ( 0.187 0.000 0.647) 0.673 7.988 ( -0.061 0.000 0.352) 0.358 8.236 ( -13.625 0.000 -6.149) 14.949 8.389 ( -6.874 0.000 4.748) 8.355 9.101 ( -39.395 0.000 7.970) 40.193 11.595 ( 4.637 0.000 1.141) 4.775 11.746 ( 3.317 0.000 -2.025) 3.886 11.799 ( 11.295 0.000 0.968) 11.336 12.184 ( -3.655 0.000 0.653) 3.713 12.209 ( -2.635 0.000 0.132) 2.638 12.294 ( 39.262 0.000 -23.248) 45.629 13.251 ( -7.899 0.000 2.503) 8.286 13.590 ( -0.308 0.000 -7.632) 7.638 14.138 ( 1.029 0.000 2.176) 2.407 14.262 ( -1.990 0.000 0.328) 2.017 14.465 ( -2.168 0.000 0.111) 2.171 14.659 ( -3.545 0.000 -1.602) 3.890 17.140 ( 0.196 0.000 3.452) 3.457 17.142 ( 0.128 0.000 4.292) 4.294 17.459 ( 0.493 0.000 -3.233) 3.271 17.559 ( -0.951 0.000 -4.030) 4.141 17.738 ( 3.221 0.000 -1.055) 3.389 17.802 ( 6.554 0.000 -2.272) 6.937 18.153 ( -1.943 0.000 1.172) 2.269 18.218 ( -0.517 0.000 0.036) 0.518 18.937 ( -0.044 0.000 0.407) 0.410 18.950 ( 0.375 0.000 -1.302) 1.355 19.124 ( 1.558 0.000 3.484) 3.816 19.312 ( -1.349 0.000 -0.465) 1.427 29.038 ( 0.110 0.000 2.184) 2.186 29.047 ( -0.014 0.000 1.539) 1.539 29.580 ( -0.858 0.000 0.350) 0.926 29.640 ( -0.882 0.000 1.072) 1.388 29.877 ( -0.079 0.000 -1.422) 1.424 29.908 ( -0.227 0.000 0.007) 0.227 30.175 ( 0.954 0.000 -0.465) 1.061 30.346 ( -1.640 0.000 -3.721) 4.066 33.070 ( 3.125 0.000 -0.347) 3.144 33.233 ( 2.668 0.000 -6.934) 7.429 34.227 ( -17.311 0.000 12.422) 21.306 34.560 ( -11.006 0.000 15.283) 18.834 34.902 ( 7.814 0.000 7.730) 10.991 35.541 ( -3.450 0.000 -5.051) 6.117 36.561 ( 4.491 0.000 -7.228) 8.509 36.638 ( 7.301 0.000 -7.977) 10.814 ======================= Grid point 100 (35/80) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 8.939 0.000 14.494) 17.029 1.405 ( -0.334 0.000 5.159) 5.169 2.471 ( 9.154 0.000 2.769) 9.564 2.562 ( 25.357 0.000 27.827) 37.647 2.669 ( 10.011 0.000 -1.176) 10.080 2.770 ( 4.286 0.000 7.349) 8.508 2.896 ( -3.292 0.000 2.428) 4.090 3.142 ( 4.389 0.000 7.886) 9.025 3.158 ( 12.799 0.000 3.029) 13.153 3.530 ( 13.281 0.000 17.400) 21.890 3.568 ( 7.727 0.000 7.548) 10.802 3.699 ( 37.764 0.000 31.263) 49.026 3.717 ( 0.682 0.000 0.818) 1.065 3.972 ( -1.864 0.000 0.618) 1.963 4.128 ( -16.551 0.000 -10.852) 19.791 4.412 ( 31.552 0.000 8.955) 32.798 4.443 ( -4.771 0.000 -9.219) 10.381 4.555 ( -4.202 0.000 -13.945) 14.564 4.618 ( 4.451 0.000 -3.249) 5.510 4.714 ( 0.759 0.000 6.611) 6.654 4.974 ( -8.528 0.000 1.406) 8.643 5.150 ( -1.641 0.000 6.429) 6.635 5.409 ( -10.465 0.000 8.567) 13.524 5.445 ( -7.994 0.000 -1.852) 8.206 5.458 ( 1.767 0.000 4.481) 4.816 5.562 ( -2.279 0.000 2.434) 3.335 5.846 ( -15.583 0.000 -9.572) 18.288 5.915 ( -0.315 0.000 0.963) 1.013 6.069 ( -10.567 0.000 -5.450) 11.890 6.372 ( -4.984 0.000 -2.709) 5.672 6.611 ( 11.645 0.000 3.100) 12.051 6.926 ( -1.074 0.000 0.613) 1.236 7.005 ( -3.860 0.000 2.748) 4.738 7.161 ( -5.798 0.000 2.022) 6.140 7.356 ( 8.226 0.000 -0.588) 8.247 7.695 ( -4.867 0.000 -1.864) 5.212 7.701 ( 1.079 0.000 -6.034) 6.130 7.872 ( 0.261 0.000 -0.964) 0.999 7.887 ( -0.430 0.000 -1.194) 1.269 7.950 ( -10.431 0.000 -0.646) 10.451 7.977 ( 0.258 0.000 0.532) 0.591 7.986 ( -0.148 0.000 0.372) 0.400 8.236 ( -7.109 0.000 3.013) 7.721 8.508 ( -21.385 0.000 7.424) 22.637 11.719 ( 7.182 0.000 0.459) 7.197 11.831 ( 4.426 0.000 -2.109) 4.903 12.089 ( -5.226 0.000 1.287) 5.382 12.107 ( 18.421 0.000 2.512) 18.592 12.132 ( -4.751 0.000 0.144) 4.754 12.759 ( -0.331 0.000 -6.627) 6.636 13.173 ( 7.541 0.000 -17.396) 18.960 13.547 ( -4.332 0.000 -13.283) 13.972 14.168 ( 1.784 0.000 1.084) 2.087 14.223 ( -1.585 0.000 0.719) 1.741 14.430 ( -0.591 0.000 0.080) 0.597 14.564 ( -5.482 0.000 -1.502) 5.684 17.144 ( 0.194 0.000 3.636) 3.641 17.145 ( 0.128 0.000 3.893) 3.895 17.475 ( 1.070 0.000 -3.294) 3.463 17.533 ( -1.526 0.000 -3.771) 4.068 17.817 ( 4.377 0.000 -0.759) 4.443 17.913 ( 2.953 0.000 -2.001) 3.567 18.119 ( -0.451 0.000 0.295) 0.538 18.197 ( -1.670 0.000 -0.031) 1.671 18.934 ( -0.129 0.000 -0.876) 0.886 18.948 ( -0.519 0.000 -1.685) 1.763 19.174 ( 3.139 0.000 4.557) 5.534 19.279 ( -1.858 0.000 2.655) 3.241 29.040 ( 0.172 0.000 2.016) 2.023 29.046 ( -0.075 0.000 1.655) 1.657 29.573 ( 0.282 0.000 1.479) 1.505 29.617 ( -1.365 0.000 1.390) 1.948 29.878 ( 0.239 0.000 -1.420) 1.440 29.899 ( -0.558 0.000 -0.722) 0.912 30.204 ( 1.884 0.000 -1.050) 2.157 30.302 ( -2.570 0.000 -2.925) 3.893 33.149 ( 4.477 0.000 0.696) 4.531 33.278 ( 0.624 0.000 -1.487) 1.612 33.992 ( -4.011 0.000 11.075) 11.779 34.308 ( -13.307 0.000 11.398) 17.521 35.073 ( 9.046 0.000 6.211) 10.974 35.427 ( -7.393 0.000 -1.391) 7.523 36.658 ( 4.683 0.000 -7.469) 8.816 36.739 ( 2.158 0.000 -9.174) 9.424 ======================= Grid point 101 (36/80) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -5.828 0.000 11.977) 13.320 1.340 ( 5.828 0.000 11.977) 13.320 2.647 ( -8.255 0.000 -2.242) 8.554 2.647 ( 8.255 0.000 -2.242) 8.554 2.836 ( -2.641 0.000 6.006) 6.561 2.836 ( 2.641 0.000 6.006) 6.561 2.972 ( -15.900 0.000 22.055) 27.189 2.972 ( 15.900 0.000 22.055) 27.189 3.589 ( -19.984 0.000 3.433) 20.276 3.589 ( 19.984 0.000 3.433) 20.276 3.752 ( -11.914 0.000 0.880) 11.946 3.752 ( 11.914 0.000 0.880) 11.946 3.793 ( -11.389 0.000 6.244) 12.988 3.793 ( 11.389 0.000 6.244) 12.988 4.439 ( -4.662 0.000 -14.436) 15.170 4.439 ( 4.662 0.000 -14.436) 15.170 4.484 ( -25.487 0.000 8.294) 26.803 4.484 ( 25.487 0.000 8.294) 26.803 4.812 ( -7.271 0.000 3.124) 7.914 4.812 ( 7.271 0.000 3.124) 7.914 5.028 ( -17.927 0.000 8.861) 19.997 5.028 ( 17.927 0.000 8.861) 19.997 5.296 ( -15.068 0.000 0.787) 15.088 5.296 ( 15.068 0.000 0.787) 15.088 5.508 ( -2.888 0.000 3.171) 4.289 5.508 ( 2.888 0.000 3.171) 4.289 5.592 ( -8.055 0.000 -2.599) 8.464 5.592 ( 8.055 0.000 -2.599) 8.464 6.232 ( -10.049 0.000 -2.450) 10.343 6.232 ( 10.049 0.000 -2.450) 10.343 6.822 ( -8.454 0.000 3.372) 9.102 6.822 ( 8.454 0.000 3.372) 9.102 7.042 ( -5.477 0.000 -3.119) 6.303 7.042 ( 5.477 0.000 -3.119) 6.303 7.546 ( -9.240 0.000 4.249) 10.170 7.546 ( 9.240 0.000 4.249) 10.170 7.793 ( -7.279 0.000 -2.186) 7.600 7.793 ( 7.279 0.000 -2.186) 7.600 7.879 ( -0.409 0.000 -1.047) 1.124 7.879 ( 0.409 0.000 -1.047) 1.124 7.982 ( -0.229 0.000 0.432) 0.489 7.982 ( 0.229 0.000 0.432) 0.489 8.211 ( -7.030 0.000 0.434) 7.043 8.211 ( 7.030 0.000 0.434) 7.043 11.851 ( -4.337 0.000 -1.169) 4.491 11.851 ( 4.337 0.000 -1.169) 4.491 12.043 ( -2.594 0.000 1.030) 2.791 12.043 ( 2.594 0.000 1.030) 2.791 12.495 ( -18.763 0.000 3.468) 19.080 12.495 ( 18.763 0.000 3.468) 19.080 13.404 ( -10.117 0.000 -20.489) 22.850 13.404 ( 10.117 0.000 -20.489) 22.850 14.198 ( -1.126 0.000 0.693) 1.322 14.198 ( 1.126 0.000 0.693) 1.322 14.462 ( -3.879 0.000 -0.809) 3.962 14.462 ( 3.879 0.000 -0.809) 3.962 17.146 ( -0.041 0.000 3.711) 3.711 17.146 ( 0.041 0.000 3.711) 3.711 17.502 ( -1.528 0.000 -3.483) 3.803 17.502 ( 1.528 0.000 -3.483) 3.803 17.900 ( -3.310 0.000 -0.816) 3.409 17.900 ( 3.310 0.000 -0.816) 3.409 18.151 ( -2.667 0.000 -0.262) 2.680 18.151 ( 2.667 0.000 -0.262) 2.680 18.937 ( -0.431 0.000 -1.549) 1.608 18.937 ( 0.431 0.000 -1.549) 1.608 19.235 ( -2.650 0.000 4.457) 5.185 19.235 ( 2.650 0.000 4.457) 5.185 29.044 ( -0.151 0.000 1.823) 1.829 29.044 ( 0.151 0.000 1.823) 1.829 29.589 ( -1.220 0.000 1.636) 2.041 29.589 ( 1.220 0.000 1.636) 2.041 29.887 ( -0.592 0.000 -1.253) 1.386 29.887 ( 0.592 0.000 -1.253) 1.386 30.249 ( -2.560 0.000 -1.935) 3.209 30.249 ( 2.560 0.000 -1.935) 3.209 33.238 ( -3.921 0.000 1.769) 4.301 33.238 ( 3.921 0.000 1.769) 4.301 34.064 ( -9.590 0.000 8.168) 12.598 34.064 ( 9.590 0.000 8.168) 12.598 35.258 ( -9.057 0.000 3.042) 9.554 35.258 ( 9.057 0.000 3.042) 9.554 36.733 ( -2.388 0.000 -8.119) 8.463 36.733 ( 2.388 0.000 -8.119) 8.463 ======================= Grid point 105 (37/80) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 7.115 25.193) 26.178 1.633 ( 0.000 46.672 6.654) 47.144 1.672 ( 0.000 19.880 11.774) 23.105 2.106 ( 0.000 -5.089 22.519) 23.087 2.365 ( 0.000 14.108 7.683) 16.064 2.381 ( 0.000 2.504 17.004) 17.187 2.834 ( 0.000 19.380 13.474) 23.603 2.858 ( 0.000 3.987 11.698) 12.359 3.075 ( 0.000 11.906 37.801) 39.632 3.268 ( 0.000 3.294 -2.644) 4.224 3.472 ( 0.000 2.218 13.261) 13.446 3.477 ( 0.000 4.596 8.475) 9.641 3.564 ( 0.000 -2.768 -4.052) 4.907 3.935 ( 0.000 12.926 -4.157) 13.578 4.015 ( 0.000 -6.477 16.685) 17.898 4.326 ( 0.000 -2.850 -2.738) 3.952 4.604 ( 0.000 5.085 -15.047) 15.883 4.676 ( 0.000 8.021 -2.359) 8.361 4.746 ( 0.000 1.747 -13.665) 13.776 4.777 ( 0.000 4.466 -9.267) 10.287 4.946 ( 0.000 7.277 -2.280) 7.625 5.236 ( 0.000 1.284 1.831) 2.236 5.408 ( 0.000 -2.002 7.465) 7.729 5.564 ( 0.000 -3.121 1.126) 3.317 5.635 ( 0.000 5.106 4.490) 6.799 5.734 ( 0.000 1.363 4.102) 4.323 5.849 ( 0.000 4.791 14.227) 15.012 5.995 ( 0.000 4.482 0.630) 4.526 6.331 ( 0.000 3.437 -2.280) 4.124 6.543 ( 0.000 0.231 -11.433) 11.435 6.638 ( 0.000 1.651 -3.942) 4.274 6.862 ( 0.000 2.356 1.373) 2.727 7.133 ( 0.000 1.986 -8.943) 9.161 7.254 ( 0.000 -4.717 5.543) 7.279 7.271 ( 0.000 0.705 -1.339) 1.513 7.654 ( 0.000 -17.986 3.829) 18.389 7.687 ( 0.000 -0.350 -7.644) 7.652 7.835 ( 0.000 -0.170 -0.527) 0.554 7.885 ( 0.000 -0.194 1.545) 1.557 7.898 ( 0.000 -5.502 -0.010) 5.502 7.961 ( 0.000 -0.306 -0.319) 0.442 8.396 ( 0.000 0.597 -3.473) 3.524 8.472 ( 0.000 -0.394 3.061) 3.086 9.758 ( 0.000 -4.001 -16.380) 16.861 11.503 ( 0.000 -3.038 1.092) 3.228 11.590 ( 0.000 -4.227 -0.319) 4.239 11.728 ( 0.000 3.398 0.441) 3.427 11.770 ( 0.000 3.303 -0.904) 3.425 12.226 ( 0.000 0.189 0.171) 0.255 12.234 ( 0.000 -0.014 0.144) 0.145 13.340 ( 0.000 0.072 5.197) 5.197 13.583 ( 0.000 -0.301 -4.669) 4.679 14.115 ( 0.000 -1.079 2.467) 2.693 14.253 ( 0.000 -2.374 0.039) 2.374 14.474 ( 0.000 -1.336 0.714) 1.515 14.670 ( 0.000 -2.440 -1.531) 2.881 17.144 ( 0.000 0.673 3.029) 3.103 17.155 ( 0.000 1.369 3.047) 3.341 17.458 ( 0.000 -0.089 -3.716) 3.717 17.548 ( 0.000 -1.965 -4.075) 4.524 17.702 ( 0.000 0.347 -0.842) 0.911 17.731 ( 0.000 0.425 -1.194) 1.267 18.178 ( 0.000 0.223 1.650) 1.665 18.218 ( 0.000 -0.345 0.108) 0.362 18.939 ( 0.000 0.428 1.334) 1.401 18.957 ( 0.000 1.299 -0.620) 1.440 19.106 ( 0.000 -0.335 2.236) 2.261 19.255 ( 0.000 -5.224 0.279) 5.231 29.086 ( 0.000 3.450 0.013) 3.450 29.215 ( 0.000 9.368 -7.009) 11.700 29.621 ( 0.000 -1.745 1.537) 2.326 29.672 ( 0.000 4.978 -6.572) 8.245 29.932 ( 0.000 4.967 -0.880) 5.044 29.997 ( 0.000 11.965 -2.433) 12.209 30.246 ( 0.000 7.295 -1.191) 7.391 30.494 ( 0.000 10.975 -5.843) 12.433 33.055 ( 0.000 1.769 -0.335) 1.801 33.185 ( 0.000 -1.541 -7.906) 8.055 34.483 ( 0.000 0.245 11.933) 11.936 34.697 ( 0.000 0.076 4.477) 4.478 34.781 ( 0.000 -0.950 14.560) 14.591 35.573 ( 0.000 0.242 -2.817) 2.828 36.133 ( 0.000 -29.273 8.464) 30.472 36.469 ( 0.000 -6.668 -7.283) 9.874 ======================= Grid point 106 (38/80) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.037 46.056 6.699) 46.813 1.750 ( 14.004 24.532 -0.723) 28.257 1.938 ( 26.979 2.341 26.613) 37.968 2.307 ( 16.116 3.660 11.939) 20.387 2.513 ( 14.611 8.029 5.109) 17.437 2.661 ( 24.957 1.948 16.088) 29.757 2.786 ( -0.726 11.651 17.937) 21.401 2.937 ( 7.549 6.634 8.723) 13.307 3.216 ( 9.563 12.066 27.645) 31.643 3.253 ( 0.317 8.323 -0.638) 8.353 3.425 ( -0.625 -1.827 12.405) 12.555 3.496 ( 2.091 2.892 10.514) 11.103 3.728 ( 13.953 -0.876 2.347) 14.176 3.883 ( -1.713 2.940 3.373) 4.791 4.066 ( 0.649 0.530 6.697) 6.750 4.338 ( -0.610 -0.834 -7.994) 8.061 4.564 ( -0.095 6.680 -6.552) 9.357 4.597 ( -2.514 3.106 -4.128) 5.745 4.684 ( -3.216 4.576 -9.396) 10.934 4.806 ( -5.665 3.509 -2.101) 6.987 5.075 ( 7.959 1.561 -5.897) 10.028 5.190 ( -3.693 5.224 0.893) 6.460 5.411 ( 0.014 -1.655 6.098) 6.319 5.526 ( -0.504 -0.212 2.802) 2.855 5.587 ( -5.068 2.368 3.087) 6.389 5.706 ( -2.752 5.639 2.020) 6.592 5.889 ( 0.088 5.494 5.757) 7.958 6.006 ( 2.693 2.252 3.209) 4.756 6.338 ( -1.837 3.273 -2.467) 4.491 6.431 ( -6.926 0.737 -10.004) 12.190 6.578 ( -4.214 2.332 -3.560) 5.989 6.915 ( 2.276 0.089 0.226) 2.289 7.115 ( -6.277 -0.779 5.264) 8.229 7.188 ( 1.731 0.318 -4.851) 5.161 7.278 ( -2.242 -1.664 -0.067) 2.792 7.615 ( -3.718 -16.307 4.076) 17.215 7.692 ( 0.571 -0.089 -6.909) 6.933 7.812 ( -1.448 -1.122 -1.976) 2.695 7.871 ( -1.055 -1.413 0.814) 1.942 7.897 ( -0.302 -4.713 -0.196) 4.727 7.958 ( -0.108 -0.842 0.220) 0.877 8.305 ( -9.111 1.585 -6.034) 11.043 8.398 ( -6.052 0.480 5.512) 8.199 9.207 ( -36.528 4.587 3.417) 36.973 11.571 ( 6.108 -1.832 1.078) 6.468 11.741 ( 4.312 -0.697 -2.331) 4.951 11.831 ( 10.270 2.599 0.915) 10.633 12.175 ( 3.675 -1.907 -2.781) 4.988 12.208 ( -1.575 -0.321 -0.465) 1.673 12.228 ( 28.191 -4.527 -13.674) 31.658 13.244 ( -8.630 -0.131 4.398) 9.687 13.578 ( -1.167 -1.227 -6.659) 6.871 14.125 ( 1.104 -1.015 2.092) 2.573 14.236 ( -1.433 -1.847 0.224) 2.348 14.449 ( -2.141 -1.321 0.538) 2.573 14.632 ( -3.656 -2.545 -1.561) 4.720 17.146 ( 0.211 0.684 3.023) 3.107 17.154 ( -0.065 1.223 3.182) 3.410 17.451 ( -0.324 -0.893 -3.289) 3.423 17.536 ( -1.124 -2.116 -3.988) 4.653 17.744 ( 3.431 0.492 -0.951) 3.595 17.803 ( 6.252 0.001 -1.710) 6.482 18.155 ( -2.000 0.191 1.245) 2.364 18.214 ( -0.563 -0.392 0.285) 0.742 18.940 ( 0.126 0.371 0.817) 0.906 18.963 ( 0.253 1.161 -1.089) 1.612 19.108 ( 0.481 -1.195 3.111) 3.367 19.244 ( -1.059 -5.059 1.315) 5.333 29.091 ( 0.468 3.809 -0.178) 3.842 29.204 ( -1.161 9.653 -6.363) 11.620 29.611 ( -1.028 -1.475 1.144) 2.131 29.642 ( -2.274 4.018 -3.477) 5.780 29.931 ( -0.084 5.098 -0.692) 5.145 29.982 ( -1.198 9.991 -0.920) 10.105 30.255 ( 0.941 6.789 -0.975) 6.923 30.472 ( -2.124 10.543 -5.396) 12.032 33.090 ( 3.255 1.866 -0.104) 3.753 33.225 ( 3.674 -0.517 -5.797) 6.883 34.228 ( -17.618 0.194 13.328) 22.092 34.542 ( -11.917 -1.752 16.497) 20.426 34.900 ( 8.457 -0.018 7.344) 11.201 35.563 ( -2.960 2.278 -5.286) 6.472 36.301 ( 12.565 -25.347 0.214) 28.291 36.510 ( 3.550 -7.894 -6.843) 11.034 ======================= Grid point 107 (39/80) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 6.539 43.655 8.057) 44.871 1.926 ( 3.892 37.494 3.484) 37.856 2.418 ( 19.302 -2.315 13.560) 23.703 2.668 ( 9.099 6.788 15.709) 19.382 2.711 ( 9.905 3.805 1.564) 10.725 2.891 ( 3.996 9.670 8.284) 13.345 2.984 ( 5.611 7.324 3.694) 9.939 3.174 ( 2.551 3.764 5.451) 7.099 3.220 ( 10.834 5.860 3.582) 12.827 3.478 ( 9.733 -3.480 10.419) 14.677 3.595 ( 8.400 1.959 8.775) 12.305 3.707 ( 23.162 2.803 21.099) 31.457 3.844 ( 10.218 4.500 8.620) 14.106 3.953 ( -4.239 2.640 1.652) 5.260 4.127 ( -3.465 -1.453 -6.313) 7.347 4.352 ( 16.634 -0.821 3.341) 16.987 4.488 ( -5.068 0.707 -5.859) 7.779 4.587 ( -2.630 1.068 -6.571) 7.158 4.692 ( 6.123 7.961 -6.128) 11.765 4.751 ( 3.404 5.082 6.704) 9.075 5.090 ( -6.405 6.936 2.557) 9.782 5.129 ( 0.469 1.283 1.153) 1.788 5.366 ( -7.699 -1.847 5.728) 9.772 5.436 ( -6.448 1.664 2.372) 7.069 5.493 ( -4.035 1.580 5.659) 7.128 5.660 ( -3.120 7.996 -1.542) 8.721 5.874 ( -15.447 2.655 -8.795) 17.972 5.958 ( -2.578 3.620 0.455) 4.467 6.118 ( -6.951 5.056 -5.373) 10.137 6.408 ( -3.036 3.321 -2.641) 5.218 6.616 ( 10.533 0.453 2.916) 10.939 6.918 ( -0.880 -1.107 0.192) 1.427 7.001 ( -3.765 -0.017 3.070) 4.858 7.144 ( -6.508 -1.651 1.674) 6.920 7.309 ( 5.934 -3.170 -0.441) 6.742 7.537 ( -3.591 -11.415 3.094) 12.360 7.713 ( 1.864 1.002 -4.364) 4.850 7.801 ( 0.227 -2.163 -3.053) 3.749 7.852 ( -0.719 -4.274 -0.839) 4.415 7.884 ( -1.072 -3.323 -1.554) 3.822 7.958 ( 0.166 -0.733 1.306) 1.507 8.111 ( -7.799 3.013 -2.395) 8.697 8.264 ( -5.850 1.592 3.681) 7.092 8.602 ( -23.280 5.806 7.090) 25.019 11.717 ( 7.879 -0.044 0.452) 7.893 11.834 ( 4.733 0.277 -2.022) 5.154 12.086 ( -5.441 -0.260 1.005) 5.539 12.124 ( 8.757 0.987 1.122) 8.884 12.133 ( 4.668 0.624 1.193) 4.858 12.749 ( 6.335 -1.719 -9.777) 11.776 13.098 ( 2.515 -6.034 -9.159) 11.252 13.512 ( -5.781 -3.449 -11.718) 13.514 14.158 ( 1.966 -0.801 1.247) 2.462 14.209 ( -1.026 -0.813 0.513) 1.406 14.411 ( -0.998 -1.738 0.019) 2.004 14.535 ( -5.533 -2.697 -1.526) 6.341 17.150 ( 0.193 0.695 3.029) 3.114 17.154 ( -0.018 0.937 3.230) 3.363 17.453 ( 0.605 -1.942 -3.186) 3.780 17.507 ( -1.655 -2.395 -3.765) 4.760 17.828 ( 4.617 0.926 -0.532) 4.739 17.918 ( 3.603 0.327 -1.464) 3.903 18.116 ( -0.992 -0.338 0.685) 1.252 18.191 ( -1.827 -0.639 0.299) 1.958 18.942 ( 0.120 0.743 -0.568) 0.943 18.960 ( -0.524 1.065 -1.516) 1.926 19.134 ( 2.030 -3.279 4.584) 5.990 19.217 ( -1.591 -4.875 3.287) 6.091 29.105 ( 1.032 4.961 -0.809) 5.132 29.171 ( -1.947 9.050 -4.295) 10.205 29.586 ( -0.836 -0.212 0.743) 1.138 29.607 ( -1.283 0.682 0.518) 1.543 29.931 ( 0.205 5.396 -0.312) 5.408 29.958 ( -1.073 7.315 0.138) 7.395 30.287 ( 2.311 6.851 -1.407) 7.366 30.414 ( -3.384 9.280 -4.070) 10.683 33.174 ( 4.813 2.399 1.295) 5.532 33.296 ( 1.940 2.017 -0.323) 2.817 33.975 ( -5.277 -1.580 11.919) 13.130 34.278 ( -13.645 -2.883 12.303) 18.597 35.085 ( 9.684 1.317 5.617) 11.273 35.453 ( -7.438 2.675 -2.119) 8.184 36.507 ( 7.038 -16.965 -6.444) 19.464 36.580 ( 2.595 -10.901 -6.631) 13.020 ======================= Grid point 108 (40/80) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -3.709 42.171 7.843) 43.054 1.921 ( 3.709 42.171 7.843) 43.054 2.707 ( -9.788 4.550 -1.163) 10.856 2.707 ( 9.788 4.550 -1.163) 10.856 2.825 ( -6.198 0.062 13.982) 15.294 2.825 ( 6.198 0.062 13.982) 15.294 3.095 ( -5.617 9.826 12.280) 16.700 3.095 ( 5.617 9.826 12.280) 16.700 3.579 ( -14.705 -1.010 2.378) 14.930 3.579 ( 14.705 -1.010 2.378) 14.930 3.763 ( -8.987 0.397 -0.399) 9.004 3.763 ( 8.987 0.397 -0.399) 9.004 3.825 ( -8.869 3.986 9.747) 13.768 3.825 ( 8.869 3.986 9.747) 13.768 4.365 ( -11.233 -3.720 -8.164) 14.376 4.365 ( 11.233 -3.720 -8.164) 14.376 4.608 ( -11.996 8.180 0.959) 14.551 4.608 ( 11.996 8.180 0.959) 14.551 4.870 ( -5.890 5.436 5.478) 9.708 4.870 ( 5.890 5.436 5.478) 9.708 5.026 ( -13.757 0.249 8.552) 16.200 5.026 ( 13.757 0.249 8.552) 16.200 5.339 ( -12.831 1.707 0.798) 12.969 5.339 ( 12.831 1.707 0.798) 12.969 5.444 ( -7.164 0.359 -1.576) 7.344 5.444 ( 7.164 0.359 -1.576) 7.344 5.705 ( -4.715 7.108 -1.474) 8.656 5.705 ( 4.715 7.108 -1.474) 8.656 6.288 ( -9.527 5.566 -2.264) 11.263 6.288 ( 9.527 5.566 -2.264) 11.263 6.819 ( -8.492 -0.511 3.087) 9.050 6.819 ( 8.492 -0.511 3.087) 9.050 7.027 ( -5.085 -1.060 -2.732) 5.869 7.027 ( 5.085 -1.060 -2.732) 5.869 7.442 ( -6.318 -7.414 4.243) 10.625 7.442 ( 6.318 -7.414 4.243) 