----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:57:04]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.912282830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): *1 Ba 0.05062214639759 0.25000000000000 0.17626182329901 137.327 2 Ba 0.44937785360241 0.75000000000000 0.67626182329901 137.327 3 Ba 0.55062214639759 0.25000000000000 0.32373817670099 137.327 4 Ba 0.94937785360241 0.75000000000000 0.82373817670099 137.327 *5 Ti 0.23283013541393 0.75000000000000 0.39693952385421 47.867 *6 Ti 0.85400300469033 0.75000000000000 0.40834490966827 47.867 7 Ti 0.14599699530967 0.25000000000000 0.59165509033173 47.867 8 Ti 0.35400300469034 0.75000000000000 0.09165509033173 47.867 9 Ti 0.73283013541393 0.75000000000000 0.10306047614579 47.867 10 Ti 0.26716986458607 0.25000000000000 0.89693952385421 47.867 11 Ti 0.76716986458607 0.25000000000000 0.60306047614579 47.867 12 Ti 0.64599699530967 0.25000000000000 0.90834490966827 47.867 *13 O 0.23476939230137 0.75000000000000 0.21939252278412 15.999 *14 O 0.32678811365761 0.25000000000000 0.06976961235842 15.999 *15 O 0.30147321224866 0.75000000000000 0.91611374597579 15.999 *16 O 0.51266828320254 0.75000000000000 0.14984592741540 15.999 17 O 0.48733171679746 0.25000000000000 0.85015407258460 15.999 18 O 0.69852678775134 0.25000000000000 0.08388625402421 15.999 19 O 0.98733171679746 0.25000000000000 0.64984592741540 15.999 20 O 0.26523060769863 0.25000000000000 0.71939252278412 15.999 21 O 0.80147321224866 0.75000000000000 0.58388625402421 15.999 *22 O 0.59882967498332 0.25000000000000 0.57545596897468 15.999 23 O 0.73476939230137 0.75000000000000 0.28060747721589 15.999 24 O 0.82678811365761 0.25000000000000 0.43023038764158 15.999 25 O 0.67321188634239 0.75000000000000 0.93023038764158 15.999 26 O 0.90117032501668 0.75000000000000 0.07545596897468 15.999 27 O 0.40117032501668 0.75000000000000 0.42454403102532 15.999 28 O 0.17321188634239 0.75000000000000 0.56976961235842 15.999 29 O 0.19852678775134 0.25000000000000 0.41611374597579 15.999 30 O 0.01266828320254 0.75000000000000 0.35015407258460 15.999 31 O 0.09882967498332 0.25000000000000 0.92454403102532 15.999 32 O 0.76523060769863 0.25000000000000 0.78060747721588 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.912282830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): *1 Ba 0.05062214639759 0.25000000000000 0.17626182329901 137.327 > 1 2 Ba 0.44937785360241 0.75000000000000 0.67626182329901 137.327 > 2 3 Ba 0.55062214639759 0.25000000000000 0.32373817670099 137.327 > 3 4 Ba 0.94937785360241 0.75000000000000 0.82373817670099 137.327 > 4 *5 Ti 0.23283013541393 0.75000000000000 0.39693952385421 47.867 > 5 *6 Ti 0.85400300469033 0.75000000000000 0.40834490966827 47.867 > 6 7 Ti 0.14599699530967 0.25000000000000 0.59165509033173 47.867 > 7 8 Ti 0.35400300469034 0.75000000000000 0.09165509033173 47.867 > 8 9 Ti 0.73283013541393 0.75000000000000 0.10306047614579 47.867 > 9 10 Ti 0.26716986458607 0.25000000000000 0.89693952385421 47.867 > 10 11 Ti 0.76716986458607 0.25000000000000 0.60306047614579 47.867 > 11 12 Ti 0.64599699530967 0.25000000000000 0.90834490966827 47.867 > 12 *13 O 0.23476939230137 0.75000000000000 0.21939252278412 15.999 > 13 *14 O 0.32678811365761 0.25000000000000 0.06976961235842 15.999 > 14 *15 O 0.30147321224866 0.75000000000000 0.91611374597579 15.999 > 15 *16 O 0.51266828320254 0.75000000000000 0.14984592741540 15.999 > 16 17 O 0.48733171679746 0.25000000000000 0.85015407258460 15.999 > 17 18 O 0.69852678775134 0.25000000000000 0.08388625402421 15.999 > 18 19 O 0.98733171679746 0.25000000000000 0.64984592741540 15.999 > 19 20 O 0.26523060769863 0.25000000000000 0.71939252278412 15.999 > 20 21 O 0.80147321224866 0.75000000000000 0.58388625402421 15.999 > 21 *22 O 0.59882967498332 0.25000000000000 0.57545596897468 15.999 > 22 23 O 0.73476939230137 0.75000000000000 0.28060747721589 15.999 > 23 24 O 0.82678811365761 0.25000000000000 0.43023038764158 15.999 > 24 25 O 0.67321188634239 0.75000000000000 0.93023038764158 15.999 > 25 26 O 0.90117032501668 0.75000000000000 0.07545596897468 15.999 > 26 27 O 0.40117032501668 0.75000000000000 0.42454403102532 15.999 > 27 28 O 0.17321188634239 0.75000000000000 0.56976961235842 15.999 > 28 29 O 0.19852678775134 0.25000000000000 0.41611374597579 15.999 > 29 30 O 0.01266828320254 0.75000000000000 0.35015407258460 15.999 > 30 31 O 0.09882967498332 0.25000000000000 0.92454403102532 15.999 > 31 32 O 0.76523060769863 0.25000000000000 0.78060747721588 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736848490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): *1 Ba 0.05062214639759 0.08333333333333 0.17626182329901 137.327 > 1 2 Ba 0.05062214639759 0.41666666666667 0.17626182329901 137.327 > 1 3 Ba 0.05062214639759 0.75000000000000 0.17626182329901 137.327 > 1 4 Ba 0.44937785360241 0.25000000000000 0.67626182329901 137.327 > 2 5 Ba 0.44937785360241 0.58333333333333 0.67626182329901 137.327 > 2 6 Ba 0.44937785360241 0.91666666666667 0.67626182329901 137.327 > 2 7 Ba 0.55062214639759 0.08333333333333 0.32373817670099 137.327 > 3 8 Ba 0.55062214639759 0.41666666666667 0.32373817670099 137.327 > 3 9 Ba 0.55062214639759 0.75000000000000 0.32373817670099 137.327 > 3 10 Ba 0.94937785360241 0.25000000000000 0.82373817670099 137.327 > 4 11 Ba 0.94937785360241 0.58333333333333 0.82373817670099 137.327 > 4 12 Ba 0.94937785360241 0.91666666666667 0.82373817670099 137.327 > 4 *13 Ti 0.23283013541393 0.25000000000000 0.39693952385421 47.867 > 5 14 Ti 0.23283013541393 0.58333333333333 0.39693952385421 47.867 > 5 15 Ti 0.23283013541393 0.91666666666667 0.39693952385421 47.867 > 5 *16 Ti 0.85400300469033 0.25000000000000 0.40834490966827 47.867 > 6 17 Ti 0.85400300469033 0.58333333333333 0.40834490966827 47.867 > 6 18 Ti 0.85400300469033 0.91666666666667 0.40834490966827 47.867 > 6 19 Ti 0.14599699530967 0.08333333333333 0.59165509033173 47.867 > 7 20 Ti 0.14599699530967 0.41666666666667 0.59165509033173 47.867 > 7 21 Ti 0.14599699530967 0.75000000000000 0.59165509033173 47.867 > 7 22 Ti 0.35400300469034 0.25000000000000 0.09165509033173 47.867 > 8 23 Ti 0.35400300469034 0.58333333333333 0.09165509033173 47.867 > 8 24 Ti 0.35400300469034 0.91666666666667 0.09165509033173 47.867 > 8 25 Ti 0.73283013541393 0.25000000000000 0.10306047614579 47.867 > 9 26 Ti 0.73283013541393 0.58333333333333 0.10306047614579 47.867 > 9 27 Ti 0.73283013541393 0.91666666666667 0.10306047614579 47.867 > 9 28 Ti 0.26716986458607 0.08333333333333 0.89693952385421 47.867 > 10 29 Ti 0.26716986458607 0.41666666666667 0.89693952385421 47.867 > 10 30 Ti 0.26716986458607 0.75000000000000 0.89693952385421 47.867 > 10 31 Ti 0.76716986458607 0.08333333333333 0.60306047614579 47.867 > 11 32 Ti 0.76716986458607 0.41666666666667 0.60306047614579 47.867 > 11 33 Ti 0.76716986458607 0.75000000000000 0.60306047614579 47.867 > 11 34 Ti 0.64599699530967 0.08333333333333 0.90834490966827 47.867 > 12 35 Ti 0.64599699530967 0.41666666666667 0.90834490966827 47.867 > 12 36 Ti 0.64599699530967 0.75000000000000 0.90834490966827 47.867 > 12 *37 O 0.23476939230137 0.25000000000000 0.21939252278412 15.999 > 13 38 O 0.23476939230137 0.58333333333333 0.21939252278412 15.999 > 13 39 O 0.23476939230137 0.91666666666667 0.21939252278412 15.999 > 13 *40 O 0.32678811365761 0.08333333333333 0.06976961235842 15.999 > 14 41 O 0.32678811365761 0.41666666666667 0.06976961235842 15.999 > 14 42 O 0.32678811365761 0.75000000000000 0.06976961235842 15.999 > 14 *43 O 0.30147321224866 0.25000000000000 0.91611374597579 15.999 > 15 44 O 0.30147321224866 0.58333333333333 0.91611374597579 15.999 > 15 45 O 0.30147321224866 0.91666666666667 0.91611374597579 15.999 > 15 *46 O 0.51266828320254 0.25000000000000 0.14984592741540 15.999 > 16 47 O 0.51266828320254 0.58333333333333 0.14984592741540 15.999 > 16 48 O 0.51266828320254 0.91666666666667 0.14984592741540 15.999 > 16 49 O 0.48733171679746 0.08333333333333 0.85015407258460 15.999 > 17 50 O 0.48733171679746 0.41666666666667 0.85015407258460 15.999 > 17 51 O 0.48733171679746 0.75000000000000 0.85015407258460 15.999 > 17 52 O 0.69852678775134 0.08333333333333 0.08388625402421 15.999 > 18 53 O 0.69852678775134 0.41666666666667 0.08388625402421 15.999 > 18 54 O 0.69852678775134 0.75000000000000 0.08388625402421 15.999 > 18 55 O 0.98733171679746 0.08333333333333 0.64984592741540 15.999 > 19 56 O 0.98733171679746 0.41666666666667 0.64984592741540 15.999 > 19 57 O 0.98733171679746 0.75000000000000 0.64984592741540 15.999 > 19 58 O 0.26523060769863 0.08333333333333 0.71939252278412 15.999 > 20 59 O 0.26523060769863 0.41666666666667 0.71939252278412 15.999 > 20 60 O 0.26523060769863 0.75000000000000 0.71939252278412 15.999 > 20 61 O 0.80147321224866 0.25000000000000 0.58388625402421 15.999 > 21 62 O 0.80147321224866 0.58333333333333 0.58388625402421 15.999 > 21 63 O 0.80147321224866 0.91666666666667 0.58388625402421 15.999 > 21 *64 O 0.59882967498332 0.08333333333333 0.57545596897468 15.999 > 22 65 O 0.59882967498332 0.41666666666667 0.57545596897468 15.999 > 22 66 O 0.59882967498332 0.75000000000000 0.57545596897468 15.999 > 22 67 O 0.73476939230137 0.25000000000000 0.28060747721589 15.999 > 23 68 O 0.73476939230137 0.58333333333333 0.28060747721589 15.999 > 23 69 O 0.73476939230137 0.91666666666667 0.28060747721589 15.999 > 23 70 O 0.82678811365761 0.08333333333333 0.43023038764158 15.999 > 24 71 O 0.82678811365761 0.41666666666667 0.43023038764158 15.999 > 24 72 O 0.82678811365761 0.75000000000000 0.43023038764158 15.999 > 24 73 O 0.67321188634239 0.25000000000000 0.93023038764158 15.999 > 25 74 O 0.67321188634239 0.58333333333333 0.93023038764158 15.999 > 25 75 O 0.67321188634239 0.91666666666667 0.93023038764158 15.999 > 25 76 O 0.90117032501668 0.25000000000000 0.07545596897468 15.999 > 26 77 O 0.90117032501668 0.58333333333333 0.07545596897468 15.999 > 26 78 O 0.90117032501668 0.91666666666667 0.07545596897468 15.999 > 26 79 O 0.40117032501668 0.25000000000000 0.42454403102532 15.999 > 27 80 O 0.40117032501668 0.58333333333333 0.42454403102532 15.999 > 27 81 O 0.40117032501668 0.91666666666667 0.42454403102532 15.999 > 27 82 O 0.17321188634239 0.25000000000000 0.56976961235842 15.999 > 28 83 O 0.17321188634239 0.58333333333333 0.56976961235842 15.999 > 28 84 O 0.17321188634239 0.91666666666667 0.56976961235842 15.999 > 28 85 O 0.19852678775134 0.08333333333333 0.41611374597579 15.999 > 29 86 O 0.19852678775134 0.41666666666667 0.41611374597579 15.999 > 29 87 O 0.19852678775134 0.75000000000000 0.41611374597579 15.999 > 29 88 O 0.01266828320254 0.25000000000000 0.35015407258460 15.999 > 30 89 O 0.01266828320254 0.58333333333333 0.35015407258460 15.999 > 30 90 O 0.01266828320254 0.91666666666667 0.35015407258460 15.999 > 30 91 O 0.09882967498332 0.08333333333333 0.92454403102532 15.999 > 31 92 O 0.09882967498332 0.41666666666667 0.92454403102532 15.999 > 31 93 O 0.09882967498332 0.75000000000000 0.92454403102532 15.999 > 31 94 O 0.76523060769863 0.08333333333333 0.78060747721588 15.999 > 32 95 O 0.76523060769863 0.41666666666667 0.78060747721588 15.999 > 32 96 O 0.76523060769863 0.75000000000000 0.78060747721588 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7088424 0.0000000 0.0000000 0.0000000 4.9418965 0.0000000 0.0000000 0.0000000 4.8623425 -------------------------- Born effective charges -------------------------- 1 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 2 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 3 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 4 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 5 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 6 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 7 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 8 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 9 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 10 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 11 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 12 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 13 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 14 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 15 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 16 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 17 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 18 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 19 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 20 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 21 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 22 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 23 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 24 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 25 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 26 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 27 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 28 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 29 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 30 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 31 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 32 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.566 Solver_block: 200 / 480 - Time: 2.580 Solver_block: 300 / 480 - Time: 2.576 Solver_block: 400 / 480 - Time: 2.582 Solver_block: 480 / 480 - Time: 2.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.459 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), 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 13:57:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:57:34]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.912282830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): 1 Ba 0.05062214639759 0.25000000000000 0.17626182329901 137.327 2 Ba 0.44937785360241 0.75000000000000 0.67626182329901 137.327 3 Ba 0.55062214639759 0.25000000000000 0.32373817670099 137.327 4 Ba 0.94937785360241 0.75000000000000 0.82373817670099 137.327 5 Ti 0.23283013541393 0.75000000000000 0.39693952385421 47.867 6 Ti 0.85400300469033 0.75000000000000 0.40834490966827 47.867 7 Ti 0.14599699530967 0.25000000000000 0.59165509033173 47.867 8 Ti 0.35400300469034 0.75000000000000 0.09165509033173 47.867 9 Ti 0.73283013541393 0.75000000000000 0.10306047614579 47.867 10 Ti 0.26716986458607 0.25000000000000 0.89693952385421 47.867 11 Ti 0.76716986458607 0.25000000000000 0.60306047614579 47.867 12 Ti 0.64599699530967 0.25000000000000 0.90834490966827 47.867 13 O 0.23476939230137 0.75000000000000 0.21939252278412 15.999 14 O 0.32678811365761 0.25000000000000 0.06976961235842 15.999 15 O 0.30147321224866 0.75000000000000 0.91611374597579 15.999 16 O 0.51266828320254 0.75000000000000 0.14984592741540 15.999 17 O 0.48733171679746 0.25000000000000 0.85015407258460 15.999 18 O 0.69852678775134 0.25000000000000 0.08388625402421 15.999 19 O 0.98733171679746 0.25000000000000 0.64984592741540 15.999 20 O 0.26523060769863 0.25000000000000 0.71939252278412 15.999 21 O 0.80147321224866 0.75000000000000 0.58388625402421 15.999 22 O 0.59882967498332 0.25000000000000 0.57545596897468 15.999 23 O 0.73476939230137 0.75000000000000 0.28060747721589 15.999 24 O 0.82678811365761 0.25000000000000 0.43023038764158 15.999 25 O 0.67321188634239 0.75000000000000 0.93023038764158 15.999 26 O 0.90117032501668 0.75000000000000 0.07545596897468 15.999 27 O 0.40117032501668 0.75000000000000 0.42454403102532 15.999 28 O 0.17321188634239 0.75000000000000 0.56976961235842 15.999 29 O 0.19852678775134 0.25000000000000 0.41611374597579 15.999 30 O 0.01266828320254 0.75000000000000 0.35015407258460 15.999 31 O 0.09882967498332 0.25000000000000 0.92454403102532 15.999 32 O 0.76523060769863 0.25000000000000 0.78060747721588 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736848490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): 1 Ba 0.05062214639759 0.08333333333333 0.17626182329901 137.327 > 1 2 Ba 0.05062214639759 0.41666666666667 0.17626182329901 137.327 > 1 3 Ba 0.05062214639759 0.75000000000000 0.17626182329901 137.327 > 1 4 Ba 0.44937785360241 0.25000000000000 0.67626182329901 137.327 > 4 5 Ba 0.44937785360241 0.58333333333333 0.67626182329901 137.327 > 4 6 Ba 0.44937785360241 0.91666666666667 0.67626182329901 137.327 > 4 7 Ba 0.55062214639759 0.08333333333333 0.32373817670099 137.327 > 7 8 Ba 0.55062214639759 0.41666666666667 0.32373817670099 137.327 > 7 9 Ba 0.55062214639759 0.75000000000000 0.32373817670099 137.327 > 7 10 Ba 0.94937785360241 0.25000000000000 0.82373817670099 137.327 > 10 11 Ba 0.94937785360241 0.58333333333333 0.82373817670099 137.327 > 10 12 Ba 0.94937785360241 0.91666666666667 0.82373817670099 137.327 > 10 13 Ti 0.23283013541393 0.25000000000000 0.39693952385421 47.867 > 13 14 Ti 0.23283013541393 0.58333333333333 0.39693952385421 47.867 > 13 15 Ti 0.23283013541393 0.91666666666667 0.39693952385421 47.867 > 13 16 Ti 0.85400300469033 0.25000000000000 0.40834490966827 47.867 > 16 17 Ti 0.85400300469033 0.58333333333333 0.40834490966827 47.867 > 16 18 Ti 0.85400300469033 0.91666666666667 0.40834490966827 47.867 > 16 19 Ti 0.14599699530967 0.08333333333333 0.59165509033173 47.867 > 19 20 Ti 0.14599699530967 0.41666666666667 0.59165509033173 47.867 > 19 21 Ti 0.14599699530967 0.75000000000000 0.59165509033173 47.867 > 19 22 Ti 0.35400300469034 0.25000000000000 0.09165509033173 47.867 > 22 23 Ti 0.35400300469034 0.58333333333333 0.09165509033173 47.867 > 22 24 Ti 0.35400300469034 0.91666666666667 0.09165509033173 47.867 > 22 25 Ti 0.73283013541393 0.25000000000000 0.10306047614579 47.867 > 25 26 Ti 0.73283013541393 0.58333333333333 0.10306047614579 47.867 > 25 27 Ti 0.73283013541393 0.91666666666667 0.10306047614579 47.867 > 25 28 Ti 0.26716986458607 0.08333333333333 0.89693952385421 47.867 > 28 29 Ti 0.26716986458607 0.41666666666667 0.89693952385421 47.867 > 28 30 Ti 0.26716986458607 0.75000000000000 0.89693952385421 47.867 > 28 31 Ti 0.76716986458607 0.08333333333333 0.60306047614579 47.867 > 31 32 Ti 0.76716986458607 0.41666666666667 0.60306047614579 47.867 > 31 33 Ti 0.76716986458607 0.75000000000000 0.60306047614579 47.867 > 31 34 Ti 0.64599699530967 0.08333333333333 0.90834490966827 47.867 > 34 35 Ti 0.64599699530967 0.41666666666667 0.90834490966827 47.867 > 34 36 Ti 0.64599699530967 0.75000000000000 0.90834490966827 47.867 > 34 37 O 0.23476939230137 0.25000000000000 0.21939252278412 15.999 > 37 38 O 0.23476939230137 0.58333333333333 0.21939252278412 15.999 > 37 39 O 0.23476939230137 0.91666666666667 0.21939252278412 15.999 > 37 40 O 0.32678811365761 0.08333333333333 0.06976961235842 15.999 > 40 41 O 0.32678811365761 0.41666666666667 0.06976961235842 15.999 > 40 42 O 0.32678811365761 0.75000000000000 0.06976961235842 15.999 > 40 43 O 0.30147321224866 0.25000000000000 0.91611374597579 15.999 > 43 44 O 0.30147321224866 0.58333333333333 0.91611374597579 15.999 > 43 45 O 0.30147321224866 0.91666666666667 0.91611374597579 15.999 > 43 46 O 0.51266828320254 0.25000000000000 0.14984592741540 15.999 > 46 47 O 0.51266828320254 0.58333333333333 0.14984592741540 15.999 > 46 48 O 0.51266828320254 0.91666666666667 0.14984592741540 15.999 > 46 49 O 0.48733171679746 0.08333333333333 0.85015407258460 15.999 > 49 50 O 0.48733171679746 0.41666666666667 0.85015407258460 15.999 > 49 51 O 0.48733171679746 0.75000000000000 0.85015407258460 15.999 > 49 52 O 0.69852678775134 0.08333333333333 0.08388625402421 15.999 > 52 53 O 0.69852678775134 0.41666666666667 0.08388625402421 15.999 > 52 54 O 0.69852678775134 0.75000000000000 0.08388625402421 15.999 > 52 55 O 0.98733171679746 0.08333333333333 0.64984592741540 15.999 > 55 56 O 0.98733171679746 0.41666666666667 0.64984592741540 15.999 > 55 57 O 0.98733171679746 0.75000000000000 0.64984592741540 15.999 > 55 58 O 0.26523060769863 0.08333333333333 0.71939252278412 15.999 > 58 59 O 0.26523060769863 0.41666666666667 0.71939252278412 15.999 > 58 60 O 0.26523060769863 0.75000000000000 0.71939252278412 15.999 > 58 61 O 0.80147321224866 0.25000000000000 0.58388625402421 15.999 > 61 62 O 0.80147321224866 0.58333333333333 0.58388625402421 15.999 > 61 63 O 0.80147321224866 0.91666666666667 0.58388625402421 15.999 > 61 64 O 0.59882967498332 0.08333333333333 0.57545596897468 15.999 > 64 65 O 0.59882967498332 0.41666666666667 0.57545596897468 15.999 > 64 66 O 0.59882967498332 0.75000000000000 0.57545596897468 15.999 > 64 67 O 0.73476939230137 0.25000000000000 0.28060747721589 15.999 > 67 68 O 0.73476939230137 0.58333333333333 0.28060747721589 15.999 > 67 69 O 0.73476939230137 0.91666666666667 0.28060747721589 15.999 > 67 70 O 0.82678811365761 0.08333333333333 0.43023038764158 15.999 > 70 71 O 0.82678811365761 0.41666666666667 0.43023038764158 15.999 > 70 72 O 0.82678811365761 0.75000000000000 0.43023038764158 15.999 > 70 73 O 0.67321188634239 0.25000000000000 0.93023038764158 15.999 > 73 74 O 0.67321188634239 0.58333333333333 0.93023038764158 15.999 > 73 75 O 0.67321188634239 0.91666666666667 0.93023038764158 15.999 > 73 76 O 0.90117032501668 0.25000000000000 0.07545596897468 15.999 > 76 77 O 0.90117032501668 0.58333333333333 0.07545596897468 15.999 > 76 78 O 0.90117032501668 0.91666666666667 0.07545596897468 15.999 > 76 79 O 0.40117032501668 0.25000000000000 0.42454403102532 15.999 > 79 80 O 0.40117032501668 0.58333333333333 0.42454403102532 15.999 > 79 81 O 0.40117032501668 0.91666666666667 0.42454403102532 15.999 > 79 82 O 0.17321188634239 0.25000000000000 0.56976961235842 15.999 > 82 83 O 0.17321188634239 0.58333333333333 0.56976961235842 15.999 > 82 84 O 0.17321188634239 0.91666666666667 0.56976961235842 15.999 > 82 85 O 0.19852678775134 0.08333333333333 0.41611374597579 15.999 > 85 86 O 0.19852678775134 0.41666666666667 0.41611374597579 15.999 > 85 87 O 0.19852678775134 0.75000000000000 0.41611374597579 15.999 > 85 88 O 0.01266828320254 0.25000000000000 0.35015407258460 15.999 > 88 89 O 0.01266828320254 0.58333333333333 0.35015407258460 15.999 > 88 90 O 0.01266828320254 0.91666666666667 0.35015407258460 15.999 > 88 91 O 0.09882967498332 0.08333333333333 0.92454403102532 15.999 > 91 92 O 0.09882967498332 0.41666666666667 0.92454403102532 15.999 > 91 93 O 0.09882967498332 0.75000000000000 0.92454403102532 15.999 > 91 94 O 0.76523060769863 0.08333333333333 0.78060747721588 15.999 > 94 95 O 0.76523060769863 0.41666666666667 0.78060747721588 15.999 > 94 96 O 0.76523060769863 0.75000000000000 0.78060747721588 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7088424 0.0000000 0.0000000 0.0000000 4.9418965 0.0000000 0.0000000 0.0000000 4.8623425 -------------------------- Born effective charges -------------------------- 1 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 2 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 3 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 4 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 5 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 6 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 7 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 8 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 9 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 10 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 11 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 12 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 13 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 14 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 15 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 16 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 17 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 18 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 19 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 20 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 21 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 22 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 23 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 24 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 25 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 26 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 27 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 28 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 29 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 30 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 31 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 32 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 ---------------------------------------------------------------------------- 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[ 13, 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[ 16, 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[ 37, 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[ 40, 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[ 43, 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[ 46, 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[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 13:57:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:57:57]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.912282830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): 1 Ba 0.05062214639759 0.25000000000000 0.17626182329901 137.327 2 Ba 0.44937785360241 0.75000000000000 0.67626182329901 137.327 3 Ba 0.55062214639759 0.25000000000000 0.32373817670099 137.327 4 Ba 0.94937785360241 0.75000000000000 0.82373817670099 137.327 5 Ti 0.23283013541393 0.75000000000000 0.39693952385421 47.867 6 Ti 0.85400300469033 0.75000000000000 0.40834490966827 47.867 7 Ti 0.14599699530967 0.25000000000000 0.59165509033173 47.867 8 Ti 0.35400300469034 0.75000000000000 0.09165509033173 47.867 9 Ti 0.73283013541393 0.75000000000000 0.10306047614579 47.867 10 Ti 0.26716986458607 0.25000000000000 0.89693952385421 47.867 11 Ti 0.76716986458607 0.25000000000000 0.60306047614579 47.867 12 Ti 0.64599699530967 0.25000000000000 0.90834490966827 47.867 13 O 0.23476939230137 0.75000000000000 0.21939252278412 15.999 14 O 0.32678811365761 0.25000000000000 0.06976961235842 15.999 15 O 0.30147321224866 0.75000000000000 0.91611374597579 15.999 16 O 0.51266828320254 0.75000000000000 0.14984592741540 15.999 17 O 0.48733171679746 0.25000000000000 0.85015407258460 15.999 18 O 0.69852678775134 0.25000000000000 0.08388625402421 15.999 19 O 0.98733171679746 0.25000000000000 0.64984592741540 15.999 20 O 0.26523060769863 0.25000000000000 0.71939252278412 15.999 21 O 0.80147321224866 0.75000000000000 0.58388625402421 15.999 22 O 0.59882967498332 0.25000000000000 0.57545596897468 15.999 23 O 0.73476939230137 0.75000000000000 0.28060747721589 15.999 24 O 0.82678811365761 0.25000000000000 0.43023038764158 15.999 25 O 0.67321188634239 0.75000000000000 0.93023038764158 15.999 26 O 0.90117032501668 0.75000000000000 0.07545596897468 15.999 27 O 0.40117032501668 0.75000000000000 0.42454403102532 15.999 28 O 0.17321188634239 0.75000000000000 0.56976961235842 15.999 29 O 