10.625 7.779 ( -3.492 0.586 -2.004) 4.069 7.779 ( 3.492 0.586 -2.004) 4.069 7.854 ( -1.253 -5.854 -2.968) 6.682 7.854 ( 1.253 -5.854 -2.968) 6.682 7.993 ( -4.143 2.104 2.389) 5.224 7.993 ( 4.143 2.104 2.389) 5.224 8.272 ( -8.608 3.397 1.628) 9.397 8.272 ( 8.608 3.397 1.628) 9.397 11.859 ( -4.607 0.765 -1.105) 4.799 11.859 ( 4.607 0.765 -1.105) 4.799 12.036 ( -2.785 -0.675 0.786) 2.972 12.036 ( 2.785 -0.675 0.786) 2.972 12.517 ( -18.915 2.177 3.291) 19.322 12.517 ( 18.915 2.177 3.291) 19.322 13.334 ( -12.095 -6.713 -17.789) 22.535 13.334 ( 12.095 -6.713 -17.789) 22.535 14.191 ( -1.108 -0.412 0.706) 1.377 14.191 ( 1.108 -0.412 0.706) 1.377 14.435 ( -3.591 -2.516 -0.927) 4.481 14.435 ( 3.591 -2.516 -0.927) 4.481 17.153 ( -0.059 0.747 3.114) 3.203 17.153 ( 0.059 0.747 3.114) 3.203 17.474 ( -1.424 -2.430 -3.444) 4.449 17.474 ( 1.424 -2.430 -3.444) 4.449 17.913 ( -3.276 1.224 -0.483) 3.530 17.913 ( 3.276 1.224 -0.483) 3.530 18.142 ( -2.738 -0.975 0.192) 2.913 18.142 ( 2.738 -0.975 0.192) 2.913 18.948 ( -0.510 1.030 -1.375) 1.792 18.948 ( 0.510 1.030 -1.375) 1.792 19.179 ( -2.161 -4.561 4.653) 6.865 19.179 ( 2.161 -4.561 4.653) 6.865 29.133 ( -1.677 6.944 -2.111) 7.449 29.133 ( 1.677 6.944 -2.111) 7.449 29.586 ( -0.665 -0.234 1.113) 1.318 29.586 ( 0.665 -0.234 1.113) 1.318 29.940 ( -0.677 5.969 0.051) 6.008 29.940 ( 0.677 5.969 0.051) 6.008 30.345 ( -3.301 7.845 -2.554) 8.887 30.345 ( 3.301 7.845 -2.554) 8.887 33.269 ( -4.021 3.152 2.974) 5.912 33.269 ( 4.021 3.152 2.974) 5.912 34.032 ( -9.420 -3.151 8.791) 13.265 34.032 ( 9.420 -3.151 8.791) 13.265 35.280 ( -9.435 2.310 2.262) 9.973 35.280 ( 9.435 2.310 2.262) 9.973 36.592 ( -1.677 -12.873 -7.108) 14.801 36.592 ( 1.677 -12.873 -7.108) 14.801 ======================= Grid point 112 (41/80) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 8.431 27.711) 28.965 1.970 ( 0.000 8.925 11.827) 14.817 2.025 ( 0.000 -3.097 23.253) 23.458 2.317 ( 0.000 -1.673 14.875) 14.969 2.456 ( 0.000 24.253 16.482) 29.324 2.621 ( 0.000 9.185 9.660) 13.329 2.968 ( 0.000 5.388 10.488) 11.791 3.255 ( 0.000 14.266 9.285) 17.021 3.316 ( 0.000 -0.636 10.591) 10.610 3.344 ( 0.000 6.897 9.041) 11.371 3.537 ( 0.000 0.893 -3.758) 3.863 3.599 ( 0.000 14.010 19.229) 23.791 3.678 ( 0.000 15.531 -6.408) 16.801 3.857 ( 0.000 -8.130 11.155) 13.803 4.105 ( 0.000 3.631 -7.492) 8.325 4.260 ( 0.000 -2.925 -3.305) 4.413 4.727 ( 0.000 4.260 -6.467) 7.744 4.781 ( 0.000 1.022 -12.360) 12.402 4.904 ( 0.000 9.549 -2.751) 9.938 4.937 ( 0.000 8.165 -5.082) 9.617 5.111 ( 0.000 12.359 3.811) 12.933 5.332 ( 0.000 9.964 2.051) 10.173 5.406 ( 0.000 1.806 5.854) 6.126 5.513 ( 0.000 -1.223 -0.311) 1.262 5.741 ( 0.000 3.661 6.383) 7.359 5.767 ( 0.000 1.607 3.586) 3.929 6.015 ( 0.000 10.849 3.157) 11.299 6.116 ( 0.000 6.863 -0.927) 6.926 6.423 ( 0.000 4.996 -3.567) 6.138 6.545 ( 0.000 0.016 -10.589) 10.589 6.689 ( 0.000 3.106 -3.726) 4.851 6.900 ( 0.000 -0.271 -0.940) 0.978 7.168 ( 0.000 -2.172 -2.976) 3.685 7.261 ( 0.000 11.973 2.564) 12.244 7.299 ( 0.000 2.044 -2.498) 3.228 7.369 ( 0.000 -8.247 4.539) 9.413 7.642 ( 0.000 -5.020 -2.751) 5.724 7.759 ( 0.000 -7.528 0.946) 7.587 7.792 ( 0.000 -3.213 -1.074) 3.388 7.895 ( 0.000 -0.130 3.591) 3.593 7.950 ( 0.000 0.859 -0.618) 1.058 8.378 ( 0.000 -1.900 -2.751) 3.343 8.452 ( 0.000 -1.484 4.463) 4.703 9.477 ( 0.000 -22.934 -4.638) 23.398 11.448 ( 0.000 -2.023 0.783) 2.170 11.507 ( 0.000 -3.628 -0.250) 3.637 11.796 ( 0.000 2.898 0.470) 2.936 11.827 ( 0.000 2.096 -0.371) 2.129 12.232 ( 0.000 0.358 -0.242) 0.432 12.235 ( 0.000 0.138 -0.200) 0.243 13.361 ( 0.000 2.053 5.531) 5.900 13.562 ( 0.000 -1.982 -2.161) 2.932 14.096 ( 0.000 -0.315 1.370) 1.406 14.207 ( 0.000 -2.161 -1.176) 2.460 14.450 ( 0.000 -0.637 1.244) 1.397 14.602 ( 0.000 -3.904 -1.285) 4.111 17.169 ( 0.000 1.853 2.029) 2.747 17.196 ( 0.000 2.413 0.791) 2.539 17.438 ( 0.000 -1.847 -3.006) 3.528 17.493 ( 0.000 -3.147 -3.722) 4.874 17.711 ( 0.000 0.518 -0.909) 1.046 17.735 ( 0.000 -0.050 -0.788) 0.790 18.184 ( 0.000 0.384 1.511) 1.559 18.210 ( 0.000 -0.411 0.473) 0.627 18.961 ( 0.000 1.632 1.048) 1.940 18.988 ( 0.000 1.422 -0.181) 1.434 19.101 ( 0.000 -0.026 1.187) 1.188 19.165 ( 0.000 -3.151 0.994) 3.304 29.172 ( 0.000 4.545 -2.240) 5.067 29.319 ( 0.000 2.147 -4.730) 5.195 29.607 ( 0.000 0.429 1.500) 1.561 29.688 ( 0.000 -1.844 -5.359) 5.667 30.067 ( 0.000 7.587 -0.121) 7.588 30.271 ( 0.000 7.040 -5.683) 9.047 30.503 ( 0.000 17.610 -16.808) 24.344 30.736 ( 0.000 10.696 -10.986) 15.333 33.102 ( 0.000 2.473 0.349) 2.497 33.153 ( 0.000 -1.151 -4.810) 4.946 34.503 ( 0.000 2.078 16.335) 16.466 34.700 ( 0.000 0.115 6.938) 6.939 34.760 ( 0.000 -0.970 12.628) 12.665 35.370 ( 0.000 -24.758 26.341) 36.149 35.742 ( 0.000 0.012 -8.800) 8.800 36.285 ( 0.000 -10.576 -8.759) 13.733 ======================= Grid point 113 (42/80) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 22.943 3.543 22.058) 32.023 2.075 ( 14.612 4.347 9.191) 17.801 2.362 ( 20.393 5.653 7.697) 22.518 2.523 ( 15.832 24.647 16.696) 33.718 2.608 ( 21.134 1.225 12.069) 24.368 2.743 ( 12.151 7.203 10.763) 17.758 3.060 ( 8.491 5.986 13.066) 16.693 3.116 ( -7.183 13.538 7.551) 17.085 3.362 ( 3.479 -0.105 10.392) 10.959 3.402 ( -0.119 -0.822 6.253) 6.308 3.587 ( 1.096 10.847 10.123) 14.878 3.628 ( 2.231 14.411 -3.808) 15.072 3.719 ( 11.723 6.252 6.754) 14.904 3.819 ( -2.441 -5.865 5.228) 8.227 4.164 ( 0.894 4.650 2.033) 5.153 4.285 ( 2.998 -3.157 -3.698) 5.713 4.659 ( -4.860 3.643 -3.337) 6.930 4.713 ( -5.090 0.598 -6.763) 8.486 4.813 ( -3.362 9.763 -7.606) 12.825 4.934 ( -4.071 4.883 -4.279) 7.663 5.144 ( 0.948 9.565 4.483) 10.606 5.354 ( -0.275 9.361 0.086) 9.365 5.417 ( 0.393 2.123 3.583) 4.183 5.540 ( 3.623 3.190 3.304) 5.849 5.691 ( -2.999 6.104 2.016) 7.093 5.837 ( 2.408 5.071 -1.120) 5.724 6.023 ( 0.888 7.751 4.948) 9.238 6.091 ( -0.901 6.015 0.255) 6.087 6.420 ( -0.258 4.098 -2.870) 5.010 6.466 ( -7.710 3.008 -12.171) 14.719 6.643 ( -3.182 3.823 -3.784) 6.250 6.896 ( -0.826 -2.598 -0.554) 2.782 7.113 ( -5.018 1.292 3.047) 6.011 7.244 ( -2.784 3.618 1.699) 4.871 7.264 ( -2.022 2.384 -0.358) 3.146 7.380 ( 0.833 -3.979 2.017) 4.538 7.649 ( 0.741 -5.096 -2.924) 5.922 7.739 ( -1.779 -7.060 -0.102) 7.281 7.797 ( 0.444 -2.337 -0.809) 2.512 7.873 ( -2.033 1.265 2.563) 3.508 7.921 ( -1.499 -3.003 -0.719) 3.433 8.288 ( -8.836 -2.614 -4.816) 10.397 8.395 ( -5.021 -0.738 6.588) 8.316 9.130 ( -26.477 -12.898 3.487) 29.657 11.541 ( 8.315 -0.715 0.746) 8.379 11.703 ( 8.661 -3.287 -2.810) 9.680 11.888 ( 9.526 2.740 0.760) 9.941 12.061 ( 23.846 -5.838 -6.038) 25.282 12.196 ( -2.140 0.052 -0.383) 2.175 12.209 ( -2.502 -0.059 -0.462) 2.544 13.265 ( -9.080 2.323 5.221) 10.729 13.531 ( -3.547 -3.516 -3.606) 6.160 14.109 ( 1.280 -0.211 1.164) 1.743 14.202 ( -0.290 -1.514 -1.078) 1.881 14.422 ( -2.528 -0.931 0.880) 2.834 14.562 ( -3.792 -3.935 -1.396) 5.640 17.172 ( 0.255 1.899 1.956) 2.738 17.194 ( -0.189 2.494 0.922) 2.666 17.419 ( -1.314 -2.125 -2.743) 3.710 17.479 ( -1.405 -3.285 -3.674) 5.124 17.755 ( 3.836 0.604 -0.671) 3.941 17.797 ( 5.600 -0.591 -0.610) 5.664 18.161 ( -2.116 0.403 1.341) 2.538 18.203 ( -0.879 -0.656 0.738) 1.322 18.958 ( -0.069 1.370 1.117) 1.769 18.990 ( -0.010 1.196 -0.509) 1.300 19.089 ( -0.997 -0.427 1.716) 2.030 19.154 ( -1.109 -3.264 1.485) 3.753 29.183 ( 1.090 4.770 -2.615) 5.548 29.322 ( 0.198 2.906 -5.062) 5.840 29.591 ( -1.506 -0.290 0.496) 1.612 29.663 ( -2.305 -1.484 -4.600) 5.354 30.073 ( 0.656 8.201 0.178) 8.229 30.272 ( -0.443 10.256 -6.907) 12.373 30.446 ( -3.899 13.369 -8.859) 16.505 30.700 ( -3.521 9.730 -10.025) 14.407 33.140 ( 3.854 2.729 0.414) 4.741 33.223 ( 6.277 0.473 -2.515) 6.778 34.242 ( -18.287 1.360 15.980) 24.324 34.487 ( -14.494 -3.605 19.206) 24.330 34.915 ( 10.785 1.935 6.948) 12.974 35.613 ( 7.274 -3.584 2.146) 8.388 35.757 ( 9.114 -17.544 0.952) 19.793 36.303 ( 1.363 -11.731 -8.119) 14.331 ======================= Grid point 114 (43/80) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 16.124 4.295 11.936) 20.516 2.388 ( 15.631 4.294 14.446) 21.713 2.665 ( 11.863 21.374 -1.527) 24.493 2.832 ( 5.637 7.853 10.218) 14.066 2.855 ( -1.938 16.370 8.864) 18.716 3.062 ( 6.918 5.649 2.032) 9.160 3.179 ( 19.221 7.139 7.655) 21.887 3.271 ( 1.325 3.895 6.803) 7.950 3.358 ( 3.534 5.409 5.187) 8.286 3.424 ( 8.090 -0.250 8.680) 11.868 3.669 ( 5.633 7.070 3.093) 9.554 3.733 ( -0.903 -0.485 8.938) 8.996 3.863 ( 17.904 -0.178 5.693) 18.788 4.062 ( 2.523 -0.400 0.044) 2.554 4.121 ( 7.458 6.035 2.471) 9.907 4.363 ( 5.699 -0.448 0.526) 5.741 4.493 ( -4.833 1.686 6.418) 8.209 4.618 ( -2.174 1.847 -3.468) 4.490 4.860 ( 4.246 6.335 -5.690) 9.515 4.937 ( 7.767 7.567 -4.471) 11.729 5.106 ( -4.016 6.659 5.166) 9.335 5.324 ( -2.828 8.447 2.200) 9.175 5.378 ( -6.877 2.257 4.641) 8.598 5.483 ( -7.093 2.645 4.896) 9.015 5.604 ( -6.340 9.700 -0.348) 11.594 5.843 ( -3.058 7.945 -2.994) 9.024 5.954 ( -14.991 5.275 -7.451) 17.552 6.045 ( -5.878 4.624 -1.294) 7.590 6.298 ( 1.357 12.462 -5.906) 13.857 6.490 ( 3.984 3.908 -2.409) 6.079 6.640 ( 5.137 2.621 0.345) 5.778 6.874 ( -0.817 -2.963 -0.666) 3.144 7.025 ( -3.645 2.605 3.900) 5.940 7.111 ( -6.083 -0.485 2.825) 6.725 7.281 ( 1.234 0.748 1.587) 2.145 7.376 ( -1.417 -3.235 2.454) 4.301 7.673 ( 1.351 -6.536 -2.250) 7.044 7.706 ( -1.151 -6.785 -1.163) 6.980 7.795 ( -0.338 1.358 -0.262) 1.424 7.857 ( 0.828 0.736 -1.651) 1.988 7.920 ( 1.322 -4.133 1.685) 4.654 8.095 ( -8.038 -3.939 -3.580) 9.640 8.268 ( -6.292 -1.393 6.145) 8.904 8.619 ( -22.613 -5.493 6.955) 24.288 11.725 ( 9.139 1.021 0.178) 9.198 11.836 ( 5.937 -0.297 -1.782) 6.206 12.082 ( -5.942 -0.038 0.211) 5.946 12.121 ( -5.291 -0.528 -0.394) 5.332 12.182 ( 18.744 3.309 1.741) 19.113 12.631 ( 23.376 -9.811 -11.750) 27.942 13.023 ( -12.954 0.388 3.213) 13.352 13.402 ( -9.573 -7.085 -7.203) 13.918 14.148 ( 2.437 0.102 0.712) 2.541 14.202 ( 0.256 0.030 -0.793) 0.834 14.367 ( -2.270 -2.156 0.013) 3.130 14.463 ( -5.542 -3.927 -1.570) 6.972 17.178 ( 0.285 2.038 1.734) 2.691 17.189 ( -0.274 2.518 1.191) 2.799 17.401 ( -0.278 -2.981 -2.756) 4.069 17.443 ( -1.889 -3.572 -3.532) 5.367 17.851 ( 5.293 1.252 0.061) 5.439 17.920 ( 5.413 -0.304 -0.118) 5.423 18.108 ( -2.650 -0.276 1.348) 2.986 18.169 ( -2.492 -1.386 1.013) 3.026 18.963 ( 0.544 1.230 0.280) 1.374 18.985 ( -0.398 1.183 -0.887) 1.531 19.074 ( -0.211 -1.969 3.128) 3.702 19.123 ( -1.805 -3.649 2.668) 4.867 29.217 ( 2.243 5.397 -3.677) 6.905 29.315 ( -1.279 5.011 -5.753) 7.736 29.559 ( -1.035 -1.914 -0.978) 2.386 29.610 ( -2.650 -1.408 -2.446) 3.872 30.097 ( 1.756 10.020 0.607) 10.191 30.223 ( -4.015 15.509 -4.554) 16.655 30.425 ( 2.107 5.450 -2.256) 6.264 30.606 ( -5.359 7.578 -6.955) 11.598 33.248 ( 6.534 4.761 3.055) 8.643 33.365 ( 6.084 4.261 2.195) 7.745 33.936 ( -9.719 -1.721 14.288) 17.366 34.190 ( -14.710 -5.637 14.410) 21.350 35.143 ( 11.547 4.812 4.189) 13.193 35.546 ( -7.311 6.575 -3.890) 10.575 36.059 ( 13.367 -23.396 -1.020) 26.965 36.315 ( -0.795 -14.674 -6.915) 16.242 ======================= Grid point 115 (44/80) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -5.257 15.316 8.128) 18.118 2.581 ( 5.257 15.316 8.128) 18.118 2.753 ( -5.143 -0.101 11.115) 12.248 2.753 ( 5.143 -0.101 11.115) 12.248 2.990 ( -10.172 16.350 0.668) 19.267 2.990 ( 10.172 16.350 0.668) 19.267 3.271 ( -3.238 6.379 8.494) 11.105 3.271 ( 3.238 6.379 8.494) 11.105 3.573 ( -5.224 1.118 4.737) 7.140 3.573 ( 5.224 1.118 4.737) 7.140 3.760 ( -14.977 -1.246 0.487) 15.037 3.760 ( 14.977 -1.246 0.487) 15.037 3.937 ( -15.769 6.411 7.059) 18.429 3.937 ( 15.769 6.411 7.059) 18.429 4.298 ( -9.697 -2.869 -6.586) 12.068 4.298 ( 9.697 -2.869 -6.586) 12.068 4.776 ( -5.290 7.001 1.912) 8.981 4.776 ( 5.290 7.001 1.912) 8.981 4.960 ( -10.212 0.844 3.640) 10.874 4.960 ( 10.212 0.844 3.640) 10.874 5.102 ( -9.585 8.283 7.783) 14.868 5.102 ( 9.585 8.283 7.783) 14.868 5.319 ( -6.808 -0.692 3.254) 7.578 5.319 ( 6.808 -0.692 3.254) 7.578 5.604 ( -10.781 11.717 -6.490) 17.194 5.604 ( 10.781 11.717 -6.490) 17.194 5.859 ( -4.906 7.375 -2.869) 9.310 5.859 ( 4.906 7.375 -2.869) 9.310 6.465 ( -6.796 11.305 -2.895) 13.505 6.465 ( 6.796 11.305 -2.895) 13.505 6.792 ( -7.659 -1.921 0.527) 7.913 6.792 ( 7.659 -1.921 0.527) 7.913 7.026 ( -3.772 1.546 0.781) 4.151 7.026 ( 3.772 1.546 0.781) 4.151 7.324 ( -3.211 -3.370 3.817) 6.020 7.324 ( 3.211 -3.370 3.817) 6.020 7.690 ( -0.587 -8.090 -1.087) 8.184 7.690 ( 0.587 -8.090 -1.087) 8.184 7.830 ( -3.329 3.316 -1.947) 5.086 7.830 ( 3.329 3.316 -1.947) 5.086 7.984 ( -4.747 -3.410 2.451) 6.339 7.984 ( 4.747 -3.410 2.451) 6.339 8.272 ( -9.822 -4.264 3.798) 11.361 8.272 ( 9.822 -4.264 3.798) 11.361 11.885 ( -5.066 1.767 -1.017) 5.461 11.885 ( 5.066 1.767 -1.017) 5.461 12.016 ( -3.379 -1.333 0.134) 3.635 12.016 ( 3.379 -1.333 0.134) 3.635 12.585 ( -19.367 4.387 2.570) 20.024 12.585 ( 19.367 4.387 2.570) 20.024 13.139 ( -16.344 -11.513 -10.801) 22.723 13.139 ( 16.344 -11.513 -10.801) 22.723 14.193 ( -1.599 0.846 0.071) 1.811 14.193 ( 1.599 0.846 0.071) 1.811 14.368 ( -2.959 -3.714 -1.210) 4.900 14.368 ( 2.959 -3.714 -1.210) 4.900 17.183 ( -0.281 2.296 1.463) 2.737 17.183 ( 0.281 2.296 1.463) 2.737 17.411 ( -1.171 -3.578 -3.170) 4.921 17.411 ( 1.171 -3.578 -3.170) 4.921 17.947 ( -3.229 1.956 0.361) 3.792 17.947 ( 3.229 1.956 0.361) 3.792 18.108 ( -2.967 -2.298 1.215) 3.945 18.108 ( 2.967 -2.298 1.215) 3.945 18.975 ( -0.595 1.477 -0.796) 1.780 18.975 ( 0.595 1.477 -0.796) 1.780 19.088 ( -1.489 -3.608 3.711) 5.386 19.088 ( 1.489 -3.608 3.711) 5.386 29.270 ( -2.813 5.983 -5.144) 8.376 29.270 ( 2.813 5.983 -5.144) 8.376 29.565 ( -1.544 -2.202 -1.370) 3.018 29.565 ( 1.544 -2.202 -1.370) 3.018 30.146 ( -3.196 12.882 -0.267) 13.275 30.146 ( 3.196 12.882 -0.267) 13.275 30.500 ( -4.834 5.659 -3.909) 8.407 30.500 ( 4.834 5.659 -3.909) 8.407 33.377 ( -4.913 7.375 6.161) 10.793 33.377 ( 4.913 7.375 6.161) 10.793 33.933 ( -8.917 -6.425 10.151) 14.961 33.933 ( 8.917 -6.425 10.151) 14.961 35.366 ( -10.294 6.399 0.273) 12.124 35.366 ( 10.294 6.399 0.273) 12.124 36.251 ( -5.974 -18.761 -5.260) 20.380 36.251 ( 5.974 -18.761 -5.260) 20.380 ======================= Grid point 119 (45/80) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 9.050 22.189) 23.964 1.949 ( 0.000 -5.029 19.072) 19.724 2.095 ( 0.000 4.349 19.488) 19.967 2.197 ( 0.000 -6.134 25.295) 26.028 2.785 ( 0.000 6.750 9.699) 11.817 2.815 ( 0.000 7.466 10.294) 12.716 3.067 ( 0.000 5.593 15.905) 16.860 3.222 ( 0.000 -7.273 16.451) 17.987 3.375 ( 0.000 0.312 6.276) 6.284 3.385 ( 0.000 0.689 6.016) 6.055 3.585 ( 0.000 3.908 -0.083) 3.909 3.697 ( 0.000 -6.828 5.484) 8.758 3.913 ( 0.000 10.057 -2.823) 10.445 3.946 ( 0.000 6.609 -9.006) 11.171 4.154 ( 0.000 2.313 -5.452) 5.923 4.208 ( 0.000 -2.442 -4.557) 5.170 4.777 ( 0.000 1.071 -3.238) 3.411 4.787 ( 0.000 -0.136 -8.930) 8.931 4.984 ( 0.000 1.360 -0.940) 1.653 5.003 ( 0.000 -0.130 -2.239) 2.243 5.442 ( 0.000 4.441 1.857) 4.814 5.472 ( 0.000 -0.013 -1.455) 1.455 5.486 ( 0.000 13.697 7.945) 15.835 5.589 ( 0.000 5.687 6.785) 8.853 5.782 ( 0.000 0.943 6.371) 6.441 5.793 ( 0.000 0.477 4.484) 4.509 6.205 ( 0.000 5.812 -3.841) 6.967 6.235 ( 0.000 2.935 -3.153) 4.308 6.515 ( 0.000 3.373 -6.325) 7.168 6.547 ( 0.000 -0.001 -8.461) 8.461 6.758 ( 0.000 3.568 -3.736) 5.166 6.841 ( 0.000 -4.283 -2.517) 4.968 7.180 ( 0.000 3.291 -5.749) 6.624 7.279 ( 0.000 -4.191 -5.683) 7.062 7.348 ( 0.000 4.137 5.059) 6.535 7.494 ( 0.000 -3.310 7.620) 8.308 7.583 ( 0.000 3.721 0.571) 3.764 7.632 ( 0.000 4.436 -2.717) 5.201 7.749 ( 0.000 -2.529 -0.557) 2.589 7.766 ( 0.000 -9.296 1.817) 9.472 8.151 ( 0.000 17.062 1.062) 17.095 8.333 ( 0.000 -2.464 -3.302) 4.120 8.447 ( 0.000 4.089 7.742) 8.756 8.883 ( 0.000 -31.688 6.707) 32.389 11.426 ( 0.000 -0.046 0.461) 0.463 11.447 ( 0.000 -2.067 0.081) 2.069 11.842 ( 0.000 1.445 0.349) 1.486 11.853 ( 0.000 0.373 0.066) 0.378 12.238 ( 0.000 0.201 -0.576) 0.610 12.239 ( 0.000 0.127 -0.550) 0.564 13.421 ( 0.000 3.621 4.185) 5.534 13.500 ( 0.000 -3.718 1.436) 3.986 14.111 ( 0.000 1.696 -0.446) 1.753 14.158 ( 0.000 -2.558 -1.580) 3.007 14.461 ( 0.000 1.818 0.521) 1.891 14.520 ( 0.000 -3.696 -0.610) 3.746 17.217 ( 0.000 2.394 0.614) 2.472 17.238 ( 0.000 0.925 -0.446) 1.027 17.401 ( 0.000 -0.822 -1.950) 2.117 17.427 ( 0.000 -2.882 -2.814) 4.028 17.722 ( 0.000 0.486 -0.857) 0.985 17.731 ( 0.000 -0.345 -0.740) 0.816 18.193 ( 0.000 0.439 1.241) 1.316 18.202 ( 0.000 -0.411 0.853) 0.947 18.994 ( 0.000 1.308 0.485) 1.395 19.006 ( 0.000 0.200 0.210) 0.290 19.106 ( 0.000 0.459 0.315) 0.557 19.122 ( 0.000 -1.236 0.364) 1.288 29.264 ( 0.000 4.098 -2.856) 4.995 29.326 ( 0.000 -1.489 -2.980) 3.331 29.625 ( 0.000 1.020 -0.264) 1.053 29.649 ( 0.000 -1.502 -2.768) 3.149 30.220 ( 0.000 6.549 -0.608) 6.577 30.313 ( 0.000 -1.838 -2.058) 2.759 30.802 ( 0.000 9.491 -23.355) 25.210 30.878 ( 0.000 2.076 -18.371) 18.488 33.140 ( 0.000 0.920 0.705) 1.159 33.144 ( 0.000 0.119 -0.977) 0.984 34.591 ( 0.000 6.802 22.916) 23.904 34.695 ( 0.000 -1.113 12.837) 12.885 34.751 ( 0.000 0.644 10.159) 10.179 34.905 ( 0.000 -16.898 24.092) 29.428 35.853 ( 0.000 8.360 -10.898) 13.735 36.057 ( 0.000 -10.935 -10.223) 14.969 ======================= Grid point 120 (46/80) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 15.737 3.653 19.670) 25.453 2.087 ( 13.520 -1.972 14.289) 19.770 2.447 ( 29.135 4.277 14.972) 33.035 2.538 ( 30.681 -4.121 13.815) 33.900 2.895 ( 9.599 7.319 9.291) 15.233 2.928 ( 11.638 8.701 12.730) 19.318 3.130 ( 5.976 3.676 15.486) 17.002 3.285 ( 3.550 -5.773 12.430) 14.157 3.303 ( -2.934 2.239 8.633) 9.389 3.349 ( -4.157 -1.722 4.875) 6.634 3.622 ( 3.806 1.647 1.405) 4.379 3.695 ( 0.568 -5.088 3.468) 6.183 3.919 ( -1.079 7.715 -5.186) 9.358 3.941 ( 1.825 6.686 -6.509) 9.507 4.227 ( 3.120 1.640 0.554) 3.568 4.243 ( 4.049 -0.744 -0.065) 4.117 4.709 ( -5.688 0.979 -10.112) 11.643 4.721 ( -5.625 0.659 -1.112) 5.771 4.911 ( -3.694 1.703 -3.842) 5.596 4.944 ( -4.180 -1.523 -1.853) 4.820 5.427 ( -1.644 6.260 2.261) 6.856 5.459 ( -0.916 0.818 0.116) 1.233 5.519 ( 0.240 11.899 7.702) 14.176 5.648 ( 0.150 2.472 7.462) 7.862 5.806 ( 3.998 4.592 1.476) 6.265 5.869 ( 5.765 -1.299 0.904) 5.978 6.176 ( -2.073 5.217 -0.753) 5.664 6.200 ( -2.528 2.839 -2.762) 4.699 6.504 ( -0.698 3.818 -6.999) 8.003 6.531 ( -2.094 1.776 -10.677) 11.025 6.726 ( -2.154 4.007 -3.412) 5.686 6.814 ( -1.747 -4.607 -1.632) 5.191 7.171 ( -1.510 4.388 -1.906) 5.017 7.281 ( -0.214 -4.201 -3.719) 5.614 7.292 ( -5.263 5.192 5.497) 9.213 7.436 ( -4.873 -3.228 5.210) 7.830 7.586 ( -0.080 1.487 1.204) 1.915 7.646 ( 1.437 5.567 -2.941) 6.458 7.752 ( -0.696 -8.475 0.590) 8.524 7.765 ( 1.540 -3.341 -1.021) 3.818 8.026 ( -9.256 11.365 2.769) 14.916 8.213 ( -10.759 -4.928 -3.039) 12.218 8.408 ( -4.894 4.772 7.695) 10.292 8.725 ( -13.687 -23.017 8.458) 28.083 11.551 ( 10.588 1.850 -0.115) 10.749 11.617 ( 12.027 -4.270 -1.658) 12.870 11.938 ( 10.229 2.080 0.363) 10.445 11.980 ( 14.032 -2.372 -1.022) 14.268 12.201 ( -3.342 0.341 -0.552) 3.404 12.207 ( -3.172 -0.194 -0.656) 3.245 13.337 ( -8.293 4.430 3.672) 10.094 13.438 ( -6.343 -5.090 0.514) 8.149 14.124 ( 1.326 1.581 -0.517) 2.127 14.165 ( 0.814 -2.107 -1.551) 2.740 14.426 ( -3.245 1.529 0.242) 3.595 14.481 ( -3.681 -3.566 -0.817) 5.190 17.221 ( 0.421 2.493 0.444) 2.567 17.241 ( 0.303 1.259 -0.611) 1.433 17.379 ( -1.899 -0.930 -1.894) 2.839 17.408 ( -1.755 -3.156 -2.800) 4.570 17.768 ( 4.264 0.645 -0.332) 4.325 17.782 ( 4.846 -0.731 -0.169) 4.904 18.172 ( -1.998 0.666 1.309) 2.480 18.188 ( -1.491 -0.769 1.108) 2.010 18.988 ( -0.381 1.321 0.714) 1.549 19.003 ( -0.291 -0.021 0.184) 0.345 19.090 ( -1.425 0.451 0.512) 1.580 19.108 ( -1.377 -1.349 0.614) 2.023 29.279 ( 1.487 4.271 -3.118) 5.493 29.341 ( 1.492 -1.231 -3.131) 3.680 29.596 ( -2.837 0.821 -1.585) 3.352 29.624 ( -2.333 -1.793 -2.622) 3.941 30.240 ( 1.997 7.133 -0.472) 7.422 30.338 ( 2.503 -1.719 -2.152) 3.721 30.720 ( -7.146 9.989 -18.053) 21.835 30.817 ( -5.639 0.770 -15.740) 16.737 33.196 ( 5.874 2.516 1.221) 6.506 33.230 ( 7.463 -0.472 0.569) 7.500 34.295 ( -18.491 3.937 19.406) 27.092 34.395 ( -17.324 -5.133 20.915) 27.639 35.004 ( 15.266 7.345 8.188) 18.815 35.247 ( 20.140 -16.658 11.343) 28.491 35.824 ( -2.907 9.364 -9.440) 13.610 36.051 ( -0.902 -12.103 -9.148) 15.199 ======================= Grid point 121 (47/80) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 18.398 1.301 15.229) 23.919 2.405 ( 17.116 -1.531 12.543) 21.275 2.887 ( 5.092 6.513 4.503) 9.414 2.955 ( 0.833 1.399 9.216) 9.359 3.144 ( 7.748 6.812 3.939) 11.043 3.175 ( 4.238 5.828 1.584) 7.378 3.256 ( 5.553 -4.214 7.567) 10.288 3.290 ( 7.200 0.027 5.628) 9.138 3.356 ( 20.539 3.789 10.949) 23.581 3.451 ( 6.701 -1.436 11.169) 13.104 3.718 ( 0.182 1.503 3.701) 3.999 3.787 ( 8.683 -3.956 5.617) 11.072 3.921 ( 4.770 9.139 -2.650) 10.644 4.036 ( 7.116 -2.361 -4.287) 8.636 4.241 ( 1.333 4.636 3.259) 5.822 4.318 ( 1.307 -3.090 2.158) 3.989 4.559 ( -2.600 3.973 0.799) 4.815 4.630 ( -0.732 -1.740 -0.587) 1.977 4.944 ( 6.346 2.143 -3.788) 7.695 4.964 ( 6.672 -0.368 -5.994) 8.977 5.362 ( -6.100 8.864 1.982) 10.942 5.413 ( -5.668 0.632 2.120) 6.085 5.446 ( -6.830 5.457 8.514) 12.203 5.531 ( -10.930 0.049 7.192) 13.084 5.809 ( -3.453 8.394 -3.584) 9.758 5.913 ( -1.160 -1.172 -3.913) 4.246 6.085 ( -11.404 5.673 -5.221) 13.766 6.127 ( -6.882 1.937 -2.855) 7.698 6.540 ( 7.112 7.042 -6.649) 12.015 6.561 ( 7.946 3.004 -4.261) 9.504 6.730 ( 2.386 4.964 -2.437) 6.023 6.811 ( 0.973 -3.040 -1.453) 3.508 7.106 ( -3.829 5.190 4.116) 7.651 7.154 ( -5.936 4.162 3.491) 8.047 7.269 ( -1.531 -2.997 1.543) 3.702 7.342 ( -4.444 -5.343 0.589) 6.975 7.584 ( 0.383 1.797 1.279) 2.239 7.668 ( -0.504 7.275 -0.104) 7.293 7.756 ( 1.473 -9.345 0.895) 9.503 7.831 ( 5.102 -2.783 -1.351) 5.966 7.893 ( -1.639 3.524 2.034) 4.387 7.990 ( -9.631 -5.062 -0.588) 10.896 8.242 ( -10.561 1.081 6.982) 12.706 8.401 ( -17.313 -12.950 8.283) 23.153 11.762 ( 9.522 2.436 -0.594) 9.847 11.813 ( 8.074 -2.047 -1.386) 8.444 12.088 ( -6.053 0.679 -0.573) 6.118 12.106 ( -5.588 -0.914 -0.679) 5.703 12.270 ( 20.600 5.438 0.166) 21.306 12.419 ( 24.346 -9.211 -4.108) 26.353 13.094 ( -15.668 5.670 2.370) 16.830 13.239 ( -13.539 -8.010 -1.733) 15.826 14.166 ( 2.835 1.493 -0.631) 3.266 14.196 ( 2.322 -1.001 -1.506) 2.943 14.344 ( -4.532 0.455 -0.316) 4.565 14.386 ( -5.385 -3.243 -1.233) 6.406 17.233 ( 0.716 2.964 -0.030) 3.050 17.249 ( 0.345 2.535 -0.892) 2.710 17.339 ( -1.589 -2.301 -1.848) 3.352 17.366 ( -2.231 -3.682 -2.688) 5.076 17.878 ( 6.213 1.330 0.746) 6.397 17.904 ( 6.650 -1.118 0.897) 6.803 18.112 ( -3.970 0.757 1.578) 4.339 18.137 ( -3.566 -1.557 1.514) 4.175 18.989 ( 0.551 1.098 0.843) 1.490 19.000 ( 0.159 0.110 0.279) 0.340 19.056 ( -1.815 0.009 0.962) 2.054 19.071 ( -2.139 -1.527 1.176) 2.879 29.324 ( 2.930 4.775 -3.755) 6.745 29.382 ( 2.241 0.488 -3.584) 4.255 29.523 ( -3.864 -0.364 -3.198) 5.028 29.561 ( -3.658 -2.875 -2.822) 5.442 30.301 ( 4.052 8.575 -0.817) 9.520 30.409 ( 4.276 -0.550 -3.138) 5.333 30.561 ( -7.631 9.071 -8.754) 14.736 30.678 ( -7.464 -1.179 -9.781) 12.360 33.359 ( 9.943 5.304 4.786) 12.243 33.424 ( 11.303 0.037 4.061) 12.010 33.940 ( -16.054 3.043 16.655) 23.332 34.054 ( -16.395 -6.964 16.308) 24.151 35.304 ( 14.106 11.161 2.780) 18.201 35.613 ( 15.656 -18.634 1.836) 24.407 35.731 ( -6.532 11.165 -6.090) 14.297 36.003 ( -4.225 -14.729 -6.825) 16.774 ======================= Grid point 122 (48/80) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -8.414 2.548 9.451) 12.907 2.720 ( 8.414 2.548 9.451) 12.908 2.748 ( -8.556 -0.486 10.327) 13.420 2.748 ( 8.556 -0.486 10.327) 13.420 3.239 ( -2.713 7.406 2.851) 8.387 3.239 ( 2.713 7.406 2.851) 8.387 3.338 ( -3.248 -1.325 5.973) 6.927 3.338 ( 3.248 -1.325 5.973) 6.927 3.634 ( -3.866 4.149 4.839) 7.455 3.634 ( 3.866 4.149 4.839) 7.455 3.710 ( -10.965 -3.162 3.733) 12.007 3.710 ( 10.965 -3.162 3.733) 12.007 4.090 ( -12.032 7.834 -0.639) 14.372 4.090 ( 12.032 7.834 -0.639) 14.372 4.225 ( -8.539 -4.849 -3.366) 10.381 4.225 ( 8.539 -4.849 -3.366) 10.381 4.880 ( -8.825 3.505 2.187) 9.744 4.880 ( 8.825 3.505 2.187) 9.744 4.938 ( -6.752 -2.241 2.374) 7.500 4.938 ( 6.752 -2.241 2.374) 7.500 5.264 ( -5.942 5.600 4.299) 9.227 5.264 ( 5.942 5.600 4.299) 9.227 5.321 ( -3.478 -0.342 3.620) 5.032 5.321 ( 3.478 -0.342 3.620) 5.032 5.846 ( -8.437 10.046 -5.203) 14.113 5.846 ( 8.437 10.046 -5.203) 14.113 5.954 ( -6.582 0.236 -4.004) 7.707 5.954 ( 6.582 0.236 -4.004) 7.707 6.693 ( -3.082 8.182 -4.551) 9.857 6.693 ( 3.082 8.182 -4.551) 9.857 6.767 ( -5.309 -0.654 -2.356) 5.845 6.767 ( 5.309 -0.654 -2.356) 5.845 7.099 ( -2.225 5.824 3.447) 7.124 7.099 ( 2.225 5.824 3.447) 7.124 7.254 ( -2.497 -6.483 2.226) 7.295 7.254 ( 2.497 -6.483 2.226) 7.295 7.617 ( -2.974 5.136 2.138) 6.309 7.617 ( 2.974 5.136 2.138) 6.309 7.823 ( -5.314 -9.448 0.015) 10.840 7.823 ( 5.314 -9.448 0.015) 10.840 7.948 ( -2.151 5.467 2.861) 6.535 7.948 ( 2.151 5.467 2.861) 6.535 8.113 ( -5.981 -9.503 4.914) 12.257 8.113 ( 5.981 -9.503 4.914) 12.257 11.930 ( -5.016 2.473 -0.954) 5.673 11.930 ( 5.016 2.473 -0.954) 5.673 11.980 ( -4.270 -2.154 -0.595) 4.820 11.980 ( 4.270 -2.154 -0.595) 4.820 12.705 ( -19.836 7.464 0.636) 21.203 12.705 ( 19.836 7.464 0.636) 21.203 12.897 ( -19.278 -11.021 -3.708) 22.513 12.897 ( 19.278 -11.021 -3.708) 22.513 14.228 ( -2.072 2.447 -0.827) 3.312 14.228 ( 2.072 2.447 -0.827) 3.312 14.291 ( -2.440 -3.545 -1.274) 4.488 14.291 ( 2.440 -3.545 -1.274) 4.488 17.247 ( -0.587 3.776 -0.608) 3.869 17.247 ( 0.587 3.776 -0.608) 3.869 17.331 ( -0.879 -4.090 -2.283) 4.766 17.331 ( 0.879 -4.090 -2.283) 4.766 17.994 ( -3.225 2.586 1.310) 4.336 17.994 ( 3.225 2.586 1.310) 4.337 18.052 ( -3.185 -2.931 1.757) 4.671 18.052 ( 3.185 -2.931 1.757) 4.671 19.005 ( -0.445 1.385 0.208) 1.469 19.005 ( 0.445 1.385 0.208) 1.469 19.035 ( -0.659 -1.726 1.716) 2.522 19.035 ( 0.659 -1.726 1.716) 2.522 29.388 ( -2.661 5.539 -4.306) 7.504 29.388 ( 2.661 5.539 -4.306) 7.504 29.494 ( -2.165 -4.524 -3.025) 5.857 29.494 ( 2.165 -4.524 -3.025) 5.857 30.401 ( -5.640 10.337 -3.433) 12.265 30.401 ( 5.640 10.337 -3.433) 12.265 30.538 ( -5.962 -2.458 -4.754) 8.012 30.538 ( 5.962 -2.458 -4.754) 8.012 33.563 ( -6.568 10.101 9.495) 15.340 33.563 ( 6.568 10.101 9.495) 15.340 33.769 ( -8.005 -9.300 10.863) 16.388 33.769 ( 8.005 -9.300 10.863) 16.388 35.557 ( -10.763 12.211 -1.973) 16.396 35.557 ( 10.763 12.211 -1.973) 16.396 35.867 ( -9.578 -17.461 -3.707) 20.257 35.867 ( 9.578 -17.461 -3.707) 20.257 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 0.000 3.889) 3.889 1.169 ( 0.000 0.000 -1.974) 1.974 2.277 ( 0.000 0.000 38.568) 38.568 2.336 ( 0.000 0.000 5.944) 5.944 2.369 ( 0.000 0.000 7.423) 7.423 2.796 ( 0.000 0.000 5.033) 5.033 2.859 ( 0.000 0.000 27.808) 27.808 2.970 ( 0.000 0.000 2.584) 2.584 3.211 ( 0.000 0.000 5.256) 5.256 3.417 ( 0.000 0.000 -4.778) 4.778 3.599 ( 0.000 0.000 -10.624) 10.624 3.720 ( 0.000 0.000 12.003) 12.003 3.772 ( 0.000 0.000 11.876) 11.876 3.835 ( 0.000 0.000 29.159) 29.159 4.149 ( 0.000 0.000 -11.525) 11.525 4.259 ( 0.000 0.000 -11.820) 11.820 4.265 ( 0.000 0.000 -18.359) 18.359 4.453 ( 0.000 0.000 -12.530) 12.530 4.585 ( 0.000 0.000 16.053) 16.053 4.603 ( 0.000 0.000 4.255) 4.255 4.992 ( 0.000 0.000 11.436) 11.436 5.250 ( 0.000 0.000 -0.527) 0.527 5.536 ( 0.000 0.000 3.471) 3.471 5.617 ( 0.000 0.000 -0.902) 0.902 5.626 ( 0.000 0.000 0.392) 0.392 5.732 ( 0.000 0.000 -5.924) 5.924 6.032 ( 0.000 0.000 3.170) 3.170 6.051 ( 0.000 0.000 10.987) 10.987 6.307 ( 0.000 0.000 -10.120) 10.120 6.392 ( 0.000 0.000 12.945) 12.945 6.576 ( 0.000 0.000 0.750) 0.750 6.765 ( 0.000 0.000 -14.127) 14.127 6.862 ( 0.000 0.000 -8.439) 8.439 7.087 ( 0.000 0.000 -15.918) 15.918 7.492 ( 0.000 0.000 8.701) 8.701 7.632 ( 0.000 0.000 1.644) 1.644 7.854 ( 0.000 0.000 -0.335) 0.335 7.856 ( 0.000 0.000 4.036) 4.036 7.872 ( 0.000 0.000 -1.140) 1.140 7.982 ( 0.000 0.000 0.480) 0.480 7.992 ( 0.000 0.000 0.007) 0.007 8.225 ( 0.000 0.000 -9.929) 9.929 8.602 ( 0.000 0.000 11.117) 11.117 9.321 ( 0.000 0.000 -22.555) 22.555 11.579 ( 0.000 0.000 1.920) 1.920 11.667 ( 0.000 0.000 -2.363) 2.363 11.670 ( 0.000 0.000 0.533) 0.533 11.683 ( 0.000 0.000 -0.064) 0.064 12.231 ( 0.000 0.000 0.353) 0.353 12.238 ( 0.000 0.000 0.064) 0.064 13.413 ( 0.000 0.000 2.771) 2.771 13.498 ( 0.000 0.000 -3.162) 3.162 14.183 ( 0.000 0.000 2.731) 2.731 14.270 ( 0.000 0.000 -1.539) 1.539 14.512 ( 0.000 0.000 2.321) 2.321 14.646 ( 0.000 0.000 -3.328) 3.328 17.212 ( 0.000 0.000 4.051) 4.051 17.241 ( 0.000 0.000 5.420) 5.420 17.383 ( 0.000 0.000 -3.810) 3.810 17.474 ( 0.000 0.000 -5.350) 5.350 17.696 ( 0.000 0.000 0.414) 0.414 17.709 ( 0.000 0.000 -0.267) 0.267 18.201 ( 0.000 0.000 0.888) 0.888 18.219 ( 0.000 0.000 -0.216) 0.216 18.928 ( 0.000 0.000 -0.507) 0.507 18.940 ( 0.000 0.000 -0.550) 0.550 19.167 ( 0.000 0.000 2.988) 2.988 19.279 ( 0.000 0.000 -2.592) 2.592 29.075 ( 0.000 0.000 1.479) 1.479 29.075 ( 0.000 0.000 1.233) 1.233 29.595 ( 0.000 0.000 1.019) 1.019 29.655 ( 0.000 0.000 -0.628) 0.628 29.861 ( 0.000 0.000 -0.064) 0.064 29.903 ( 0.000 0.000 -1.003) 1.003 30.171 ( 0.000 0.000 1.048) 1.048 30.281 ( 0.000 0.000 -4.117) 4.117 33.026 ( 0.000 0.000 -0.342) 0.342 33.078 ( 0.000 0.000 -4.072) 4.072 34.644 ( 0.000 0.000 6.740) 6.740 34.756 ( 0.000 0.000 1.714) 1.714 35.092 ( 0.000 0.000 13.605) 13.605 35.451 ( 0.000 0.000 -6.494) 6.494 36.422 ( 0.000 0.000 -3.553) 3.553 36.422 ( 0.000 0.000 -4.618) 4.618 ======================= Grid point 148 (50/80) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.201 ( 8.689 0.000 5.437) 10.250 1.302 ( 10.329 0.000 -1.442) 10.430 2.399 ( 7.705 0.000 7.261) 10.587 2.498 ( 9.382 0.000 4.304) 10.322 2.567 ( 24.822 0.000 32.769) 41.109 2.819 ( 2.569 0.000 5.087) 5.699 2.988 ( 1.178 0.000 1.954) 2.281 3.050 ( 15.634 0.000 20.522) 25.799 3.163 ( -2.673 0.000 6.602) 7.122 3.463 ( 4.328 0.000 -4.244) 6.062 3.691 ( 7.876 0.000 -10.063) 12.779 3.771 ( 1.547 0.000 9.376) 9.503 3.789 ( 1.543 0.000 10.485) 10.598 3.891 ( 9.373 0.000 14.664) 17.403 4.063 ( -6.610 0.000 -11.871) 13.587 4.289 ( 0.467 0.000 -11.662) 11.671 4.307 ( 9.190 0.000 13.880) 16.647 4.414 ( -4.016 0.000 -11.717) 12.386 4.563 ( 0.340 0.000 5.491) 5.502 4.870 ( 18.064 0.000 -1.885) 18.162 4.953 ( -3.567 0.000 10.795) 11.369 5.172 ( -7.062 0.000 0.283) 7.068 5.526 ( -0.747 0.000 3.074) 3.163 5.585 ( -4.175 0.000 1.422) 4.411 5.606 ( -1.038 0.000 -0.994) 1.437 5.688 ( -3.390 0.000 -3.063) 4.569 5.942 ( -9.416 0.000 4.075) 10.260 6.034 ( -0.462 0.000 7.080) 7.095 6.166 ( -10.873 0.000 -8.411) 13.747 6.466 ( -3.892 0.000 2.396) 4.570 6.491 ( 4.326 0.000 3.466) 5.543 6.890 ( 2.566 0.000 -4.502) 5.182 6.953 ( 11.596 0.000 -12.949) 17.383 7.083 ( 0.427 0.000 -9.851) 9.861 7.362 ( -10.843 0.000 7.156) 12.992 7.637 ( 0.090 0.000 -0.065) 0.111 7.798 ( -5.057 0.000 2.867) 5.814 7.855 ( 0.076 0.000 -0.358) 0.366 7.870 ( -0.148 0.000 -1.062) 1.073 7.983 ( 0.093 0.000 0.434) 0.444 7.992 ( -0.035 0.000 0.028) 0.045 8.069 ( -13.358 0.000 -10.073) 16.730 8.541 ( -6.204 0.000 10.906) 12.547 9.055 ( -21.571 0.000 -9.937) 23.750 11.623 ( 4.168 0.000 1.674) 4.491 11.703 ( 3.427 0.000 -2.249) 4.099 11.822 ( 13.158 0.000 1.501) 13.244 11.987 ( 25.808 0.000 -9.515) 27.506 12.197 ( -3.254 0.000 0.580) 3.306 12.210 ( -2.773 0.000 -0.073) 2.774 13.314 ( -9.159 0.000 3.336) 9.747 13.461 ( -4.289 0.000 -5.252) 6.781 14.183 ( 0.148 0.000 2.292) 2.297 14.254 ( -1.344 0.000 -1.073) 1.720 14.486 ( -2.299 0.000 2.112) 3.122 14.611 ( -3.383 0.000 -3.190) 4.650 17.215 ( 0.263 0.000 4.083) 4.091 17.239 ( -0.137 0.000 5.284) 5.285 17.388 ( 0.445 0.000 -3.854) 3.880 17.467 ( -0.716 0.000 -5.204) 5.254 17.736 ( 3.602 0.000 0.676) 3.665 17.771 ( 5.474 0.000 -1.003) 5.565 18.175 ( -2.143 0.000 1.110) 2.413 18.214 ( -0.758 0.000 -0.538) 0.929 18.927 ( -0.230 0.000 -0.834) 0.865 18.932 ( -0.760 0.000 -0.682) 1.020 19.190 ( 2.243 0.000 3.100) 3.826 19.287 ( 0.780 0.000 -1.814) 1.974 29.075 ( 0.014 0.000 1.401) 1.401 29.076 ( 0.049 0.000 1.301) 1.302 29.595 ( 0.109 0.000 1.284) 1.288 29.650 ( -0.456 0.000 -0.331) 0.564 29.858 ( -0.237 0.000 -0.232) 0.332 29.897 ( -0.635 0.000 -1.100) 1.270 30.176 ( 0.451 0.000 0.731) 0.859 30.270 ( -0.980 0.000 -3.736) 3.862 33.067 ( 4.036 0.000 0.260) 4.044 33.134 ( 5.193 0.000 -3.460) 6.241 34.442 ( -14.225 0.000 9.883) 17.321 34.705 ( -9.910 0.000 -0.272) 9.913 35.102 ( 3.399 0.000 12.025) 12.496 35.449 ( -0.724 0.000 -4.929) 4.982 36.447 ( 3.666 0.000 -3.743) 5.239 36.504 ( 5.093 0.000 -5.623) 7.587 ======================= Grid point 149 (51/80) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.395 ( 9.060 0.000 6.852) 11.359 1.480 ( 5.939 0.000 1.960) 6.254 2.567 ( 6.780 0.000 5.987) 9.045 2.676 ( 6.199 0.000 2.087) 6.540 2.893 ( 3.596 0.000 3.921) 5.320 2.954 ( -3.501 0.000 2.679) 4.409 3.070 ( 20.849 0.000 24.710) 32.331 3.254 ( 13.233 0.000 6.870) 14.910 3.319 ( 8.321 0.000 10.945) 13.750 3.603 ( 9.692 0.000 -3.166) 10.196 3.743 ( 0.127 0.000 -1.039) 1.047 3.823 ( 1.407 0.000 7.905) 8.029 3.843 ( 4.214 0.000 -10.238) 11.071 3.904 ( -9.764 0.000 -8.759) 13.117 4.216 ( -7.314 0.000 -12.420) 14.413 4.301 ( -7.000 0.000 -11.164) 13.177 4.314 ( 28.403 0.000 20.716) 35.155 4.602 ( 8.306 0.000 10.842) 13.658 4.644 ( 17.853 0.000 10.537) 20.730 4.881 ( -2.314 0.000 8.360) 8.675 5.011 ( -7.787 0.000 1.535) 7.937 5.174 ( 8.986 0.000 -3.896) 9.794 5.444 ( -7.669 0.000 1.081) 7.745 5.521 ( 0.423 0.000 2.091) 2.133 5.578 ( -1.674 0.000 -0.629) 1.788 5.610 ( -6.227 0.000 5.587) 8.366 5.694 ( -14.888 0.000 -0.871) 14.914 5.940 ( -14.501 0.000 -2.263) 14.677 6.042 ( 5.221 0.000 6.109) 8.036 6.322 ( -5.350 0.000 -2.457) 5.887 6.662 ( 8.274 0.000 0.964) 8.330 6.892 ( -2.589 0.000 -6.681) 7.165 6.990 ( -4.641 0.000 -2.944) 5.496 7.109 ( -8.978 0.000 -4.435) 10.013 7.302 ( 13.074 0.000 0.321) 13.078 7.621 ( -3.055 0.000 -3.721) 4.814 7.719 ( -0.188 0.000 2.393) 2.401 7.843 ( -5.219 0.000 -7.101) 8.813 7.857 ( 0.172 0.000 -0.455) 0.486 7.866 ( -0.238 0.000 -0.869) 0.901 7.986 ( 0.141 0.000 0.323) 0.353 7.991 ( -0.086 0.000 0.093) 0.126 8.365 ( -10.117 0.000 8.790) 13.402 8.597 ( -22.201 0.000 0.554) 22.208 11.733 ( 6.188 0.000 0.943) 6.259 11.790 ( 4.576 0.000 -1.936) 4.969 12.112 ( -4.665 0.000 0.972) 4.765 12.133 ( -4.559 0.000 -0.127) 4.561 12.171 ( 20.234 0.000 4.170) 20.660 12.505 ( 21.885 0.000 -14.164) 26.069 13.074 ( -13.184 0.000 2.167) 13.361 13.314 ( -10.299 0.000 -9.909) 14.292 14.192 ( 0.769 0.000 1.289) 1.501 14.227 ( -1.102 0.000 -0.235) 1.126 14.442 ( -1.468 0.000 1.224) 1.911 14.524 ( -4.663 0.000 -2.391) 5.240 17.221 ( 0.383 0.000 4.223) 4.240 17.235 ( -0.258 0.000 4.934) 4.941 17.401 ( 0.894 0.000 -4.030) 4.128 17.447 ( -1.164 0.000 -4.828) 4.966 17.823 ( 4.538 0.000 1.118) 4.673 17.881 ( 4.102 0.000 -1.464) 4.356 18.133 ( -1.432 0.000 1.111) 1.812 18.187 ( -1.939 0.000 -1.004) 2.184 18.914 ( -0.749 0.000 -0.941) 1.203 18.918 ( -0.677 0.000 -1.232) 1.406 19.248 ( 3.073 0.000 2.846) 4.188 19.303 ( 0.501 0.000 0.040) 0.502 29.076 ( 0.050 0.000 1.375) 1.376 29.077 ( 0.013 0.000 1.305) 1.305 29.602 ( 0.646 0.000 1.537) 1.667 29.637 ( -0.801 0.000 0.451) 0.919 29.855 ( 0.052 0.000 -0.684) 0.686 29.880 ( -0.954 0.000 -1.233) 1.559 30.190 ( 0.964 0.000 -0.152) 0.976 30.244 ( -1.493 0.000 -2.724) 3.106 33.176 ( 6.223 0.000 1.925) 6.513 33.253 ( 5.245 0.000 -1.375) 5.422 34.188 ( -8.674 0.000 9.015) 12.510 34.422 ( -15.503 0.000 0.086) 15.504 35.210 ( 6.266 0.000 7.681) 9.913 35.412 ( -2.967 0.000 -1.047) 3.146 36.532 ( 4.073 0.000 -4.443) 6.027 36.584 ( 2.311 0.000 -6.311) 6.721 ======================= Grid point 150 (52/80) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.377 0.000 5.577) 6.063 1.518 ( 2.377 0.000 5.577) 6.063 2.676 ( -4.333 0.000 4.711) 6.401 2.676 ( 4.333 0.000 4.711) 6.401 2.928 ( -0.170 0.000 2.385) 2.391 2.928 ( 0.170 0.000 2.385) 2.391 3.336 ( -6.211 0.000 15.351) 16.560 3.336 ( 6.211 0.000 15.351) 16.560 3.613 ( -18.771 0.000 -0.537) 18.778 3.613 ( 18.771 0.000 -0.537) 18.778 3.794 ( -6.303 0.000 4.008) 7.470 3.794 ( 6.303 0.000 4.008) 7.470 3.821 ( -5.317 0.000 -4.056) 6.687 3.821 ( 5.317 0.000 -4.056) 6.687 4.155 ( -4.379 0.000 -13.699) 14.382 4.155 ( 4.379 0.000 -13.699) 14.382 4.710 ( -3.367 0.000 12.449) 12.897 4.710 ( 3.367 0.000 12.449) 12.897 4.893 ( -3.507 0.000 4.174) 5.451 4.893 ( 3.507 0.000 4.174) 5.451 5.058 ( -18.741 0.000 -2.636) 18.926 5.058 ( 18.741 0.000 -2.636) 18.926 5.439 ( -6.450 0.000 9.312) 11.327 5.439 ( 6.450 0.000 9.312) 11.327 5.543 ( -1.612 0.000 0.579) 1.713 5.543 ( 1.612 0.000 0.579) 1.713 5.603 ( -12.982 0.000 3.402) 13.420 5.603 ( 12.982 0.000 3.402) 13.420 6.216 ( -7.749 