0.19852678775134 0.25000000000000 0.41611374597579 15.999 30 O 0.01266828320254 0.75000000000000 0.35015407258460 15.999 31 O 0.09882967498332 0.25000000000000 0.92454403102532 15.999 32 O 0.76523060769863 0.25000000000000 0.78060747721588 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.264919039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736848490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.882711949999997 Atomic positions (fractional): 1 Ba 0.05062214639759 0.08333333333333 0.17626182329901 137.327 > 1 2 Ba 0.05062214639759 0.41666666666667 0.17626182329901 137.327 > 1 3 Ba 0.05062214639759 0.75000000000000 0.17626182329901 137.327 > 1 4 Ba 0.44937785360241 0.25000000000000 0.67626182329901 137.327 > 4 5 Ba 0.44937785360241 0.58333333333333 0.67626182329901 137.327 > 4 6 Ba 0.44937785360241 0.91666666666667 0.67626182329901 137.327 > 4 7 Ba 0.55062214639759 0.08333333333333 0.32373817670099 137.327 > 7 8 Ba 0.55062214639759 0.41666666666667 0.32373817670099 137.327 > 7 9 Ba 0.55062214639759 0.75000000000000 0.32373817670099 137.327 > 7 10 Ba 0.94937785360241 0.25000000000000 0.82373817670099 137.327 > 10 11 Ba 0.94937785360241 0.58333333333333 0.82373817670099 137.327 > 10 12 Ba 0.94937785360241 0.91666666666667 0.82373817670099 137.327 > 10 13 Ti 0.23283013541393 0.25000000000000 0.39693952385421 47.867 > 13 14 Ti 0.23283013541393 0.58333333333333 0.39693952385421 47.867 > 13 15 Ti 0.23283013541393 0.91666666666667 0.39693952385421 47.867 > 13 16 Ti 0.85400300469033 0.25000000000000 0.40834490966827 47.867 > 16 17 Ti 0.85400300469033 0.58333333333333 0.40834490966827 47.867 > 16 18 Ti 0.85400300469033 0.91666666666667 0.40834490966827 47.867 > 16 19 Ti 0.14599699530967 0.08333333333333 0.59165509033173 47.867 > 19 20 Ti 0.14599699530967 0.41666666666667 0.59165509033173 47.867 > 19 21 Ti 0.14599699530967 0.75000000000000 0.59165509033173 47.867 > 19 22 Ti 0.35400300469034 0.25000000000000 0.09165509033173 47.867 > 22 23 Ti 0.35400300469034 0.58333333333333 0.09165509033173 47.867 > 22 24 Ti 0.35400300469034 0.91666666666667 0.09165509033173 47.867 > 22 25 Ti 0.73283013541393 0.25000000000000 0.10306047614579 47.867 > 25 26 Ti 0.73283013541393 0.58333333333333 0.10306047614579 47.867 > 25 27 Ti 0.73283013541393 0.91666666666667 0.10306047614579 47.867 > 25 28 Ti 0.26716986458607 0.08333333333333 0.89693952385421 47.867 > 28 29 Ti 0.26716986458607 0.41666666666667 0.89693952385421 47.867 > 28 30 Ti 0.26716986458607 0.75000000000000 0.89693952385421 47.867 > 28 31 Ti 0.76716986458607 0.08333333333333 0.60306047614579 47.867 > 31 32 Ti 0.76716986458607 0.41666666666667 0.60306047614579 47.867 > 31 33 Ti 0.76716986458607 0.75000000000000 0.60306047614579 47.867 > 31 34 Ti 0.64599699530967 0.08333333333333 0.90834490966827 47.867 > 34 35 Ti 0.64599699530967 0.41666666666667 0.90834490966827 47.867 > 34 36 Ti 0.64599699530967 0.75000000000000 0.90834490966827 47.867 > 34 37 O 0.23476939230137 0.25000000000000 0.21939252278412 15.999 > 37 38 O 0.23476939230137 0.58333333333333 0.21939252278412 15.999 > 37 39 O 0.23476939230137 0.91666666666667 0.21939252278412 15.999 > 37 40 O 0.32678811365761 0.08333333333333 0.06976961235842 15.999 > 40 41 O 0.32678811365761 0.41666666666667 0.06976961235842 15.999 > 40 42 O 0.32678811365761 0.75000000000000 0.06976961235842 15.999 > 40 43 O 0.30147321224866 0.25000000000000 0.91611374597579 15.999 > 43 44 O 0.30147321224866 0.58333333333333 0.91611374597579 15.999 > 43 45 O 0.30147321224866 0.91666666666667 0.91611374597579 15.999 > 43 46 O 0.51266828320254 0.25000000000000 0.14984592741540 15.999 > 46 47 O 0.51266828320254 0.58333333333333 0.14984592741540 15.999 > 46 48 O 0.51266828320254 0.91666666666667 0.14984592741540 15.999 > 46 49 O 0.48733171679746 0.08333333333333 0.85015407258460 15.999 > 49 50 O 0.48733171679746 0.41666666666667 0.85015407258460 15.999 > 49 51 O 0.48733171679746 0.75000000000000 0.85015407258460 15.999 > 49 52 O 0.69852678775134 0.08333333333333 0.08388625402421 15.999 > 52 53 O 0.69852678775134 0.41666666666667 0.08388625402421 15.999 > 52 54 O 0.69852678775134 0.75000000000000 0.08388625402421 15.999 > 52 55 O 0.98733171679746 0.08333333333333 0.64984592741540 15.999 > 55 56 O 0.98733171679746 0.41666666666667 0.64984592741540 15.999 > 55 57 O 0.98733171679746 0.75000000000000 0.64984592741540 15.999 > 55 58 O 0.26523060769863 0.08333333333333 0.71939252278412 15.999 > 58 59 O 0.26523060769863 0.41666666666667 0.71939252278412 15.999 > 58 60 O 0.26523060769863 0.75000000000000 0.71939252278412 15.999 > 58 61 O 0.80147321224866 0.25000000000000 0.58388625402421 15.999 > 61 62 O 0.80147321224866 0.58333333333333 0.58388625402421 15.999 > 61 63 O 0.80147321224866 0.91666666666667 0.58388625402421 15.999 > 61 64 O 0.59882967498332 0.08333333333333 0.57545596897468 15.999 > 64 65 O 0.59882967498332 0.41666666666667 0.57545596897468 15.999 > 64 66 O 0.59882967498332 0.75000000000000 0.57545596897468 15.999 > 64 67 O 0.73476939230137 0.25000000000000 0.28060747721589 15.999 > 67 68 O 0.73476939230137 0.58333333333333 0.28060747721589 15.999 > 67 69 O 0.73476939230137 0.91666666666667 0.28060747721589 15.999 > 67 70 O 0.82678811365761 0.08333333333333 0.43023038764158 15.999 > 70 71 O 0.82678811365761 0.41666666666667 0.43023038764158 15.999 > 70 72 O 0.82678811365761 0.75000000000000 0.43023038764158 15.999 > 70 73 O 0.67321188634239 0.25000000000000 0.93023038764158 15.999 > 73 74 O 0.67321188634239 0.58333333333333 0.93023038764158 15.999 > 73 75 O 0.67321188634239 0.91666666666667 0.93023038764158 15.999 > 73 76 O 0.90117032501668 0.25000000000000 0.07545596897468 15.999 > 76 77 O 0.90117032501668 0.58333333333333 0.07545596897468 15.999 > 76 78 O 0.90117032501668 0.91666666666667 0.07545596897468 15.999 > 76 79 O 0.40117032501668 0.25000000000000 0.42454403102532 15.999 > 79 80 O 0.40117032501668 0.58333333333333 0.42454403102532 15.999 > 79 81 O 0.40117032501668 0.91666666666667 0.42454403102532 15.999 > 79 82 O 0.17321188634239 0.25000000000000 0.56976961235842 15.999 > 82 83 O 0.17321188634239 0.58333333333333 0.56976961235842 15.999 > 82 84 O 0.17321188634239 0.91666666666667 0.56976961235842 15.999 > 82 85 O 0.19852678775134 0.08333333333333 0.41611374597579 15.999 > 85 86 O 0.19852678775134 0.41666666666667 0.41611374597579 15.999 > 85 87 O 0.19852678775134 0.75000000000000 0.41611374597579 15.999 > 85 88 O 0.01266828320254 0.25000000000000 0.35015407258460 15.999 > 88 89 O 0.01266828320254 0.58333333333333 0.35015407258460 15.999 > 88 90 O 0.01266828320254 0.91666666666667 0.35015407258460 15.999 > 88 91 O 0.09882967498332 0.08333333333333 0.92454403102532 15.999 > 91 92 O 0.09882967498332 0.41666666666667 0.92454403102532 15.999 > 91 93 O 0.09882967498332 0.75000000000000 0.92454403102532 15.999 > 91 94 O 0.76523060769863 0.08333333333333 0.78060747721588 15.999 > 94 95 O 0.76523060769863 0.41666666666667 0.78060747721588 15.999 > 94 96 O 0.76523060769863 0.75000000000000 0.78060747721588 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7088424 0.0000000 0.0000000 0.0000000 4.9418965 0.0000000 0.0000000 0.0000000 4.8623425 -------------------------- Born effective charges -------------------------- 1 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 2 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 3 Ba 2.9440802 0.0000000 0.1650907 0.0000000 2.7574810 0.0000000 -0.2388610 0.0000000 2.8456850 4 Ba 2.9440802 0.0000000 -0.1650907 0.0000000 2.7574810 0.0000000 0.2388610 0.0000000 2.8456850 5 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 6 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 7 Ti 4.0777778 0.0000000 0.0638323 0.0000000 5.3585873 0.0000000 0.5200599 0.0000000 4.2958719 8 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 9 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 10 Ti 4.6963592 0.0000000 0.2993075 0.0000000 5.2725646 0.0000000 0.4137485 0.0000000 5.4704234 11 Ti 4.6963592 0.0000000 -0.2993075 0.0000000 5.2725646 0.0000000 -0.4137485 0.0000000 5.4704234 12 Ti 4.0777778 0.0000000 -0.0638323 0.0000000 5.3585873 0.0000000 -0.5200599 0.0000000 4.2958719 13 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 14 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 15 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 16 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 17 O -3.7239898 0.0000000 -0.6928724 0.0000000 -1.4823021 0.0000000 -0.4725377 0.0000000 -1.4704045 18 O -1.1147649 0.0000000 -0.3776691 0.0000000 -4.4169953 0.0000000 -0.4810953 0.0000000 -2.5167038 19 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 20 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 21 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 22 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 23 O -2.2065263 0.0000000 -1.2312593 0.0000000 -1.6041380 0.0000000 -1.2401788 0.0000000 -4.4328217 24 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 25 O -1.2238477 0.0000000 -0.3031784 0.0000000 -4.4145518 0.0000000 -0.3897755 0.0000000 -2.5827943 26 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 27 O -3.4490884 0.0000000 -0.2896874 0.0000000 -1.4706457 0.0000000 0.1090381 0.0000000 -1.6092561 28 O -1.2238477 0.0000000 0.3031784 0.0000000 -4.4145518 0.0000000 0.3897755 0.0000000 -2.5827943 29 O -1.1147649 0.0000000 0.3776691 0.0000000 -4.4169953 0.0000000 0.4810953 0.0000000 -2.5167038 30 O -3.7239898 0.0000000 0.6928724 0.0000000 -1.4823021 0.0000000 0.4725377 0.0000000 -1.4704045 31 O -3.4490884 0.0000000 0.2896874 0.0000000 -1.4706457 0.0000000 -0.1090381 0.0000000 -1.6092561 32 O -2.2065263 0.0000000 1.2312593 0.0000000 -1.6041380 0.0000000 1.2401788 0.0000000 -4.4328217 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.184 ( 0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.285 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 13.912 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.853 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 0.000) 0.000 19.857 ( 0.000 0.000 0.000) 0.000 20.370 ( 0.000 0.000 0.000) 0.000 20.532 ( 0.000 0.000 0.000) 0.000 21.518 ( 0.000 0.000 0.000) 0.000 21.969 ( 0.000 0.000 0.000) 0.000 22.160 ( 0.000 0.000 0.000) 0.000 23.676 ( 0.000 0.000 0.000) 0.000 24.398 ( 0.000 0.000 0.000) 0.000 24.449 ( 0.000 0.000 0.000) 0.000 26.137 ( 0.000 0.000 0.000) 0.000 26.218 ( 0.000 0.000 0.000) 0.000 26.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 31.159 0.000 0.000) 31.159 0.735 ( 36.982 0.000 0.000) 36.982 0.772 ( 41.092 0.000 0.000) 41.092 1.951 ( -10.078 0.000 0.000) 10.078 1.972 ( 0.171 0.000 0.000) 0.171 2.233 ( -2.843 0.000 0.000) 2.843 2.357 ( 4.229 0.000 0.000) 4.229 2.494 ( -18.489 0.000 0.000) 18.489 2.623 ( -6.903 0.000 0.000) 6.903 2.698 ( 1.882 0.000 0.000) 1.882 2.845 ( -1.150 0.000 0.000) 1.150 3.110 ( -8.961 0.000 0.000) 8.961 3.196 ( 0.480 0.000 0.000) 0.480 3.336 ( -3.268 0.000 0.000) 3.268 3.357 ( 2.965 0.000 0.000) 2.965 3.612 ( 10.490 0.000 0.000) 10.490 3.782 ( -11.967 0.000 0.000) 11.967 3.793 ( -5.420 0.000 0.000) 5.420 4.005 ( -2.182 0.000 0.000) 2.182 4.083 ( -8.402 0.000 0.000) 8.402 4.319 ( 7.564 0.000 0.000) 7.564 4.335 ( 0.183 0.000 0.000) 0.183 4.698 ( 5.149 0.000 0.000) 5.149 4.983 ( -6.548 0.000 0.000) 6.548 5.102 ( 1.897 0.000 0.000) 1.897 5.224 ( -0.835 0.000 0.000) 0.835 5.653 ( -0.316 0.000 0.000) 0.316 5.707 ( -1.867 0.000 0.000) 1.867 5.742 ( 1.040 0.000 0.000) 1.040 5.766 ( 0.777 0.000 0.000) 0.777 5.945 ( 6.223 0.000 0.000) 6.223 6.171 ( 0.788 0.000 0.000) 0.788 6.631 ( -1.708 0.000 0.000) 1.708 6.824 ( -7.397 0.000 0.000) 7.397 7.096 ( 8.072 0.000 0.000) 8.072 7.279 ( -2.691 0.000 0.000) 2.691 7.650 ( 2.134 0.000 0.000) 2.134 7.655 ( 10.936 0.000 0.000) 10.936 7.699 ( 1.460 0.000 0.000) 1.460 7.787 ( 3.160 0.000 0.000) 3.160 7.875 ( 1.567 0.000 0.000) 1.567 8.052 ( -2.905 0.000 0.000) 2.905 8.179 ( -9.042 0.000 0.000) 9.042 8.262 ( -5.759 0.000 0.000) 5.759 8.309 ( -1.058 0.000 0.000) 1.058 8.336 ( -9.183 0.000 0.000) 9.183 8.501 ( 0.239 0.000 0.000) 0.239 8.553 ( -0.787 0.000 0.000) 0.787 8.585 ( 8.120 0.000 0.000) 8.120 8.718 ( 0.475 0.000 0.000) 0.475 8.764 ( 2.846 0.000 0.000) 2.846 8.782 ( 5.872 0.000 0.000) 5.872 8.863 ( -2.136 0.000 0.000) 2.136 8.922 ( 1.804 0.000 0.000) 1.804 8.972 ( 0.210 0.000 0.000) 0.210 9.072 ( -7.606 0.000 0.000) 7.606 10.190 ( -1.196 0.000 0.000) 1.196 10.257 ( -3.634 0.000 0.000) 3.634 10.338 ( 9.195 0.000 0.000) 9.195 11.234 ( 3.392 0.000 0.000) 3.392 11.326 ( -10.572 0.000 0.000) 10.572 11.481 ( 6.092 0.000 0.000) 6.092 11.491 ( -10.749 0.000 0.000) 10.749 11.951 ( 0.796 0.000 0.000) 0.796 12.031 ( 1.762 0.000 0.000) 1.762 12.245 ( -3.680 0.000 0.000) 3.680 12.731 ( 2.754 0.000 0.000) 2.754 12.882 ( -1.224 0.000 0.000) 1.224 13.044 ( 2.492 0.000 0.000) 2.492 13.262 ( -7.060 0.000 0.000) 7.060 13.768 ( 9.701 0.000 0.000) 9.701 14.155 ( -4.639 0.000 0.000) 4.639 14.392 ( 2.491 0.000 0.000) 2.491 14.523 ( 0.679 0.000 0.000) 0.679 14.994 ( -1.443 0.000 0.000) 1.443 15.031 ( -1.650 0.000 0.000) 1.650 15.175 ( 5.070 0.000 0.000) 5.070 15.354 ( 0.417 0.000 0.000) 0.417 16.730 ( 0.659 0.000 0.000) 0.659 16.814 ( -1.976 0.000 0.000) 1.976 16.891 ( 1.816 0.000 0.000) 1.816 16.962 ( -0.512 0.000 0.000) 0.512 17.668 ( 8.156 0.000 0.000) 8.156 18.792 ( -22.872 0.000 0.000) 22.872 20.360 ( -0.622 0.000 0.000) 0.622 20.380 ( 0.644 0.000 0.000) 0.644 20.676 ( 10.768 0.000 0.000) 10.768 21.253 ( -16.935 0.000 0.000) 16.935 22.559 ( 30.293 0.000 0.000) 30.293 23.719 ( 2.687 0.000 0.000) 2.687 24.304 ( -8.132 0.000 0.000) 8.132 24.420 ( -3.091 0.000 0.000) 3.091 25.693 ( 3.571 0.000 0.000) 3.571 26.072 ( -6.076 0.000 0.000) 6.076 26.745 ( 2.319 0.000 0.000) 2.319 26.852 ( -0.716 0.000 0.000) 0.716 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 26.695 0.000 0.000) 26.695 1.427 ( 33.659 0.000 0.000) 33.659 1.543 ( 19.934 0.000 0.000) 19.934 1.718 ( 3.202 0.000 0.000) 3.202 2.008 ( 3.890 0.000 0.000) 3.890 2.032 ( -27.990 0.000 0.000) 27.990 2.127 ( -6.816 0.000 0.000) 6.816 2.337 ( -26.243 0.000 0.000) 26.243 2.502 ( 10.194 0.000 0.000) 10.194 2.747 ( 2.923 0.000 0.000) 2.923 2.771 ( -18.944 0.000 0.000) 18.944 2.804 ( -2.731 0.000 0.000) 2.731 3.221 ( 2.164 0.000 0.000) 2.164 3.273 ( -2.878 0.000 0.000) 2.878 3.479 ( 8.431 0.000 0.000) 8.431 3.652 ( -8.636 0.000 0.000) 8.636 3.734 ( 5.039 0.000 0.000) 5.039 3.801 ( 8.438 0.000 0.000) 8.438 3.893 ( -9.965 0.000 0.000) 9.965 3.934 ( -5.215 0.000 0.000) 5.215 4.377 ( 3.117 0.000 0.000) 3.117 4.406 ( 1.211 0.000 0.000) 1.211 4.771 ( 2.933 0.000 0.000) 2.933 4.851 ( -5.843 0.000 0.000) 5.843 5.150 ( 2.568 0.000 0.000) 2.568 5.194 ( -2.007 0.000 0.000) 2.007 5.654 ( 0.492 0.000 0.000) 0.492 5.673 ( -1.453 0.000 0.000) 1.453 5.762 ( 0.865 0.000 0.000) 0.865 5.772 ( -0.130 0.000 0.000) 0.130 6.082 ( 6.600 0.000 0.000) 6.600 6.166 ( -1.843 0.000 0.000) 1.843 6.609 ( 0.533 0.000 0.000) 0.533 6.679 ( -6.498 0.000 0.000) 6.498 7.233 ( 4.665 0.000 0.000) 4.665 7.266 ( 0.231 0.000 0.000) 0.231 7.697 ( 2.324 0.000 0.000) 2.324 7.721 ( 0.197 0.000 0.000) 0.197 7.840 ( 7.376 0.000 0.000) 7.376 7.876 ( 5.753 0.000 0.000) 5.753 7.919 ( 0.773 0.000 0.000) 0.773 7.983 ( -4.376 0.000 0.000) 4.376 8.070 ( 0.519 0.000 0.000) 0.519 8.153 ( -3.226 0.000 0.000) 3.226 8.184 ( -5.700 0.000 0.000) 5.700 8.207 ( -9.082 0.000 0.000) 9.082 8.544 ( 3.717 0.000 0.000) 3.717 8.622 ( 8.048 0.000 0.000) 8.048 8.632 ( -5.076 0.000 0.000) 5.076 8.705 ( 3.556 0.000 0.000) 3.556 8.816 ( -2.355 0.000 0.000) 2.355 8.876 ( -10.730 0.000 0.000) 10.730 8.882 ( 3.939 0.000 0.000) 3.939 8.885 ( 5.246 0.000 0.000) 5.246 8.933 ( -0.711 0.000 0.000) 0.711 8.960 ( -1.868 0.000 0.000) 1.868 10.162 ( -0.619 0.000 0.000) 0.619 10.185 ( -2.945 0.000 0.000) 2.945 10.610 ( 17.499 0.000 0.000) 17.499 10.983 ( -20.059 0.000 0.000) 20.059 11.313 ( 4.258 0.000 0.000) 4.258 11.389 ( -3.570 0.000 0.000) 3.570 11.646 ( 10.299 0.000 0.000) 10.299 11.851 ( -9.528 0.000 0.000) 9.528 12.082 ( 3.463 0.000 0.000) 3.463 12.162 ( -4.491 0.000 0.000) 4.491 12.792 ( 3.163 0.000 0.000) 3.163 12.847 ( -2.375 0.000 0.000) 2.375 13.103 ( 3.159 0.000 0.000) 3.159 13.164 ( -3.444 0.000 0.000) 3.444 13.933 ( 7.020 0.000 0.000) 7.020 14.052 ( -5.603 0.000 0.000) 5.603 14.457 ( 3.671 0.000 0.000) 3.671 14.515 ( -1.829 0.000 0.000) 1.829 14.981 ( 0.123 0.000 0.000) 0.123 14.998 ( -1.509 0.000 0.000) 1.509 15.276 ( 4.731 0.000 0.000) 4.731 15.343 ( -1.941 0.000 0.000) 1.941 16.749 ( 1.254 0.000 0.000) 1.254 16.778 ( -1.715 0.000 0.000) 1.715 16.923 ( 1.463 0.000 0.000) 1.463 16.947 ( -1.010 0.000 0.000) 1.010 17.910 ( 16.677 0.000 0.000) 16.677 18.312 ( -24.006 0.000 0.000) 24.006 20.360 ( 0.657 0.000 0.000) 0.657 20.379 ( -0.877 0.000 0.000) 0.877 20.858 ( 7.492 0.000 0.000) 7.492 21.002 ( -8.843 0.000 0.000) 8.843 23.159 ( 29.274 0.000 0.000) 29.274 23.625 ( -15.861 0.000 0.000) 15.861 24.219 ( 2.369 0.000 0.000) 2.369 24.327 ( -6.236 0.000 0.000) 6.236 25.790 ( 6.282 0.000 0.000) 6.282 25.930 ( -7.747 0.000 0.000) 7.747 26.793 ( 2.319 0.000 0.000) 2.319 26.831 ( -1.511 0.000 0.000) 1.511 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 37.038 0.000) 37.038 0.755 ( 0.000 37.110 0.000) 37.110 1.339 ( 0.000 62.513 0.000) 62.513 2.007 ( 0.000 3.588 0.000) 3.588 2.103 ( 0.000 5.321 0.000) 5.321 2.271 ( 0.000 -1.711 0.000) 1.711 2.275 ( 0.000 3.023 0.000) 3.023 2.532 ( 0.000 -10.287 0.000) 10.287 2.632 ( 0.000 -5.967 0.000) 5.967 2.732 ( 0.000 5.254 0.000) 5.254 2.902 ( 0.000 3.707 0.000) 3.707 3.059 ( 0.000 -10.948 0.000) 10.948 3.183 ( 0.000 2.547 0.000) 2.547 3.299 ( 0.000 10.408 0.000) 10.408 3.371 ( 0.000 0.818 0.000) 0.818 3.620 ( 0.000 13.520 0.000) 13.520 3.791 ( 0.000 19.119 0.000) 19.119 4.009 ( 0.000 12.718 0.000) 12.718 4.163 ( 0.000 2.465 0.000) 2.465 4.224 ( 0.000 17.048 0.000) 17.048 4.279 ( 0.000 16.153 0.000) 16.153 4.342 ( 0.000 28.488 0.000) 28.488 4.623 ( 0.000 1.322 0.000) 1.322 5.003 ( 0.000 -3.102 0.000) 3.102 5.127 ( 0.000 9.011 0.000) 9.011 5.260 ( 0.000 3.766 0.000) 3.766 5.620 ( 0.000 -5.428 0.000) 5.428 5.804 ( 0.000 4.330 0.000) 4.330 5.957 ( 0.000 27.787 0.000) 27.787 6.017 ( 0.000 26.128 0.000) 26.128 6.113 ( 0.000 22.732 0.000) 22.732 6.366 ( 0.000 29.757 0.000) 29.757 6.526 ( 0.000 -9.760 0.000) 9.760 6.900 ( 0.000 -3.525 0.000) 3.525 6.920 ( 0.000 -3.411 0.000) 3.411 7.251 ( 0.000 -6.762 0.000) 6.762 7.342 ( 0.000 -15.073 0.000) 15.073 7.689 ( 0.000 -10.073 0.000) 10.073 7.792 ( 0.000 1.764 0.000) 1.764 7.833 ( 0.000 17.577 0.000) 17.577 8.065 ( 0.000 -27.935 0.000) 27.935 8.133 ( 0.000 1.966 0.000) 1.966 8.243 ( 0.000 -0.837 0.000) 0.837 8.408 ( 0.000 2.257 0.000) 2.257 8.473 ( 0.000 1.196 0.000) 1.196 8.493 ( 0.000 13.706 0.000) 13.706 8.552 ( 0.000 -1.663 0.000) 1.663 8.560 ( 0.000 -4.833 0.000) 4.833 8.706 ( 0.000 0.852 0.000) 0.852 8.715 ( 0.000 16.956 0.000) 16.956 8.931 ( 0.000 13.780 0.000) 13.780 9.032 ( 0.000 11.556 0.000) 11.556 9.053 ( 0.000 6.444 0.000) 6.444 9.179 ( 0.000 26.488 0.000) 26.488 9.257 ( 0.000 15.510 0.000) 15.510 9.987 ( 0.000 7.150 0.000) 7.150 10.212 ( 0.000 3.044 0.000) 3.044 10.336 ( 0.000 4.002 0.000) 4.002 10.882 ( 0.000 -8.238 0.000) 8.238 11.334 ( 0.000 7.767 0.000) 7.767 11.431 ( 0.000 2.502 0.000) 2.502 11.454 ( 0.000 6.201 0.000) 6.201 11.602 ( 0.000 -10.241 0.000) 10.241 11.771 ( 0.000 -6.130 0.000) 6.130 12.289 ( 0.000 25.207 0.000) 25.207 12.483 ( 0.000 17.817 0.000) 17.817 12.909 ( 0.000 12.068 0.000) 12.068 13.014 ( 0.000 -0.215 0.000) 0.215 13.515 ( 0.000 16.778 0.000) 16.778 13.608 ( 0.000 -1.651 0.000) 1.651 13.873 ( 0.000 -3.853 0.000) 3.853 14.287 ( 0.000 -7.553 0.000) 7.553 14.383 ( 0.000 -11.945 0.000) 11.945 15.051 ( 0.000 0.279 0.000) 0.279 15.136 ( 0.000 11.565 0.000) 11.565 15.247 ( 0.000 4.221 0.000) 4.221 15.255 ( 0.000 16.627 0.000) 16.627 16.245 ( 0.000 -40.403 0.000) 40.403 16.706 ( 0.000 -21.667 0.000) 21.667 16.784 ( 0.000 5.592 0.000) 5.592 16.879 ( 0.000 2.238 0.000) 2.238 18.184 ( 0.000 39.464 0.000) 39.464 19.187 ( 0.000 20.132 0.000) 20.132 19.882 ( 0.000 2.943 0.000) 2.943 20.428 ( 0.000 5.640 0.000) 5.640 20.573 ( 0.000 3.808 0.000) 3.808 20.941 ( 0.000 -5.572 0.000) 5.572 21.513 ( 0.000 -0.471 0.000) 0.471 21.992 ( 0.000 2.505 0.000) 2.505 22.204 ( 0.000 4.439 0.000) 4.439 23.663 ( 0.000 -1.412 0.000) 1.412 24.413 ( 0.000 1.577 0.000) 1.577 24.421 ( 0.000 -2.785 0.000) 2.785 26.033 ( 0.000 -10.124 0.000) 10.124 26.167 ( 0.000 -4.963 0.000) 4.963 26.623 ( 0.000 -9.394 0.000) 9.394 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -1.966 29.088 0.000) 29.155 0.960 ( 18.292 27.280 0.000) 32.845 1.735 ( 28.118 47.767 0.000) 55.428 2.000 ( -9.555 4.683 0.000) 10.641 2.004 ( -0.309 3.441 0.000) 3.455 2.244 ( -22.959 -13.892 0.000) 26.834 2.247 ( -1.712 3.865 0.000) 4.227 2.368 ( 6.485 1.138 0.000) 6.584 2.695 ( 0.114 0.129 0.000) 0.173 2.733 ( 0.336 3.817 0.000) 3.832 2.876 ( -2.756 2.119 0.000) 3.477 3.007 ( -3.381 -7.122 0.000) 7.884 3.213 ( 0.969 3.815 0.000) 3.936 3.215 ( 1.860 2.365 0.000) 3.009 3.659 ( 13.350 -7.281 0.000) 15.207 3.671 ( 2.292 7.084 0.000) 7.446 3.822 ( 3.103 20.322 0.000) 20.557 3.936 ( -6.243 11.158 0.000) 12.785 4.045 ( -12.583 28.715 0.000) 31.351 4.121 ( -2.615 9.205 0.000) 9.569 4.306 ( 6.081 9.136 0.000) 10.974 4.457 ( 3.692 15.341 0.000) 15.779 4.574 ( -2.741 1.357 0.000) 3.059 4.910 ( -8.351 -4.174 0.000) 9.336 5.140 ( 1.681 9.272 0.000) 9.423 5.272 ( 0.430 5.543 0.000) 5.560 5.666 ( 3.638 -5.058 0.000) 6.230 5.815 ( 0.337 3.842 0.000) 3.857 5.955 ( 0.185 26.356 0.000) 26.357 6.008 ( -0.812 25.599 0.000) 25.612 6.150 ( 3.469 22.872 0.000) 23.133 6.347 ( -2.016 27.119 0.000) 27.194 6.512 ( -0.849 -9.185 0.000) 9.224 6.780 ( -6.944 -2.628 0.000) 7.424 7.061 ( 8.527 -3.326 0.000) 9.152 7.216 ( -1.002 -4.698 0.000) 4.803 7.422 ( 5.272 -18.527 0.000) 19.263 7.676 ( -1.575 -12.099 0.000) 12.201 7.809 ( 3.060 10.310 0.000) 10.754 7.919 ( 6.442 8.805 0.000) 10.910 7.927 ( -6.518 -17.120 0.000) 18.319 8.210 ( 1.441 -0.031 0.000) 1.441 8.225 ( -1.769 -0.735 0.000) 1.916 8.267 ( -8.461 1.419 0.000) 8.579 8.496 ( -2.610 -3.682 0.000) 4.514 8.515 ( 2.571 7.971 0.000) 8.376 8.566 ( 3.765 3.465 0.000) 5.117 8.608 ( 2.332 2.216 0.000) 3.217 8.700 ( -0.582 17.024 0.000) 17.034 8.764 ( 4.634 0.397 0.000) 4.651 8.973 ( 3.159 11.079 0.000) 11.521 8.978 ( -4.351 15.509 0.000) 16.108 9.033 ( -2.174 9.183 0.000) 9.436 9.193 ( 0.912 24.362 0.000) 24.380 9.200 ( -5.232 17.543 0.000) 18.306 9.792 ( -23.149 28.944 0.000) 37.062 10.253 ( 3.150 3.090 0.000) 4.413 10.300 ( -3.293 4.332 0.000) 5.441 10.647 ( -16.994 15.781 0.000) 23.191 11.292 ( -0.873 9.674 0.000) 9.713 11.325 ( -17.825 -3.837 0.000) 18.233 11.440 ( 3.898 -1.880 0.000) 4.328 11.457 ( -2.468 1.617 0.000) 2.950 11.840 ( 0.148 -7.092 0.000) 7.094 12.305 ( 1.519 24.700 0.000) 24.746 12.462 ( -2.214 18.161 0.000) 18.296 12.937 ( 2.763 11.471 0.000) 11.799 13.032 ( 1.570 -0.344 0.000) 1.607 13.363 ( -7.184 11.979 0.000) 13.968 13.707 ( -17.236 10.503 0.000) 20.184 13.797 ( 10.971 4.822 0.000) 11.983 14.304 ( 1.823 -8.263 0.000) 8.462 14.382 ( -1.077 -10.677 0.000) 10.731 14.803 ( -32.472 18.944 0.000) 37.594 15.125 ( -0.603 13.062 0.000) 13.076 15.197 ( -3.735 12.073 0.000) 12.638 15.310 ( 4.748 15.851 0.000) 16.547 16.207 (-101.598 118.502 0.000) 156.093 16.280 ( 3.643 -39.024 0.000) 39.194 16.653 ( -4.988 -21.768 0.000) 22.332 16.805 ( 1.082 3.378 0.000) 3.547 16.872 ( -0.627 2.400 0.000) 2.481 18.241 ( 5.878 38.853 0.000) 39.295 19.074 ( -18.478 22.452 0.000) 29.077 20.423 ( -2.716 6.529 0.000) 7.072 20.435 ( 0.312 5.324 0.000) 5.334 20.727 ( 10.723 4.980 0.000) 11.823 21.271 ( -15.769 1.899 0.000) 15.883 22.577 ( 28.909 1.825 0.000) 28.966 23.678 ( 2.740 -4.735 0.000) 5.471 24.269 ( -2.665 -7.516 0.000) 7.974 24.390 ( -3.204 -2.943 0.000) 4.351 24.899 ( 65.123 -61.128 0.000) 89.317 25.966 ( -6.463 -10.436 0.000) 12.275 26.322 ( 13.318 -18.661 0.000) 22.926 26.630 ( 0.380 -11.030 0.000) 11.037 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 35.047 -12.279 0.000) 37.136 1.355 ( 19.215 14.282 0.000) 23.942 1.653 ( -32.774 -17.079 0.000) 36.957 1.742 ( -16.383 8.096 0.000) 18.274 2.058 ( 3.376 4.575 0.000) 5.686 2.138 ( -1.241 4.864 0.000) 5.019 2.318 ( 20.894 30.769 0.000) 37.193 2.527 ( 10.966 3.444 0.000) 11.494 2.610 ( -8.453 8.120 0.000) 11.721 2.770 ( 3.638 2.766 0.000) 4.571 2.783 ( -8.699 0.775 0.000) 8.733 2.891 ( -9.394 6.363 0.000) 11.346 3.244 ( 1.422 2.471 0.000) 2.851 3.252 ( 1.155 4.268 0.000) 4.422 3.629 ( -1.973 8.925 0.000) 9.141 3.700 ( -6.751 1.506 0.000) 6.917 3.892 ( 2.920 15.123 0.000) 15.402 3.900 ( 2.215 6.566 0.000) 6.930 3.972 ( 3.584 20.098 0.000) 20.415 4.058 ( -4.064 12.981 0.000) 13.602 4.397 ( 3.378 3.764 0.000) 5.058 4.466 ( -2.542 6.810 0.000) 7.269 4.602 ( 5.175 -2.410 0.000) 5.709 4.733 ( -8.427 -4.891 0.000) 9.743 5.199 ( 3.965 9.559 0.000) 10.349 5.260 ( -1.807 8.705 0.000) 8.890 5.734 ( 3.244 -2.966 0.000) 4.395 5.793 ( -2.532 1.110 0.000) 2.765 5.969 ( 1.082 24.051 0.000) 24.075 5.990 ( -1.008 24.333 0.000) 24.354 6.225 ( 3.628 22.151 0.000) 22.446 6.292 ( -3.354 23.379 0.000) 23.619 6.532 ( 3.592 -5.697 0.000) 6.735 6.641 ( -6.891 -2.964 0.000) 7.502 7.199 ( 4.210 -3.638 0.000) 5.564 7.222 ( 0.763 -4.184 0.000) 4.253 7.518 ( 4.798 -19.929 0.000) 20.498 7.612 ( -4.652 -18.305 0.000) 18.886 7.900 ( 3.653 -8.972 0.000) 9.687 7.911 ( 7.058 12.199 0.000) 14.094 7.987 ( -1.785 -2.024 0.000) 2.699 8.074 ( -9.072 10.518 0.000) 13.890 8.209 ( 1.264 4.701 0.000) 4.868 8.234 ( -0.509 -0.710 0.000) 0.874 8.465 ( 0.135 -2.518 0.000) 2.522 8.510 ( -2.790 5.012 0.000) 5.736 8.642 ( 2.832 -0.535 0.000) 2.882 8.656 ( 1.368 -0.542 0.000) 1.472 8.744 ( 7.216 31.901 0.000) 32.707 8.813 ( 0.658 11.600 0.000) 11.618 8.883 ( -4.153 15.631 0.000) 16.173 8.983 ( -6.884 27.236 0.000) 28.093 9.030 ( 1.583 9.578 0.000) 9.707 9.055 ( -6.596 16.143 0.000) 17.439 9.213 ( 1.814 24.456 0.000) 24.523 9.325 ( -13.625 36.959 0.000) 39.391 10.239 ( -2.107 5.342 0.000) 5.743 10.241 ( -2.324 7.162 0.000) 7.530 10.636 ( 12.308 2.644 0.000) 12.589 10.954 ( -18.718 -3.316 0.000) 19.009 11.334 ( 3.803 3.896 0.000) 5.444 11.407 ( -3.237 3.128 0.000) 4.501 11.567 ( 8.656 -4.129 0.000) 9.591 11.746 ( -8.490 -5.968 0.000) 10.378 12.346 ( 2.664 22.926 0.000) 23.080 12.405 ( -3.232 20.140 0.000) 20.398 13.005 ( 3.808 8.635 0.000) 9.437 13.053 ( -0.293 1.276 0.000) 1.309 13.281 ( -1.018 15.870 0.000) 15.903 13.366 ( -11.696 26.486 0.000) 28.954 13.993 ( 9.421 7.930 0.000) 12.314 14.203 ( -13.847 15.492 0.000) 20.779 14.354 ( 3.071 -9.685 0.000) 10.161 14.417 ( -3.878 -7.101 0.000) 8.091 15.124 ( 0.511 14.306 0.000) 14.315 15.145 ( -1.744 14.517 0.000) 14.622 15.414 ( 5.645 17.202 0.000) 18.104 15.540 ( -8.980 28.402 0.000) 29.787 16.384 ( 6.785 -34.569 0.000) 35.229 16.528 ( -7.441 -27.687 0.000) 28.669 16.831 ( 1.348 2.858 0.000) 3.160 16.855 ( -1.103 2.700 0.000) 2.917 18.413 ( 11.845 36.197 0.000) 38.086 18.704 ( -17.771 30.254 0.000) 35.087 20.405 ( 0.381 4.653 0.000) 4.668 20.426 ( -1.217 4.632 0.000) 