0.000 1.079) 7.824 6.216 ( 7.749 0.000 1.079) 7.824 6.795 ( -6.063 0.000 -6.278) 8.728 6.795 ( 6.063 0.000 -6.278) 8.728 6.964 ( -3.971 0.000 -2.923) 4.931 6.964 ( 3.971 0.000 -2.923) 4.931 7.517 ( -7.024 0.000 -3.944) 8.056 7.517 ( 7.024 0.000 -3.944) 8.056 7.804 ( -5.029 0.000 0.625) 5.067 7.804 ( 5.029 0.000 0.625) 5.067 7.861 ( -0.241 0.000 -0.640) 0.684 7.861 ( 0.241 0.000 -0.640) 0.684 7.989 ( -0.132 0.000 0.198) 0.238 7.989 ( 0.132 0.000 0.198) 0.238 8.267 ( -6.038 0.000 4.371) 7.454 8.267 ( 6.038 0.000 4.371) 7.454 11.833 ( -2.071 0.000 -0.679) 2.179 11.833 ( 2.071 0.000 -0.679) 2.179 12.059 ( -1.141 0.000 0.586) 1.283 12.059 ( 1.141 0.000 0.586) 1.283 12.570 ( -16.537 0.000 4.002) 17.014 12.570 ( 16.537 0.000 4.002) 17.014 13.059 ( -13.344 0.000 -13.607) 19.059 13.059 ( 13.344 0.000 -13.607) 19.059 14.209 ( -0.809 0.000 0.440) 0.921 14.209 ( 0.809 0.000 0.440) 0.921 14.448 ( -2.320 0.000 -0.591) 2.394 14.448 ( 2.320 0.000 -0.591) 2.394 17.229 ( -0.354 0.000 4.527) 4.541 17.229 ( 0.354 0.000 4.527) 4.541 17.423 ( -1.203 0.000 -4.379) 4.542 17.423 ( 1.203 0.000 -4.379) 4.542 17.898 ( -2.247 0.000 0.366) 2.277 17.898 ( 2.247 0.000 0.366) 2.277 18.142 ( -2.071 0.000 -0.497) 2.130 18.142 ( 2.071 0.000 -0.497) 2.130 18.908 ( -0.161 0.000 -1.210) 1.221 18.908 ( 0.161 0.000 -1.210) 1.221 19.296 ( -1.408 0.000 1.829) 2.308 19.296 ( 1.408 0.000 1.829) 2.308 29.077 ( -0.037 0.000 1.335) 1.336 29.077 ( 0.037 0.000 1.335) 1.336 29.619 ( -0.948 0.000 1.241) 1.562 29.619 ( 0.948 0.000 1.241) 1.562 29.862 ( -0.679 0.000 -1.121) 1.310 29.862 ( 0.679 0.000 -1.121) 1.310 30.214 ( -1.412 0.000 -1.406) 1.993 30.214 ( 1.412 0.000 -1.406) 1.993 33.282 ( -2.930 0.000 2.126) 3.620 33.282 ( 2.930 0.000 2.126) 3.620 34.170 ( -7.345 0.000 2.849) 7.878 34.170 ( 7.345 0.000 2.849) 7.878 35.329 ( -5.230 0.000 3.548) 6.320 35.329 ( 5.230 0.000 3.548) 6.320 36.591 ( -1.497 0.000 -5.588) 5.785 36.591 ( 1.497 0.000 -5.588) 5.785 ======================= Grid point 154 (53/80) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 26.077 0.893) 26.092 1.643 ( 0.000 36.104 -2.349) 36.180 2.300 ( 0.000 3.159 35.675) 35.815 2.452 ( 0.000 11.475 12.386) 16.884 2.529 ( 0.000 14.916 7.912) 16.885 2.835 ( 0.000 -1.581 24.572) 24.622 3.028 ( 0.000 18.263 3.564) 18.608 3.039 ( 0.000 5.684 4.575) 7.296 3.235 ( 0.000 3.800 5.524) 6.705 3.428 ( 0.000 0.414 -0.729) 0.838 3.593 ( 0.000 -2.476 4.442) 5.086 3.704 ( 0.000 -1.531 9.585) 9.707 3.778 ( 0.000 5.204 0.347) 5.216 3.883 ( 0.000 -0.338 10.921) 10.927 4.140 ( 0.000 -2.232 -15.700) 15.858 4.223 ( 0.000 -4.269 -5.130) 6.673 4.380 ( 0.000 13.552 -5.241) 14.530 4.531 ( 0.000 8.577 -10.711) 13.722 4.575 ( 0.000 0.025 7.352) 7.352 4.693 ( 0.000 7.263 4.075) 8.328 5.048 ( 0.000 4.895 9.321) 10.528 5.259 ( 0.000 1.214 -0.109) 1.219 5.536 ( 0.000 0.238 5.929) 5.934 5.565 ( 0.000 -2.722 -0.674) 2.805 5.684 ( 0.000 5.523 0.320) 5.532 5.784 ( 0.000 3.609 -2.589) 4.441 6.053 ( 0.000 2.115 3.355) 3.966 6.066 ( 0.000 1.617 8.816) 8.963 6.321 ( 0.000 1.299 -9.168) 9.260 6.404 ( 0.000 0.775 11.080) 11.107 6.595 ( 0.000 1.844 0.797) 2.009 6.803 ( 0.000 3.655 -14.364) 14.821 6.871 ( 0.000 0.880 -8.689) 8.733 7.080 ( 0.000 -0.576 -16.212) 16.222 7.398 ( 0.000 -6.361 8.054) 10.263 7.631 ( 0.000 -3.457 -0.380) 3.477 7.704 ( 0.000 -9.732 2.040) 9.943 7.808 ( 0.000 -1.240 -2.520) 2.809 7.904 ( 0.000 -4.767 0.569) 4.801 7.922 ( 0.000 0.653 0.540) 0.848 7.989 ( 0.000 1.322 5.164) 5.331 8.287 ( 0.000 2.174 -7.399) 7.712 8.628 ( 0.000 1.743 12.805) 12.923 9.372 ( 0.000 1.669 -21.532) 21.597 11.528 ( 0.000 -3.418 1.396) 3.692 11.578 ( 0.000 -4.248 -0.909) 4.344 11.736 ( 0.000 3.576 0.343) 3.592 11.754 ( 0.000 3.750 -0.700) 3.815 12.230 ( 0.000 -0.136 0.205) 0.245 12.235 ( 0.000 -0.233 -0.027) 0.234 13.424 ( 0.000 1.019 3.184) 3.343 13.508 ( 0.000 0.885 -2.740) 2.879 14.167 ( 0.000 -1.407 2.642) 2.994 14.244 ( 0.000 -2.211 -1.062) 2.453 14.499 ( 0.000 -1.200 2.050) 2.375 14.622 ( 0.000 -2.236 -3.178) 3.885 17.211 ( 0.000 0.022 3.781) 3.781 17.237 ( 0.000 -0.224 4.939) 4.944 17.378 ( 0.000 -0.506 -4.244) 4.274 17.454 ( 0.000 -1.787 -5.279) 5.573 17.699 ( 0.000 0.265 0.407) 0.486 17.716 ( 0.000 0.515 -0.397) 0.650 18.203 ( 0.000 0.191 0.889) 0.910 18.219 ( 0.000 -0.030 -0.072) 0.078 18.945 ( 0.000 1.482 -0.508) 1.567 18.948 ( 0.000 0.841 -0.200) 0.864 19.154 ( 0.000 -1.117 2.544) 2.779 19.240 ( 0.000 -3.231 -1.499) 3.562 29.092 ( 0.000 1.710 0.554) 1.797 29.133 ( 0.000 4.657 -2.126) 5.119 29.605 ( 0.000 0.306 -0.972) 1.019 29.634 ( 0.000 -1.534 -0.410) 1.587 29.927 ( 0.000 6.009 0.585) 6.037 29.976 ( 0.000 7.295 -0.865) 7.346 30.242 ( 0.000 5.992 0.880) 6.056 30.378 ( 0.000 7.980 -5.571) 9.733 33.047 ( 0.000 2.068 -0.363) 2.100 33.080 ( 0.000 0.401 -3.126) 3.151 34.666 ( 0.000 2.228 7.431) 7.758 34.773 ( 0.000 1.724 2.544) 3.073 35.076 ( 0.000 -1.460 13.675) 13.752 35.460 ( 0.000 0.995 -7.375) 7.442 36.219 ( 0.000 -18.182 1.774) 18.269 36.332 ( 0.000 -8.396 -5.999) 10.319 ======================= Grid point 155 (54/80) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 9.468 35.739 -0.433) 36.975 1.735 ( 11.406 30.090 -0.305) 32.181 2.477 ( 9.010 6.169 18.567) 21.540 2.558 ( 11.602 7.930 15.265) 20.748 2.667 ( 16.508 9.628 13.136) 23.190 2.990 ( 9.056 -0.695 14.685) 17.267 3.010 ( 1.236 12.668 6.669) 14.369 3.122 ( 7.416 9.247 5.596) 13.108 3.229 ( -0.272 6.885 7.472) 10.164 3.493 ( 5.757 2.318 -0.433) 6.221 3.612 ( 1.530 -4.887 5.125) 7.245 3.742 ( 0.617 -0.077 -2.347) 2.428 3.780 ( 7.947 -3.574 0.845) 8.755 3.935 ( 2.938 -2.894 3.661) 5.515 4.092 ( -5.237 7.744 -0.754) 9.379 4.311 ( 11.430 2.325 -9.452) 15.013 4.375 ( -0.721 4.633 4.830) 6.731 4.518 ( -1.233 7.924 -3.364) 8.697 4.591 ( 0.028 4.134 2.717) 4.947 4.805 ( 7.477 -1.792 2.047) 7.956 5.055 ( 1.776 6.465 4.925) 8.319 5.207 ( -4.396 3.817 0.094) 5.823 5.526 ( -0.467 0.364 5.449) 5.482 5.565 ( 0.734 -1.257 0.272) 1.480 5.640 ( -4.597 5.181 2.021) 7.216 5.747 ( -3.445 4.146 -1.021) 5.486 5.967 ( -8.752 2.451 1.570) 9.223 6.056 ( -0.194 2.072 5.635) 6.006 6.190 ( -10.733 2.277 -7.919) 13.531 6.468 ( -0.269 -0.197 5.341) 5.351 6.513 ( 0.256 2.104 -0.289) 2.139 6.892 ( 2.216 -0.040 -4.718) 5.212 6.959 ( 8.363 0.672 -13.118) 15.572 7.085 ( 1.756 0.567 -9.519) 9.696 7.306 ( -8.132 -3.879 6.517) 11.120 7.612 ( -2.239 -6.880 -2.443) 7.637 7.691 ( -1.071 -6.380 2.812) 7.055 7.781 ( -2.091 -1.994 -1.914) 3.466 7.894 ( -1.164 -3.502 0.159) 3.693 7.897 ( -2.532 1.315 1.337) 3.151 7.971 ( -0.614 -1.273 1.928) 2.391 8.175 ( -9.072 2.980 -6.918) 11.792 8.573 ( -5.595 2.248 12.262) 13.664 9.120 ( -20.732 3.371 -10.631) 23.542 11.598 ( 5.910 -1.978 1.663) 6.450 11.689 ( 5.488 -1.452 -2.817) 6.337 11.851 ( 11.712 2.412 1.289) 12.027 11.981 ( 22.760 -0.567 -7.328) 23.917 12.195 ( -3.155 -0.162 0.363) 3.180 12.207 ( -2.838 -0.296 -0.178) 2.859 13.325 ( -9.242 1.040 3.680) 10.002 13.465 ( -4.795 0.323 -4.649) 6.687 14.170 ( 0.348 -1.215 2.236) 2.568 14.232 ( -0.963 -1.840 -0.710) 2.195 14.470 ( -2.518 -1.389 1.818) 3.403 14.585 ( -3.529 -2.376 -3.053) 5.237 17.214 ( 0.195 -0.038 3.758) 3.763 17.235 ( -0.192 -0.279 4.776) 4.788 17.377 ( 0.010 -0.970 -4.039) 4.154 17.445 ( -0.876 -1.930 -5.101) 5.524 17.742 ( 3.861 0.526 0.641) 3.949 17.777 ( 5.480 0.451 -0.986) 5.586 18.178 ( -2.099 0.262 1.116) 2.392 18.214 ( -0.773 -0.044 -0.383) 0.864 18.941 ( -0.617 0.935 -0.382) 1.184 18.943 ( -0.301 1.414 -0.787) 1.646 19.169 ( 1.480 -1.829 2.830) 3.680 19.245 ( 0.470 -3.527 -0.855) 3.659 29.093 ( 0.134 1.789 0.406) 1.839 29.129 ( -0.361 4.436 -1.941) 4.855 29.598 ( -0.532 -0.491 -0.391) 0.823 29.628 ( -0.540 -1.469 -0.408) 1.618 29.928 ( 0.112 6.353 0.596) 6.382 29.971 ( -0.471 7.476 -0.658) 7.520 30.248 ( 0.614 6.042 0.579) 6.101 30.366 ( -1.130 7.847 -5.038) 9.394 33.091 ( 4.382 2.210 0.378) 4.922 33.147 ( 6.101 1.454 -2.626) 6.800 34.457 ( -14.685 1.608 10.446) 18.093 34.717 ( -10.947 1.158 0.922) 11.047 35.088 ( 4.059 -1.178 11.768) 12.504 35.459 ( -0.686 1.072 -5.875) 6.012 36.288 ( 5.730 -15.932 -0.690) 16.945 36.383 ( 4.151 -9.465 -5.608) 11.759 ======================= Grid point 156 (55/80) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 8.760 38.084 2.892) 39.185 1.962 ( 8.070 35.446 0.299) 36.354 2.640 ( 6.437 6.060 8.986) 12.606 2.734 ( 5.960 5.463 2.984) 8.618 3.016 ( 4.742 5.072 12.387) 14.200 3.060 ( -1.116 8.186 8.771) 12.050 3.120 ( 15.405 7.326 12.393) 21.084 3.285 ( 6.518 0.990 7.193) 9.757 3.313 ( 9.366 5.536 4.512) 11.779 3.578 ( 3.688 -3.720 -1.034) 5.340 3.683 ( 5.771 -1.429 2.240) 6.353 3.776 ( -2.010 -2.988 -11.915) 12.447 3.921 ( 2.598 0.809 -6.216) 6.785 3.990 ( 1.814 7.400 2.533) 8.029 4.178 ( 9.411 0.383 5.664) 10.990 4.299 ( -3.626 3.437 -7.198) 8.762 4.491 ( 4.343 10.016 -0.326) 10.922 4.562 ( 2.691 -2.894 6.399) 7.520 4.675 ( 18.576 3.074 12.722) 22.724 4.930 ( 5.380 2.957 9.787) 11.554 5.109 ( 0.398 4.311 -1.313) 4.524 5.130 ( 0.035 3.083 -0.851) 3.199 5.466 ( -8.968 2.048 0.662) 9.222 5.514 ( -4.244 -0.588 5.684) 7.118 5.623 ( -5.105 1.526 5.646) 7.763 5.635 ( -0.358 6.405 -1.490) 6.585 5.728 ( -14.473 2.778 -2.585) 14.963 5.952 ( -13.016 1.215 -2.790) 13.367 6.092 ( 5.568 4.682 4.566) 8.589 6.348 ( -4.547 2.419 -3.176) 6.051 6.659 ( 7.622 -0.550 0.437) 7.655 6.877 ( -3.543 -2.010 -7.414) 8.459 6.986 ( -3.299 0.330 -2.461) 4.129 7.101 ( -7.931 0.264 -2.661) 8.370 7.274 ( 10.416 -2.228 0.056) 10.652 7.541 ( -3.986 -8.327 -3.356) 9.823 7.694 ( 2.139 -1.280 1.584) 2.954 7.758 ( 0.641 -2.469 -1.932) 3.200 7.843 ( -2.139 -1.497 -0.276) 2.625 7.852 ( -3.113 -2.157 -0.881) 3.888 7.980 ( 1.438 -0.500 0.780) 1.711 8.041 ( -2.359 1.577 -3.143) 4.234 8.413 ( -9.183 3.271 9.676) 13.735 8.673 ( -21.841 4.765 -0.377) 22.358 11.731 ( 6.899 -0.057 1.014) 6.973 11.794 ( 5.025 0.287 -2.019) 5.423 12.104 ( -4.863 -0.719 0.782) 4.978 12.125 ( -4.049 -0.633 -0.286) 4.108 12.188 ( 19.396 1.406 3.747) 19.805 12.486 ( 22.824 -1.922 -12.899) 26.287 13.076 ( -14.260 0.345 3.045) 14.586 13.305 ( -11.138 -0.981 -8.917) 14.302 14.184 ( 1.035 -0.748 1.294) 1.818 14.215 ( -0.642 -1.019 -0.061) 1.206 14.419 ( -1.907 -2.035 0.982) 2.956 14.495 ( -4.811 -2.664 -2.329) 5.972 17.218 ( 0.265 -0.220 3.778) 3.794 17.230 ( -0.294 -0.381 4.390) 4.416 17.382 ( 0.508 -1.748 -3.956) 4.355 17.422 ( -1.280 -2.208 -4.679) 5.329 17.836 ( 4.882 1.119 1.118) 5.132 17.891 ( 4.574 0.896 -1.342) 4.850 18.134 ( -1.724 0.061 1.197) 2.099 18.185 ( -2.046 -0.185 -0.834) 2.217 18.927 ( -0.623 1.198 -0.740) 1.540 18.933 ( -0.673 1.363 -1.132) 1.895 19.209 ( 2.277 -3.327 2.921) 4.979 19.254 ( 0.240 -4.131 0.691) 4.195 29.098 ( 0.340 2.124 -0.015) 2.151 29.119 ( -0.596 3.747 -1.387) 4.040 29.591 ( -0.037 -1.657 0.260) 1.678 29.613 ( -0.831 -1.743 -0.183) 1.940 29.933 ( 0.390 7.126 0.547) 7.157 29.959 ( -0.731 7.797 -0.178) 7.833 30.267 ( 1.284 6.330 -0.375) 6.470 30.336 ( -1.785 7.456 -3.633) 8.484 33.212 ( 7.086 3.528 2.435) 8.282 33.289 ( 6.568 3.617 -0.777) 7.538 34.185 ( -9.977 -0.184 9.587) 13.838 34.414 ( -16.370 -0.805 1.125) 16.429 35.209 ( 6.808 0.143 7.191) 9.903 35.423 ( -2.987 1.144 -1.840) 3.690 36.401 ( 4.767 -12.964 -3.644) 14.285 36.456 ( 2.386 -10.839 -5.502) 12.387 ======================= Grid point 157 (56/80) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -1.495 38.641 2.770) 38.769 2.030 ( 1.495 38.641 2.770) 38.769 2.741 ( -3.941 5.293 4.838) 8.182 2.741 ( 3.941 5.293 4.838) 8.182 3.056 ( -0.302 8.593 8.141) 11.841 3.056 ( 0.302 8.593 8.141) 11.841 3.299 ( -3.298 -1.156 8.426) 9.122 3.299 ( 3.298 -1.156 8.426) 9.122 3.571 ( -11.100 -2.479 -3.062) 11.778 3.571 ( 11.100 -2.479 -3.062) 11.778 3.753 ( -3.186 -0.850 -0.502) 3.335 3.753 ( 3.186 -0.850 -0.502) 3.335 3.968 ( -2.566 9.525 3.596) 10.499 3.968 ( 2.566 9.525 3.596) 10.499 4.182 ( -5.715 1.277 -8.625) 10.425 4.182 ( 5.715 1.277 -8.625) 10.425 4.696 ( -0.939 1.609 6.349) 6.617 4.696 ( 0.939 1.609 6.349) 6.617 4.984 ( -5.827 3.740 4.341) 8.173 4.984 ( 5.827 3.740 4.341) 8.173 5.108 ( -4.457 6.823 1.108) 8.225 5.108 ( 4.457 6.823 1.108) 8.225 5.432 ( -3.468 -5.243 0.684) 6.323 5.432 ( 3.468 -5.243 0.684) 6.323 5.448 ( -6.130 1.178 8.250) 10.346 5.448 ( 6.130 1.178 8.250) 10.346 5.718 ( -6.467 6.748 2.205) 9.603 5.718 ( 6.467 6.748 2.205) 9.603 6.260 ( -6.923 4.202 -0.239) 8.101 6.260 ( 6.923 4.202 -0.239) 8.101 6.778 ( -5.579 -2.078 -6.736) 8.990 6.778 ( 5.579 -2.078 -6.736) 8.990 6.971 ( -3.778 1.377 -1.889) 4.442 6.971 ( 3.778 1.377 -1.889) 4.442 7.448 ( -6.050 -5.770 -2.340) 8.682 7.448 ( 6.050 -5.770 -2.340) 8.682 7.774 ( -3.946 -0.341 0.875) 4.056 7.774 ( 3.946 -0.341 0.875) 4.056 7.805 ( -1.686 -5.226 -1.650) 5.734 7.805 ( 1.686 -5.226 -1.650) 5.734 8.030 ( -2.260 2.192 0.755) 3.238 8.030 ( 2.260 2.192 0.755) 3.238 8.338 ( -7.286 4.507 4.268) 9.571 8.338 ( 7.286 4.507 4.268) 9.571 11.841 ( -2.276 0.855 -0.634) 2.512 11.841 ( 2.276 0.855 -0.634) 2.512 12.048 ( -1.280 -1.122 0.377) 1.743 12.048 ( 1.280 -1.122 0.377) 1.743 12.588 ( -16.640 1.711 3.719) 17.136 12.588 ( 16.640 1.711 3.719) 17.136 13.032 ( -14.072 -2.722 -12.083) 18.746 13.032 ( 14.072 -2.722 -12.083) 18.746 14.203 ( -0.717 -0.449 0.503) 0.984 14.203 ( 0.717 -0.449 0.503) 0.984 14.418 ( -2.162 -2.722 -0.674) 3.541 14.418 ( 2.162 -2.722 -0.674) 3.541 17.224 ( -0.295 -0.381 3.994) 4.023 17.224 ( 0.295 -0.381 3.994) 4.023 17.398 ( -1.075 -2.219 -4.223) 4.890 17.398 ( 1.075 -2.219 -4.223) 4.890 17.915 ( -2.265 1.593 0.450) 2.806 17.915 ( 2.265 1.593 0.450) 2.806 18.138 ( -2.092 -0.432 -0.346) 2.164 18.138 ( 2.092 -0.432 -0.346) 2.164 18.922 ( -0.199 1.356 -1.067) 1.737 18.922 ( 0.199 1.356 -1.067) 1.737 19.246 ( -1.160 -4.256 2.178) 4.919 19.246 ( 1.160 -4.256 2.178) 4.919 29.107 ( -0.556 2.830 -0.655) 2.958 29.107 ( 0.556 2.830 -0.655) 2.958 29.598 ( -0.627 -2.056 0.196) 2.159 29.598 ( 0.627 -2.056 0.196) 2.159 29.944 ( -0.682 7.746 0.293) 7.781 29.944 ( 0.682 7.746 0.293) 7.781 30.299 ( -1.782 6.882 -1.896) 7.357 30.299 ( 1.782 6.882 -1.896) 7.357 33.333 ( -3.180 5.072 2.912) 6.657 33.333 ( 3.180 5.072 2.912) 6.657 34.150 ( -7.376 -1.981 3.380) 8.352 34.150 ( 7.376 -1.981 3.380) 8.352 35.337 ( -5.500 0.926 2.966) 6.317 35.337 ( 5.500 0.926 2.966) 6.317 36.466 ( -1.461 -11.600 -5.095) 12.754 36.466 ( 1.461 -11.600 -5.095) 12.754 ======================= Grid point 161 (57/80) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.000 11.730 8.515) 14.494 2.143 ( 0.000 11.043 -3.311) 11.529 2.408 ( 0.000 6.658 28.970) 29.725 2.702 ( 0.000 2.105 24.785) 24.874 2.851 ( 0.000 12.202 13.017) 17.842 2.934 ( 0.000 18.060 17.823) 25.374 3.162 ( 0.000 5.335 7.622) 9.303 3.339 ( 0.000 11.361 -4.373) 12.174 3.432 ( 0.000 9.545 7.754) 12.297 3.441 ( 0.000 2.031 0.622) 2.124 3.542 ( 0.000 -1.893 7.584) 7.817 3.681 ( 0.000 1.322 2.715) 3.020 3.820 ( 0.000 -3.180 1.523) 3.526 3.908 ( 0.000 5.277 -10.952) 12.157 4.034 ( 0.000 -7.914 -7.929) 11.203 4.121 ( 0.000 -4.210 -1.364) 4.426 4.544 ( 0.000 -1.261 -7.096) 7.207 4.690 ( 0.000 7.492 1.176) 7.584 4.814 ( 0.000 12.548 -3.885) 13.136 4.852 ( 0.000 8.973 -3.664) 9.692 5.221 ( 0.000 14.546 6.270) 15.840 5.345 ( 0.000 8.873 -0.184) 8.875 5.552 ( 0.000 1.242 8.210) 8.303 5.571 ( 0.000 3.772 5.709) 6.843 5.824 ( 0.000 6.504 3.051) 7.184 5.861 ( 0.000 3.587 3.813) 5.235 6.124 ( 0.000 4.742 2.685) 5.450 6.130 ( 0.000 4.901 2.937) 5.714 6.354 ( 0.000 1.717 -6.851) 7.063 6.413 ( 0.000 0.100 5.713) 5.714 6.647 ( 0.000 2.863 0.670) 2.940 6.863 ( 0.000 -0.426 -9.915) 9.924 6.901 ( 0.000 2.092 -11.989) 12.170 7.067 ( 0.000 -0.713 -17.075) 17.089 7.370 ( 0.000 6.631 4.534) 8.033 7.439 ( 0.000 -6.251 1.787) 6.502 7.663 ( 0.000 -2.650 3.023) 4.020 7.777 ( 0.000 -2.996 0.393) 3.022 7.814 ( 0.000 -2.286 2.282) 3.230 7.860 ( 0.000 -5.262 -4.660) 7.029 8.035 ( 0.000 2.985 7.168) 7.764 8.291 ( 0.000 -1.284 -5.889) 6.027 8.639 ( 0.000 -0.979 13.819) 13.854 9.276 ( 0.000 -11.910 -14.530) 18.788 11.466 ( 0.000 -2.387 0.962) 2.573 11.499 ( 0.000 -3.304 -0.597) 3.357 11.805 ( 0.000 2.855 0.404) 2.884 11.819 ( 0.000 2.513 -0.386) 2.542 12.227 ( 0.000 -0.069 -0.169) 0.182 12.230 ( 0.000 -0.213 -0.269) 0.343 13.455 ( 0.000 1.901 3.675) 4.137 13.527 ( 0.000 0.669 -1.294) 1.456 14.133 ( 0.000 -1.528 2.118) 2.612 14.191 ( 0.000 -2.671 -0.706) 2.763 14.472 ( 0.000 -1.122 1.316) 1.730 14.562 ( 0.000 -3.311 -2.611) 4.217 17.217 ( 0.000 0.621 2.854) 2.921 17.238 ( 0.000 0.433 3.274) 3.303 17.362 ( 0.000 -0.995 -4.226) 4.342 17.409 ( 0.000 -2.412 -4.683) 5.268 17.706 ( 0.000 0.405 0.297) 0.502 17.724 ( 0.000 0.159 -0.417) 0.446 18.208 ( 0.000 0.282 0.867) 0.911 18.218 ( 0.000 -0.058 0.261) 0.267 18.974 ( 0.000 1.551 0.288) 1.578 18.982 ( 0.000 1.831 -0.371) 1.868 19.128 ( 0.000 -1.187 1.463) 1.884 19.170 ( 0.000 -3.051 -0.337) 3.070 29.150 ( 0.000 3.832 0.032) 3.832 29.233 ( 0.000 4.471 -3.810) 5.874 29.589 ( 0.000 -1.599 -3.227) 3.602 29.607 ( 0.000 -1.052 -1.353) 1.714 30.078 ( 0.000 7.716 1.228) 7.813 30.166 ( 0.000 8.975 -3.659) 9.693 30.378 ( 0.000 6.688 -0.714) 6.726 30.539 ( 0.000 6.137 -8.449) 10.443 33.103 ( 0.000 1.873 -0.911) 2.082 33.105 ( 0.000 3.125 -0.139) 3.128 34.748 ( 0.000 6.156 9.447) 11.276 34.826 ( 0.000 3.320 5.223) 6.189 35.035 ( 0.000 -2.409 13.610) 13.822 35.502 ( 0.000 3.374 -10.467) 10.997 35.761 ( 0.000 -23.909 10.940) 26.293 36.104 ( 0.000 -12.838 -9.107) 15.740 ======================= Grid point 162 (58/80) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 17.084 12.172 4.992) 21.563 2.257 ( 11.183 11.717 -0.370) 16.201 2.613 ( 15.507 6.881 25.399) 30.544 2.831 ( 4.491 6.084 11.652) 13.891 2.892 ( 10.938 14.505 15.598) 23.944 3.050 ( 8.850 11.332 14.195) 20.205 3.218 ( 1.937 7.182 3.336) 8.153 3.315 ( 3.389 5.934 7.224) 9.944 3.434 ( 1.844 9.681 4.612) 10.881 3.504 ( -0.869 -2.294 2.898) 3.797 3.627 ( 7.839 7.712 2.171) 11.208 3.666 ( 4.480 -3.960 2.181) 6.365 3.763 ( -2.820 -0.706 -7.714) 8.244 3.837 ( -0.507 -3.822 -4.198) 5.700 4.188 ( 5.058 1.537 -2.334) 5.778 4.321 ( 17.581 -2.309 2.469) 17.903 4.469 ( -3.543 -0.367 -4.775) 5.958 4.618 ( -3.551 6.068 -3.556) 7.878 4.798 ( -3.797 6.471 3.245) 8.175 4.828 ( -3.633 5.351 -5.555) 8.526 5.252 ( 1.531 14.593 5.333) 15.612 5.364 ( 1.782 11.991 1.150) 12.177 5.541 ( -1.344 1.152 7.483) 7.690 5.617 ( 5.227 6.001 4.718) 9.252 5.774 ( -4.766 6.738 5.359) 9.840 5.845 ( -2.387 4.735 1.659) 5.556 6.049 ( -7.316 5.438 -2.520) 9.457 6.115 ( -1.633 3.578 0.496) 3.964 6.263 ( -7.716 4.776 -5.077) 10.398 6.447 ( 1.252 -1.653 4.640) 5.083 6.573 ( -2.674 3.521 -3.104) 5.402 6.863 ( -1.190 -3.626 -6.531) 7.564 6.981 ( 5.209 1.789 -9.145) 10.676 7.115 ( 4.802 1.166 -10.744) 11.826 7.307 ( -5.931 6.036 3.792) 9.273 7.417 ( -2.110 -5.474 0.847) 5.927 7.652 ( -0.776 -2.747 2.002) 3.487 7.733 ( -3.442 -3.516 -0.739) 4.976 7.817 ( 0.501 -2.159 1.933) 2.941 7.866 ( 0.915 -5.771 -3.114) 6.621 7.974 ( -5.255 2.769 5.649) 8.197 8.186 ( -8.991 -1.188 -5.497) 10.605 8.594 ( -4.845 -0.645 13.016) 13.903 9.083 ( -16.745 -8.143 -7.703) 20.151 11.560 ( 8.170 -1.333 1.268) 8.375 11.643 ( 9.372 -2.833 -2.991) 10.238 11.904 ( 10.368 2.444 0.880) 10.689 11.970 ( 16.227 -0.392 -3.206) 16.545 12.191 ( -3.200 -0.170 -0.084) 3.206 12.200 ( -3.058 -0.374 -0.454) 3.114 13.357 ( -9.341 2.007 3.913) 10.324 13.467 ( -6.230 -0.304 -2.711) 6.801 14.141 ( 0.791 -1.295 1.818) 2.368 14.189 ( -0.079 -2.158 -0.540) 2.226 14.438 ( -3.054 -1.397 1.080) 3.528 14.522 ( -3.801 -3.429 -2.546) 5.718 17.217 ( 0.029 0.538 2.676) 2.730 17.235 ( -0.307 0.388 3.081) 3.120 17.351 ( -0.853 -1.434 -3.829) 4.177 17.397 ( -1.179 -2.571 -4.494) 5.310 17.755 ( 4.450 0.689 0.562) 4.538 17.784 ( 5.533 0.115 -0.655) 5.573 18.185 ( -2.005 0.417 1.097) 2.323 18.211 ( -0.939 -0.211 0.027) 0.963 18.969 ( -0.432 1.625 0.172) 1.690 18.979 ( -0.349 1.787 -0.541) 1.900 19.127 ( 0.018 -1.850 1.907) 2.657 19.168 ( -0.204 -3.421 0.063) 3.427 29.153 ( 0.379 3.986 -0.319) 4.017 29.230 ( -0.331 4.857 -3.993) 6.296 29.563 ( -1.929 -2.384 -1.828) 3.570 29.600 ( -1.010 -1.576 -2.161) 2.859 30.089 ( 1.057 8.315 1.366) 8.492 30.170 ( 0.272 9.854 -3.152) 10.349 30.379 ( 0.177 5.905 -0.321) 5.916 30.523 ( -1.501 5.903 -7.530) 9.685 33.153 ( 5.800 3.647 1.032) 6.928 33.197 ( 7.899 3.079 -0.883) 8.524 34.514 ( -16.071 4.002 12.087) 20.503 34.746 ( -14.696 1.101 5.393) 15.693 35.070 ( 6.980 0.307 9.983) 12.185 35.502 ( -0.570 3.130 -9.130) 9.669 35.874 ( 8.887 -21.671 6.756) 24.378 36.140 ( 2.805 -13.413 -7.946) 15.841 ======================= Grid point 163 (59/80) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 14.279 14.836 4.764) 21.135 2.558 ( 15.948 14.052 -0.623) 21.264 2.814 ( 3.428 10.703 15.840) 19.422 2.920 ( 3.296 13.217 2.544) 13.857 3.067 ( 2.952 1.829 10.748) 11.296 3.166 ( 2.367 5.200 7.802) 9.671 3.337 ( 9.086 6.012 6.460) 12.667 3.353 ( -5.740 6.022 3.194) 8.911 3.472 ( 8.169 5.056 3.706) 10.297 3.534 ( 4.614 1.810 2.507) 5.555 3.653 ( -1.170 -0.001 -5.097) 5.229 3.759 ( 0.952 2.076 -5.903) 6.329 3.942 ( 15.653 0.407 -0.502) 15.666 4.010 ( 8.976 -2.273 0.332) 9.265 4.256 ( 6.920 3.991 7.753) 11.132 4.416 ( -5.410 4.261 2.015) 7.175 4.514 ( -0.526 -0.548 2.100) 2.234 4.661 ( 2.505 4.814 -6.282) 8.301 4.762 ( 13.804 4.796 5.270) 15.535 4.892 ( 13.268 -4.545 -0.792) 14.047 5.219 ( -4.810 11.408 6.028) 13.770 5.402 ( 0.800 14.878 5.261) 15.801 5.476 ( -5.666 0.279 3.979) 6.929 5.585 ( -11.591 5.855 5.460) 14.087 5.679 ( -9.091 3.815 5.836) 11.457 5.781 ( -4.804 6.319 -5.982) 9.939 5.840 ( -8.159 8.827 -0.603) 12.035 6.000 ( -8.664 3.849 -3.042) 9.957 6.232 ( 6.943 8.855 0.383) 11.258 6.410 ( -1.178 3.074 -4.452) 5.537 6.638 ( 5.096 -0.755 -1.548) 5.379 6.808 ( -4.038 -3.883 -7.519) 9.377 7.024 ( -0.793 3.330 -1.268) 3.650 7.157 ( -7.542 4.387 2.790) 9.160 7.236 ( 5.637 -0.637 -4.415) 7.189 7.377 ( -1.557 -5.692 -2.018) 6.237 7.652 ( 1.099 -3.170 0.115) 3.357 7.682 ( -1.049 -4.987 -1.156) 5.226 7.831 ( -0.811 1.044 2.664) 2.974 7.864 ( -1.621 2.943 1.429) 3.651 7.931 ( 4.263 -4.809 -0.079) 6.427 8.019 ( -4.932 -2.999 -3.321) 6.660 8.446 ( -8.877 -0.671 10.439) 13.720 8.695 ( -20.127 -3.813 0.254) 20.486 11.735 ( 8.386 0.486 0.830) 8.441 11.797 ( 6.546 -0.119 -2.085) 6.872 12.087 ( -5.435 -0.759 0.322) 5.497 12.110 ( -5.193 -0.786 -0.727) 5.302 12.224 ( 20.050 2.071 2.670) 20.333 12.425 ( 23.822 -3.774 -8.644) 25.621 13.094 ( -16.216 1.490 3.760) 16.713 13.270 ( -13.388 -2.492 -5.881) 14.833 14.167 ( 1.766 -0.673 1.102) 2.188 14.194 ( 0.590 -0.881 -0.243) 1.087 14.369 ( -3.167 -2.456 0.423) 4.030 14.426 ( -5.146 -3.707 -2.080) 6.675 17.218 ( 0.040 0.345 2.373) 2.398 17.227 ( -0.401 0.300 2.649) 2.696 17.338 ( -0.312 -2.309 -3.468) 4.178 17.367 ( -1.526 -2.887 -4.034) 5.190 17.865 ( 5.825 1.585 1.162) 6.148 17.911 ( 5.944 0.768 -0.781) 6.044 18.135 ( -2.705 0.055 1.375) 3.034 18.176 ( -2.530 -0.695 -0.299) 2.641 18.961 ( -0.294 1.962 -0.241) 1.999 18.969 ( -0.552 1.964 -0.721) 2.164 19.133 ( 0.596 -3.515 2.515) 4.363 19.162 ( -0.489 -4.297 1.120) 4.468 29.166 ( 0.947 4.482 -1.314) 4.765 29.217 ( -1.059 5.440 -3.871) 6.760 29.532 ( -0.773 -3.719 -0.936) 3.913 29.569 ( -1.851 -2.821 -2.029) 3.937 30.117 ( 1.641 9.690 1.339) 9.918 30.170 ( -0.482 11.158 -1.493) 11.268 30.393 ( 1.371 4.732 -0.697) 4.976 30.482 ( -2.400 5.344 -5.254) 7.869 33.319 ( 9.947 6.485 3.691) 12.435 33.396 ( 10.511 6.037 0.500) 12.131 34.187 ( -14.323 0.612 11.114) 18.140 34.384 ( -18.838 -2.281 4.388) 19.476 35.234 ( 8.317 2.862 5.494) 10.370 35.471 ( -2.705 3.895 -4.260) 6.375 36.044 ( 7.275 -19.597 0.130) 20.905 36.181 ( 0.625 -15.112 -6.257) 16.368 ======================= Grid point 164 (60/80) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -5.831 21.530 2.058) 22.401 2.714 ( 5.831 21.530 2.058) 22.401 2.863 ( -7.058 5.473 6.555) 11.079 2.863 ( 7.058 5.473 6.555) 11.079 3.150 ( -3.311 3.203 11.143) 12.057 3.150 ( 3.311 3.203 11.143) 12.057 3.336 ( -4.451 3.383 -0.666) 5.631 3.336 ( 4.451 3.383 -0.666) 5.631 3.579 ( -4.517 2.390 -4.210) 6.622 3.579 ( 4.517 2.390 -4.210) 6.622 3.754 ( -8.573 1.067 -0.498) 8.654 3.754 ( 8.573 1.067 -0.498) 8.654 4.126 ( -11.173 2.907 8.428) 14.294 4.126 ( 11.173 2.907 8.428) 14.294 4.207 ( -12.090 3.184 -1.969) 12.656 4.207 ( 12.090 3.184 -1.969) 12.656 4.794 ( -7.404 6.272 0.950) 9.750 4.794 ( 7.404 6.272 0.950) 9.750 4.999 ( -6.027 -0.904 0.473) 6.113 4.999 ( 6.027 -0.904 0.473) 6.113 5.261 ( -13.412 4.117 6.664) 15.532 5.261 ( 13.412 4.117 6.664) 15.532 5.380 ( -4.451 -0.228 -0.227) 4.462 5.380 ( 4.451 -0.228 -0.227) 4.462 5.563 ( -5.452 12.206 4.522) 14.112 5.563 ( 5.452 12.206 4.522) 14.112 5.866 ( -3.930 7.251 2.701) 8.678 5.866 ( 3.930 7.251 2.701) 8.678 6.389 ( -4.143 8.293 -3.672) 9.971 6.389 ( 4.143 8.293 -3.672) 9.971 6.715 ( -4.425 -3.233 -6.601) 8.579 6.715 ( 4.425 -3.233 -6.601) 8.579 7.037 ( -3.715 4.668 -0.086) 5.966 7.037 ( 3.715 4.668 -0.086) 5.966 7.329 ( -3.587 -5.087 -2.320) 6.643 7.329 ( 3.587 -5.087 -2.320) 6.643 7.675 ( -0.645 -5.426 -0.401) 5.479 7.675 ( 0.645 -5.426 -0.401) 5.479 7.825 ( -2.046 3.507 1.095) 4.205 7.825 ( 2.046 3.507 1.095) 4.205 8.022 ( -1.338 -2.743 1.064) 3.232 8.022 ( 1.338 -2.743 1.064) 3.232 8.371 ( -7.391 -2.379 5.112) 9.296 8.371 ( 7.391 -2.379 5.112) 9.296 11.869 ( -2.715 1.788 -0.579) 3.302 11.869 ( 2.715 1.788 -0.579) 3.302 12.015 ( -1.770 -2.012 -0.155) 2.684 12.015 ( 1.770 -2.012 -0.155) 2.684 12.638 ( -16.869 3.137 2.756) 17.378 12.638 ( 16.869 3.137 2.756) 17.378 12.948 ( -15.657 -5.213 -7.865) 18.281 12.948 ( 15.657 -5.213 -7.865) 18.281 14.198 ( -0.764 0.172 0.329) 0.849 14.198 ( 0.764 0.172 0.329) 0.849 14.346 ( -1.747 -3.918 -0.875) 4.378 14.346 ( 1.747 -3.918 -0.875) 4.378 17.220 ( -0.242 0.249 2.331) 2.356 17.220 ( 0.242 0.249 2.331) 2.356 17.343 ( -0.805 -2.893 -3.594) 4.683 17.343 ( 0.805 -2.893 -3.594) 4.683 17.960 ( -2.325 2.569 0.740) 3.543 17.960 ( 2.325 2.569 0.740) 3.543 18.119 ( -2.178 -1.482 0.143) 2.638 18.119 ( 2.178 -1.482 0.143) 2.638 18.960 ( -0.234 2.187 -0.616) 2.284 18.960 ( 0.234 2.187 -0.616) 2.284 19.148 ( -0.788 -4.642 2.214) 5.203 19.148 ( 0.788 -4.642 2.214) 5.203 29.191 ( -1.380 5.193 -2.729) 6.027 29.191 ( 1.380 5.193 -2.729) 6.027 29.536 ( -1.114 -3.870 -1.303) 4.233 29.536 ( 1.114 -3.870 -1.303) 4.233 30.149 ( -1.437 10.971 0.418) 11.073 30.149 ( 1.437 10.971 0.418) 11.073 30.433 ( -2.395 4.733 -2.668) 5.937 30.433 ( 2.395 4.733 -2.668) 5.937 33.493 ( -4.116 10.215 4.868) 12.041 33.493 ( 4.116 10.215 4.868) 12.041 34.083 ( -7.350 -4.776 4.834) 10.010 34.083 ( 7.350 -4.776 4.834) 10.010 35.383 ( -6.104 4.054 1.234) 7.431 35.383 ( 6.104 4.054 1.234) 7.431 36.153 ( -3.431 -17.423 -4.132) 18.232 36.153 ( 3.431 -17.423 -4.132) 18.232 ======================= Grid point 168 (61/80) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.000 6.543 10.982) 12.783 2.223 ( 0.000 -1.251 6.565) 6.683 2.545 ( 0.000 6.139 24.215) 24.981 2.653 ( 0.000 -4.248 22.234) 22.636 3.044 ( 0.000 7.766 15.844) 17.644 3.159 ( 0.000 -1.676 19.934) 20.005 3.303 ( 0.000 9.269 7.841) 12.140 3.440 ( 0.000 -4.282 6.373) 7.678 3.490 ( 0.000 2.036 2.624) 3.321 3.507 ( 0.000 -1.129 6.230) 6.332 3.582 ( 0.000 11.012 -1.013) 11.059 3.757 ( 0.000 -0.261 -7.025) 7.029 3.801 ( 0.000 1.315 -5.911) 6.056 3.857 ( 0.000 -7.018 3.601) 7.888 3.998 ( 0.000 3.444 -9.304) 9.921 4.056 ( 0.000 -2.525 -7.774) 8.174 4.553 ( 0.000 3.156 -12.719) 13.105 4.661 ( 0.000 -5.756 -9.084) 10.754 4.952 ( 0.000 2.641 -1.600) 3.088 4.967 ( 0.000 1.413 -1.659) 2.179 5.536 ( 0.000 4.612 6.978) 8.365 5.551 ( 0.000 4.183 7.456) 8.549 5.626 ( 0.000 12.162 6.077) 13.596 5.702 ( 0.000 6.413 3.681) 7.394 5.910 ( 0.000 1.867 6.612) 6.871 5.912 ( 0.000 1.229 7.767) 7.864 6.222 ( 0.000 3.617 1.462) 3.901 6.235 ( 0.000 3.094 0.854) 3.210 6.389 ( 0.000 1.552 -4.920) 5.159 6.409 ( 0.000 -0.474 -0.650) 0.804 6.704 ( 0.000 2.883 -1.687) 3.341 6.786 ( 0.000 -5.036 -5.748) 7.642 6.960 ( 0.000 3.774 -12.507) 13.064 7.037 ( 0.000 -2.690 -15.736) 15.964 7.442 ( 0.000 5.634 4.578) 7.260 7.560 ( 0.000 3.395 -1.393) 3.670 7.586 ( 0.000 -1.466 0.717) 1.632 7.634 ( 0.000 -8.193 4.317) 9.261 7.792 ( 0.000 0.011 -1.993) 1.993 7.812 ( 0.000 0.142 3.207) 3.210 8.147 ( 0.000 7.748 1.514) 7.894 8.253 ( 0.000 -2.413 -4.123) 4.778 8.635 ( 0.000 4.058 9.572) 10.397 8.917 ( 0.000 -20.069 -2.761) 20.258 11.435 ( 0.000 -0.480 0.465) 0.668 11.447 ( 0.000 -1.615 -0.095) 1.618 11.848 ( 0.000 1.251 0.272) 1.280 11.854 ( 0.000 0.726 -0.017) 0.726 12.227 ( 0.000 0.009 -0.500) 0.500 12.227 ( 0.000 -0.076 -0.515) 0.521 13.497 ( 0.000 1.983 3.098) 3.679 13.527 ( 0.000 -0.765 1.095) 1.336 14.117 ( 0.000 0.152 0.841) 0.855 14.141 ( 0.000 -2.018 -0.363) 2.051 14.464 ( 0.000 0.597 0.060) 0.600 14.498 ( 0.000 -2.580 -1.460) 2.964 17.237 ( 0.000 1.163 1.568) 1.952 17.249 ( 0.000 0.248 1.517) 1.538 17.344 ( 0.000 -0.331 -3.394) 3.410 17.362 ( 0.000 -1.898 -3.586) 4.058 17.715 ( 0.000 0.422 0.074) 0.429 17.722 ( 0.000 -0.262 -0.188) 0.322 18.214 ( 0.000 0.218 0.774) 0.804 18.217 ( 0.000 -0.095 0.573) 0.581 19.004 ( 0.000 1.036 0.372) 1.100 19.009 ( 0.000 0.599 0.053) 0.601 19.112 ( 0.000 -0.212 0.335) 0.396 19.124 ( 0.000 -1.389 -0.122) 1.394 29.237 ( 0.000 4.106 0.171) 4.110 29.287 ( 0.000 0.060 -1.184) 1.185 29.565 ( 0.000 -0.091 -4.436) 4.437 29.584 ( 0.000 -1.283 -3.452) 3.682 30.217 ( 0.000 5.217 0.377) 5.231 30.271 ( 0.000 0.684 -2.106) 2.215 30.516 ( 0.000 6.172 -6.840) 9.213 30.596 ( 0.000 -0.835 -9.931) 9.966 33.146 ( 0.000 1.764 0.615) 1.868 33.154 ( 0.000 1.184 0.489) 1.281 34.902 ( 0.000 3.724 9.198) 9.923 34.933 ( 0.000 9.994 11.335) 15.112 34.985 ( 0.000 -0.302 13.193) 13.197 35.287 ( 0.000 -20.180 12.366) 23.668 35.624 ( 0.000 7.962 -10.597) 13.254 35.837 ( 0.000 -12.223 -11.554) 16.820 ======================= Grid point 169 (62/80) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 15.463 4.461 9.448) 18.662 2.360 ( 12.527 0.658 8.465) 15.133 2.743 ( 15.838 5.551 18.533) 25.003 2.833 ( 13.845 -2.775 16.121) 21.430 3.104 ( 5.876 7.907 11.341) 15.022 3.240 ( 7.207 -3.324 12.938) 15.178 3.354 ( 1.037 6.777 7.804) 10.388 3.416 ( -1.083 7.332 6.294) 9.723 3.450 ( -4.144 -1.836 4.060) 6.085 3.524 ( 8.239 -2.599 6.641) 10.897 3.629 ( 3.223 3.272 -1.731) 4.908 3.711 ( -3.507 -3.457 -4.789) 6.869 3.789 ( 3.764 3.568 -5.763) 7.753 3.820 ( 1.856 0.745 -2.429) 3.146 4.222 ( 11.346 1.685 -1.913) 11.629 4.255 ( 15.554 -2.482 2.545) 15.955 4.478 ( -3.573 3.048 -12.084) 12.964 4.591 ( -4.106 -6.181 -8.522) 11.300 4.884 ( -6.415 3.080 -1.434) 7.259 4.910 ( -5.865 0.772 -2.432) 6.396 5.515 ( -2.170 5.523 6.570) 8.852 5.547 ( -1.347 1.017 6.511) 6.726 5.678 ( 3.586 13.648 7.798) 16.123 5.769 ( 4.222 5.720 4.758) 8.555 5.878 ( -2.779 2.651 5.704) 6.877 5.903 ( -1.965 0.575 3.578) 4.123 6.155 ( -5.820 3.857 -3.174) 7.669 6.186 ( -3.690 1.719 -1.781) 4.443 6.368 ( -2.006 4.435 -3.103) 5.773 6.419 ( 0.292 -0.995 -0.035) 1.038 6.653 ( -2.114 4.290 -4.670) 6.684 6.757 ( -1.641 -5.666 -6.056) 8.454 7.039 ( 5.533 3.539 -7.626) 10.064 7.106 ( 5.341 -2.125 -10.489) 11.961 7.394 ( -4.978 5.570 4.827) 8.894 7.498 ( -6.580 1.759 0.808) 6.859 7.599 ( 0.812 0.152 -1.058) 1.342 7.622 ( -0.720 -5.696 3.682) 6.820 7.739 ( -2.608 -2.231 -3.957) 5.237 7.792 ( -1.245 -2.166 0.915) 2.660 8.075 ( -6.203 6.114 3.155) 9.264 8.155 ( -8.217 -1.693 -2.257) 8.688 8.588 ( -5.301 3.079 9.242) 11.090 8.810 ( -10.278 -15.865 0.039) 18.904 11.551 ( 9.884 0.566 0.176) 9.902 11.584 ( 10.800 -2.507 -1.526) 11.191 11.945 ( 10.292 1.438 0.354) 10.398 11.963 ( 11.776 -0.400 -0.691) 11.803 12.189 ( -3.500 0.023 -0.504) 3.536 12.193 ( -3.415 -0.284 -0.662) 3.490 13.404 ( -9.075 2.383 2.868) 9.811 13.447 ( -7.986 -1.641 0.292) 8.158 14.127 ( 1.096 0.181 0.687) 1.306 14.148 ( 0.800 -1.669 -0.362) 1.886 14.426 ( -3.612 0.395 -0.090) 3.635 14.457 ( -3.879 -2.541 -1.498) 4.873 17.236 ( -0.070 1.128 1.215) 1.660 17.247 ( -0.199 0.388 1.158) 1.237 17.327 ( -1.507 -0.493 -3.014) 3.406 17.346 ( -1.498 -2.099 -3.335) 4.216 17.770 ( 5.046 0.648 0.377) 5.101 17.781 ( 5.445 -0.399 -0.054) 5.460 18.195 ( -1.783 0.495 0.919) 2.066 18.205 ( -1.352 -0.408 0.522) 1.505 19.000 ( -0.209 1.130 0.447) 1.233 19.006 ( -0.210 0.644 0.094) 0.684 19.102 ( -0.965 -0.433 0.597) 1.214 19.115 ( -0.911 -1.673 0.086) 1.907 29.245 ( 0.828 4.374 -0.213) 4.457 29.297 ( 0.876 0.470 -1.620) 1.901 29.528 ( -3.259 -0.119 -3.784) 4.995 29.559 ( -2.417 -2.280 -3.767) 5.023 30.240 ( 2.129 5.652 0.482) 6.059 30.295 ( 2.243 1.169 -2.158) 3.325 30.497 ( -1.728 5.665 -5.298) 7.946 30.576 ( -1.922 -1.000 -8.588) 8.857 33.226 ( 7.874 2.783 1.520) 8.489 33.246 ( 8.749 0.991 0.641) 8.828 34.621 ( -17.938 5.962 13.764) 23.383 34.727 ( -18.423 -3.422 12.096) 22.303 35.150 ( 10.174 8.315 6.510) 14.663 35.415 ( 8.590 -16.114 2.455) 18.425 35.654 ( 2.188 6.524 -4.766) 8.370 35.863 ( 1.746 -12.553 -9.226) 15.676 ======================= Grid point 170 (63/80) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 15.306 2.659 10.728) 18.880 2.660 ( 15.121 0.730 10.220) 18.265 3.005 ( 7.149 6.737 8.595) 13.052 3.071 ( 8.660 0.697 2.904) 9.160 3.135 ( -6.110 4.943 0.892) 7.909 3.261 ( -4.297 -1.252 5.489) 7.083 3.346 ( 5.559 0.622 2.439) 6.103 3.421 ( -0.695 -0.868 4.079) 4.227 3.547 ( 6.862 4.307 3.790) 8.944 3.588 ( 1.266 0.275 -0.318) 1.334 3.710 ( 2.438 6.028 -0.882) 6.562 3.853 ( 7.417 -3.551 -0.468) 8.236 3.914 ( 8.938 4.798 3.653) 10.782 3.987 ( 12.659 -1.032 -0.021) 12.701 4.331 ( 5.918 3.298 4.172) 7.956 4.397 ( -0.101 -2.901 4.217) 5.120 4.553 ( 2.498 2.537 2.870) 4.573 4.633 ( 5.524 -5.204 -0.566) 7.610 4.844 ( 9.974 2.966 -5.108) 11.592 4.869 ( 9.167 0.466 -6.044) 10.990 5.422 ( -8.184 5.815 4.617) 11.050 5.476 ( -6.538 -0.487 3.890) 7.623 5.617 ( -12.523 5.287 6.724) 15.165 5.670 ( -15.069 0.142 4.609) 15.759 5.813 ( -0.860 8.750 3.755) 9.560 5.906 ( 1.403 1.620 3.385) 4.006 5.999 ( -9.417 7.487 -2.876) 12.370 6.081 ( -6.724 1.334 -1.644) 7.049 6.417 ( 8.699 6.692 -4.478) 11.854 6.459 ( 5.229 1.424 -4.873) 7.288 6.668 ( 1.808 3.531 -4.551) 6.037 6.740 ( -1.108 -2.937 -6.294) 7.033 7.107 ( 0.662 4.180 -1.249) 4.413 7.181 ( 0.609 -1.926 -1.497) 2.514 7.264 ( -5.930 2.438 0.520) 6.433 7.331 ( -7.411 -1.504 -1.300) 7.673 7.607 ( 0.931 0.133 0.801) 1.235 7.640 ( 1.781 3.301 -1.277) 3.962 7.756 ( 3.090 -7.526 -1.199) 8.224 7.812 ( 3.345 -6.189 -1.788) 7.259 7.965 ( -2.003 4.992 4.179) 6.811 7.999 ( -4.826 1.571 1.817) 5.391 8.412 ( -11.694 -0.261 8.711) 14.585 8.530 ( -16.557 -10.123 3.927) 19.800 11.754 ( 9.357 1.331 -0.157) 9.453 11.783 ( 8.640 -1.258 -1.504) 8.860 12.080 ( -6.057 0.210 -0.189) 6.063 12.093 ( -6.050 -0.850 -0.663) 6.145 12.274 ( 21.177 2.861 0.459) 21.375 12.343 ( 22.796 -3.807 -3.301) 23.346 13.139 ( -16.981 2.862 2.141) 17.353 13.206 ( -15.855 -3.419 -1.556) 16.294 14.163 ( 2.502 0.360 0.272) 2.542 14.177 ( 2.187 -0.809 -0.487) 2.382 14.335 ( -4.841 -0.389 -0.330) 4.868 14.358 ( -5.402 -2.462 -1.395) 6.099 17.236 ( 0.051 1.241 0.464) 1.326 17.243 ( -0.135 0.950 0.372) 1.029 17.295 ( -1.341 -1.421 -2.384) 3.083 17.310 ( -1.784 -2.414 -2.730) 4.058 17.896 ( 6.967 1.379 1.000) 7.172 17.916 ( 7.247 -0.373 0.229) 7.261 18.140 ( -3.718 0.574 1.194) 3.947 18.158 ( -3.410 -1.019 0.489) 3.592 19.001 ( 0.328 1.621 0.422) 1.707 19.005 ( 0.210 1.298 0.184) 1.327 19.078 ( -1.200 -1.537 1.125) 2.251 19.089 ( -1.452 -2.474 0.643) 2.940 29.272 ( 1.817 5.194 -1.299) 5.654 29.319 ( 1.015 2.822 -2.818) 4.115 29.457 ( -3.113 -2.217 -2.539) 4.589 29.496 ( -3.458 -3.983 -3.444) 6.300 30.295 ( 3.141 6.743 0.246) 7.443 30.349 ( 2.575 3.637 -2.680) 5.200 30.457 ( -1.856 2.982 -2.264) 4.179 30.524 ( -3.027 -1.414 -5.663) 6.575 33.450 ( 13.956 5.160 3.927) 15.389 33.490 ( 14.951 1.787 2.169) 15.213 34.226 ( -20.214 3.448 11.876) 23.697 34.315 ( -21.407 -4.363 9.064) 23.652 35.354 ( 9.858 9.230 2.620) 13.756 35.564 ( 4.095 -1.244 -6.977) 8.185 35.693 ( 2.835 -6.587 2.776) 7.690 35.871 ( -1.540 -13.900 -6.193) 15.295 ======================= Grid point 171 (64/80) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -6.352 2.403 6.464) 9.376 2.917 ( 6.353 2.403 6.464) 9.376 2.929 ( -6.080 1.170 10.178) 11.913 2.929 ( 6.080 1.170 10.178) 11.913 3.247 ( -4.118 6.319 -1.330) 7.659 3.247 ( 4.118 6.319 -1.330) 7.659 3.370 ( -1.593 -3.369 -0.152) 3.730 3.370 ( 1.593 -3.369 -0.152) 3.730 3.665 ( -4.881 6.321 -2.216) 8.288 3.665 ( 4.881 6.321 -2.216) 8.288 3.759 ( -9.624 -1.902 -0.121) 9.811 3.759 ( 9.624 -1.902 -0.121) 9.811 4.167 ( -12.437 3.200 6.618) 14.447 4.167 ( 12.437 3.200 6.618) 14.447 4.236 ( -9.997 -1.884 3.671) 10.815 4.236 ( 9.997 -1.884 3.671) 10.815 4.904 ( -12.759 4.134 0.807) 13.436 4.904 ( 12.759 4.134 0.807) 13.436 4.967 ( -8.022 -2.137 0.791) 8.340 4.967 ( 8.022 -2.137 0.791) 8.340 5.321 ( -8.573 2.633 