4.789 20.904 ( 7.168 4.623 0.000) 8.529 21.038 ( -8.151 3.714 0.000) 8.957 23.152 ( 28.086 -0.675 0.000) 28.094 23.593 ( -14.548 -3.342 0.000) 14.927 24.201 ( 1.528 -1.938 0.000) 2.468 24.297 ( -6.004 -2.963 0.000) 6.695 25.555 ( 16.847 -24.261 0.000) 29.536 25.801 ( -10.179 -13.057 0.000) 16.556 26.538 ( 7.344 -21.884 0.000) 23.084 26.621 ( -1.818 -15.479 0.000) 15.585 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 30.054 0.000) 30.054 1.428 ( 0.000 31.372 0.000) 31.372 2.118 ( 0.000 6.966 0.000) 6.966 2.142 ( 0.000 9.200 0.000) 9.200 2.229 ( 0.000 -1.995 0.000) 1.995 2.294 ( 0.000 10.905 0.000) 10.905 2.359 ( 0.000 -6.959 0.000) 6.959 2.488 ( 0.000 -7.559 0.000) 7.559 2.535 ( 0.000 33.893 0.000) 33.893 2.886 ( 0.000 10.446 0.000) 10.446 2.908 ( 0.000 -5.268 0.000) 5.268 2.999 ( 0.000 6.145 0.000) 6.145 3.319 ( 0.000 12.501 0.000) 12.501 3.423 ( 0.000 4.573 0.000) 4.573 3.567 ( 0.000 14.674 0.000) 14.674 3.926 ( 0.000 17.421 0.000) 17.421 4.085 ( 0.000 2.186 0.000) 2.186 4.108 ( 0.000 15.367 0.000) 15.367 4.493 ( 0.000 18.298 0.000) 18.298 4.545 ( 0.000 13.265 0.000) 13.265 4.693 ( 0.000 20.675 0.000) 20.675 4.766 ( 0.000 20.502 0.000) 20.502 4.991 ( 0.000 9.474 0.000) 9.474 5.053 ( 0.000 32.876 0.000) 32.876 5.361 ( 0.000 5.222 0.000) 5.222 5.444 ( 0.000 22.906 0.000) 22.906 5.551 ( 0.000 -2.429 0.000) 2.429 5.902 ( 0.000 1.133 0.000) 1.133 6.233 ( 0.000 -0.278 0.000) 0.278 6.622 ( 0.000 36.235 0.000) 36.235 6.622 ( 0.000 30.659 0.000) 30.659 6.730 ( 0.000 -7.149 0.000) 7.149 6.758 ( 0.000 24.906 0.000) 24.906 6.790 ( 0.000 -10.174 0.000) 10.174 6.957 ( 0.000 -21.624 0.000) 21.624 7.062 ( 0.000 28.470 0.000) 28.470 7.178 ( 0.000 2.531 0.000) 2.531 7.513 ( 0.000 -23.176 0.000) 23.176 7.606 ( 0.000 4.199 0.000) 4.199 7.827 ( 0.000 2.670 0.000) 2.670 8.144 ( 0.000 0.299 0.000) 0.299 8.218 ( 0.000 19.937 0.000) 19.937 8.243 ( 0.000 -10.678 0.000) 10.678 8.282 ( 0.000 2.537 0.000) 2.537 8.486 ( 0.000 -1.626 0.000) 1.626 8.519 ( 0.000 -0.297 0.000) 0.297 8.688 ( 0.000 1.395 0.000) 1.395 8.747 ( 0.000 19.144 0.000) 19.144 8.847 ( 0.000 17.071 0.000) 17.071 9.017 ( 0.000 13.314 0.000) 13.314 9.185 ( 0.000 11.479 0.000) 11.479 9.242 ( 0.000 12.166 0.000) 12.166 9.360 ( 0.000 20.641 0.000) 20.641 9.543 ( 0.000 13.798 0.000) 13.798 9.790 ( 0.000 32.043 0.000) 32.043 10.181 ( 0.000 11.678 0.000) 11.678 10.310 ( 0.000 7.216 0.000) 7.216 10.450 ( 0.000 7.300 0.000) 7.300 10.734 ( 0.000 -6.623 0.000) 6.623 11.375 ( 0.000 -0.683 0.000) 0.683 11.398 ( 0.000 -9.843 0.000) 9.843 11.577 ( 0.000 8.604 0.000) 8.604 11.624 ( 0.000 9.895 0.000) 9.895 11.643 ( 0.000 -6.442 0.000) 6.442 12.841 ( 0.000 26.560 0.000) 26.560 12.903 ( 0.000 22.785 0.000) 22.785 12.995 ( 0.000 -0.844 0.000) 0.844 13.027 ( 0.000 2.249 0.000) 2.249 13.556 ( 0.000 -3.601 0.000) 3.601 13.776 ( 0.000 -5.176 0.000) 5.176 13.947 ( 0.000 18.759 0.000) 18.759 14.098 ( 0.000 -15.505 0.000) 15.505 14.123 ( 0.000 -6.360 0.000) 6.360 15.071 ( 0.000 2.113 0.000) 2.113 15.360 ( 0.000 5.851 0.000) 5.851 15.416 ( 0.000 3.274 0.000) 3.274 15.561 ( 0.000 -14.067 0.000) 14.067 15.877 ( 0.000 47.399 0.000) 47.399 16.319 ( 0.000 -13.176 0.000) 13.176 16.901 ( 0.000 5.457 0.000) 5.457 16.931 ( 0.000 2.994 0.000) 2.994 18.909 ( 0.000 32.984 0.000) 32.984 19.558 ( 0.000 14.795 0.000) 14.795 20.002 ( 0.000 9.863 0.000) 9.863 20.574 ( 0.000 8.654 0.000) 8.654 20.635 ( 0.000 -0.853 0.000) 0.853 20.827 ( 0.000 -2.762 0.000) 2.762 21.501 ( 0.000 -0.793 0.000) 0.793 22.073 ( 0.000 5.787 0.000) 5.787 22.334 ( 0.000 8.796 0.000) 8.796 23.613 ( 0.000 -3.843 0.000) 3.843 24.346 ( 0.000 -4.743 0.000) 4.743 24.460 ( 0.000 3.143 0.000) 3.143 25.766 ( 0.000 -16.234 0.000) 16.234 26.033 ( 0.000 -8.289 0.000) 8.289 26.370 ( 0.000 -15.774 0.000) 15.774 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -16.400 34.000 0.000) 37.749 1.506 ( 7.694 25.722 0.000) 26.849 2.029 ( -23.743 -4.298 0.000) 24.129 2.100 ( -7.183 4.691 0.000) 8.579 2.135 ( 0.897 5.930 0.000) 5.997 2.203 ( 2.396 3.325 0.000) 4.098 2.415 ( 7.637 4.456 0.000) 8.842 2.614 ( 5.011 25.262 0.000) 25.755 2.632 ( 6.388 -5.677 0.000) 8.546 2.881 ( -3.160 -1.609 0.000) 3.545 2.887 ( 0.947 12.348 0.000) 12.385 2.973 ( -1.873 4.074 0.000) 4.484 3.360 ( 3.701 12.882 0.000) 13.403 3.391 ( 2.766 14.476 0.000) 14.738 3.746 ( 10.180 10.358 0.000) 14.523 3.877 ( -3.971 13.294 0.000) 13.874 4.022 ( -4.856 1.842 0.000) 5.193 4.130 ( 1.378 14.949 0.000) 15.012 4.417 ( -5.777 12.320 0.000) 13.608 4.586 ( 3.001 15.968 0.000) 16.248 4.625 ( -7.363 18.155 0.000) 19.591 4.762 ( 0.448 24.012 0.000) 24.016 4.922 ( -5.598 12.409 0.000) 13.613 4.962 ( -7.531 31.390 0.000) 32.281 5.426 ( 5.173 8.017 0.000) 9.541 5.466 ( 2.405 23.165 0.000) 23.289 5.588 ( 2.884 -3.387 0.000) 4.448 5.869 ( -3.577 0.781 0.000) 3.661 6.300 ( 5.889 1.265 0.000) 6.024 6.577 ( -3.855 16.879 0.000) 17.314 6.610 ( -0.910 33.929 0.000) 33.941 6.661 ( -2.645 7.435 0.000) 7.891 6.753 ( 0.034 25.239 0.000) 25.239 6.935 ( 8.770 -8.595 0.000) 12.280 6.976 ( 1.882 -21.434 0.000) 21.516 7.033 ( -3.043 28.843 0.000) 29.004 7.191 ( 1.017 2.438 0.000) 2.642 7.360 ( -10.882 -18.977 0.000) 21.875 7.687 ( 5.813 0.789 0.000) 5.866 7.872 ( 3.864 0.887 0.000) 3.965 8.083 ( -1.724 -5.386 0.000) 5.655 8.205 ( -2.158 14.329 0.000) 14.491 8.284 ( 1.247 5.492 0.000) 5.631 8.373 ( 6.262 -3.256 0.000) 7.058 8.472 ( -1.555 3.737 0.000) 4.047 8.546 ( 2.366 -3.344 0.000) 4.097 8.617 ( -6.667 13.162 0.000) 14.754 8.662 ( -2.407 1.836 0.000) 3.027 8.999 ( 9.338 20.888 0.000) 22.880 9.058 ( 4.810 13.436 0.000) 14.270 9.207 ( 1.968 12.832 0.000) 12.982 9.249 ( 0.742 12.990 0.000) 13.011 9.346 ( -1.336 21.160 0.000) 21.203 9.502 ( -3.736 13.986 0.000) 14.477 9.782 ( -0.643 31.258 0.000) 31.265 10.121 ( -6.742 12.902 0.000) 14.557 10.330 ( 2.259 5.473 0.000) 5.921 10.421 ( -2.565 7.683 0.000) 8.099 10.704 ( -2.945 -2.851 0.000) 4.099 11.178 ( -16.597 -8.419 0.000) 18.610 11.412 ( 3.495 -1.022 0.000) 3.641 11.534 ( -3.109 11.263 0.000) 11.684 11.585 ( -2.285 7.660 0.000) 7.993 11.723 ( 1.571 -3.913 0.000) 4.217 12.841 ( -0.123 25.075 0.000) 25.075 12.851 ( -2.955 16.628 0.000) 16.889 13.044 ( 1.625 2.851 0.000) 3.282 13.048 ( 3.258 5.614 0.000) 6.491 13.515 ( -2.679 0.367 0.000) 2.704 13.710 ( -6.182 -3.438 0.000) 7.074 14.045 ( 8.556 13.129 0.000) 15.671 14.107 ( 0.559 -15.330 0.000) 15.340 14.120 ( -0.170 -6.126 0.000) 6.128 14.927 ( -14.502 3.310 0.000) 14.875 15.370 ( 0.829 6.583 0.000) 6.635 15.413 ( -0.333 5.049 0.000) 5.060 15.629 ( 6.763 -14.352 0.000) 15.865 15.945 ( 6.989 48.882 0.000) 49.379 16.247 ( -7.283 -13.350 0.000) 15.208 16.905 ( 0.301 5.014 0.000) 5.023 16.930 ( -0.102 3.309 0.000) 3.310 18.114 (-107.322 66.145 0.000) 126.068 18.958 ( 4.807 32.547 0.000) 32.900 19.479 ( -10.165 16.733 0.000) 19.578 20.573 ( -0.405 8.276 0.000) 8.286 20.602 ( -5.998 10.605 0.000) 12.184 20.859 ( 11.139 7.880 0.000) 13.644 21.324 ( -12.227 3.203 0.000) 12.640 22.635 ( 24.609 4.227 0.000) 24.969 23.400 ( 39.031 -28.663 0.000) 48.425 23.774 ( 30.885 -18.364 0.000) 35.932 24.310 ( -3.624 -5.121 0.000) 6.274 24.457 ( 5.444 0.104 0.000) 5.445 25.685 ( -8.186 -17.241 0.000) 19.086 26.073 ( 3.934 -10.550 0.000) 11.260 26.349 ( -2.205 -16.601 0.000) 16.747 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 8.463 21.281 0.000) 22.902 1.471 ( -26.238 2.371 0.000) 26.345 1.721 ( 9.187 16.997 0.000) 19.321 1.928 ( -10.326 9.690 0.000) 14.161 2.178 ( 2.926 6.703 0.000) 7.313 2.222 ( -0.821 3.784 0.000) 3.872 2.586 ( 9.620 2.662 0.000) 9.982 2.668 ( 1.781 8.503 0.000) 8.688 2.695 ( 0.059 -0.843 0.000) 0.845 2.767 ( -8.253 2.422 0.000) 8.601 2.942 ( 3.207 10.342 0.000) 10.828 2.963 ( 0.548 2.606 0.000) 2.663 3.439 ( 3.791 15.612 0.000) 16.065 3.469 ( 1.890 17.468 0.000) 17.570 3.802 ( -2.849 9.473 0.000) 9.892 3.807 ( -2.701 9.729 0.000) 10.097 4.035 ( 6.754 7.285 0.000) 9.934 4.135 ( -1.676 12.973 0.000) 13.081 4.340 ( -0.642 7.721 0.000) 7.748 4.434 ( -9.917 9.725 0.000) 13.890 4.658 ( 4.685 19.503 0.000) 20.058 4.779 ( -7.735 24.629 0.000) 25.815 4.796 ( 2.766 26.309 0.000) 26.454 4.857 ( -3.504 23.787 0.000) 24.044 5.516 ( 3.325 12.505 0.000) 12.939 5.527 ( 2.530 21.136 0.000) 21.287 5.648 ( 4.041 -3.380 0.000) 5.268 5.764 ( -6.755 1.543 0.000) 6.929 6.419 ( 5.479 2.701 0.000) 6.109 6.504 ( -3.638 7.694 0.000) 8.510 6.602 ( 0.292 27.864 0.000) 27.865 6.622 ( -1.603 18.931 0.000) 18.999 6.789 ( 4.273 26.954 0.000) 27.290 6.916 ( -7.510 30.955 0.000) 31.853 7.026 ( 3.043 -20.135 0.000) 20.364 7.064 ( 1.440 -12.943 0.000) 13.023 7.202 ( -0.197 -1.509 0.000) 1.521 7.204 ( -2.895 -15.629 0.000) 15.895 7.828 ( 8.017 3.077 0.000) 8.587 7.925 ( -0.291 -1.381 0.000) 1.412 8.083 ( 1.304 -3.950 0.000) 4.160 8.139 ( -4.167 8.184 0.000) 9.183 8.317 ( 2.207 7.004 0.000) 7.344 8.384 ( -3.792 10.488 0.000) 11.152 8.480 ( 3.061 4.452 0.000) 5.403 8.545 ( -2.381 -0.560 0.000) 2.446 8.581 ( 1.265 -2.016 0.000) 2.380 8.611 ( -2.227 1.694 0.000) 2.799 9.159 ( 6.573 22.724 0.000) 23.656 9.201 ( 7.403 12.597 0.000) 14.612 9.239 ( 0.634 17.783 0.000) 17.794 9.266 ( 0.514 14.084 0.000) 14.093 9.321 ( 0.172 20.729 0.000) 20.730 9.411 ( -5.718 14.845 0.000) 15.908 9.787 ( 2.433 28.066 0.000) 28.171 9.928 ( -11.251 19.992 0.000) 22.941 10.368 ( 0.555 5.187 0.000) 5.217 10.376 ( -1.380 7.882 0.000) 8.001 10.682 ( 3.548 1.247 0.000) 3.761 10.865 ( -14.017 -4.637 0.000) 14.764 11.473 ( 2.039 4.559 0.000) 4.995 11.528 ( -3.337 7.000 0.000) 7.755 11.545 ( 5.418 5.125 0.000) 7.458 11.671 ( -5.916 -0.942 0.000) 5.990 12.821 ( -0.124 17.489 0.000) 17.490 12.832 ( -0.773 21.390 0.000) 21.404 13.079 ( 1.538 4.322 0.000) 4.588 13.089 ( 0.747 5.954 0.000) 6.001 13.496 ( 1.259 2.809 0.000) 3.078 13.574 ( -6.483 0.851 0.000) 6.538 14.112 ( -0.074 -12.028 0.000) 12.028 14.112 ( -0.001 -14.182 0.000) 14.182 14.259 ( 12.978 13.127 0.000) 18.459 14.571 ( -19.001 9.805 0.000) 21.382 15.388 ( 0.879 7.283 0.000) 7.336 15.403 ( -0.685 6.870 0.000) 6.904 15.811 ( 11.422 -13.089 0.000) 17.372 16.050 ( -12.189 -13.166 0.000) 17.942 16.161 ( 16.113 54.996 0.000) 57.308 16.674 ( -41.528 68.530 0.000) 80.131 16.922 ( -0.544 7.421 0.000) 7.441 16.926 ( -0.314 4.157 0.000) 4.169 19.087 ( 8.164 30.376 0.000) 31.454 19.270 ( -10.489 24.960 0.000) 27.074 20.540 ( -0.944 8.873 0.000) 8.923 20.551 ( -1.516 7.849 0.000) 7.995 21.031 ( 6.534 7.854 0.000) 10.216 21.143 ( -6.305 6.591 0.000) 9.121 23.133 ( 24.102 -1.273 0.000) 24.136 23.488 ( -10.103 -7.423 0.000) 12.537 24.121 ( 3.459 -7.523 0.000) 8.280 24.213 ( -5.746 -5.615 0.000) 8.034 24.971 ( 32.333 -28.337 0.000) 42.993 25.443 ( -17.237 -21.777 0.000) 27.774 26.174 ( 5.843 -15.212 0.000) 16.296 26.281 ( -4.743 -17.444 0.000) 18.077 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 10.186 0.000) 10.186 1.904 ( 0.000 17.914 0.000) 17.914 2.179 ( 0.000 -2.188 0.000) 2.188 2.199 ( 0.000 -1.543 0.000) 1.543 2.256 ( 0.000 7.238 0.000) 7.238 2.261 ( 0.000 -2.701 0.000) 2.701 2.424 ( 0.000 3.994 0.000) 3.994 2.486 ( 0.000 9.415 0.000) 9.415 2.827 ( 0.000 -3.196 0.000) 3.196 3.135 ( 0.000 23.625 0.000) 23.625 3.144 ( 0.000 15.638 0.000) 15.638 3.146 ( 0.000 9.350 0.000) 9.350 3.564 ( 0.000 10.505 0.000) 10.505 3.676 ( 0.000 22.206 0.000) 22.206 3.725 ( 0.000 1.348 0.000) 1.348 4.299 ( 0.000 18.300 0.000) 18.300 4.301 ( 0.000 20.615 0.000) 20.615 4.419 ( 0.000 15.589 0.000) 15.589 4.738 ( 0.000 12.609 0.000) 12.609 4.749 ( 0.000 8.373 0.000) 8.373 5.011 ( 0.000 12.285 0.000) 12.285 5.121 ( 0.000 7.935 0.000) 7.935 5.419 ( 0.000 36.795 0.000) 36.795 5.425 ( 0.000 1.363 0.000) 1.363 5.503 ( 0.000 -2.855 0.000) 2.855 5.702 ( 0.000 21.392 0.000) 21.392 5.732 ( 0.000 -11.070 0.000) 11.070 5.942 ( 0.000 25.402 0.000) 25.402 6.481 ( 0.000 -16.357 0.000) 16.357 6.539 ( 0.000 -14.239 0.000) 14.239 6.564 ( 0.000 24.592 0.000) 24.592 6.598 ( 0.000 -8.729 0.000) 8.729 6.939 ( 0.000 -20.532 0.000) 20.532 6.944 ( 0.000 0.858 0.000) 0.858 7.065 ( 0.000 14.460 0.000) 14.460 7.263 ( 0.000 25.880 0.000) 25.880 7.493 ( 0.000 20.806 0.000) 20.806 7.774 ( 0.000 24.567 0.000) 24.567 7.853 ( 0.000 14.222 0.000) 14.222 7.911 ( 0.000 5.650 0.000) 5.650 8.080 ( 0.000 -2.776 0.000) 2.776 8.210 ( 0.000 9.925 0.000) 9.925 8.234 ( 0.000 -7.532 0.000) 7.532 8.445 ( 0.000 0.597 0.000) 0.597 8.646 ( 0.000 13.727 0.000) 13.727 8.663 ( 0.000 22.085 0.000) 22.085 8.698 ( 0.000 1.021 0.000) 1.021 9.157 ( 0.000 21.178 0.000) 21.178 9.216 ( 0.000 19.616 0.000) 19.616 9.262 ( 0.000 12.260 0.000) 12.260 9.416 ( 0.000 12.435 0.000) 12.435 9.493 ( 0.000 12.411 0.000) 12.411 9.776 ( 0.000 20.336 0.000) 20.336 9.837 ( 0.000 16.982 0.000) 16.982 10.366 ( 0.000 25.995 0.000) 25.995 10.387 ( 0.000 8.528 0.000) 8.528 10.525 ( 0.000 14.457 0.000) 14.457 10.610 ( 0.000 8.779 0.000) 8.779 10.621 ( 0.000 -5.076 0.000) 5.076 11.220 ( 0.000 -7.975 0.000) 7.975 11.358 ( 0.000 -0.764 0.000) 0.764 11.534 ( 0.000 -4.323 0.000) 4.323 11.685 ( 0.000 1.332 0.000) 1.332 11.783 ( 0.000 4.416 0.000) 4.416 12.957 ( 0.000 -2.208 0.000) 2.208 13.130 ( 0.000 8.312 0.000) 8.312 13.193 ( 0.000 6.882 0.000) 6.882 13.228 ( 0.000 2.737 0.000) 2.737 13.558 ( 0.000 10.669 0.000) 10.669 13.738 ( 0.000 3.802 0.000) 3.802 13.821 ( 0.000 -11.563 0.000) 11.563 13.991 ( 0.000 -0.792 0.000) 0.792 14.286 ( 0.000 12.854 0.000) 12.854 15.072 ( 0.000 -12.222 0.000) 12.222 15.146 ( 0.000 5.768 0.000) 5.768 15.393 ( 0.000 -2.484 0.000) 2.484 15.901 ( 0.000 22.156 0.000) 22.156 16.311 ( 0.000 11.395 0.000) 11.395 16.853 ( 0.000 24.254 0.000) 24.254 16.983 ( 0.000 2.803 0.000) 2.803 17.112 ( 0.000 37.306 0.000) 37.306 19.454 ( 0.000 22.077 0.000) 22.077 19.764 ( 0.000 7.552 0.000) 7.552 20.238 ( 0.000 12.477 0.000) 12.477 20.484 ( 0.000 -11.249 0.000) 11.249 20.750 ( 0.000 8.854 0.000) 8.854 20.885 ( 0.000 5.436 0.000) 5.436 21.480 ( 0.000 -1.413 0.000) 1.413 22.217 ( 0.000 8.583 0.000) 8.583 22.542 ( 0.000 12.018 0.000) 12.018 23.506 ( 0.000 -7.037 0.000) 7.037 24.237 ( 0.000 -6.386 0.000) 6.386 24.537 ( 0.000 4.687 0.000) 4.687 25.429 ( 0.000 -17.115 0.000) 17.115 25.853 ( 0.000 -9.825 0.000) 9.825 26.029 ( 0.000 -18.268 0.000) 18.268 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -12.755 16.674 0.000) 20.993 1.880 ( -6.371 8.498 0.000) 10.621 2.036 ( -8.672 8.314 0.000) 12.014 2.182 ( -3.135 2.807 0.000) 4.209 2.220 ( 0.868 2.112 0.000) 2.283 2.257 ( 1.153 4.110 0.000) 4.269 2.535 ( 6.607 -1.917 0.000) 6.880 2.544 ( 4.839 7.551 0.000) 8.968 2.848 ( 1.757 -1.693 0.000) 2.440 2.968 ( -9.590 14.643 0.000) 17.504 3.109 ( -3.426 9.526 0.000) 10.123 3.145 ( -0.616 12.843 0.000) 12.858 3.695 ( 4.251 11.434 0.000) 12.199 3.720 ( 4.267 22.361 0.000) 22.764 3.891 ( 17.754 6.964 0.000) 19.071 4.171 ( -9.933 16.070 0.000) 18.892 4.229 ( -6.274 17.818 0.000) 18.890 4.434 ( 0.026 15.396 0.000) 15.396 4.612 ( -8.309 10.854 0.000) 13.669 4.826 ( 4.276 10.688 0.000) 11.511 4.841 ( -13.284 7.890 0.000) 15.450 5.134 ( -1.633 11.105 0.000) 11.224 5.436 ( 1.822 33.753 0.000) 33.802 5.491 ( 4.026 4.264 0.000) 5.864 5.529 ( 2.046 -0.934 0.000) 2.249 5.634 ( -4.546 14.205 0.000) 14.915 5.816 ( 7.519 2.634 0.000) 7.967 5.965 ( 2.224 25.421 0.000) 25.518 6.452 ( 0.070 -12.177 0.000) 12.177 6.573 ( -0.655 10.715 0.000) 10.735 6.609 ( 1.415 0.249 0.000) 1.437 6.653 ( 6.787 -16.206 0.000) 17.570 6.826 ( -7.159 -11.628 0.000) 13.655 6.914 ( -2.559 0.396 0.000) 2.590 7.159 ( 6.802 10.704 0.000) 12.682 7.245 ( -1.008 24.708 0.000) 24.729 7.497 ( -0.111 19.635 0.000) 19.635 7.651 ( -10.225 22.877 0.000) 25.058 7.889 ( 2.575 7.820 0.000) 8.233 7.928 ( 1.320 5.026 0.000) 5.196 8.106 ( 3.517 13.309 0.000) 13.765 8.239 ( 1.236 -6.196 0.000) 6.318 8.271 ( 4.053 -1.484 0.000) 4.316 8.466 ( 1.464 2.252 0.000) 2.686 8.576 ( -5.394 14.425 0.000) 15.400 8.676 ( -2.415 0.721 0.000) 2.520 8.715 ( 3.275 19.256 0.000) 19.532 8.965 ( -9.014 19.488 0.000) 21.471 9.287 ( 3.603 11.018 0.000) 11.593 9.451 ( 12.640 23.675 0.000) 26.838 9.472 ( 4.858 14.122 0.000) 14.935 9.510 ( 2.011 12.399 0.000) 12.561 9.758 ( -1.761 19.297 0.000) 19.378 9.780 ( -5.330 15.014 0.000) 15.932 10.330 ( -5.530 7.574 0.000) 9.377 10.342 ( -2.603 25.511 0.000) 25.643 10.509 ( -0.856 13.270 0.000) 13.298 10.588 ( -2.082 9.199 0.000) 9.432 10.652 ( 2.575 -1.460 0.000) 2.960 11.037 ( -13.605 -5.500 0.000) 14.675 11.393 ( 3.370 -0.899 0.000) 3.488 11.587 ( 1.425 -4.016 0.000) 4.261 11.676 ( -0.516 2.377 0.000) 2.433 11.773 ( -0.967 3.678 0.000) 3.803 12.957 ( 0.442 0.270 0.000) 0.518 13.107 ( -2.084 7.932 0.000) 8.201 13.204 ( 0.803 4.900 0.000) 4.966 13.227 ( -0.201 0.379 0.000) 0.429 13.568 ( 1.123 12.080 0.000) 12.132 13.705 ( -2.781 5.910 0.000) 6.531 13.835 ( 1.120 -10.916 0.000) 10.974 13.967 ( -2.355 -2.391 0.000) 3.356 14.335 ( 5.079 12.266 0.000) 13.276 15.016 ( -12.218 6.245 0.000) 13.721 15.128 ( 5.271 -11.758 0.000) 12.886 15.393 ( -0.650 -3.399 0.000) 3.461 15.928 ( 2.729 22.073 0.000) 22.241 16.259 ( -5.031 12.938 0.000) 13.882 16.890 ( 3.192 16.133 0.000) 16.445 16.980 ( -0.244 2.651 0.000) 2.663 17.165 ( 6.113 45.559 0.000) 45.967 19.036 ( -68.043 32.532 0.000) 75.420 19.492 ( 3.610 21.489 0.000) 21.790 19.731 ( -3.472 9.785 0.000) 10.383 20.744 ( -0.754 8.804 0.000) 8.836 20.787 ( -2.025 7.175 0.000) 7.456 21.004 ( 13.006 6.042 0.000) 14.341 21.384 ( -7.089 2.471 0.000) 7.508 22.744 ( 17.591 6.845 0.000) 18.876 22.890 ( 45.048 -18.266 0.000) 48.610 23.557 ( 6.858 -9.221 0.000) 11.492 24.190 ( -4.607 -7.115 0.000) 8.476 24.511 ( -1.114 4.344 0.000) 4.485 25.330 ( -10.258 -17.799 0.000) 20.543 25.866 ( 1.323 -10.665 0.000) 10.747 26.007 ( -2.086 -17.638 0.000) 17.761 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -4.517 19.610 0.000) 20.123 1.619 ( -13.279 9.955 0.000) 16.596 2.024 ( 3.060 13.236 0.000) 13.585 2.100 ( -4.360 8.147 0.000) 9.240 2.261 ( 2.013 -0.062 0.000) 2.014 2.278 ( 0.391 2.432 0.000) 2.463 2.638 ( 3.484 -1.635 0.000) 3.849 2.639 ( 3.660 3.396 0.000) 4.993 2.848 ( -2.425 9.269 0.000) 9.581 2.861 ( -1.439 4.061 0.000) 4.308 3.059 ( 0.197 8.300 0.000) 8.303 3.109 ( -3.131 8.645 0.000) 9.195 3.771 ( 4.164 10.850 0.000) 11.622 3.810 ( 2.788 20.725 0.000) 20.912 4.014 ( -3.431 12.339 0.000) 12.807 4.081 ( -6.597 17.768 0.000) 18.953 4.232 ( 13.525 12.625 0.000) 18.502 4.403 ( -3.716 13.577 0.000) 14.076 4.484 ( -2.618 8.713 0.000) 9.097 4.578 ( -11.804 7.528 0.000) 14.001 4.920 ( 5.599 11.299 0.000) 12.610 5.043 ( -6.539 11.057 0.000) 12.846 5.483 ( 2.725 28.255 0.000) 28.386 5.526 ( -0.851 23.589 0.000) 23.605 5.564 ( 1.217 0.832 0.000) 1.474 5.577 ( -0.945 -0.479 0.000) 1.059 5.968 ( 6.075 15.374 0.000) 16.531 6.010 ( 1.322 23.614 0.000) 23.651 6.484 ( 2.619 -4.911 0.000) 5.566 6.538 ( -2.624 3.131 0.000) 4.085 6.623 ( 0.418 -5.762 0.000) 5.777 6.662 ( -3.869 -15.914 0.000) 16.377 6.803 ( 3.344 -3.942 0.000) 5.169 6.861 ( -2.751 -1.542 0.000) 3.154 7.263 ( 3.428 22.856 0.000) 23.112 7.297 ( 5.149 16.166 0.000) 16.966 7.455 ( -7.120 19.468 0.000) 20.729 7.467 ( -3.179 17.065 0.000) 17.358 7.935 ( 1.715 4.099 0.000) 4.444 7.947 ( 0.411 3.942 0.000) 3.963 8.216 ( 7.075 16.170 0.000) 17.650 8.276 ( 1.488 -5.899 0.000) 6.084 8.324 ( 1.508 -4.161 0.000) 4.426 8.418 ( -7.980 17.950 0.000) 19.644 8.524 ( 2.799 0.627 0.000) 2.869 8.604 ( -4.547 1.159 0.000) 4.693 8.775 ( 2.736 18.254 0.000) 18.458 8.837 ( -4.319 19.003 0.000) 19.488 9.422 ( 9.482 10.465 0.000) 14.122 9.542 ( 1.087 14.817 0.000) 14.857 9.564 ( 3.214 15.214 0.000) 15.550 9.615 ( -3.223 16.042 0.000) 16.362 9.689 ( 1.656 18.073 0.000) 18.148 9.720 ( -1.445 18.598 0.000) 18.655 10.222 ( -2.999 11.508 0.000) 11.892 10.261 ( -5.090 21.189 0.000) 21.792 10.509 ( 0.910 10.785 0.000) 10.823 10.542 ( -2.267 9.754 0.000) 10.014 10.707 ( 3.297 2.272 0.000) 4.004 10.811 ( -8.309 -0.348 0.000) 8.317 11.474 ( 4.512 -1.368 0.000) 4.714 11.557 ( -3.630 -2.284 0.000) 4.288 11.684 ( 1.742 3.676 0.000) 4.068 11.736 ( -2.854 3.312 0.000) 4.372 12.989 ( 2.822 3.886 0.000) 4.803 13.053 ( -3.338 6.415 0.000) 7.231 13.215 ( 0.291 0.838 0.000) 0.887 13.220 ( -0.369 -1.289 0.000) 1.341 13.601 ( 2.132 13.283 0.000) 13.453 13.649 ( -2.775 11.090 0.000) 11.432 13.863 ( 1.867 -9.328 0.000) 9.513 13.911 ( -2.972 -5.834 0.000) 6.547 14.484 ( 10.258 10.748 0.000) 14.858 14.734 ( -14.924 8.586 0.000) 17.217 15.250 ( 6.373 -10.058 0.000) 11.907 15.352 ( -3.751 -6.633 0.000) 7.620 16.008 ( 5.485 20.788 0.000) 21.499 16.134 ( -7.078 17.008 0.000) 18.422 16.945 ( 2.070 4.757 0.000) 5.188 16.971 ( -0.770 2.518 0.000) 2.633 17.396 ( 18.839 56.739 0.000) 59.785 17.959 ( -40.926 54.139 0.000) 67.867 19.576 ( 4.458 19.180 0.000) 19.691 19.657 ( -3.971 14.770 0.000) 15.295 20.723 ( -0.813 9.327 0.000) 9.363 20.734 ( -2.030 10.046 0.000) 10.249 21.188 ( 6.201 7.280 0.000) 9.563 21.276 ( -4.009 6.287 0.000) 7.456 23.104 ( 16.729 -1.577 0.000) 16.803 23.302 ( -0.814 -11.161 0.000) 11.191 23.864 ( 16.600 -17.227 0.000) 23.923 24.069 ( -7.527 -9.401 0.000) 12.044 24.628 ( 16.415 -6.573 0.000) 17.682 25.031 ( -20.013 -17.924 0.000) 26.866 25.903 ( 2.406 -12.879 0.000) 13.101 25.956 ( -2.898 -15.622 0.000) 15.889 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 -2.983 0.000) 2.983 2.080 ( 0.000 0.744 0.000) 0.744 2.093 ( 0.000 -6.026 0.000) 6.026 2.116 ( 0.000 -4.828 0.000) 4.828 2.301 ( 0.000 6.463 0.000) 6.463 2.419 ( 0.000 5.484 0.000) 5.484 2.583 ( 0.000 8.698 0.000) 8.698 2.615 ( 0.000 2.453 0.000) 2.453 2.793 ( 0.000 1.491 0.000) 1.491 3.379 ( 0.000 13.917 0.000) 13.917 3.465 ( 0.000 15.699 0.000) 15.699 3.499 ( 0.000 14.962 0.000) 14.962 3.765 ( 0.000 4.985 0.000) 4.985 3.870 ( 0.000 20.593 0.000) 20.593 4.113 ( 0.000 20.708 0.000) 20.708 4.636 ( 0.000 14.286 0.000) 14.286 4.682 ( 0.000 10.263 0.000) 10.263 4.728 ( 0.000 22.122 0.000) 22.122 4.887 ( 0.000 5.352 0.000) 5.352 5.047 ( 0.000 17.439 0.000) 17.439 5.197 ( 0.000 6.235 0.000) 6.235 5.272 ( 0.000 5.914 0.000) 5.914 5.409 ( 0.000 -7.998 0.000) 7.998 5.438 ( 0.000 0.581 0.000) 0.581 5.592 ( 0.000 -2.468 0.000) 2.468 5.695 ( 0.000 -14.017 0.000) 14.017 5.955 ( 0.000 8.907 0.000) 8.907 6.189 ( 0.000 -9.232 0.000) 9.232 6.337 ( 0.000 0.876 0.000) 0.876 6.395 ( 0.000 20.045 0.000) 20.045 6.592 ( 0.000 -15.142 0.000) 15.142 6.786 ( 0.000 20.665 0.000) 20.665 6.819 ( 0.000 1.390 0.000) 1.390 7.177 ( 0.000 22.313 0.000) 22.313 7.292 ( 0.000 9.621 0.000) 9.621 7.619 ( 0.000 11.049 0.000) 11.049 7.793 ( 0.000 9.986 0.000) 9.986 7.903 ( 0.000 -1.683 0.000) 1.683 7.978 ( 0.000 2.454 0.000) 2.454 8.003 ( 0.000 -1.374 0.000) 1.374 8.069 ( 0.000 -3.354 0.000) 3.354 8.318 ( 0.000 16.359 0.000) 16.359 8.418 ( 0.000 -3.298 0.000) 3.298 8.451 ( 0.000 5.439 0.000) 5.439 8.842 ( 0.000 16.964 0.000) 16.964 8.998 ( 0.000 20.318 0.000) 20.318 9.131 ( 0.000 23.384 0.000) 23.384 9.506 ( 0.000 12.313 0.000) 12.313 9.532 ( 0.000 16.063 0.000) 16.063 9.602 ( 0.000 19.231 0.000) 19.231 9.677 ( 0.000 13.995 0.000) 13.995 9.708 ( 0.000 9.317 0.000) 9.317 10.100 ( 0.000 11.599 0.000) 11.599 10.210 ( 0.000 19.941 0.000) 19.941 10.522 ( 0.000 -5.233 0.000) 5.233 10.534 ( 0.000 6.697 0.000) 6.697 10.776 ( 0.000 12.806 0.000) 12.806 10.797 ( 0.000 9.685 0.000) 9.685 10.819 ( 0.000 14.065 0.000) 14.065 11.116 ( 0.000 -0.310 0.000) 0.310 11.352 ( 0.000 0.006 0.000) 0.006 11.482 ( 0.000 -0.649 0.000) 0.649 11.619 ( 0.000 -7.518 0.000) 7.518 11.758 ( 0.000 -6.294 0.000) 6.294 12.899 ( 0.000 -4.522 0.000) 4.522 13.088 ( 0.000 -11.055 0.000) 11.055 13.163 ( 0.000 -6.442 0.000) 6.442 13.263 ( 0.000 0.305 0.000) 0.305 13.744 ( 0.000 7.867 0.000) 7.867 13.910 ( 0.000 20.074 0.000) 20.074 13.924 ( 0.000 13.061 0.000) 13.061 14.093 ( 0.000 11.117 0.000) 11.117 14.563 ( 0.000 16.154 0.000) 16.154 15.005 ( 0.000 4.106 0.000) 4.106 15.295 ( 0.000 8.778 0.000) 8.778 15.352 ( 0.000 -0.047 0.000) 0.047 16.312 ( 0.000 18.933 0.000) 18.933 16.613 ( 0.000 16.021 0.000) 16.021 16.960 ( 0.000 1.284 0.000) 1.284 17.019 ( 0.000 1.281 0.000) 1.281 18.114 ( 0.000 48.046 0.000) 48.046 19.771 ( 0.000 10.148 0.000) 10.148 19.886 ( 0.000 4.906 0.000) 4.906 20.260 ( 0.000 -10.834 0.000) 10.834 20.462 ( 0.000 10.343 0.000) 10.343 20.914 ( 0.000 7.798 0.000) 7.798 20.975 ( 0.000 3.043 0.000) 3.043 21.441 ( 0.000 -2.708 0.000) 2.708 22.395 ( 0.000 9.150 0.000) 9.150 22.793 ( 0.000 13.246 0.000) 13.246 23.339 ( 0.000 -9.783 0.000) 9.783 24.088 ( 0.000 -8.914 0.000) 8.914 24.645 ( 0.000 6.353 0.000) 6.353 25.123 ( 0.000 -13.305 0.000) 13.305 25.651 ( 0.000 -10.697 0.000) 10.697 25.670 ( 0.000 -17.949 0.000) 17.949 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -5.095 -0.794 0.000) 5.157 1.931 ( -9.523 0.345 0.000) 9.529 2.120 ( 2.453 -5.819 0.000) 6.315 2.189 ( 2.406 -0.865 0.000) 2.557 2.295 ( -0.465 5.206 0.000) 5.227 2.370 ( -4.033 6.645 0.000) 7.773 2.607 ( 2.371 6.605 0.000) 7.017 2.645 ( 2.494 1.341 0.000) 2.831 2.834 ( 4.024 2.299 0.000) 4.634 3.256 ( -12.668 15.073 0.000) 19.689 3.350 ( -2.767 14.477 0.000) 14.739 3.439 ( -6.227 17.477 0.000) 18.553 3.815 ( 6.228 5.706 0.000) 8.447 4.144 ( 18.067 15.493 0.000) 23.800 4.159 ( 4.543 20.606 0.000) 21.100 4.483 ( -15.331 14.391 0.000) 21.027 4.534 ( -7.248 11.318 0.000) 13.440 4.716 ( -2.277 13.342 0.000) 13.535 4.863 ( -6.371 12.535 0.000) 14.062 4.969 ( -14.162 4.626 0.000) 14.899 5.042 ( 2.108 11.754 0.000) 11.942 5.297 ( -2.546 4.044 0.000) 4.778 5.444 ( 3.319 -6.176 0.000) 7.011 5.559 ( -2.093 -8.627 0.000) 8.877 5.576 ( 9.452 5.340 0.000) 10.856 5.884 ( 15.555 -2.114 0.000) 15.698 5.935 ( -2.867 8.861 0.000) 9.314 6.205 ( 0.510 -3.956 0.000) 3.989 6.302 ( 1.974 -7.860 0.000) 8.104 6.501 ( 7.017 16.226 0.000) 17.678 6.669 ( -7.671 8.484 0.000) 11.437 6.701 ( 9.781 -0.864 0.000) 9.819 6.847 ( -0.809 10.754 0.000) 10.784 7.144 ( -4.129 20.966 0.000) 21.368 7.337 ( 4.670 8.036 0.000) 9.294 7.599 ( -1.319 12.266 0.000) 12.336 7.759 ( -2.839 7.316 0.000) 7.847 7.867 ( -4.332 0.286 0.000) 4.342 8.003 ( 2.096 4.275 0.000) 4.761 8.036 ( 2.048 1.479 0.000) 2.526 8.064 ( 0.049 -6.391 0.000) 6.391 8.214 ( -6.884 7.540 0.000) 10.210 8.450 ( 2.997 -2.846 0.000) 4.133 8.489 ( 1.832 4.573 0.000) 4.926 8.832 ( -0.768 19.574 0.000) 19.589 8.955 ( -4.012 20.914 0.000) 21.295 9.150 ( 1.182 22.578 0.000) 22.609 9.334 ( -8.743 17.157 0.000) 19.256 9.506 ( 1.671 11.018 0.000) 11.144 9.704 ( 0.854 7.112 0.000) 7.163 9.758 ( 6.508 14.878 0.000) 16.239 9.896 ( 16.091 21.009 0.000) 26.463 10.055 ( -3.849 10.419 0.000) 11.107 10.083 ( -10.639 14.024 0.000) 17.602 10.454 ( -2.900 6.748 0.000) 7.345 10.661 ( 6.437 2.483 0.000) 6.899 10.747 ( -2.432 11.429 0.000) 11.685 10.796 ( -1.290 13.865 0.000) 13.925 10.807 ( -0.113 14.106 0.000) 14.106 10.986 ( -9.809 2.270 0.000) 10.068 11.374 ( 2.132 -1.291 0.000) 2.493 11.518 ( 1.090 -2.421 0.000) 2.655 11.622 ( 0.427 -7.358 0.000) 7.370 11.739 ( -1.665 -6.951 0.000) 7.148 12.931 ( 3.292 -3.599 0.000) 4.878 13.081 ( -0.476 -10.654 0.000) 10.664 13.145 ( -1.642 -6.959 0.000) 7.150 13.229 ( -3.463 0.043 0.000) 3.463 13.769 ( 2.439 7.888 0.000) 8.256 13.901 ( -0.898 17.880 0.000) 17.902 13.929 ( 0.594 14.238 0.000) 14.250 14.067 ( -2.524 12.565 0.000) 12.816 14.603 ( 4.158 15.696 0.000) 16.238 15.055 ( 4.764 3.266 0.000) 5.776 15.173 ( -10.404 9.247 