1.171) 9.044 5.321 ( 8.573 2.633 1.171) 9.044 5.366 ( -6.564 -1.493 0.155) 6.733 5.366 ( 6.564 -1.493 0.155) 6.733 5.846 ( -4.271 11.304 4.578) 12.922 5.846 ( 4.271 11.304 4.578) 12.922 5.962 ( -4.161 0.276 3.667) 5.553 5.962 ( 4.161 0.276 3.667) 5.553 6.574 ( -1.351 8.044 -6.237) 10.268 6.574 ( 1.351 8.044 -6.237) 10.268 6.669 ( -3.369 -1.757 -6.149) 7.228 6.669 ( 3.369 -1.757 -6.149) 7.228 7.134 ( -3.292 4.353 0.391) 5.472 7.134 ( 3.292 4.353 0.391) 5.472 7.234 ( -2.582 -4.902 -2.930) 6.267 7.234 ( 2.582 -4.902 -2.930) 6.267 7.644 ( -1.891 4.132 0.319) 4.555 7.644 ( 1.891 4.132 0.319) 4.555 7.801 ( -2.878 -7.678 -1.368) 8.313 7.801 ( 2.878 -7.678 -1.368) 8.313 8.043 ( -1.591 7.360 5.141) 9.118 8.043 ( 1.591 7.360 5.141) 9.118 8.238 ( -4.700 -9.522 6.209) 12.301 8.238 ( 4.700 -9.522 6.209) 12.301 11.914 ( -2.917 2.483 -0.639) 3.884 11.914 ( 2.917 2.483 -0.639) 3.884 11.967 ( -2.502 -2.553 -0.597) 3.624 11.967 ( 2.502 -2.553 -0.597) 3.624 12.719 ( -17.020 4.674 0.756) 17.667 12.719 ( 17.020 4.674 0.756) 17.667 12.830 ( -16.778 -5.868 -2.860) 18.004 12.830 ( 16.778 -5.868 -2.860) 18.004 14.217 ( -1.063 1.710 -0.297) 2.035 14.217 ( 1.063 1.710 -0.297) 2.035 14.269 ( -1.348 -3.293 -0.835) 3.655 14.269 ( 1.348 -3.293 -0.835) 3.655 17.240 ( -0.285 1.634 -0.038) 1.659 17.240 ( 0.285 1.634 -0.038) 1.659 17.285 ( -0.508 -2.605 -2.195) 3.444 17.285 ( 0.508 -2.605 -2.195) 3.444 18.018 ( -2.371 2.956 0.985) 3.916 18.018 ( 2.371 2.956 0.985) 3.916 18.076 ( -2.313 -2.594 0.762) 3.558 18.076 ( 2.313 -2.594 0.762) 3.558 19.009 ( -0.181 2.510 0.180) 2.523 19.009 ( 0.181 2.510 0.180) 2.523 19.067 ( -0.406 -3.254 1.290) 3.524 19.067 ( 0.406 -3.254 1.290) 3.524 29.313 ( -1.784 6.329 -2.906) 7.189 29.313 ( 1.784 6.329 -2.906) 7.189 29.438 ( -1.643 -5.567 -2.275) 6.234 29.438 ( 1.643 -5.567 -2.275) 6.234 30.354 ( -2.260 8.110 -1.352) 8.527 30.354 ( 2.260 8.110 -1.352) 8.527 30.463 ( -2.619 -2.024 -2.669) 4.253 30.463 ( 2.619 -2.024 -2.669) 4.253 33.729 ( -5.563 11.728 6.547) 14.538 33.729 ( 5.563 11.728 6.547) 14.538 33.945 ( -6.830 -8.701 6.409) 12.784 33.945 ( 6.830 -8.701 6.409) 12.784 35.524 ( -6.371 9.986 -1.156) 11.902 35.524 ( 6.371 9.986 -1.156) 11.902 35.797 ( -5.514 -16.004 -3.022) 17.195 35.797 ( 5.514 -16.004 -3.022) 17.195 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 0.000 -0.980) 0.980 1.144 ( 0.000 0.000 0.980) 0.980 2.431 ( 0.000 0.000 -1.995) 1.995 2.431 ( 0.000 0.000 1.995) 1.995 2.898 ( 0.000 0.000 -6.694) 6.694 2.898 ( 0.000 0.000 6.694) 6.694 2.935 ( 0.000 0.000 -24.563) 24.563 2.935 ( 0.000 0.000 24.563) 24.563 3.350 ( 0.000 0.000 -5.375) 5.375 3.350 ( 0.000 0.000 5.375) 5.375 3.668 ( 0.000 0.000 -20.279) 20.279 3.668 ( 0.000 0.000 20.279) 20.279 3.957 ( 0.000 0.000 -7.570) 7.570 3.957 ( 0.000 0.000 7.570) 7.570 4.012 ( 0.000 0.000 -0.867) 0.867 4.012 ( 0.000 0.000 0.867) 0.867 4.219 ( 0.000 0.000 -8.471) 8.471 4.219 ( 0.000 0.000 8.471) 8.471 4.811 ( 0.000 0.000 -2.348) 2.348 4.811 ( 0.000 0.000 2.348) 2.348 5.181 ( 0.000 0.000 -6.865) 6.865 5.181 ( 0.000 0.000 6.865) 6.865 5.586 ( 0.000 0.000 -1.928) 1.928 5.586 ( 0.000 0.000 1.928) 1.928 5.605 ( 0.000 0.000 -1.706) 1.706 5.605 ( 0.000 0.000 1.706) 1.706 6.096 ( 0.000 0.000 -5.601) 5.601 6.096 ( 0.000 0.000 5.601) 5.601 6.385 ( 0.000 0.000 -16.321) 16.321 6.385 ( 0.000 0.000 16.321) 16.321 6.666 ( 0.000 0.000 -3.014) 3.014 6.666 ( 0.000 0.000 3.014) 3.014 6.766 ( 0.000 0.000 -10.563) 10.563 6.766 ( 0.000 0.000 10.563) 10.563 7.627 ( 0.000 0.000 -3.841) 3.841 7.627 ( 0.000 0.000 3.841) 3.841 7.855 ( 0.000 0.000 -0.486) 0.486 7.855 ( 0.000 0.000 0.486) 0.486 7.990 ( 0.000 0.000 -0.266) 0.266 7.990 ( 0.000 0.000 0.266) 0.266 8.007 ( 0.000 0.000 -10.736) 10.736 8.007 ( 0.000 0.000 10.736) 10.736 8.904 ( 0.000 0.000 -18.998) 18.998 8.904 ( 0.000 0.000 18.998) 18.998 11.621 ( 0.000 0.000 -2.281) 2.281 11.621 ( 0.000 0.000 2.281) 2.281 11.679 ( 0.000 0.000 -0.346) 0.346 11.679 ( 0.000 0.000 0.346) 0.346 12.237 ( 0.000 0.000 -0.191) 0.191 12.237 ( 0.000 0.000 0.191) 0.191 13.454 ( 0.000 0.000 -1.707) 1.707 13.454 ( 0.000 0.000 1.707) 1.707 14.232 ( 0.000 0.000 -2.233) 2.233 14.232 ( 0.000 0.000 2.233) 2.233 14.574 ( 0.000 0.000 -3.698) 3.698 14.574 ( 0.000 0.000 3.698) 3.698 17.290 ( 0.000 0.000 -3.354) 3.354 17.290 ( 0.000 0.000 3.354) 3.354 17.367 ( 0.000 0.000 -5.000) 5.000 17.367 ( 0.000 0.000 5.000) 5.000 17.705 ( 0.000 0.000 -0.325) 0.325 17.705 ( 0.000 0.000 0.325) 0.325 18.213 ( 0.000 0.000 -0.430) 0.430 18.213 ( 0.000 0.000 0.430) 0.430 18.928 ( 0.000 0.000 -0.434) 0.434 18.928 ( 0.000 0.000 0.434) 0.434 19.225 ( 0.000 0.000 -2.865) 2.865 19.225 ( 0.000 0.000 2.865) 2.865 29.089 ( 0.000 0.000 -0.056) 0.056 29.089 ( 0.000 0.000 0.056) 0.056 29.626 ( 0.000 0.000 -1.914) 1.914 29.626 ( 0.000 0.000 1.914) 1.914 29.877 ( 0.000 0.000 -1.410) 1.410 29.877 ( 0.000 0.000 1.410) 1.410 30.210 ( 0.000 0.000 -2.874) 2.874 30.210 ( 0.000 0.000 2.874) 2.874 33.030 ( 0.000 0.000 -1.045) 1.045 33.030 ( 0.000 0.000 1.045) 1.045 34.744 ( 0.000 0.000 -3.048) 3.048 34.744 ( 0.000 0.000 3.048) 3.048 35.307 ( 0.000 0.000 -8.576) 8.576 35.307 ( 0.000 0.000 8.576) 8.576 36.379 ( 0.000 0.000 -0.301) 0.301 36.379 ( 0.000 0.000 0.301) 0.301 ======================= Grid point 198 (66/80) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.269 ( 10.522 0.000 -2.214) 10.753 1.269 ( 10.522 0.000 2.214) 10.753 2.514 ( 7.447 0.000 -3.358) 8.169 2.514 ( 7.447 0.000 3.358) 8.169 2.922 ( 2.143 0.000 -6.210) 6.570 2.922 ( 2.143 0.000 6.210) 6.570 3.145 ( 18.465 0.000 -21.779) 28.553 3.145 ( 18.465 0.000 21.779) 28.553 3.351 ( 0.856 0.000 -9.058) 9.098 3.351 ( 0.856 0.000 9.058) 9.098 3.602 ( -3.561 0.000 -13.881) 14.331 3.602 ( -3.561 0.000 13.881) 14.331 3.928 ( -2.404 0.000 -3.374) 4.143 3.928 ( -2.404 0.000 3.374) 4.143 4.209 ( -1.669 0.000 -6.185) 6.406 4.209 ( -1.669 0.000 6.185) 6.406 4.217 ( 16.377 0.000 -15.054) 22.245 4.217 ( 16.377 0.000 15.054) 22.245 4.865 ( 5.409 0.000 -9.402) 10.846 4.865 ( 5.409 0.000 9.402) 10.846 5.123 ( -5.362 0.000 -5.716) 7.837 5.123 ( -5.362 0.000 5.716) 7.837 5.573 ( -1.085 0.000 -1.982) 2.259 5.573 ( -1.085 0.000 1.982) 2.259 5.586 ( -1.930 0.000 -2.518) 3.173 5.586 ( -1.930 0.000 2.518) 3.173 6.012 ( -7.436 0.000 -5.762) 9.407 6.012 ( -7.436 0.000 5.762) 9.407 6.303 ( -5.471 0.000 -14.097) 15.121 6.303 ( -5.471 0.000 14.097) 15.121 6.689 ( 1.063 0.000 -12.076) 12.123 6.689 ( 1.063 0.000 12.076) 12.123 6.897 ( 10.194 0.000 -7.017) 12.376 6.897 ( 10.194 0.000 7.017) 12.376 7.558 ( -6.582 0.000 -9.297) 11.391 7.558 ( -6.582 0.000 9.297) 11.391 7.855 ( -0.012 0.000 -0.424) 0.424 7.855 ( -0.012 0.000 0.424) 0.424 7.889 ( -9.179 0.000 -6.745) 11.391 7.889 ( -9.179 0.000 6.745) 11.391 7.990 ( 0.018 0.000 -0.232) 0.233 7.990 ( 0.018 0.000 0.232) 0.233 8.799 ( -10.074 0.000 -14.366) 17.546 8.799 ( -10.074 0.000 14.366) 17.546 11.660 ( 3.730 0.000 -2.081) 4.272 11.660 ( 3.730 0.000 2.081) 4.272 11.868 ( 17.190 0.000 -3.576) 17.558 11.868 ( 17.190 0.000 3.576) 17.558 12.206 ( -2.966 0.000 -0.354) 2.987 12.206 ( -2.966 0.000 0.354) 2.987 13.379 ( -7.474 0.000 -3.411) 8.215 13.379 ( -7.474 0.000 3.411) 8.215 14.224 ( -0.587 0.000 -1.837) 1.928 14.224 ( -0.587 0.000 1.837) 1.928 14.543 ( -2.882 0.000 -3.432) 4.481 14.543 ( -2.882 0.000 3.432) 4.481 17.293 ( 0.263 0.000 -3.182) 3.192 17.293 ( 0.263 0.000 3.182) 3.192 17.363 ( -0.338 0.000 -4.623) 4.635 17.363 ( -0.338 0.000 4.623) 4.635 17.754 ( 4.364 0.000 -0.912) 4.459 17.754 ( 4.364 0.000 0.912) 4.459 18.197 ( -1.477 0.000 -1.064) 1.821 18.197 ( -1.477 0.000 1.064) 1.821 18.921 ( -0.655 0.000 -0.214) 0.689 18.921 ( -0.655 0.000 0.214) 0.689 19.244 ( 1.850 0.000 -2.482) 3.096 19.244 ( 1.850 0.000 2.482) 3.096 29.090 ( 0.027 0.000 -0.058) 0.064 29.090 ( 0.027 0.000 0.058) 0.064 29.627 ( 0.081 0.000 -1.734) 1.736 29.627 ( 0.081 0.000 1.734) 1.736 29.870 ( -0.577 0.000 -1.291) 1.414 29.870 ( -0.577 0.000 1.291) 1.414 30.208 ( -0.235 0.000 -2.486) 2.497 30.208 ( -0.235 0.000 2.486) 2.497 33.085 ( 5.220 0.000 -1.624) 5.467 33.085 ( 5.220 0.000 1.624) 5.467 34.616 ( -11.712 0.000 -7.461) 13.887 34.616 ( -11.712 0.000 7.461) 13.887 35.317 ( 1.178 0.000 -8.976) 9.053 35.317 ( 1.178 0.000 8.976) 9.053 36.427 ( 3.995 0.000 -1.764) 4.367 36.427 ( 3.995 0.000 1.764) 4.367 ======================= Grid point 200 (67/80) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 8.510 0.000 -2.075) 8.759 1.478 ( 8.510 0.000 2.075) 8.759 2.673 ( 6.956 0.000 -3.670) 7.865 2.673 ( 6.956 0.000 3.670) 7.865 2.953 ( -0.162 0.000 -2.664) 2.669 2.953 ( -0.162 0.000 2.664) 2.669 3.442 ( 9.107 0.000 -11.406) 14.595 3.442 ( 9.107 0.000 11.406) 14.595 3.505 ( 9.545 0.000 -17.870) 20.259 3.505 ( 9.545 0.000 17.870) 20.259 3.590 ( 5.952 0.000 -16.140) 17.202 3.590 ( 5.952 0.000 16.140) 17.202 3.884 ( -1.344 0.000 -4.611) 4.803 3.884 ( -1.344 0.000 4.611) 4.803 4.116 ( -8.138 0.000 -5.925) 10.066 4.116 ( -8.138 0.000 5.925) 10.066 4.566 ( 17.381 0.000 -8.083) 19.168 4.566 ( 17.381 0.000 8.083) 19.168 5.000 ( -5.556 0.000 -3.241) 6.432 5.000 ( -5.556 0.000 3.241) 6.432 5.028 ( 8.796 0.000 -13.575) 16.175 5.028 ( 8.796 0.000 13.575) 16.175 5.502 ( -5.617 0.000 -6.355) 8.482 5.502 ( -5.617 0.000 6.355) 8.482 5.553 ( -0.754 0.000 -1.493) 1.672 5.553 ( -0.754 0.000 1.493) 1.672 5.849 ( -8.887 0.000 -7.126) 11.391 5.849 ( -8.887 0.000 7.126) 11.391 6.226 ( -0.811 0.000 -9.047) 9.083 6.226 ( -0.811 0.000 9.047) 9.083 6.703 ( -0.158 0.000 -7.113) 7.115 6.703 ( -0.158 0.000 7.113) 7.115 7.009 ( -2.159 0.000 -5.147) 5.581 7.009 ( -2.159 0.000 5.147) 5.581 7.455 ( -0.493 0.000 -11.872) 11.882 7.455 ( -0.493 0.000 11.872) 11.882 7.761 ( -1.256 0.000 -2.090) 2.438 7.761 ( -1.256 0.000 2.090) 2.438 7.855 ( -0.012 0.000 -0.248) 0.249 7.855 ( -0.012 0.000 0.248) 0.249 7.990 ( 0.018 0.000 -0.136) 0.137 7.990 ( 0.018 0.000 0.136) 0.137 8.530 ( -15.211 0.000 -6.784) 16.655 8.530 ( -15.211 0.000 6.784) 16.655 11.756 ( 5.245 0.000 -1.483) 5.451 11.756 ( 5.245 0.000 1.483) 5.451 12.127 ( -4.493 0.000 -0.538) 4.526 12.127 ( -4.493 0.000 0.538) 4.526 12.286 ( 22.307 0.000 -8.048) 23.715 12.286 ( 22.307 0.000 8.048) 23.715 13.159 ( -14.024 0.000 -6.070) 15.281 13.159 ( -14.024 0.000 6.070) 15.281 14.215 ( -0.218 0.000 -0.947) 0.971 14.215 ( -0.218 0.000 0.947) 0.971 14.477 ( -3.079 0.000 -2.253) 3.816 14.477 ( -3.079 0.000 2.253) 3.816 17.299 ( 0.344 0.000 -2.371) 2.396 17.299 ( 0.344 0.000 2.371) 2.396 17.355 ( -0.419 0.000 -3.223) 3.251 17.355 ( -0.419 0.000 3.223) 3.251 17.851 ( 4.512 0.000 -1.564) 4.775 17.851 ( 4.512 0.000 1.564) 4.775 18.160 ( -1.929 0.000 -1.533) 2.464 18.160 ( -1.929 0.000 1.533) 2.464 18.904 ( -0.825 0.000 -0.072) 0.828 18.904 ( -0.825 0.000 0.072) 0.828 19.289 ( 2.108 0.000 -1.396) 2.528 19.289 ( 2.108 0.000 1.396) 2.528 29.090 ( 0.028 0.000 -0.043) 0.051 29.090 ( 0.028 0.000 0.043) 0.051 29.630 ( 0.190 0.000 -1.093) 1.110 29.630 ( 0.190 0.000 1.093) 1.110 29.857 ( -0.630 0.000 -0.837) 1.048 29.857 ( -0.630 0.000 0.837) 1.048 30.202 ( -0.235 0.000 -1.431) 1.450 30.202 ( -0.235 0.000 1.431) 1.450 33.218 ( 6.998 0.000 -2.131) 7.315 33.218 ( 6.998 0.000 2.131) 7.315 34.346 ( -12.901 0.000 -6.722) 14.547 34.346 ( -12.901 0.000 6.722) 14.547 35.350 ( 1.694 0.000 -5.597) 5.847 35.350 ( 1.694 0.000 5.597) 5.847 36.503 ( 2.912 0.000 -1.558) 3.303 36.503 ( 2.912 0.000 1.558) 3.303 ======================= Grid point 202 (68/80) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 -0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 -0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 -0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.935 ( -0.000 0.000 -0.000) 0.000 3.935 ( -0.000 0.000 0.000) 0.000 4.852 ( -0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.020 ( -0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.548 ( -0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.650 ( -0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 6.249 ( -0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.319 ( -0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.624 ( -0.000 0.000 0.000) 0.000 12.910 ( -0.000 0.000 0.000) 0.000 12.910 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.442 ( 0.000 0.000 0.000) 0.000 14.442 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 -0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 18.136 ( 0.000 0.000 0.000) 0.000 18.136 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 29.091 ( 0.000 0.000 -0.000) 0.000 29.091 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 30.200 ( 0.000 0.000 0.000) 0.000 30.200 ( 0.000 0.000 0.000) 0.000 33.305 ( 0.000 0.000 0.000) 0.000 33.305 ( 0.000 0.000 0.000) 0.000 34.195 ( 0.000 0.000 0.000) 0.000 34.195 ( 0.000 0.000 0.000) 0.000 35.369 ( 0.000 0.000 0.000) 0.000 35.369 ( 0.000 0.000 0.000) 0.000 36.533 ( 0.000 0.000 0.000) 0.000 36.533 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 210 (69/80) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 30.479 -1.719) 30.527 1.598 ( 0.000 30.479 1.719) 30.527 2.601 ( 0.000 16.687 -2.055) 16.813 2.601 ( 0.000 16.687 2.055) 16.813 2.893 ( 0.000 0.032 -20.617) 20.617 2.893 ( 0.000 0.032 20.617) 20.617 3.063 ( 0.000 8.709 -1.960) 8.927 3.063 ( 0.000 8.709 1.960) 8.927 3.416 ( 0.000 6.938 -8.805) 11.210 3.416 ( 0.000 6.938 8.805) 11.210 3.675 ( 0.000 0.511 -19.086) 19.092 3.675 ( 0.000 0.511 19.086) 19.092 3.834 ( 0.000 -6.774 -3.108) 7.453 3.834 ( 0.000 -6.774 3.108) 7.453 4.039 ( 0.000 -2.620 -8.877) 9.255 4.039 ( 0.000 -2.620 8.877) 9.255 4.374 ( 0.000 15.701 -3.741) 16.141 4.374 ( 0.000 15.701 3.741) 16.141 4.783 ( 0.000 -3.205 -3.957) 5.092 4.783 ( 0.000 -3.205 3.957) 5.092 5.207 ( 0.000 2.137 -5.637) 6.029 5.207 ( 0.000 2.137 5.637) 6.029 5.610 ( 0.000 3.999 -6.007) 7.216 5.610 ( 0.000 3.999 6.007) 7.216 5.663 ( 0.000 4.669 -7.142) 8.533 5.663 ( 0.000 4.669 7.142) 8.533 6.108 ( 0.000 1.126 -4.684) 4.817 6.108 ( 0.000 1.126 4.684) 4.817 6.413 ( 0.000 2.525 -17.284) 17.468 6.413 ( 0.000 2.525 17.284) 17.468 6.664 ( 0.000 -0.366 -1.749) 1.787 6.664 ( 0.000 -0.366 1.749) 1.787 6.772 ( 0.000 0.924 -6.451) 6.517 6.772 ( 0.000 0.924 6.451) 6.517 7.558 ( 0.000 -7.532 -7.047) 10.315 7.558 ( 0.000 -7.532 7.047) 10.315 7.756 ( 0.000 -3.231 -2.689) 4.204 7.756 ( 0.000 -3.231 2.689) 4.204 7.917 ( 0.000 -3.051 -0.636) 3.117 7.917 ( 0.000 -3.051 0.636) 3.117 8.128 ( 0.000 3.848 -8.060) 8.931 8.128 ( 0.000 3.848 8.060) 8.931 8.956 ( 0.000 3.185 -19.788) 20.043 8.956 ( 0.000 3.185 19.788) 20.043 11.556 ( 0.000 -3.894 -1.347) 4.121 11.556 ( 0.000 -3.894 1.347) 4.121 11.743 ( 0.000 3.774 -0.415) 3.797 11.743 ( 0.000 3.774 0.415) 3.797 12.233 ( 0.000 -0.303 -0.168) 0.346 12.233 ( 0.000 -0.303 0.168) 0.346 13.469 ( 0.000 1.331 -1.702) 2.160 13.469 ( 0.000 1.331 1.702) 2.160 14.213 ( 0.000 -1.666 -2.010) 2.611 14.213 ( 0.000 -1.666 2.010) 2.611 14.554 ( 0.000 -1.802 -3.410) 3.857 14.554 ( 0.000 -1.802 3.410) 3.857 17.289 ( 0.000 -0.178 -3.754) 3.758 17.289 ( 0.000 -0.178 3.754) 3.758 17.348 ( 0.000 -1.548 -5.145) 5.373 17.348 ( 0.000 -1.548 5.145) 5.373 17.709 ( 0.000 0.321 -0.443) 0.548 17.709 ( 0.000 0.321 0.443) 0.548 18.215 ( 0.000 0.152 -0.376) 0.406 18.215 ( 0.000 0.153 0.376) 0.406 18.942 ( 0.000 1.320 -0.216) 1.337 18.942 ( 0.000 1.320 0.216) 1.337 19.202 ( 0.000 -1.995 -2.265) 3.018 19.202 ( 0.000 -1.995 2.265) 3.018 29.106 ( 0.000 1.883 -0.907) 2.090 29.106 ( 0.000 1.883 0.907) 2.090 29.613 ( 0.000 -1.356 -1.232) 1.832 29.613 ( 0.000 -1.356 1.232) 1.832 29.951 ( 0.000 6.713 -1.541) 6.887 29.951 ( 0.000 6.713 1.541) 6.887 30.286 ( 0.000 6.268 -3.568) 7.213 30.286 ( 0.000 6.268 3.568) 7.213 33.047 ( 0.000 1.688 -0.556) 1.777 33.047 ( 0.000 1.688 0.556) 1.777 34.772 ( 0.000 2.816 -2.942) 4.072 34.772 ( 0.000 2.816 2.942) 4.072 35.298 ( 0.000 -0.778 -9.257) 9.289 35.298 ( 0.000 -0.778 9.257) 9.289 36.250 ( 0.000 -11.829 -2.333) 12.057 36.250 ( 0.000 -11.829 2.333) 12.057 ======================= Grid point 212 (70/80) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 1.726 ( 11.014 31.743 -0.274) 33.600 1.726 ( 11.014 31.743 0.274) 33.600 2.651 ( 4.512 13.342 -3.511) 14.515 2.651 ( 4.512 13.342 3.511) 14.515 3.041 ( 8.995 6.809 -7.354) 13.467 3.041 ( 8.995 6.809 7.354) 13.467 3.148 ( 10.894 2.277 -7.179) 13.244 3.148 ( 10.894 2.277 7.179) 13.244 3.416 ( 0.531 6.579 -10.251) 12.192 3.416 ( 0.531 6.579 10.251) 12.192 3.598 ( -3.549 -0.401 -9.349) 10.008 3.598 ( -3.549 -0.401 9.349) 10.008 3.877 ( 0.478 -5.048 -4.227) 6.601 3.877 ( 0.478 -5.048 4.227) 6.601 4.135 ( 8.450 -0.796 -1.823) 8.681 4.135 ( 8.450 -0.796 1.823) 8.681 4.418 ( 4.319 12.864 -6.198) 14.919 4.418 ( 4.319 12.864 6.198) 14.919 4.821 ( 4.078 -4.180 -7.526) 9.526 4.821 ( 4.078 -4.180 7.526) 9.526 5.166 ( -3.561 4.122 -4.652) 7.164 5.166 ( -3.561 4.122 4.652) 7.164 5.607 ( -0.707 3.922 -3.784) 5.496 5.607 ( -0.707 3.922 3.784) 5.496 5.642 ( -1.733 5.276 -5.829) 8.051 5.642 ( -1.733 5.276 5.829) 8.051 6.019 ( -8.064 0.660 -5.337) 9.693 6.019 ( -8.064 0.660 5.337) 9.693 6.325 ( -5.706 2.068 -13.932) 15.196 6.325 ( -5.706 2.068 13.932) 15.196 6.683 ( 0.822 -0.848 -11.807) 11.865 6.683 ( 0.822 -0.848 11.807) 11.865 6.903 ( 9.942 0.978 -6.571) 11.957 6.903 ( 9.942 0.978 6.571) 11.957 7.491 ( -6.171 -6.326 -9.710) 13.130 7.491 ( -6.171 -6.326 9.710) 13.130 7.740 ( -1.309 -3.752 -2.121) 4.504 7.740 ( -1.309 -3.752 2.121) 4.504 7.903 ( -1.747 -1.638 -0.455) 2.438 7.903 ( -1.747 -1.638 0.455) 2.438 8.048 ( -5.498 2.718 -5.504) 8.241 8.048 ( -5.498 2.718 5.504) 8.241 8.852 ( -9.861 3.443 -15.132) 18.387 8.852 ( -9.861 3.443 15.132) 18.387 11.637 ( 5.904 -1.959 -2.340) 6.646 11.637 ( 5.904 -1.959 2.340) 6.646 11.889 ( 14.973 1.710 -2.791) 15.327 11.889 ( 14.973 1.710 2.791) 15.327 12.202 ( -3.020 -0.375 -0.326) 3.061 12.202 ( -3.020 -0.375 0.326) 3.061 13.391 ( -7.716 1.098 -3.237) 8.440 13.391 ( -7.716 1.098 3.237) 8.440 14.209 ( -0.336 -1.418 -1.654) 2.204 14.209 ( -0.336 -1.418 1.654) 2.204 14.521 ( -3.067 -1.974 -3.161) 4.827 14.521 ( -3.067 -1.974 3.161) 4.827 17.290 ( 0.083 -0.360 -3.510) 3.529 17.290 ( 0.083 -0.360 3.510) 3.529 17.343 ( -0.458 -1.671 -4.771) 5.075 17.343 ( -0.458 -1.671 4.771) 5.075 17.760 ( 4.547 0.478 -0.912) 4.662 17.760 ( 4.547 0.478 0.912) 4.662 18.199 ( -1.461 0.185 -0.980) 1.769 18.199 ( -1.461 0.185 0.980) 1.769 18.935 ( -0.628 1.337 -0.052) 1.478 18.935 ( -0.628 1.337 0.052) 1.478 19.216 ( 1.346 -2.473 -1.995) 3.451 19.216 ( 1.346 -2.473 1.995) 3.451 29.105 ( -0.111 1.773 -0.798) 1.948 29.105 ( -0.111 1.773 0.798) 1.948 29.609 ( -0.329 -1.733 -1.148) 2.105 29.609 ( -0.329 -1.733 1.148) 2.105 29.950 ( -0.089 7.165 -1.360) 7.293 29.950 ( -0.089 7.165 1.360) 7.293 30.284 ( -0.162 6.316 -3.098) 7.037 30.284 ( -0.162 6.316 3.098) 7.037 33.108 ( 5.861 2.289 -1.426) 6.452 33.108 ( 5.861 2.289 1.426) 6.452 34.638 ( -12.340 2.219 -7.482) 14.600 34.638 ( -12.340 2.219 7.482) 14.600 35.309 ( 1.352 -0.672 -9.692) 9.809 35.309 ( 1.352 -0.672 9.692) 9.809 36.302 ( 4.244 -11.504 -2.415) 12.498 36.302 ( 4.244 -11.504 2.415) 12.498 ======================= Grid point 214 (71/80) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 9.333 34.937 -1.144) 36.180 1.951 ( 9.333 34.937 1.144) 36.180 2.754 ( 5.010 7.670 -2.774) 9.572 2.754 ( 5.010 7.670 2.774) 9.572 3.137 ( 0.797 14.119 -2.370) 14.338 3.137 ( 0.797 14.119 2.370) 14.338 3.377 ( 6.946 -3.730 -1.444) 8.015 3.377 ( 6.946 -3.730 1.444) 8.015 3.473 ( 3.326 -2.400 -13.320) 13.937 3.473 ( 3.326 -2.400 13.320) 13.937 3.593 ( 5.225 -0.022 -5.077) 7.285 3.593 ( 5.225 -0.022 5.077) 7.285 3.934 ( 5.910 3.385 -5.688) 8.873 3.934 ( 5.910 3.385 5.688) 8.873 4.202 ( -4.113 7.746 -2.703) 9.177 4.202 ( -4.113 7.746 2.703) 9.177 4.557 ( 10.380 -0.328 -4.490) 11.314 4.557 ( 10.380 -0.328 4.490) 11.314 4.981 ( 10.171 -4.633 -9.908) 14.935 4.981 ( 10.171 -4.633 9.908) 14.935 5.105 ( -0.910 9.783 -4.687) 10.886 5.105 ( -0.910 9.783 4.687) 10.886 5.512 ( -9.269 2.350 -5.442) 11.002 5.512 ( -9.269 2.350 5.442) 11.002 5.607 ( -1.969 4.225 -1.496) 4.896 5.607 ( -1.969 4.225 1.496) 4.896 5.857 ( -7.136 1.021 -7.230) 10.210 5.857 ( -7.136 1.021 7.230) 10.210 6.248 ( -0.705 2.120 -8.380) 8.673 6.248 ( -0.705 2.120 8.380) 8.673 6.691 ( -0.444 -1.386 -6.487) 6.648 6.691 ( -0.444 -1.386 6.487) 6.648 7.013 ( -1.739 1.064 -5.184) 5.571 7.013 ( -1.739 1.064 5.184) 5.571 7.399 ( -0.291 -4.868 -9.772) 10.921 7.399 ( -0.291 -4.868 9.772) 10.921 7.726 ( 1.036 -2.608 -1.436) 3.153 7.726 ( 1.036 -2.608 1.436) 3.153 7.845 ( -3.028 -0.206 -0.332) 3.053 7.845 ( -3.028 -0.206 0.332) 3.053 7.998 ( 0.655 -0.110 -1.360) 1.513 7.998 ( 0.655 -0.110 1.360) 1.513 8.591 ( -14.666 4.147 -7.414) 16.949 8.591 ( -14.666 4.147 7.414) 16.949 11.757 ( 5.876 0.088 -1.629) 6.099 11.757 ( 5.876 0.088 1.629) 6.099 12.117 ( -4.509 -0.884 -0.533) 4.626 12.117 ( -4.509 -0.884 0.533) 4.626 12.290 ( 22.034 0.301 -7.138) 23.163 12.290 ( 22.034 0.301 7.138) 23.163 13.163 ( -14.562 0.382 -5.685) 15.637 13.163 ( -14.562 0.382 5.685) 15.637 14.206 ( 0.111 -0.831 -0.851) 1.195 14.206 ( 0.111 -0.831 0.851) 1.195 14.450 ( -3.362 -2.439 -2.086) 4.648 14.450 ( -3.362 -2.439 2.086) 4.648 17.292 ( 0.194 -0.687 -2.712) 2.805 17.292 ( 0.194 -0.687 2.712) 2.805 17.331 ( -0.585 -1.974 -3.490) 4.051 17.331 ( -0.585 -1.974 3.490) 4.051 17.863 ( 4.925 1.065 -1.516) 5.262 17.863 ( 4.925 1.065 1.516) 5.262 18.161 ( -2.091 0.053 -1.464) 2.553 18.161 ( -2.091 0.053 1.464) 2.553 18.920 ( -0.767 1.435 -0.114) 1.631 18.920 ( -0.767 1.435 0.114) 1.631 19.249 ( 1.587 -3.482 -1.150) 3.995 19.249 ( 1.587 -3.482 1.150) 3.995 29.103 ( -0.112 1.552 -0.474) 1.627 29.103 ( -0.112 1.552 0.474) 1.627 29.602 ( -0.288 -2.509 -0.745) 2.633 29.602 ( -0.288 -2.509 0.745) 2.633 29.949 ( -0.071 8.099 -0.817) 8.140 29.949 ( -0.071 8.099 0.817) 8.140 30.280 ( -0.160 6.413 -1.799) 6.663 30.280 ( -0.160 6.413 1.799) 6.663 33.260 ( 8.171 4.083 -2.168) 9.388 33.260 ( 8.171 4.083 2.168) 9.388 34.349 ( -14.093 0.330 -6.652) 15.588 34.349 ( -14.093 0.330 6.652) 15.588 35.348 ( 2.008 -0.034 -5.958) 6.288 35.348 ( 2.008 -0.034 5.958) 6.288 36.381 ( 3.010 -11.239 -1.675) 11.755 36.381 ( 3.010 -11.239 1.675) 11.755 ======================= Grid point 216 (72/80) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.000 36.631 0.000) 36.631 2.051 ( 0.000 36.631 0.000) 36.631 2.816 ( 0.000 5.862 0.000) 5.862 2.816 ( 0.000 5.862 0.000) 5.862 3.123 ( 0.000 14.310 -0.000) 14.310 3.123 ( 0.000 14.310 -0.000) 14.310 3.454 ( 0.000 -5.339 -0.000) 5.339 3.454 ( 0.000 -5.339 0.000) 5.339 3.469 ( -0.000 -8.172 -0.000) 8.172 3.469 ( -0.000 -8.172 0.000) 8.172 3.744 ( 0.000 0.376 0.000) 0.376 3.744 ( 0.000 0.376 0.000) 0.376 4.042 ( -0.000 8.629 -0.001) 8.629 4.042 ( 0.000 8.629 0.000) 8.629 4.043 ( 0.000 9.017 -0.000) 9.017 4.043 ( -0.000 9.017 0.001) 9.017 4.773 ( -0.000 -2.015 0.000) 2.015 4.773 ( 0.000 -2.015 0.000) 2.015 5.016 ( -0.000 -0.428 0.000) 0.428 5.016 ( 0.000 -0.428 0.000) 0.428 5.123 ( 0.000 12.140 -0.000) 12.140 5.123 ( 0.000 12.140 0.000) 12.140 5.446 ( -0.000 -6.163 0.000) 6.163 5.446 ( 0.000 -6.163 0.000) 6.163 5.552 ( -0.000 0.866 0.000) 0.866 5.552 ( 0.000 0.866 0.000) 0.866 5.748 ( -0.000 6.715 0.000) 6.715 5.748 ( 0.000 6.715 0.000) 6.715 6.272 ( -0.000 2.303 0.000) 2.303 6.272 ( 0.000 2.303 0.000) 2.303 6.670 ( 0.000 -1.584 -0.000) 1.584 6.670 ( 0.000 -1.584 0.000) 1.584 6.959 ( 0.000 1.794 0.000) 1.794 6.959 ( 0.000 1.794 0.000) 1.794 7.412 ( 0.000 -4.808 0.000) 4.808 7.412 ( 0.000 -4.808 0.000) 4.808 7.782 ( -0.000 -5.560 0.000) 5.560 7.782 ( 0.000 -5.560 0.000) 5.560 7.794 ( 0.000 0.371 0.000) 0.371 7.794 ( 0.000 0.371 -0.000) 0.371 8.034 ( 0.000 2.100 0.000) 2.100 8.034 ( 0.000 2.100 0.000) 2.100 8.388 ( 0.000 4.518 0.000) 4.518 8.388 ( 0.000 4.518 0.000) 4.518 11.835 ( 0.000 0.895 0.000) 0.895 11.835 ( 0.000 0.895 0.000) 0.895 12.051 ( 0.000 -1.338 0.000) 1.338 12.051 ( 0.000 -1.338 0.000) 1.338 12.638 ( 0.000 1.288 0.000) 1.288 12.638 ( -0.000 1.288 0.000) 1.288 12.898 ( -0.000 -1.147 -0.000) 1.147 12.898 ( 0.000 -1.147 0.000) 1.147 14.209 ( 0.000 -0.418 0.000) 0.418 14.209 ( 0.000 -0.418 0.000) 0.418 14.411 ( 0.000 -2.806 0.000) 2.806 14.411 ( 0.000 -2.806 0.000) 2.806 17.295 ( 0.000 -0.783 0.000) 0.783 17.295 ( 0.000 -0.783 0.000) 0.783 17.324 ( 0.000 -2.199 -0.000) 2.199 17.324 ( 0.000 -2.199 0.000) 2.199 17.921 ( 0.000 1.672 0.000) 1.672 17.921 ( 0.000 1.672 0.000) 1.672 18.134 ( 0.000 -0.295 0.000) 0.295 18.134 ( 0.000 -0.295 0.000) 0.295 18.911 ( 0.000 1.508 0.000) 1.508 18.911 ( 0.000 1.508 0.000) 1.508 19.267 ( 0.000 -4.002 0.000) 4.002 19.267 ( 0.000 -4.002 0.000) 4.002 29.101 ( 0.000 1.441 -0.000) 1.441 29.101 ( 0.000 1.441 0.000) 1.441 29.599 ( 0.000 -2.909 -0.000) 2.909 29.599 ( 0.000 -2.909 0.000) 2.909 29.948 ( 0.000 8.580 0.000) 8.580 29.948 ( 0.000 8.580 0.000) 8.580 30.279 ( 0.000 6.463 -0.000) 6.463 30.279 ( 0.000 6.463 0.000) 6.463 33.364 ( 0.000 5.827 0.000) 5.827 33.364 ( 0.000 5.827 0.000) 5.827 34.180 ( 0.000 -1.457 0.000) 1.457 34.180 ( 0.000 -1.457 0.000) 1.457 35.371 ( 0.000 0.349 0.000) 0.349 35.371 ( 0.000 0.349 0.000) 0.349 36.412 ( 0.000 -11.203 0.000) 11.203 36.412 ( 0.000 -11.203 0.000) 11.203 ======================= Grid point 224 (73/80) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 14.511 -4.173) 15.099 2.067 ( 0.000 14.511 4.173) 15.099 2.895 ( 0.000 0.410 -14.939) 14.945 2.895 ( 0.000 0.410 14.939) 14.945 3.055 ( 0.000 22.051 -3.452) 22.319 3.055 ( 0.000 22.051 3.452) 22.319 3.216 ( 0.000 7.137 -5.461) 8.986 3.216 ( 0.000 7.137 5.461) 8.986 3.567 ( 0.000 3.940 -1.142) 4.102 3.567 ( 0.000 3.940 1.142) 4.102 3.692 ( 0.000 -4.546 -1.528) 4.796 3.692 ( 0.000 -4.546 1.528) 4.796 3.709 ( 0.000 1.258 -11.820) 11.887 3.709 ( 0.000 1.258 11.820) 11.887 3.966 ( 0.000 -2.549 -13.017) 13.264 3.966 ( 0.000 -2.549 13.017) 13.264 4.629 ( 0.000 -5.436 -8.523) 10.109 4.629 ( 0.000 -5.436 8.523) 10.109 4.791 ( 0.000 13.207 -1.475) 13.290 4.791 ( 0.000 13.207 1.475) 13.290 5.319 ( 0.000 11.901 -3.099) 12.298 5.319 ( 0.000 11.901 3.099) 12.298 5.672 ( 0.000 1.770 -0.147) 1.776 5.672 ( 0.000 1.770 0.147) 1.776 5.849 ( 0.000 11.017 -1.359) 11.100 5.849 ( 0.000 11.017 1.359) 11.100 6.140 ( 0.000 2.033 -2.179) 2.980 6.140 ( 0.000 2.033 2.179) 2.980 6.473 ( 0.000 2.796 -17.844) 18.061 6.473 ( 0.000 2.796 17.844) 18.061 6.642 ( 0.000 -1.923 -9.902) 10.087 6.642 ( 0.000 -1.923 9.902) 10.087 6.812 ( 0.000 2.451 -0.333) 2.474 6.812 ( 0.000 2.451 0.333) 2.474 7.436 ( 0.000 -0.961 -2.051) 2.265 7.436 ( 0.000 -0.961 2.051) 2.265 7.728 ( 0.000 -2.110 -3.752) 4.305 7.728 ( 0.000 -2.110 3.752) 4.305 7.837 ( 0.000 -3.785 -0.388) 3.805 7.837 ( 0.000 -3.785 0.388) 3.805 8.167 ( 0.000 0.819 -6.362) 6.415 8.167 ( 0.000 0.819 6.362) 6.415 8.954 ( 0.000 -4.380 -17.159) 17.709 8.954 ( 0.000 -4.380 17.159) 17.709 11.484 ( 0.000 -2.851 -0.884) 2.985 11.484 ( 0.000 -2.851 0.884) 2.985 11.812 ( 0.000 2.762 -0.366) 2.786 11.812 ( 0.000 2.762 0.366) 2.786 12.226 ( 0.000 -0.320 -0.098) 0.334 12.226 ( 0.000 -0.320 0.098) 0.334 13.503 ( 0.000 1.821 -1.478) 2.345 13.503 ( 0.000 1.821 1.478) 2.345 14.170 ( 0.000 -2.228 -1.501) 2.686 14.170 ( 0.000 -2.228 1.501) 2.686 14.509 ( 0.000 -2.283 -2.479) 3.370 14.509 ( 0.000 -2.283 2.479) 3.370 17.282 ( 0.000 -0.363 -3.767) 3.784 17.282 ( 0.000 -0.363 3.767) 3.784 17.317 ( 0.000 -1.268 -4.519) 4.694 17.317 ( 0.000 -1.268 4.519) 4.694 17.716 ( 0.000 0.258 -0.494) 0.557 17.716 ( 0.000 0.258 0.494) 0.557 18.218 ( 0.000 0.197 -0.231) 0.304 18.218 ( 0.000 0.197 0.231) 0.304 18.977 ( 0.000 1.865 -0.114) 1.869 18.977 ( 0.000 1.865 0.114) 1.869 19.155 ( 0.000 -2.271 -1.154) 2.547 19.155 ( 0.000 -2.271 1.154) 2.547 29.173 ( 0.000 4.357 -2.218) 4.889 29.173 ( 0.000 4.357 2.218) 4.889 29.574 ( 0.000 -2.260 -1.185) 2.552 29.574 ( 0.000 -2.260 1.185) 2.552 30.113 ( 0.000 7.777 -2.190) 8.080 30.113 ( 0.000 7.777 2.190) 8.080 30.414 ( 0.000 5.110 -4.134) 6.573 30.414 ( 0.000 5.110 4.134) 6.573 33.099 ( 0.000 3.149 -0.263) 3.160 33.099 ( 0.000 3.149 0.263) 3.160 34.867 ( 0.000 6.438 -1.952) 6.727 34.867 ( 0.000 6.438 1.952) 6.727 35.278 ( 0.000 -1.119 -11.636) 11.689 35.278 ( 0.000 -1.119 11.636) 11.689 35.938 ( 0.000 -16.923 -7.938) 18.692 35.938 ( 0.000 -16.923 7.938) 18.692 ======================= Grid point 226 (74/80) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 2.223 ( 13.958 15.216 -2.154) 20.760 2.223 ( 13.958 15.216 2.154) 20.760 2.989 ( 1.268 10.928 -3.639) 11.588 2.989 ( 1.268 10.928 3.639) 11.588 3.110 ( 10.378 6.956 -9.252) 15.546 3.110 ( 10.378 6.956 9.252) 15.546 3.280 ( 5.586 8.128 -8.114) 12.771 3.280 ( 5.586 8.128 8.114) 12.771 3.552 ( -5.228 0.458 -6.164) 8.095 3.552 ( -5.228 0.458 6.164) 8.095 3.616 ( 2.682 6.153 -3.088) 7.389 3.616 ( 2.682 6.153 3.088) 7.389 3.750 ( 2.603 -6.178 -5.645) 8.764 3.750 ( 2.603 -6.178 5.645) 8.764 4.157 ( 13.561 2.559 -5.482) 14.849 4.157 ( 13.561 2.559 5.482) 14.849 4.606 ( 1.266 -3.685 -4.358) 5.846 4.606 ( 1.266 -3.685 4.358) 5.846 4.772 ( -3.843 5.434 -3.142) 7.360 4.772 ( -3.843 5.434 3.142) 7.360 5.346 ( 2.282 14.723 -3.524) 15.310 5.346 ( 2.282 14.723 3.524) 15.310 5.672 ( -0.003 2.981 -3.372) 4.501 5.672 ( -0.003 2.981 3.372) 4.501 5.836 ( -1.461 10.487 -1.523) 10.697 5.836 ( -1.461 10.487 1.523) 10.697 6.042 ( -9.238 2.073 -3.590) 10.126 6.042 ( -9.238 2.073 3.590) 10.126 6.384 ( -5.811 3.299 -12.218) 13.925 6.384 ( -5.811 3.299 12.218) 13.925 6.644 ( 0.211 -2.847 -11.555) 11.903 6.644 ( 0.211 -2.847 11.555) 11.903 6.945 ( 9.730 2.465 -5.492) 11.442 6.945 ( 9.730 2.465 5.492) 11.442 7.390 ( -4.594 -0.791 -3.593) 5.885 7.390 ( -4.594 -0.791 3.593) 5.885 7.697 ( -2.615 -2.206 -2.484) 4.228 7.697 ( -2.615 -2.206 2.484) 4.228 7.838 ( 0.668 -4.377 -0.215) 4.433 7.838 ( 0.668 -4.377 0.215) 4.433 8.079 ( -7.284 1.153 -5.150) 8.995 8.079 ( -7.284 1.153 5.150) 8.995 8.864 ( -8.667 -3.257 -13.448) 16.327 8.864 ( -8.667 -3.257 13.448) 16.327 11.593 ( 8.632 -2.063 -2.087) 9.117 11.593 ( 8.632 -2.063 2.087) 9.117 11.926 ( 12.062 1.715 -1.466) 12.271 11.926 ( 12.062 1.715 1.466) 12.271 12.193 ( -3.235 -0.475 -0.233) 3.278 12.193 ( -3.235 -0.475 0.233) 3.278 13.419 ( -8.370 1.435 -2.531) 8.861 13.419 ( -8.370 1.435 2.531) 8.861 14.172 ( 0.279 -1.874 -1.252) 2.271 14.172 ( 0.279 -1.874 1.252) 2.271 14.471 ( -3.483 -2.486 -2.293) 4.855 14.471 ( -3.483 -2.486 2.293) 4.855 17.278 ( -0.353 -0.637 -3.457) 3.533 17.278 ( -0.353 -0.637 3.457) 3.533 17.309 ( -0.741 -1.404 -4.258) 4.544 17.309 ( -0.741 -1.404 4.258) 4.544 17.770 ( 5.014 0.488 -0.782) 5.098 17.770 ( 5.014 0.488 0.782) 5.098 18.204 ( -1.469 0.209 -0.718) 1.648 18.204 ( -1.469 0.209 0.718) 1.648 18.971 ( -0.514 1.948 -0.186) 2.023 18.971 ( -0.514 1.948 0.186) 2.023 19.158 ( 0.287 -2.830 -1.098) 3.049 19.158 ( 0.287 -2.830 1.098) 3.049 29.171 ( -0.198 4.424 -2.018) 4.867 29.171 ( -0.198 4.424 2.018) 4.867 29.561 ( -1.209 -2.839 -1.429) 3.400 29.561 ( -1.209 -2.839 1.429) 3.400 30.123 ( 0.952 8.426 -2.011) 8.715 30.123 ( 0.952 8.426 2.011) 8.715 30.412 ( -0.200 4.993 -3.686) 6.210 30.412 ( -0.200 4.993 3.686) 6.210 33.177 ( 7.460 3.984 -1.205) 8.542 33.177 ( 7.460 3.984 1.205) 8.542 34.711 ( -14.518 4.741 -7.197) 16.883 34.711 ( -14.518 4.741 7.197) 16.883 35.296 ( 2.337 -0.414 -11.605) 11.846 35.296 ( 2.337 -0.414 11.605) 11.846 35.999 ( 4.733 -16.291 -6.445) 18.148 35.999 ( 4.733 -16.291 6.445) 18.148 ======================= Grid point 228 (75/80) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 14.870 18.178 -0.976) 23.506 2.538 ( 14.870 18.178 0.976) 23.506 2.974 ( -0.564 11.384 -0.880) 11.432 2.974 ( -0.564 11.384 0.880) 11.432 3.259 ( 0.937 -1.997 -4.794) 5.277 3.259 ( 0.937 -1.997 4.794) 5.277 3.403 ( 3.531 5.476 -3.622) 7.455 3.403 ( 3.531 5.476 3.622) 7.455 3.485 ( -3.305 0.853 -7.205) 7.973 3.485 ( -3.305 0.853 7.205) 7.973 3.622 ( 5.366 5.942 -6.441) 10.276 3.622 ( 5.366 5.942 6.441) 10.276 3.979 ( 13.397 0.798 -3.562) 13.885 3.979 ( 13.397 0.798 3.562) 13.885 4.373 ( 6.897 6.026 -5.614) 10.742 4.373 ( 6.897 6.026 5.614) 10.742 4.581 ( -4.160 3.205 -3.452) 6.284 4.581 ( -4.160 3.205 3.452) 6.284 4.852 ( 15.495 -6.761 -3.795) 17.327 4.852 ( 15.495 -6.761 3.795) 17.327 5.362 ( -1.930 12.094 -7.252) 14.233 5.362 ( -1.930 12.094 7.252) 14.233 5.617 ( -12.389 7.713 -7.522) 16.419 5.617 ( -12.389 7.713 7.522) 16.419 5.700 ( -6.735 4.700 -2.346) 8.541 5.700 ( -6.735 4.700 2.346) 8.541 5.923 ( -0.986 6.087 -5.387) 8.188 5.923 ( -0.986 6.087 5.387) 8.188 6.312 ( 0.108 3.990 -6.124) 7.310 6.312 ( 0.108 3.990 6.124) 7.310 6.646 ( -0.587 -2.439 -5.424) 5.976 6.646 ( -0.587 -2.439 5.424) 5.976 7.072 ( 0.072 4.177 -6.225) 7.497 7.072 ( 0.072 4.177 6.225) 7.497 7.298 ( -1.940 -3.587 -5.839) 7.122 7.298 ( -1.940 -3.587 5.839) 7.122 7.662 ( -0.128 -3.424 -0.793) 3.517 7.662 ( -0.128 -3.424 0.793) 3.517 7.868 ( 0.332 0.982 -0.927) 1.391 7.868 ( 0.332 0.982 0.927) 1.391 7.961 ( -0.780 -2.289 -2.700) 3.624 7.961 ( -0.780 -2.289 2.700) 3.624 8.626 ( -13.846 -1.709 -6.924) 15.575 8.626 ( -13.846 -1.709 6.924) 15.575 11.759 ( 7.519 0.064 -1.670) 7.703 11.759 ( 7.519 0.064 1.670) 7.703 12.096 ( -5.137 -0.961 -0.630) 5.264 12.096 ( -5.137 -0.961 0.630) 5.264 12.295 ( 21.765 0.075 -4.810) 22.290 12.295 ( 21.765 0.075 4.810) 22.290 13.171 ( -15.924 0.344 -4.278) 16.492 13.171 ( -15.924 0.344 4.278) 16.492 14.186 ( 1.046 -0.975 -0.694) 1.589 14.186 ( 1.046 -0.975 0.694) 1.589 14.388 ( -4.152 -3.148 -1.551) 5.436 14.388 ( -4.152 -3.148 1.551) 5.436 17.272 ( -0.153 -1.192 -3.080) 3.306 17.272 ( -0.153 -1.192 3.080) 3.306 17.290 ( -0.958 -1.656 -3.642) 4.114 17.290 ( -0.958 -1.656 3.642) 4.114 17.890 ( 6.061 1.369 -1.272) 6.342 17.890 ( 6.061 1.369 1.272) 6.342 18.161 ( -2.684 -0.128 -1.187) 2.937 18.161 ( -2.684 -0.128 1.187) 2.937 18.960 ( -0.534 2.275 -0.184) 2.344 18.960 ( -0.534 2.275 0.184) 2.344 19.166 ( 0.412 -4.121 -0.725) 4.204 19.166 ( 0.412 -4.121 0.725) 4.204 29.166 ( -0.199 4.571 -1.274) 4.750 29.166 ( -0.199 4.571 1.274) 4.750 29.535 ( -1.127 -3.932 -1.151) 4.249 29.535 ( -1.127 -3.932 1.151) 4.249 30.144 ( 0.964 9.719 -1.318) 9.856 30.144 ( 0.964 9.719 1.318) 9.856 30.407 ( -0.226 4.689 -2.275) 5.217 30.407 ( -0.226 4.689 2.275) 5.217 33.379 ( 11.683 6.871 -2.158) 13.724 33.379 ( 11.683 6.871 2.158) 13.724 34.361 ( -17.916 0.822 -5.951) 18.896 34.361 ( -17.916 0.822 5.951) 18.896 35.361 ( 3.319 1.725 -6.751) 7.718 35.361 ( 3.319 1.725 6.751) 7.718 36.081 ( 2.834 -16.498 -3.645) 17.132 36.081 ( 2.834 -16.498 3.645) 17.132 ======================= Grid point 230 (76/80) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 0.000 22.303 0.000) 22.303 2.712 ( 0.000 22.303 0.000) 22.303 2.984 ( 0.000 9.662 -0.000) 9.662 2.984 ( -0.000 9.662 0.000) 9.662 3.220 ( 0.000 -6.167 -0.000) 6.167 3.220 ( 0.000 -6.167 0.000) 6.167 3.430 ( 0.000 4.980 -0.000) 4.980 3.430 ( 0.000 4.980 0.001) 4.980 3.435 ( -0.000 3.032 -0.001) 3.032 3.435 ( -0.000 3.032 0.000) 3.032 3.749 ( -0.000 0.739 0.000) 0.739 3.749 ( 0.000 0.739 0.000) 0.739 4.185 ( -0.000 4.178 0.000) 4.178 4.185 ( 0.000 4.178 0.000) 4.178 4.221 ( -0.000 7.111 0.000) 7.111 4.221 ( 0.000 7.111 0.000) 7.111 4.809 ( -0.000 4.802 0.000) 4.802 4.809 ( 0.000 4.802 0.000) 4.802 5.000 ( -0.000 -1.022 0.000) 1.022 5.000 ( 0.000 -1.022 0.000) 1.022 5.339 ( -0.000 5.370 -0.000) 5.370 5.339 ( 0.000 5.370 -0.000) 5.370 5.346 ( -0.000 -2.949 0.000) 2.949 5.346 ( 0.000 -2.949 0.000) 2.949 5.652 ( 0.000 11.291 0.000) 11.291 5.652 ( 0.000 11.291 0.000) 11.291 5.905 ( -0.000 7.996 0.000) 7.996 5.905 ( 0.000 7.996 0.000) 7.996 6.352 ( -0.000 5.726 0.000) 5.726 6.352 ( 0.000 5.726 0.000) 5.726 6.623 ( -0.000 -2.342 -0.000) 2.342 6.623 ( 0.000 -2.342 0.000) 2.342 7.034 ( 0.000 5.209 0.000) 5.209 7.034 ( 0.000 5.209 0.000) 5.209 7.294 ( 0.000 -5.854 0.000) 5.854 7.294 ( 0.000 -5.854 0.000) 5.854 7.672 ( 0.000 -4.395 -0.000) 4.395 7.672 ( 0.000 -4.395 -0.000) 4.395 7.840 ( 0.000 2.801 0.000) 2.801 7.840 ( 0.000 2.801 0.000) 2.801 8.033 ( 0.000 -1.534 0.000) 1.534 8.033 ( 0.000 -1.534 0.000) 1.534 8.427 ( 0.000 -1.816 0.000) 1.816 8.427 ( 0.000 -1.816 0.000) 1.816 11.863 ( 0.000 1.787 0.000) 1.787 11.863 ( 0.000 1.787 0.000) 1.787 12.013 ( 0.000 -2.309 0.000) 2.309 12.013 ( 0.000 -2.309 0.000) 2.309 12.675 ( -0.000 2.208 0.000) 2.208 12.675 ( 0.000 2.208 0.000) 2.208 12.860 ( -0.000 -2.528 -0.000) 2.528 12.860 ( 0.000 -2.528 0.000) 2.528 14.202 ( 0.000 -0.028 0.000) 0.028 14.202 ( 0.000 -0.028 0.000) 0.028 14.337 ( 0.000 -4.001 0.000) 4.001 14.337 ( 0.000 -4.001 0.000) 4.001 17.274 ( -0.000 -1.149 0.000) 1.149 17.274 ( 0.000 -1.149 0.000) 1.149 17.276 ( 0.000 -2.097 -0.000) 2.097 17.276 ( -0.000 -2.097 -0.000) 2.097 17.968 ( 0.000 2.714 0.000) 2.714 17.968 ( 0.000 2.714 0.000) 2.714 18.120 ( 0.000 -1.174 0.000) 1.174 18.120 ( 0.000 -1.174 0.000) 1.174 18.954 ( 0.000 2.506 0.000) 2.506 18.954 ( 0.000 2.506 0.000) 2.506 19.170 ( -0.000 -4.839 0.000) 4.839 19.170 ( 0.000 -4.839 0.000) 4.839 29.164 ( 0.000 4.652 0.000) 4.652 29.164 ( 0.000 4.652 0.000) 4.652 29.522 ( 0.000 -4.453 0.000) 4.453 29.522 ( 0.000 -4.453 0.000) 4.453 30.155 ( 0.000 10.382 0.000) 10.382 30.155 ( 0.000 10.382 0.000) 10.382 30.405 ( 0.000 4.491 -0.000) 4.491 30.405 ( 0.000 4.491 0.000) 4.491 33.545 ( -0.000 11.263 0.000) 11.263 33.545 ( 0.000 11.263 0.000) 11.263 34.128 ( 0.000 -3.843 0.000) 3.843 34.128 ( 0.000 -3.843 0.000) 3.843 35.399 ( 0.000 2.884 0.000) 2.884 35.399 ( 0.000 2.884 0.000) 2.884 36.109 ( 0.000 -16.955 0.000) 16.955 36.109 ( 0.000 -16.955 0.000) 16.955 ======================= Grid point 238 (77/80) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 4.405 -2.099) 4.879 2.255 ( 0.000 4.405 2.099) 4.879 2.900 ( 0.000 0.065 -5.125) 5.125 2.900 ( 0.000 0.065 5.125) 5.125 3.318 ( 0.000 6.266 -5.974) 8.657 3.318 ( 0.000 6.266 5.974) 8.657 3.412 ( 0.000 6.263 -2.598) 6.781 3.412 ( 0.000 6.263 2.598) 6.781 3.563 ( 0.000 -3.886 -2.140) 4.437 3.563 ( 0.000 -3.886 2.140) 4.437 3.587 ( 0.000 -1.137 -8.762) 8.835 3.587 ( 0.000 -1.137 8.762) 8.835 3.765 ( 0.000 1.325 -3.188) 3.452 3.765 ( 0.000 1.325 3.188) 3.452 3.985 ( 0.000 3.277 -7.314) 8.014 3.985 ( 0.000 3.277 7.314) 8.014 4.466 ( 0.000 -6.600 -7.105) 9.698 4.466 ( 0.000 -6.600 7.105) 9.698 4.943 ( 0.000 2.229 -0.574) 2.302 4.943 ( 0.000 2.229 0.574) 2.302 5.636 ( 0.000 8.901 -0.576) 8.919 5.636 ( 0.000 8.901 0.576) 8.919 5.718 ( 0.000 5.534 -2.189) 5.951 5.718 ( 0.000 5.534 2.189) 5.951 5.998 ( 0.000 2.612 -0.931) 2.773 5.998 ( 0.000 2.612 0.931) 2.773 6.193 ( 0.000 2.302 -0.552) 2.368 6.193 ( 0.000 2.302 0.552) 2.368 6.524 ( 0.000 2.402 -15.549) 15.733 6.524 ( 0.000 2.402 15.549) 15.733 6.585 ( 0.000 -3.248 -12.936) 13.338 6.585 ( 0.000 -3.248 12.936) 13.338 6.846 ( 0.000 0.816 -0.088) 0.821 6.846 ( 0.000 0.816 0.088) 0.821 7.516 ( 0.000 4.082 -2.731) 4.911 7.516 ( 0.000 4.082 2.731) 4.911 7.646 ( 0.000 -1.852 -4.855) 5.196 7.646 ( 0.000 -1.852 4.855) 5.196 7.791 ( 0.000 -1.924 -4.337) 4.745 7.791 ( 0.000 -1.924 4.337) 4.745 8.196 ( 0.000 2.025 -2.220) 3.005 8.196 ( 0.000 2.025 2.220) 3.005 8.806 ( 0.000 -7.059 -7.685) 10.435 8.806 ( 0.000 -7.059 7.685) 10.435 11.443 ( 0.000 -1.044 -0.316) 1.091 11.443 ( 0.000 -1.044 0.316) 1.091 11.852 ( 0.000 1.024 -0.141) 1.034 11.852 ( 0.000 1.024 0.141) 1.034 12.222 ( 0.000 -0.126 -0.026) 0.129 12.222 ( 0.000 -0.126 0.026) 0.129 13.534 ( 0.000 0.906 -0.638) 1.108 13.534 ( 0.000 0.906 0.638) 1.108 14.133 ( 0.000 -1.093 -0.619) 1.256 14.133 ( 0.000 -1.093 0.619) 1.256 14.473 ( 0.000 -1.015 -0.920) 1.370 14.473 ( 0.000 -1.015 0.920) 1.370 17.280 ( 0.000 0.216 -2.687) 2.695 17.280 ( 0.000 0.216 2.687) 2.695 17.296 ( 0.000 -0.775 -2.878) 2.980 17.296 ( 0.000 -0.775 2.878) 2.980 17.719 ( 0.000 0.083 -0.218) 0.234 17.719 ( 0.000 0.083 0.218) 0.234 18.222 ( 0.000 0.096 -0.071) 0.119 18.222 ( 0.000 0.096 0.071) 0.119 19.008 ( 0.000 0.943 -0.128) 0.952 19.008 ( 0.000 0.943 0.128) 0.952 19.119 ( 0.000 -1.009 -0.330) 1.062 19.119 ( 0.000 -1.009 0.330) 1.062 29.261 ( 0.000 3.162 -1.697) 3.588 29.261 ( 0.000 3.162 1.697) 3.588 29.527 ( 0.000 -1.815 -1.106) 2.125 29.527 ( 0.000 -1.815 1.106) 2.125 30.235 ( 0.000 3.378 -1.417) 3.663 30.235 ( 0.000 3.378 1.417) 3.663 30.479 ( 0.000 1.314 -2.209) 2.570 30.479 ( 0.000 1.314 2.209) 2.570 33.156 ( 0.000 1.755 -0.282) 1.778 33.156 ( 0.000 1.755 0.282) 1.778 35.024 ( 0.000 7.252 -1.786) 7.469 35.024 ( 0.000 7.252 1.786) 7.469 35.251 ( 0.000 -1.630 -12.584) 12.689 35.251 ( 0.000 -1.630 12.584) 12.689 35.626 ( 0.000 -10.571 -9.052) 13.917 35.626 ( 0.000 -10.571 9.052) 13.917 ======================= Grid point 240 (78/80) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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| 2.416 ( 14.579 4.449 -1.123) 15.284 2.416 ( 14.579 4.449 1.123) 15.284 3.037 ( 8.397 0.027 -3.576) 9.127 3.037 ( 8.397 0.027 3.576) 9.127 3.310 ( 0.023 7.266 -7.220) 10.243 3.310 ( 0.023 7.266 7.220) 10.243 3.428 ( 1.255 4.091 -4.476) 6.192 3.428 ( 1.255 4.091 4.476) 6.192 3.489 ( -4.469 -4.488 -3.679) 7.324 3.489 ( -4.469 -4.488 3.679) 7.324 3.638 ( 7.620 -3.070 -3.155) 8.800 3.638 ( 7.620 -3.070 3.155) 8.800 3.786 ( 4.216 6.463 -2.323) 8.059 3.786 ( 4.216 6.463 2.323) 8.059 4.235 ( 15.970 5.021 -5.859) 17.736 4.235 ( 15.970 5.021 5.859) 17.736 4.423 ( 0.507 -9.543 -8.375) 12.707 4.423 ( 0.507 -9.543 8.375) 12.707 4.869 ( -7.573 2.089 -0.968) 7.916 4.869 ( -7.573 2.089 0.968) 7.916 5.608 ( -3.035 4.646 -1.326) 5.705 5.608 ( -3.035 4.646 1.326) 5.705 5.804 ( 7.212 10.006 -3.188) 12.739 5.804 ( 7.212 10.006 3.188) 12.739 5.951 ( -5.172 0.843 -0.731) 5.291 5.951 ( -5.172 0.843 0.731) 5.291 6.119 ( -6.940 3.313 -1.549) 7.845 6.119 ( -6.940 3.313 1.549) 7.845 6.442 ( -5.865 1.758 -6.298) 8.783 6.442 ( -5.865 1.758 6.298) 8.783 6.587 ( 1.411 -1.877 -6.862) 7.253 6.587 ( 1.411 -1.877 6.862) 7.253 6.976 ( 9.423 0.659 -2.103) 9.677 6.976 ( 9.423 0.659 2.103) 9.677 7.475 ( -5.264 5.565 -2.889) 8.186 7.475 ( -5.264 5.565 2.889) 8.186 7.633 ( -1.382 -1.294 -4.701) 5.068 7.633 ( -1.382 -1.294 4.701) 5.068 7.732 ( -2.774 -5.986 -6.090) 8.979 7.732 ( -2.774 -5.987 6.090) 8.979 8.127 ( -5.948 2.966 -1.513) 6.817 8.127 ( -5.948 2.966 1.513) 6.817 8.743 ( -6.570 -5.957 -6.140) 10.787 8.743 ( -6.570 -5.957 6.140) 10.787 11.560 ( 9.873 -0.877 -0.829) 9.947 11.560 ( 9.873 -0.877 0.829) 9.947 11.953 ( 10.681 0.733 -0.420) 10.715 11.953 ( 10.681 0.733 0.420) 10.715 12.185 ( -3.581 -0.236 -0.089) 3.590 12.185 ( -3.581 -0.236 0.089) 3.590 13.442 ( -9.040 0.681 -1.004) 9.121 13.442 ( -9.040 0.681 1.004) 9.121 14.141 ( 0.848 -0.904 -0.530) 1.348 14.141 ( 0.848 -0.904 0.530) 1.348 14.432 ( -3.802 -1.097 -0.851) 4.048 14.432 ( -3.802 -1.097 0.851) 4.048 17.271 ( -0.781 0.077 -2.257) 2.389 17.271 ( -0.781 0.077 2.257) 2.389 17.286 ( -0.902 -0.820 -2.528) 2.806 17.286 ( -0.902 -0.820 2.528) 2.806 17.778 ( 5.424 0.191 -0.321) 5.437 17.778 ( 5.424 0.191 0.321) 5.437 18.207 ( -1.524 0.091 -0.271) 1.551 18.207 ( -1.524 0.091 0.271) 1.551 19.006 ( -0.164 1.114 -0.141) 1.135 19.006 ( -0.164 1.114 0.141) 1.135 19.112 ( -0.702 -1.360 -0.355) 1.571 19.112 ( -0.702 -1.360 0.355) 1.571 29.264 ( 0.330 3.566 -1.705) 3.967 29.264 ( 0.330 3.566 1.705) 3.967 29.500 ( -2.448 -2.450 -1.351) 3.718 29.500 ( -2.448 -2.450 1.351) 3.718 30.259 ( 2.165 3.868 -1.430) 4.658 30.259 ( 2.165 3.868 1.430) 4.658 30.472 ( -0.669 1.066 -2.115) 2.461 30.472 ( -0.669 1.066 2.115) 2.461 33.247 ( 8.880 2.145 -0.566) 9.153 33.247 ( 8.880 2.145 0.566) 9.153 34.812 ( -18.476 3.762 -4.089) 19.294 34.812 ( -18.476 3.762 4.089) 19.294 35.300 ( 5.205 0.734 -9.260) 10.648 35.300 ( 5.205 0.734 9.260) 10.648 35.706 ( 5.041 -9.646 -6.616) 12.737 35.706 ( 5.041 -9.646 6.616) 12.737 ======================= Grid point 242 (79/80) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 16.545 4.569 -0.358) 17.168 2.753 ( 16.545 4.569 0.358) 17.168 3.095 ( -0.605 0.536 -0.606) 1.011 3.095 ( -0.605 0.536 0.606) 1.011 3.275 ( -4.215 5.057 -9.014) 11.162 3.275 ( -4.215 5.057 9.014) 11.162 3.414 ( -2.154 -5.939 -6.429) 9.014 3.414 ( -2.154 -5.939 6.429) 9.014 3.517 ( 5.625 3.387 -0.397) 6.578 3.517 ( 5.625 3.387 0.397) 6.578 3.785 ( 1.926 6.016 -5.131) 8.138 3.785 ( 1.926 6.016 5.131) 8.138 3.988 ( 13.192 0.616 -1.565) 13.299 3.988 ( 13.192 0.616 1.565) 13.299 4.396 ( 10.823 -1.924 -3.193) 11.447 4.396 ( 10.823 -1.924 3.193) 11.447 4.663 ( -8.059 3.054 -2.717) 9.037 4.663 ( -8.059 3.054 2.717) 9.037 4.752 ( 21.142 -2.443 -1.493) 21.335 4.752 ( 21.142 -2.443 1.493) 21.335 5.503 ( -7.846 2.641 -2.106) 8.542 5.503 ( -7.846 2.641 2.107) 8.542 5.682 ( -20.495 -0.005 -1.593) 20.557 5.682 ( -20.495 -0.005 1.593) 20.557 5.920 ( 1.076 11.659 -4.257) 12.458 5.920 ( 1.076 11.659 4.257) 12.458 6.032 ( -0.775 1.387 -4.337) 4.618 6.032 ( -0.775 1.387 4.337) 4.618 6.394 ( 3.216 2.985 -1.792) 4.740 6.394 ( 3.216 2.985 1.792) 4.740 6.621 ( 0.692 0.104 -2.759) 2.846 6.621 ( 0.692 0.104 2.759) 2.846 7.123 ( 3.641 0.223 -2.991) 4.718 7.123 ( 3.641 0.223 2.991) 4.718 7.298 ( -9.763 2.437 -2.059) 10.271 7.298 ( -9.763 2.437 2.059) 10.271 7.622 ( 1.012 1.268 -0.997) 1.904 7.622 ( 1.012 1.268 0.997) 1.904 7.761 ( 3.870 -8.368 -2.347) 9.513 7.761 ( 3.870 -8.368 2.347) 9.513 8.020 ( -1.926 4.664 -0.775) 5.106 8.020 ( -1.926 4.664 0.775) 5.106 8.537 ( -13.486 -4.926 -3.308) 14.734 8.537 ( -13.486 -4.926 3.308) 14.734 11.759 ( 9.104 -0.027 -0.785) 9.138 11.759 ( 9.104 -0.027 0.785) 9.138 12.082 ( -6.213 -0.343 -0.368) 6.234 12.082 ( -6.213 -0.343 0.368) 6.234 12.294 ( 21.836 -0.063 -1.691) 21.902 12.294 ( 21.836 -0.063 1.691) 21.902 13.176 ( -17.194 0.102 -1.627) 17.271 13.176 ( -17.194 0.102 1.627) 17.271 14.170 ( 2.129 -0.412 -0.350) 2.196 14.170 ( 2.129 -0.412 0.350) 2.196 14.337 ( -5.054 -1.429 -0.611) 5.288 14.337 ( -5.054 -1.429 0.611) 5.288 17.255 ( -0.684 -0.260 -1.542) 1.706 17.255 ( -0.684 -0.260 1.542) 1.706 17.265 ( -1.000 -0.838 -1.773) 2.201 17.265 ( -1.000 -0.838 1.773) 2.201 17.913 ( 7.283 0.649 -0.545) 7.333 17.913 ( 7.283 0.649 0.545) 7.333 18.157 ( -3.502 -0.142 -0.500) 3.541 18.157 ( -3.502 -0.142 0.500) 3.541 19.006 ( 0.238 1.936 -0.120) 1.955 19.006 ( 0.238 1.936 0.120) 1.955 19.093 ( -1.018 -2.554 -0.305) 2.766 19.093 ( -1.018 -2.554 0.305) 2.766 29.274 ( 0.635 4.969 -1.427) 5.209 29.274 ( 0.635 4.969 1.427) 5.209 29.445 ( -2.586 -4.260 -1.331) 5.158 29.445 ( -2.586 -4.260 1.331) 5.158 30.310 ( 2.582 5.334 -1.306) 6.068 30.310 ( 2.582 5.334 1.306) 6.068 30.453 ( -1.185 0.028 -1.700) 2.073 30.453 ( -1.185 0.028 1.700) 2.073 33.501 ( 15.873 3.724 -1.093) 16.341 33.501 ( 15.873 3.724 1.093) 16.341 34.379 ( -22.886 0.660 -2.773) 23.063 34.379 ( -22.886 0.660 2.773) 23.063 35.431 ( 6.720 4.601 -5.616) 9.893 35.431 ( 6.720 4.601 5.616) 9.893 35.767 ( 0.819 -11.625 -4.448) 12.474 35.767 ( 0.819 -11.625 4.448) 12.474 ======================= Grid point 244 (80/80) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 0.000 6.217 0.000) 6.217 2.970 ( -0.000 6.217 0.000) 6.217 3.084 ( 0.000 -5.929 -0.000) 5.929 3.084 ( 0.000 -5.929 0.000) 5.929 3.190 ( 0.000 10.388 -0.000) 10.388 3.190 ( 0.000 10.388 0.000) 10.388 3.383 ( 0.000 -7.169 -0.000) 7.169 3.383 ( -0.000 -7.169 0.000) 7.169 3.621 ( 0.000 9.684 0.000) 9.684 3.621 ( 0.000 9.684 0.000) 9.684 3.746 ( -0.000 -2.354 0.000) 2.354 3.746 ( 0.000 -2.354 0.000) 2.354 4.245 ( -0.000 2.548 0.000) 2.548 4.245 ( 0.000 2.548 0.000) 2.548 4.288 ( -0.000 -0.510 -0.000) 0.510 4.288 ( 0.000 -0.510 0.000) 0.510 4.914 ( -0.000 4.329 0.000) 4.329 4.914 ( 0.000 4.329 0.000) 4.329 4.975 ( -0.000 -1.728 0.000) 1.728 4.975 ( 0.000 -1.728 0.000) 1.728 5.328 ( -0.000 0.828 0.000) 0.828 5.328 ( 0.000 0.828 0.000) 0.828 5.357 ( -0.000 -1.397 0.000) 1.397 5.357 ( 0.000 -1.397 0.000) 1.397 5.920 ( 0.000 10.398 0.000) 10.398 5.920 ( 0.000 10.398 0.000) 10.398 6.017 ( -0.000 1.067 0.000) 1.067 6.017 ( 0.000 1.067 0.000) 1.067 6.502 ( -0.000 7.392 0.000) 7.392 6.502 ( 0.000 7.392 0.000) 7.392 6.590 ( -0.000 -1.452 -0.000) 1.452 6.590 ( 0.000 -1.452 -0.000) 1.452 7.136 ( 0.000 3.521 -0.000) 3.521 7.136 ( 0.000 3.521 0.000) 3.521 7.193 ( 0.000 -3.466 0.000) 3.466 7.193 ( 0.000 -3.466 0.000) 3.466 7.644 ( 0.000 3.087 -0.000) 3.087 7.644 ( 0.000 3.087 0.000) 3.087 7.785 ( 0.000 -7.959 0.000) 7.959 7.785 ( 0.000 -7.959 0.000) 7.959 8.101 ( -0.000 8.726 0.000) 8.726 8.101 ( -0.000 8.726 0.000) 8.726 8.305 ( -0.000 -9.289 0.000) 9.289 8.305 ( 0.000 -9.289 0.000) 9.289 11.907 ( -0.000 2.423 0.000) 2.423 11.907 ( 0.000 2.423 0.000) 2.423 11.960 ( -0.000 -2.651 0.000) 2.651 11.960 ( 0.000 -2.651 0.000) 2.651 12.729 ( -0.000 3.067 0.000) 3.067 12.729 ( 0.000 3.067 0.000) 3.067 12.798 ( -0.000 -3.383 -0.000) 3.383 12.798 ( 0.000 -3.383 0.000) 3.383 14.215 ( -0.000 1.341 0.000) 1.341 14.215 ( 0.000 1.341 0.000) 1.341 14.261 ( 0.000 -3.120 0.000) 3.120 14.261 ( 0.000 -3.120 0.000) 3.120 17.248 ( 0.000 -0.485 0.000) 0.485 17.248 ( -0.000 -0.485 0.000) 0.485 17.253 ( -0.000 -0.786 -0.000) 0.786 17.253 ( 0.000 -0.786 -0.000) 0.786 18.028 ( -0.000 2.938 0.000) 2.938 18.028 ( 0.000 2.938 0.000) 2.938 18.083 ( 0.000 -2.309 0.000) 2.309 18.083 ( 0.000 -2.309 0.000) 2.309 19.011 ( -0.000 3.007 0.000) 3.007 19.011 ( 0.000 3.007 0.000) 3.007 19.080 ( -0.000 -3.816 0.000) 3.816 19.080 ( 0.000 -3.816 0.000) 3.816 29.283 ( 0.000 6.477 0.000) 6.477 29.283 ( 0.000 6.477 0.000) 6.477 29.415 ( 0.000 -5.950 0.000) 5.950 29.415 ( 0.000 -5.950 0.000) 5.950 30.342 ( 0.000 7.183 0.000) 7.183 30.342 ( -0.000 7.183 0.000) 7.183 30.436 ( 0.000 -1.628 -0.000) 1.628 30.436 ( 0.000 -1.628 0.000) 1.628 33.797 ( -0.000 12.105 0.000) 12.105 33.797 ( 0.000 12.105 0.000) 12.105 34.009 ( -0.000 -8.004 0.000) 8.004 34.009 ( 0.000 -8.004 0.000) 8.004 35.513 ( 0.000 8.690 0.000) 8.690 35.513 ( 0.000 8.690 0.000) 8.690 35.764 ( 0.000 -15.253 0.000) 15.253 35.764 ( 0.000 -15.253 0.000) 15.253 =================== 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 3/28224 10.0 216.128 242.603 682.319 0.000 0.000 0.000 3/28224 20.0 88.206 92.158 97.320 0.000 0.000 0.000 3/28224 30.0 50.407 46.694 42.432 0.000 0.000 0.000 3/28224 40.0 32.118 27.863 25.138 0.000 0.000 0.000 3/28224 50.0 22.608 18.875 17.091 0.000 0.000 0.000 3/28224 60.0 17.164 13.966 12.677 0.000 0.000 0.000 3/28224 70.0 13.764 10.992 9.988 0.000 0.000 0.000 3/28224 80.0 11.486 9.043 8.218 0.000 0.000 0.000 3/28224 90.0 9.870 7.682 6.979 0.000 0.000 0.000 3/28224 100.0 8.671 6.685 6.070 0.000 0.000 0.000 3/28224 110.0 7.749 5.925 5.376 0.000 0.000 0.000 3/28224 120.0 7.017 5.327 4.830 0.000 0.000 0.000 3/28224 130.0 6.424 4.844 4.389 0.000 0.000 0.000 3/28224 140.0 5.932 4.447 4.025 0.000 0.000 0.000 3/28224 150.0 5.517 4.114 3.720 0.000 0.000 0.000 3/28224 160.0 5.162 3.830 3.461 0.000 0.000 0.000 3/28224 170.0 4.854 3.586 3.237 0.000 0.000 0.000 3/28224 180.0 4.585 3.375 3.043 0.000 0.000 0.000 3/28224 190.0 4.347 3.189 2.873 0.000 0.000 0.000 3/28224 200.0 4.136 3.025 2.722 0.000 0.000 0.000 3/28224 210.0 3.947 2.879 2.588 0.000 0.000 0.000 3/28224 220.0 3.776 2.749 2.468 0.000 0.000 0.000 3/28224 230.0 3.621 2.631 2.359 0.000 0.000 0.000 3/28224 240.0 3.480 2.526 2.262 0.000 0.000 0.000 3/28224 250.0 3.351 2.429 2.172 0.000 0.000 0.000 3/28224 260.0 3.232 2.342 2.091 0.000 0.000 0.000 3/28224 270.0 3.123 2.262 2.017 0.000 0.000 0.000 3/28224 280.0 3.022 2.188 1.948 0.000 0.000 0.000 3/28224 290.0 2.928 2.120 1.885 0.000 0.000 0.000 3/28224 300.0 2.841 2.057 1.826 0.000 0.000 0.000 3/28224 310.0 2.760 1.999 1.772 0.000 0.000 0.000 3/28224 320.0 2.684 1.944 1.721 0.000 0.000 0.000 3/28224 330.0 2.612 1.893 1.674 0.000 0.000 0.000 3/28224 340.0 2.545 1.846 1.629 0.000 0.000 0.000 3/28224 350.0 2.481 1.801 1.588 0.000 0.000 0.000 3/28224 360.0 2.422 1.759 1.548 0.000 0.000 0.000 3/28224 370.0 2.365 1.719 1.511 0.000 0.000 0.000 3/28224 380.0 2.311 1.682 1.476 0.000 0.000 0.000 3/28224 390.0 2.260 1.646 1.443 0.000 0.000 0.000 3/28224 400.0 2.212 1.612 1.411 0.000 0.000 0.000 3/28224 410.0 2.165 1.580 1.381 0.000 0.000 0.000 3/28224 420.0 2.121 1.549 1.353 0.000 0.000 0.000 3/28224 430.0 2.079 1.520 1.325 0.000 0.000 0.000 3/28224 440.0 2.038 1.492 1.299 0.000 0.000 0.000 3/28224 450.0 2.000 1.465 1.274 0.000 0.000 0.000 3/28224 460.0 1.962 1.439 1.250 0.000 0.000 0.000 3/28224 470.0 1.927 1.415 1.228 0.000 0.000 0.000 3/28224 480.0 1.892 1.391 1.205 0.000 0.000 0.000 3/28224 490.0 1.859 1.368 1.184 0.000 0.000 0.000 3/28224 500.0 1.828 1.346 1.164 0.000 0.000 0.000 3/28224 510.0 1.797 1.324 1.144 0.000 0.000 0.000 3/28224 520.0 1.767 1.303 1.125 0.000 0.000 0.000 3/28224 530.0 1.739 1.283 1.107 0.000 0.000 0.000 3/28224 540.0 1.711 1.264 1.089 0.000 0.000 0.000 3/28224 550.0 1.684 1.245 1.072 0.000 0.000 0.000 3/28224 560.0 1.658 1.227 1.055 0.000 0.000 0.000 3/28224 570.0 1.633 1.210 1.039 0.000 0.000 0.000 3/28224 580.0 1.609 1.193 1.024 0.000 0.000 0.000 3/28224 590.0 1.585 1.176 1.009 0.000 0.000 0.000 3/28224 600.0 1.562 1.160 0.994 0.000 0.000 0.000 3/28224 610.0 1.540 1.144 0.980 0.000 0.000 0.000 3/28224 620.0 1.518 1.129 0.966 0.000 0.000 0.000 3/28224 630.0 1.497 1.114 0.953 0.000 0.000 0.000 3/28224 640.0 1.477 1.100 0.940 0.000 0.000 0.000 3/28224 650.0 1.457 1.086 0.927 0.000 0.000 0.000 3/28224 660.0 1.438 1.072 0.915 0.000 0.000 0.000 3/28224 670.0 1.419 1.059 0.903 0.000 0.000 0.000 3/28224 680.0 1.401 1.045 0.891 0.000 0.000 0.000 3/28224 690.0 1.383 1.033 0.880 0.000 0.000 0.000 3/28224 700.0 1.365 1.020 0.869 0.000 0.000 0.000 3/28224 710.0 1.348 1.008 0.858 0.000 0.000 0.000 3/28224 720.0 1.332 0.996 0.847 0.000 0.000 0.000 3/28224 730.0 1.316 0.985 0.837 0.000 0.000 0.000 3/28224 740.0 1.300 0.973 0.827 0.000 0.000 0.000 3/28224 750.0 1.285 0.962 0.817 0.000 0.000 0.000 3/28224 760.0 1.270 0.952 0.807 0.000 0.000 0.000 3/28224 770.0 1.255 0.941 0.798 0.000 0.000 0.000 3/28224 780.0 1.240 0.931 0.789 0.000 0.000 0.000 3/28224 790.0 1.226 0.921 0.780 0.000 0.000 0.000 3/28224 800.0 1.213 0.911 0.771 0.000 0.000 0.000 3/28224 810.0 1.199 0.901 0.763 0.000 0.000 0.000 3/28224 820.0 1.186 0.891 0.754 0.000 0.000 0.000 3/28224 830.0 1.173 0.882 0.746 0.000 0.000 0.000 3/28224 840.0 1.161 0.873 0.738 0.000 0.000 0.000 3/28224 850.0 1.148 0.864 0.730 0.000 0.000 0.000 3/28224 860.0 1.136 0.855 0.723 0.000 0.000 0.000 3/28224 870.0 1.124 0.847 0.715 0.000 0.000 0.000 3/28224 880.0 1.113 0.838 0.708 0.000 0.000 0.000 3/28224 890.0 1.101 0.830 0.700 0.000 0.000 0.000 3/28224 900.0 1.090 0.822 0.693 0.000 0.000 0.000 3/28224 910.0 1.079 0.814 0.686 0.000 0.000 0.000 3/28224 920.0 1.069 0.806 0.680 0.000 0.000 0.000 3/28224 930.0 1.058 0.798 0.673 0.000 0.000 0.000 3/28224 940.0 1.048 0.791 0.666 0.000 0.000 0.000 3/28224 950.0 1.038 0.783 0.660 0.000 0.000 0.000 3/28224 960.0 1.028 0.776 0.654 0.000 0.000 0.000 3/28224 970.0 1.018 0.769 0.647 0.000 0.000 0.000 3/28224 980.0 1.009 0.762 0.641 0.000 0.000 0.000 3/28224 990.0 0.999 0.755 0.635 0.000 0.000 0.000 3/28224 1000.0 0.990 0.748 0.630 0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:48:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|