0.000) 13.920 15.349 ( -1.680 0.537 0.000) 1.763 16.339 ( 2.734 18.992 0.000) 19.188 16.582 ( -3.069 16.657 0.000) 16.937 16.970 ( 0.871 1.265 0.000) 1.536 17.016 ( -0.339 1.279 0.000) 1.323 18.183 ( 7.181 47.071 0.000) 47.615 19.503 ( -40.988 16.532 0.000) 44.196 19.798 ( 2.440 9.684 0.000) 9.986 19.887 ( -1.247 6.216 0.000) 6.340 20.872 ( 7.739 1.868 0.000) 7.961 20.911 ( -0.382 8.073 0.000) 8.082 21.081 ( 12.905 1.882 0.000) 13.041 21.407 ( -2.519 -0.307 0.000) 2.537 22.686 ( 25.354 -3.705 0.000) 25.623 22.898 ( 9.284 8.558 0.000) 12.627 23.363 ( 3.129 -10.532 0.000) 10.987 24.023 ( -6.575 -10.097 0.000) 12.049 24.617 ( -2.163 6.406 0.000) 6.762 25.026 ( -9.599 -12.275 0.000) 15.583 25.652 ( 0.081 -11.186 0.000) 11.186 25.667 ( -0.268 -16.861 0.000) 16.863 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -3.285 3.984 0.000) 5.163 1.768 ( -5.717 4.241 0.000) 7.119 2.173 ( 2.584 -4.207 0.000) 4.937 2.204 ( -0.480 -0.068 0.000) 0.485 2.288 ( -0.157 3.722 0.000) 3.726 2.303 ( -2.175 6.574 0.000) 6.924 2.662 ( 2.693 2.530 0.000) 3.695 2.684 ( 0.790 0.090 0.000) 0.795 2.936 ( 5.919 6.322 0.000) 8.660 3.061 ( -7.498 13.904 0.000) 15.796 3.295 ( -1.746 14.785 0.000) 14.888 3.323 ( -4.609 13.113 0.000) 13.900 3.965 ( 9.026 10.527 0.000) 13.866 4.170 ( -11.300 14.561 0.000) 18.432 4.301 ( 5.021 16.169 0.000) 16.931 4.388 ( -0.688 12.140 0.000) 12.160 4.488 ( 9.580 10.986 0.000) 14.576 4.652 ( -3.797 11.622 0.000) 12.226 4.701 ( -7.086 13.247 0.000) 15.023 4.718 ( -10.558 5.854 0.000) 12.073 5.106 ( 3.971 6.622 0.000) 7.722 5.203 ( -5.800 4.028 0.000) 7.061 5.514 ( 3.005 -3.201 0.000) 4.391 5.542 ( -0.184 -6.425 0.000) 6.428 5.728 ( 6.089 7.522 0.000) 9.678 5.841 ( -5.863 5.828 0.000) 8.267 6.157 ( 9.770 0.826 0.000) 9.805 6.227 ( 0.991 -2.631 0.000) 2.811 6.391 ( 5.924 -4.085 0.000) 7.196 6.519 ( -7.346 2.604 0.000) 7.794 6.669 ( 9.188 19.526 0.000) 21.580 6.797 ( -3.887 14.528 0.000) 15.038 6.867 ( 6.236 9.210 0.000) 11.123 7.007 ( -8.746 15.280 0.000) 17.606 7.479 ( 9.359 4.336 0.000) 10.315 7.597 ( 0.445 11.054 0.000) 11.063 7.681 ( -4.506 6.501 0.000) 7.910 7.734 ( -7.547 8.384 0.000) 11.281 8.041 ( 1.532 5.389 0.000) 5.602 8.056 ( 0.068 5.558 0.000) 5.559 8.083 ( 1.666 -11.089 0.000) 11.213 8.124 ( -2.669 -6.179 0.000) 6.730 8.503 ( 1.595 -2.462 0.000) 2.934 8.509 ( 0.460 -0.061 0.000) 0.464 8.827 ( 0.696 23.357 0.000) 23.368 8.870 ( -3.775 23.197 0.000) 23.502 9.168 ( 1.106 19.987 0.000) 20.018 9.213 ( -3.940 17.991 0.000) 18.418 9.604 ( 8.075 7.719 0.000) 11.171 9.721 ( -0.197 3.265 0.000) 3.271 9.832 ( -0.937 12.208 0.000) 12.244 9.868 ( -9.273 13.548 0.000) 16.418 10.038 ( 4.395 14.577 0.000) 15.225 10.111 ( 2.069 20.681 0.000) 20.784 10.456 ( 6.303 13.575 0.000) 14.967 10.649 ( -9.354 17.998 0.000) 20.283 10.723 ( 0.862 6.841 0.000) 6.896 10.756 ( -3.279 9.448 0.000) 10.001 10.821 ( 2.994 10.964 0.000) 11.366 10.866 ( -2.189 7.084 0.000) 7.415 11.427 ( 3.190 -3.684 0.000) 4.874 11.492 ( -3.079 -4.161 0.000) 5.176 11.645 ( 2.170 -7.088 0.000) 7.413 11.697 ( -2.669 -7.154 0.000) 7.636 13.021 ( 5.614 -2.011 0.000) 5.963 13.081 ( 0.672 -9.475 0.000) 9.499 13.107 ( -1.972 -8.343 0.000) 8.573 13.136 ( -5.701 -0.503 0.000) 5.723 13.828 ( 3.094 8.334 0.000) 8.890 13.876 ( -1.760 12.502 0.000) 12.625 13.952 ( 1.900 16.660 0.000) 16.768 14.006 ( -3.398 15.676 0.000) 16.040 14.728 ( 8.751 14.477 0.000) 16.916 14.939 ( -12.395 12.204 0.000) 17.395 15.170 ( 6.368 1.603 0.000) 6.567 15.283 ( -4.884 0.500 0.000) 4.909 16.411 ( 4.450 18.841 0.000) 19.359 16.503 ( -4.673 17.967 0.000) 18.565 16.989 ( 1.001 1.254 0.000) 1.605 17.006 ( -0.693 1.269 0.000) 1.446 18.402 ( 15.726 43.414 0.000) 46.175 18.821 ( -28.024 34.458 0.000) 44.415 19.845 ( 1.942 8.498 0.000) 8.717 19.870 ( -0.809 7.193 0.000) 7.238 20.903 ( -0.124 8.665 0.000) 8.666 20.909 ( -0.330 7.471 0.000) 7.478 21.290 ( 6.804 2.643 0.000) 7.300 21.366 ( -2.054 2.435 0.000) 3.186 23.077 ( 6.952 -0.988 0.000) 7.022 23.085 ( 9.061 -9.684 0.000) 13.262 23.535 ( 15.767 -15.311 0.000) 21.978 23.837 ( -12.685 -13.909 0.000) 18.825 24.615 ( 3.719 3.373 0.000) 5.021 24.789 ( -12.811 -6.425 0.000) 14.332 25.655 ( 0.216 -12.566 0.000) 12.568 25.660 ( -0.341 -14.634 0.000) 14.638 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 -2.787 0.000) 2.787 1.964 ( 0.000 -6.545 0.000) 6.545 2.037 ( 0.000 -2.919 0.000) 2.919 2.053 ( 0.000 -2.071 0.000) 2.071 2.421 ( 0.000 5.063 0.000) 5.063 2.457 ( 0.000 -0.469 0.000) 0.469 2.581 ( 0.000 -4.692 0.000) 4.692 2.632 ( 0.000 -2.019 0.000) 2.019 3.003 ( 0.000 17.846 0.000) 17.846 3.635 ( 0.000 9.881 0.000) 9.881 3.740 ( 0.000 12.178 0.000) 12.178 3.792 ( 0.000 15.919 0.000) 15.919 3.900 ( 0.000 6.983 0.000) 6.983 4.304 ( 0.000 20.857 0.000) 20.857 4.470 ( 0.000 15.961 0.000) 15.961 4.811 ( 0.000 3.263 0.000) 3.263 4.868 ( 0.000 9.726 0.000) 9.726 4.905 ( 0.000 -5.681 0.000) 5.681 5.073 ( 0.000 4.030 0.000) 4.030 5.215 ( 0.000 -4.500 0.000) 4.500 5.218 ( 0.000 -7.388 0.000) 7.388 5.274 ( 0.000 1.689 0.000) 1.689 5.313 ( 0.000 5.837 0.000) 5.837 5.485 ( 0.000 4.181 0.000) 4.181 5.540 ( 0.000 1.367 0.000) 1.367 5.609 ( 0.000 2.363 0.000) 2.363 5.856 ( 0.000 -6.099 0.000) 6.099 6.191 ( 0.000 8.197 0.000) 8.197 6.314 ( 0.000 -12.668 0.000) 12.668 6.516 ( 0.000 8.118 0.000) 8.118 6.756 ( 0.000 16.427 0.000) 16.427 6.863 ( 0.000 4.668 0.000) 4.668 7.150 ( 0.000 13.356 0.000) 13.356 7.394 ( 0.000 -0.806 0.000) 0.806 7.573 ( 0.000 16.216 0.000) 16.216 7.688 ( 0.000 -3.413 0.000) 3.413 7.892 ( 0.000 1.000 0.000) 1.000 7.920 ( 0.000 3.710 0.000) 3.710 7.930 ( 0.000 1.395 0.000) 1.395 8.055 ( 0.000 4.977 0.000) 4.977 8.113 ( 0.000 2.120 0.000) 2.120 8.316 ( 0.000 -6.714 0.000) 6.714 8.457 ( 0.000 -1.073 0.000) 1.073 8.541 ( 0.000 6.352 0.000) 6.352 9.237 ( 0.000 20.058 0.000) 20.058 9.392 ( 0.000 18.618 0.000) 18.618 9.519 ( 0.000 15.086 0.000) 15.086 9.737 ( 0.000 11.353 0.000) 11.353 9.775 ( 0.000 8.741 0.000) 8.741 9.850 ( 0.000 4.718 0.000) 4.718 9.947 ( 0.000 14.579 0.000) 14.579 9.968 ( 0.000 15.833 0.000) 15.833 10.240 ( 0.000 3.273 0.000) 3.273 10.418 ( 0.000 -4.502 0.000) 4.502 10.538 ( 0.000 9.417 0.000) 9.417 10.680 ( 0.000 10.876 0.000) 10.876 10.802 ( 0.000 -5.921 0.000) 5.921 10.914 ( 0.000 0.673 0.000) 0.673 11.045 ( 0.000 8.904 0.000) 8.904 11.180 ( 0.000 -1.774 0.000) 1.774 11.332 ( 0.000 -3.713 0.000) 3.713 11.433 ( 0.000 -9.286 0.000) 9.286 11.535 ( 0.000 6.307 0.000) 6.307 11.646 ( 0.000 -0.567 0.000) 0.567 12.778 ( 0.000 -6.872 0.000) 6.872 12.876 ( 0.000 -9.837 0.000) 9.837 13.026 ( 0.000 -6.280 0.000) 6.280 13.147 ( 0.000 -8.588 0.000) 8.588 14.063 ( 0.000 19.177 0.000) 19.177 14.197 ( 0.000 13.514 0.000) 13.514 14.282 ( 0.000 16.900 0.000) 16.900 14.364 ( 0.000 14.033 0.000) 14.033 14.909 ( 0.000 17.880 0.000) 17.880 15.159 ( 0.000 9.257 0.000) 9.257 15.402 ( 0.000 4.547 0.000) 4.547 15.457 ( 0.000 6.693 0.000) 6.693 16.633 ( 0.000 13.567 0.000) 13.567 16.878 ( 0.000 10.516 0.000) 10.516 16.972 ( 0.000 -0.141 0.000) 0.141 17.045 ( 0.000 1.398 0.000) 1.398 18.908 ( 0.000 32.863 0.000) 32.863 19.857 ( 0.000 -1.138 0.000) 1.138 19.950 ( 0.000 1.595 0.000) 1.595 20.078 ( 0.000 -7.242 0.000) 7.242 20.652 ( 0.000 9.075 0.000) 9.075 20.995 ( 0.000 -1.037 0.000) 1.037 21.055 ( 0.000 6.595 0.000) 6.595 21.373 ( 0.000 -4.155 0.000) 4.155 22.569 ( 0.000 8.523 0.000) 8.523 23.056 ( 0.000 13.484 0.000) 13.484 23.133 ( 0.000 -10.903 0.000) 10.903 23.879 ( 0.000 -12.375 0.000) 12.375 24.789 ( 0.000 8.396 0.000) 8.396 24.933 ( 0.000 -5.559 0.000) 5.559 25.335 ( 0.000 -15.769 0.000) 15.769 25.432 ( 0.000 -11.616 0.000) 11.616 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -2.770 -2.269 0.000) 3.581 1.928 ( -6.902 -0.164 0.000) 6.904 1.986 ( 2.071 -7.288 0.000) 7.577 2.097 ( 0.829 -5.587 0.000) 5.648 2.409 ( -1.029 4.963 0.000) 5.069 2.432 ( -2.192 0.696 0.000) 2.300 2.598 ( 1.527 -4.979 0.000) 5.208 2.640 ( 0.643 -2.471 0.000) 2.553 3.050 ( 4.941 17.936 0.000) 18.604 3.565 ( -8.686 15.782 0.000) 18.014 3.621 ( -1.509 10.903 0.000) 11.007 3.760 ( -10.524 12.773 0.000) 16.550 3.991 ( 10.567 12.004 0.000) 15.993 4.441 ( 10.613 13.836 0.000) 17.438 4.504 ( 3.147 14.629 0.000) 14.964 4.666 ( -9.349 2.128 0.000) 9.589 4.680 ( -12.957 5.593 0.000) 14.113 4.936 ( -8.417 2.008 0.000) 8.653 5.021 ( -13.177 6.165 0.000) 14.548 5.031 ( 0.378 4.602 0.000) 4.617 5.231 ( -6.438 3.569 0.000) 7.362 5.270 ( 5.925 -8.887 0.000) 10.681 5.277 ( 1.680 -6.906 0.000) 7.108 5.353 ( -7.247 -5.848 0.000) 9.312 5.766 ( 13.603 10.441 0.000) 17.148 5.899 ( 19.182 3.541 0.000) 19.507 5.913 ( 4.726 -1.618 0.000) 4.995 6.187 ( -4.236 -2.447 0.000) 4.892 6.275 ( 4.257 7.176 0.000) 8.344 6.666 ( 13.012 0.480 0.000) 13.020 6.757 ( -8.996 5.164 0.000) 10.373 6.891 ( 11.170 15.524 0.000) 19.125 7.133 ( -2.505 11.710 0.000) 11.975 7.448 ( 4.607 1.296 0.000) 4.785 7.512 ( -6.851 15.063 0.000) 16.548 7.685 ( -0.180 -4.662 0.000) 4.665 7.863 ( -2.460 6.099 0.000) 6.577 7.863 ( -2.751 0.482 0.000) 2.793 7.926 ( -2.820 -1.425 0.000) 3.160 8.034 ( -2.235 1.103 0.000) 2.492 8.120 ( 0.750 2.043 0.000) 2.177 8.357 ( 3.639 -6.358 0.000) 7.325 8.386 ( -9.172 6.875 0.000) 11.463 8.486 ( -1.557 -0.969 0.000) 1.834 9.243 ( 0.202 18.978 0.000) 18.979 9.347 ( -3.773 18.191 0.000) 18.578 9.530 ( -0.160 14.996 0.000) 14.997 9.620 ( -8.760 11.622 0.000) 14.553 9.710 ( -0.675 9.877 0.000) 9.900 9.793 ( -1.380 2.517 0.000) 2.871 10.053 ( 4.927 14.660 0.000) 15.466 10.197 ( -1.081 5.276 0.000) 5.386 10.221 ( 2.897 3.518 0.000) 4.557 10.285 ( 6.238 14.465 0.000) 15.753 10.661 ( -0.014 13.592 0.000) 13.592 10.716 ( 8.261 2.304 0.000) 8.577 10.803 ( 0.048 -2.499 0.000) 2.500 10.948 ( 2.973 0.092 0.000) 2.974 11.018 ( -1.692 8.527 0.000) 8.693 11.138 ( -4.125 3.736 0.000) 5.565 11.320 ( -1.088 -5.476 0.000) 5.583 11.435 ( 0.424 -9.566 0.000) 9.575 11.527 ( -2.340 4.041 0.000) 4.670 11.586 ( -4.761 -4.151 0.000) 6.317 12.818 ( 3.850 -6.920 0.000) 7.919 12.878 ( 0.466 -9.331 0.000) 9.342 13.002 ( -2.252 -6.425 0.000) 6.808 13.119 ( -2.908 -8.286 0.000) 8.781 14.079 ( 1.601 18.767 0.000) 18.835 14.216 ( 1.934 13.827 0.000) 13.962 14.249 ( -2.915 16.940 0.000) 17.189 14.360 ( -0.819 14.266 0.000) 14.289 14.939 ( 3.101 17.289 0.000) 17.565 15.190 ( 3.045 8.384 0.000) 8.920 15.345 ( -6.244 7.554 0.000) 9.800 15.418 ( -2.985 5.334 0.000) 6.113 16.659 ( 2.611 13.419 0.000) 13.671 16.857 ( -2.119 10.958 0.000) 11.161 16.983 ( 1.042 0.034 0.000) 1.042 17.041 ( -0.426 1.286 0.000) 1.354 18.956 ( 4.931 31.847 0.000) 32.227 19.732 ( -21.349 7.935 0.000) 22.776 19.879 ( 1.930 -1.245 0.000) 2.297 19.965 ( -1.640 1.279 0.000) 2.080 20.899 ( 12.680 1.844 0.000) 12.814 21.059 ( 0.217 6.909 0.000) 6.913 21.086 ( 9.925 -1.243 0.000) 10.002 21.371 ( 0.012 -3.174 0.000) 3.174 22.691 ( 11.964 3.179 0.000) 12.379 23.076 ( 1.411 9.572 0.000) 9.676 23.149 ( 2.222 -10.902 0.000) 11.126 23.792 ( -8.774 -13.133 0.000) 15.794 24.764 ( -2.240 8.594 0.000) 8.882 24.871 ( -5.550 -3.164 0.000) 6.388 25.349 ( 1.262 -15.286 0.000) 15.338 25.424 ( -0.751 -11.992 0.000) 12.016 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.471 -0.568 0.000) 0.738 1.805 ( -4.895 0.657 0.000) 4.939 2.037 ( 2.918 -8.492 0.000) 8.979 2.086 ( -1.790 -8.123 0.000) 8.318 2.390 ( -0.664 4.408 0.000) 4.458 2.394 ( -1.212 2.864 0.000) 3.110 2.630 ( 1.464 -4.901 0.000) 5.114 2.647 ( -0.193 -3.736 0.000) 3.741 3.194 ( 9.615 18.267 0.000) 20.643 3.398 ( -9.935 18.671 0.000) 21.150 3.583 ( -1.853 12.735 0.000) 12.869 3.591 ( -4.344 12.889 0.000) 13.602 4.189 ( 9.935 11.502 0.000) 15.199 4.402 ( -12.727 9.232 0.000) 15.723 4.557 ( -1.263 3.810 0.000) 4.014 4.566 ( 0.839 9.471 0.000) 9.508 4.636 ( 8.451 6.121 0.000) 10.435 4.776 ( -7.208 0.679 0.000) 7.240 4.869 ( -1.827 9.874 0.000) 10.041 4.943 ( -7.006 9.834 0.000) 12.074 5.141 ( -1.341 -3.536 0.000) 3.782 5.187 ( -5.647 -4.916 0.000) 7.487 5.350 ( 2.397 -10.166 0.000) 10.445 5.365 ( 1.910 -9.895 0.000) 10.078 5.952 ( 4.818 12.961 0.000) 13.828 5.975 ( 1.232 9.411 0.000) 9.491 6.193 ( 8.095 3.368 0.000) 8.768 6.199 ( 4.315 -1.054 0.000) 4.441 6.395 ( 7.616 7.262 0.000) 10.523 6.567 ( -9.767 5.453 0.000) 11.186 6.969 ( 15.647 1.832 0.000) 15.754 7.081 ( -1.275 8.727 0.000) 8.819 7.082 ( 6.464 16.055 0.000) 17.307 7.303 ( -13.779 14.196 0.000) 19.784 7.537 ( 4.848 1.879 0.000) 5.199 7.653 ( -4.885 -3.306 0.000) 5.898 7.818 ( -0.591 0.966 0.000) 1.132 7.834 ( -0.912 7.170 0.000) 7.228 7.881 ( 0.878 -7.657 0.000) 7.707 7.963 ( -5.054 -5.806 0.000) 7.697 8.140 ( 1.496 2.902 0.000) 3.265 8.209 ( -6.607 6.827 0.000) 9.501 8.428 ( 3.099 -4.983 0.000) 5.868 8.468 ( -1.110 -2.743 0.000) 2.959 9.243 ( 0.269 17.424 0.000) 17.426 9.274 ( -3.072 17.558 0.000) 17.825 9.507 ( -1.237 13.742 0.000) 13.797 9.513 ( -2.459 11.900 0.000) 12.152 9.730 ( 1.876 5.924 0.000) 6.214 9.764 ( -1.584 2.886 0.000) 3.292 10.052 ( -0.886 9.239 0.000) 9.282 10.095 ( -5.345 8.234 0.000) 9.817 10.322 ( 10.039 14.454 0.000) 17.598 10.475 ( -2.370 16.411 0.000) 16.581 10.729 ( 10.933 11.829 0.000) 16.107 10.802 ( -0.160 1.365 0.000) 1.374 10.818 ( 2.915 4.882 0.000) 5.686 10.984 ( -4.968 5.807 0.000) 7.642 11.027 ( 1.677 7.838 0.000) 8.015 11.032 ( -2.302 9.230 0.000) 9.513 11.315 ( 1.678 -8.108 0.000) 8.280 11.407 ( -7.220 -4.145 0.000) 8.325 11.459 ( 2.228 -9.985 0.000) 10.231 11.519 ( -3.332 -7.546 0.000) 8.249 12.893 ( 2.481 -7.995 0.000) 8.371 12.925 ( 5.450 -7.251 0.000) 9.070 12.947 ( -3.095 -7.015 0.000) 7.667 13.037 ( -5.339 -7.611 0.000) 9.297 14.123 ( 2.820 17.920 0.000) 18.141 14.185 ( -3.414 17.276 0.000) 17.610 14.268 ( 3.092 14.357 0.000) 14.686 14.326 ( -2.591 14.497 0.000) 14.727 15.033 ( 6.523 15.369 0.000) 16.696 15.187 ( -8.833 11.999 0.000) 14.900 15.266 ( 4.423 6.527 0.000) 7.884 15.350 ( -4.009 5.075 0.000) 6.467 16.725 ( 3.870 12.891 0.000) 13.459 16.800 ( -3.579 11.955 0.000) 12.480 17.006 ( 1.255 0.472 0.000) 1.341 17.028 ( -0.889 0.954 0.000) 1.304 19.101 ( 10.030 28.326 0.000) 30.050 19.355 ( -16.310 20.920 0.000) 26.526 19.917 ( 1.679 -1.033 0.000) 1.971 19.942 ( -1.020 0.046 0.000) 1.021 21.031 ( 3.061 5.250 0.000) 6.078 21.059 ( -0.366 7.172 0.000) 7.182 21.290 ( 7.724 -2.221 0.000) 8.036 21.368 ( -1.074 -2.071 0.000) 2.333 22.953 ( 11.346 -3.451 0.000) 11.859 23.076 ( -2.275 1.280 0.000) 2.610 23.265 ( 11.217 -12.192 0.000) 16.567 23.551 ( -15.254 -14.283 0.000) 20.897 24.727 ( -0.707 7.750 0.000) 7.783 24.762 ( -4.394 3.011 0.000) 5.327 25.377 ( 1.480 -14.200 0.000) 14.277 25.404 ( -1.261 -12.970 0.000) 13.031 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 0.392 0.000) 0.392 1.855 ( 0.000 -4.200 0.000) 4.200 2.005 ( 0.000 -0.404 0.000) 0.404 2.017 ( 0.000 -1.436 0.000) 1.436 2.446 ( 0.000 0.205 0.000) 0.205 2.486 ( 0.000 -3.931 0.000) 3.931 2.506 ( 0.000 3.779 0.000) 3.779 2.575 ( 0.000 -3.333 0.000) 3.333 3.388 ( 0.000 19.362 0.000) 19.362 3.674 ( 0.000 -7.273 0.000) 7.273 3.928 ( 0.000 6.453 0.000) 6.453 3.981 ( 0.000 1.232 0.000) 1.232 4.138 ( 0.000 18.022 0.000) 18.022 4.462 ( 0.000 -11.010 0.000) 11.010 4.748 ( 0.000 11.371 0.000) 11.371 4.835 ( 0.000 -0.249 0.000) 0.249 4.867 ( 0.000 10.960 0.000) 10.960 4.952 ( 0.000 -3.645 0.000) 3.645 5.012 ( 0.000 3.553 0.000) 3.553 5.061 ( 0.000 -9.953 0.000) 9.953 5.150 ( 0.000 -1.913 0.000) 1.913 5.213 ( 0.000 -11.302 0.000) 11.302 5.468 ( 0.000 8.645 0.000) 8.645 5.544 ( 0.000 0.465 0.000) 0.465 5.600 ( 0.000 2.955 0.000) 2.955 5.635 ( 0.000 -0.244 0.000) 0.244 5.900 ( 0.000 8.079 0.000) 8.079 6.087 ( 0.000 -10.475 0.000) 10.475 6.413 ( 0.000 11.713 0.000) 11.713 6.569 ( 0.000 -2.909 0.000) 2.909 7.013 ( 0.000 10.040 0.000) 10.040 7.050 ( 0.000 13.373 0.000) 13.373 7.206 ( 0.000 -7.125 0.000) 7.125 7.278 ( 0.000 -9.563 0.000) 9.563 7.695 ( 0.000 5.579 0.000) 5.579 7.765 ( 0.000 2.040 0.000) 2.040 7.952 ( 0.000 5.181 0.000) 5.181 7.974 ( 0.000 2.598 0.000) 2.598 7.986 ( 0.000 2.181 0.000) 2.181 8.067 ( 0.000 -4.603 0.000) 4.603 8.130 ( 0.000 0.230 0.000) 0.230 8.182 ( 0.000 -5.745 0.000) 5.745 8.500 ( 0.000 5.197 0.000) 5.197 8.582 ( 0.000 -1.762 0.000) 1.762 9.589 ( 0.000 15.189 0.000) 15.189 9.668 ( 0.000 8.010 0.000) 8.010 9.706 ( 0.000 3.832 0.000) 3.832 9.806 ( 0.000 -6.046 0.000) 6.046 9.959 ( 0.000 7.027 0.000) 7.027 9.984 ( 0.000 14.046 0.000) 14.046 10.074 ( 0.000 -2.648 0.000) 2.648 10.211 ( 0.000 -6.176 0.000) 6.176 10.306 ( 0.000 17.031 0.000) 17.031 10.438 ( 0.000 7.327 0.000) 7.327 10.572 ( 0.000 -3.777 0.000) 3.777 10.620 ( 0.000 -12.910 0.000) 12.910 10.888 ( 0.000 0.258 0.000) 0.258 10.931 ( 0.000 12.117 0.000) 12.117 11.002 ( 0.000 -10.762 0.000) 10.762 11.156 ( 0.000 -11.232 0.000) 11.232 11.194 ( 0.000 6.934 0.000) 6.934 11.317 ( 0.000 -5.200 0.000) 5.200 11.676 ( 0.000 5.977 0.000) 5.977 11.712 ( 0.000 2.677 0.000) 2.677 12.678 ( 0.000 -2.015 0.000) 2.015 12.718 ( 0.000 -5.673 0.000) 5.673 12.950 ( 0.000 -0.872 0.000) 0.872 12.999 ( 0.000 -5.613 0.000) 5.613 14.362 ( 0.000 9.296 0.000) 9.296 14.398 ( 0.000 5.326 0.000) 5.326 14.535 ( 0.000 7.819 0.000) 7.819 14.564 ( 0.000 4.937 0.000) 4.937 15.203 ( 0.000 10.478 0.000) 10.478 15.286 ( 0.000 2.049 0.000) 2.049 15.495 ( 0.000 3.994 0.000) 3.994 15.532 ( 0.000 0.757 0.000) 0.757 16.843 ( 0.000 7.841 0.000) 7.841 16.946 ( 0.000 -2.882 0.000) 2.882 17.025 ( 0.000 4.496 0.000) 4.496 17.064 ( 0.000 0.050 0.000) 0.050 19.427 ( 0.000 20.618 0.000) 20.618 19.736 ( 0.000 -10.989 0.000) 10.989 19.961 ( 0.000 0.136 0.000) 0.136 19.982 ( 0.000 -2.602 0.000) 2.602 20.816 ( 0.000 7.401 0.000) 7.401 20.937 ( 0.000 -4.721 0.000) 4.721 21.175 ( 0.000 5.681 0.000) 5.681 21.281 ( 0.000 -5.068 0.000) 5.068 22.737 ( 0.000 8.828 0.000) 8.828 22.923 ( 0.000 -10.175 0.000) 10.175 23.327 ( 0.000 14.173 0.000) 14.173 23.611 ( 0.000 -14.453 0.000) 14.453 24.914 ( 0.000 3.659 0.000) 3.659 24.976 ( 0.000 10.575 0.000) 10.575 25.065 ( 0.000 -11.206 0.000) 11.206 25.199 ( 0.000 -11.845 0.000) 11.845 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -1.678 1.175 0.000) 2.048 1.854 ( 0.161 -5.521 0.000) 5.524 1.941 ( -5.190 1.681 0.000) 5.455 1.999 ( -2.568 -4.172 0.000) 4.899 2.443 ( -0.138 1.269 0.000) 1.276 2.495 ( -0.997 4.018 0.000) 4.140 2.498 ( 1.165 -4.344 0.000) 4.497 2.573 ( -0.345 -3.867 0.000) 3.883 3.430 ( 4.261 18.525 0.000) 19.009 3.689 ( 1.365 -5.510 0.000) 5.676 3.831 ( -6.297 9.785 0.000) 11.636 3.908 ( -6.806 2.105 0.000) 7.125 4.245 ( 7.665 13.157 0.000) 15.227 4.491 ( 1.966 -10.085 0.000) 10.275 4.708 ( -6.182 4.024 0.000) 7.376 4.743 ( -7.368 0.523 0.000) 7.386 4.795 ( -3.624 13.503 0.000) 13.981 4.892 ( -2.816 4.498 0.000) 5.307 5.033 ( -2.637 -6.950 0.000) 7.434 5.085 ( 1.063 -10.532 0.000) 10.586 5.158 ( 2.546 -1.372 0.000) 2.892 5.188 ( -2.493 -3.900 0.000) 4.629 5.200 ( -12.703 6.681 0.000) 14.352 5.291 ( -12.190 -2.837 0.000) 12.516 5.933 ( 17.634 5.517 0.000) 18.476 5.966 ( 19.481 1.803 0.000) 19.565 5.982 ( 7.824 6.928 0.000) 10.450 6.114 ( 2.205 -5.547 0.000) 5.969 6.470 ( 5.892 10.675 0.000) 12.193 6.628 ( 7.935 -4.766 0.000) 9.256 6.922 ( -7.726 11.376 0.000) 13.752 7.154 ( -4.621 -9.338 0.000) 10.419 7.165 ( 9.921 12.323 0.000) 15.820 7.370 ( 8.135 -8.114 0.000) 11.490 7.650 ( -4.481 4.342 0.000) 6.240 7.705 ( -6.549 2.139 0.000) 6.890 7.907 ( -4.555 4.178 0.000) 6.180 7.933 ( -4.514 2.660 0.000) 5.239 7.963 ( -1.988 1.785 0.000) 2.671 8.007 ( -5.992 -4.497 0.000) 7.492 8.142 ( 1.647 1.501 0.000) 2.228 8.223 ( 3.939 -6.341 0.000) 7.465 8.471 ( -3.643 2.863 0.000) 4.633 8.497 ( -6.822 0.564 0.000) 6.845 9.543 ( -3.394 11.375 0.000) 11.871 9.626 ( -3.730 9.139 0.000) 9.871 9.696 ( -7.371 -4.040 0.000) 8.406 9.699 ( -1.442 1.877 0.000) 2.367 9.926 ( -0.235 11.676 0.000) 11.678 9.938 ( -2.800 13.591 0.000) 13.876 10.145 ( 0.755 -8.821 0.000) 8.853 10.156 ( -3.768 -5.768 0.000) 6.889 10.413 ( 9.082 16.481 0.000) 18.818 10.564 ( 13.262 11.815 0.000) 17.762 10.697 ( 6.348 -9.839 0.000) 11.709 10.718 ( 11.112 -3.319 0.000) 11.597 10.900 ( 1.230 -0.337 0.000) 1.276 10.917 ( -1.405 11.741 0.000) 11.824 11.013 ( 1.083 -10.371 0.000) 10.427 11.137 ( -1.845 -10.978 0.000) 11.132 11.158 ( -2.725 6.694 0.000) 7.227 11.293 ( -1.901 -6.468 0.000) 6.742 11.626 ( -5.296 4.085 0.000) 6.688 11.632 ( -7.993 3.703 0.000) 8.809 12.711 ( 3.193 -2.744 0.000) 4.210 12.733 ( 1.708 -4.830 0.000) 5.123 12.925 ( -2.467 -0.905 0.000) 2.628 12.973 ( -2.592 -5.561 0.000) 6.135 14.375 ( 1.347 9.442 0.000) 9.538 14.417 ( 1.874 5.044 0.000) 5.381 14.512 ( -2.047 8.548 0.000) 8.790 14.555 ( -1.133 4.398 0.000) 4.541 15.223 ( 2.031 10.155 0.000) 10.357 15.306 ( 1.925 1.743 0.000) 2.597 15.464 ( -3.270 4.224 0.000) 5.342 15.494 ( -3.282 1.394 0.000) 3.565 16.865 ( 2.139 7.542 0.000) 7.840 16.962 ( 1.523 -2.575 0.000) 2.992 17.011 ( -1.376 4.833 0.000) 5.025 17.056 ( -0.802 -0.200 0.000) 0.827 19.459 ( 3.168 19.979 0.000) 20.229 19.759 ( 2.188 -10.734 0.000) 10.955 19.854 ( -9.089 5.081 0.000) 10.413 19.940 ( -3.247 -3.350 0.000) 4.666 20.958 ( 10.864 3.951 0.000) 11.561 21.036 ( 9.213 -3.575 0.000) 9.882 21.184 ( 0.693 5.864 0.000) 5.905 21.290 ( 0.807 -4.889 0.000) 4.955 22.789 ( 5.563 6.595 0.000) 8.628 22.947 ( 2.879 -9.359 0.000) 9.792 23.280 ( -4.892 11.379 0.000) 12.386 23.526 ( -8.548 -13.425 0.000) 15.915 24.899 ( -1.202 5.673 0.000) 5.799 24.956 ( -1.935 10.853 0.000) 11.024 25.077 ( 1.169 -11.958 0.000) 12.015 25.185 ( -1.415 -12.175 0.000) 12.257 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.982 2.564 0.000) 2.746 1.834 ( -4.951 2.953 0.000) 5.764 1.873 ( 2.016 -7.350 0.000) 7.622 1.932 ( -3.712 -6.877 0.000) 7.815 2.448 ( 0.762 3.155 0.000) 3.246 2.471 ( -1.391 4.116 0.000) 4.344 2.527 ( 1.713 -4.909 0.000) 5.199 2.558 ( -1.235 -4.725 0.000) 4.884 3.549 ( 7.740 15.499 0.000) 17.324 3.710 ( -7.554 10.922 0.000) 13.280 3.721 ( 1.845 -0.490 0.000) 1.909 3.775 ( -4.744 4.235 0.000) 6.359 4.388 ( 6.825 8.372 0.000) 10.801 4.525 ( 2.404 -5.426 0.000) 5.934 4.532 ( -8.809 4.417 0.000) 9.854 4.610 ( -6.120 -3.641 0.000) 7.121 4.785 ( 2.457 8.947 0.000) 9.279 4.857 ( -3.244 8.850 0.000) 9.426 4.982 ( -0.383 -9.938 0.000) 9.946 5.021 ( -2.364 1.276 0.000) 2.687 5.067 ( -5.663 -3.112 0.000) 6.462 5.095 ( -4.994 5.057 0.000) 7.107 5.171 ( 1.301 -7.452 0.000) 7.565 5.201 ( -0.355 -6.387 0.000) 6.397 6.141 ( 5.896 5.976 0.000) 8.395 6.166 ( 4.771 7.687 0.000) 9.047 6.197 ( 6.554 -0.291 0.000) 6.561 6.241 ( 5.808 0.004 0.000) 5.808 6.620 ( 8.764 13.857 0.000) 16.396 6.772 ( -7.036 14.774 0.000) 16.364 6.870 ( 13.914 -10.109 0.000) 17.199 7.058 ( -5.483 -10.793 0.000) 12.105 7.361 ( 8.615 11.556 0.000) 14.414 7.517 ( -9.253 6.324 0.000) 11.208 7.521 ( 5.314 -4.354 0.000) 6.870 7.581 ( -3.029 -1.964 0.000) 3.610 7.814 ( -2.368 0.460 0.000) 2.413 7.826 ( -4.520 1.870 0.000) 4.892 7.866 ( -6.275 -4.246 0.000) 7.577 7.889 ( -5.322 -1.826 0.000) 5.627 8.207 ( 4.916 4.682 0.000) 6.789 8.317 ( 5.158 -6.015 0.000) 7.924 8.328 ( -7.504 5.180 0.000) 9.118 8.411 ( -4.326 -3.328 0.000) 5.458 9.503 ( -0.052 9.304 0.000) 9.304 9.545 ( -3.893 9.691 0.000) 10.444 9.616 ( -0.680 -1.684 0.000) 1.816 9.648 ( -3.103 -0.197 0.000) 3.109 9.912 ( 0.039 12.854 0.000) 12.854 9.921 ( -0.482 12.556 0.000) 12.565 10.115 ( -0.306 -4.566 0.000) 4.577 10.129 ( -1.314 -5.710 0.000) 5.859 10.608 ( 9.982 14.479 0.000) 17.587 10.748 ( -1.163 11.176 0.000) 11.237 10.817 ( 5.170 -1.991 0.000) 5.540 10.877 ( -0.097 3.217 0.000) 3.219 10.913 ( 6.003 3.567 0.000) 6.983 10.936 ( 2.236 -3.283 0.000) 3.972 11.039 ( 1.478 -8.625 0.000) 8.750 11.082 ( -3.349 -7.764 0.000) 8.456 11.182 ( 7.370 3.253 0.000) 8.055 11.302 ( 5.087 -6.498 0.000) 8.253 11.413 ( -13.499 5.182 0.000) 14.460 11.475 ( -9.911 -0.563 0.000) 9.927 12.782 ( 3.720 -2.671 0.000) 4.579 12.800 ( 5.065 -4.375 0.000) 6.693 12.860 ( -3.993 -1.365 0.000) 4.220 12.900 ( -4.737 -5.207 0.000) 7.039 14.413 ( 2.401 9.651 0.000) 9.946 14.464 ( -2.727 9.422 0.000) 9.809 14.465 ( 2.848 4.413 0.000) 5.252 14.519 ( -2.472 4.035 0.000) 4.732 15.282 ( 4.032 8.894 0.000) 9.765 15.357 ( 3.215 1.250 0.000) 3.449 15.375 ( -5.187 6.457 0.000) 8.283 15.425 ( -3.633 1.296 0.000) 3.857 16.917 ( 2.969 6.737 0.000) 7.363 16.972 ( -2.513 5.700 0.000) 6.230 16.998 ( 1.990 -1.796 0.000) 2.680 17.033 ( -1.558 -0.887 0.000) 1.793 19.546 ( 5.671 17.655 0.000) 18.544 19.680 ( -8.089 12.824 0.000) 15.162 19.812 ( 3.000 -9.518 0.000) 9.979 19.873 ( -3.328 -6.856 0.000) 7.622 21.128 ( 5.883 4.830 0.000) 7.612 21.188 ( -0.788 6.071 0.000) 6.122 21.221 ( 7.427 -4.424 0.000) 8.645 21.297 ( -0.897 -4.805 0.000) 4.888 22.949 ( 10.005 2.896 0.000) 10.416 23.061 ( 9.468 -8.282 0.000) 12.579 23.140 ( -9.053 5.558 0.000) 10.623 23.301 ( -13.485 -10.721 0.000) 17.227 24.887 ( 0.305 9.220 0.000) 9.225 24.913 ( -2.127 10.944 0.000) 11.149 25.108 ( 1.931 -12.864 0.000) 13.008 25.149 ( -2.117 -12.793 0.000) 12.967 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 0.000 33.067) 33.067 0.731 ( 0.000 0.000 38.858) 38.858 1.015 ( 0.000 0.000 54.427) 54.427 2.017 ( 0.000 0.000 -7.071) 7.071 2.018 ( 0.000 0.000 4.371) 4.371 2.167 ( 0.000 0.000 -5.534) 5.534 2.254 ( 0.000 0.000 -3.062) 3.062 2.464 ( 0.000 0.000 -20.155) 20.155 2.607 ( 0.000 0.000 -9.266) 9.266 2.713 ( 0.000 0.000 1.505) 1.505 2.834 ( 0.000 0.000 -1.469) 1.469 3.193 ( 0.000 0.000 -15.566) 15.566 3.240 ( 0.000 0.000 3.836) 3.836 3.399 ( 0.000 0.000 -0.438) 0.438 3.485 ( 0.000 0.000 9.553) 9.553 3.515 ( 0.000 0.000 6.397) 6.397 3.645 ( 0.000 0.000 15.357) 15.357 3.832 ( 0.000 0.000 -1.884) 1.884 3.978 ( 0.000 0.000 -5.076) 5.076 4.039 ( 0.000 0.000 3.659) 3.659 4.135 ( 0.000 0.000 -1.029) 1.029 4.258 ( 0.000 0.000 7.162) 7.162 4.707 ( 0.000 0.000 7.259) 7.259 4.878 ( 0.000 0.000 -11.880) 11.880 5.216 ( 0.000 0.000 -6.730) 6.730 5.234 ( 0.000 0.000 7.575) 7.575 5.467 ( 0.000 0.000 -31.842) 31.842 5.664 ( 0.000 0.000 0.590) 0.590 5.723 ( 0.000 0.000 -0.773) 0.773 5.738 ( 0.000 0.000 0.045) 0.045 5.744 ( 0.000 0.000 -0.171) 0.171 6.080 ( 0.000 0.000 -1.719) 1.719 6.534 ( 0.000 0.000 -6.586) 6.586 6.867 ( 0.000 0.000 -7.354) 7.354 7.064 ( 0.000 0.000 11.307) 11.307 7.434 ( 0.000 0.000 8.183) 8.183 7.580 ( 0.000 0.000 6.481) 6.481 7.635 ( 0.000 0.000 0.820) 0.820 7.683 ( 0.000 0.000 -0.098) 0.098 7.806 ( 0.000 0.000 5.435) 5.435 7.816 ( 0.000 0.000 -4.384) 4.384 8.121 ( 0.000 0.000 3.957) 3.957 8.161 ( 0.000 0.000 -10.945) 10.945 8.318 ( 0.000 0.000 -0.366) 0.366 8.384 ( 0.000 0.000 -10.777) 10.777 8.406 ( 0.000 0.000 -4.832) 4.832 8.475 ( 0.000 0.000 -0.628) 0.628 8.544 ( 0.000 0.000 7.970) 7.970 8.641 ( 0.000 0.000 -1.014) 1.014 8.713 ( 0.000 0.000 1.149) 1.149 8.761 ( 0.000 0.000 -2.919) 2.919 8.765 ( 0.000 0.000 2.230) 2.230 8.835 ( 0.000 0.000 -2.955) 2.955 8.896 ( 0.000 0.000 0.913) 0.913 8.964 ( 0.000 0.000 -0.531) 0.531 9.007 ( 0.000 0.000 -5.305) 5.305 10.005 ( 0.000 0.000 9.460) 9.460 10.331 ( 0.000 0.000 15.927) 15.927 10.550 ( 0.000 0.000 24.546) 24.546 10.973 ( 0.000 0.000 -20.272) 20.272 11.366 ( 0.000 0.000 -7.668) 7.668 11.633 ( 0.000 0.000 -0.451) 0.451 11.836 ( 0.000 0.000 -1.393) 1.393 12.090 ( 0.000 0.000 7.850) 7.850 12.224 ( 0.000 0.000 -19.351) 19.351 12.351 ( 0.000 0.000 6.824) 6.824 12.643 ( 0.000 0.000 -6.151) 6.151 12.842 ( 0.000 0.000 -5.532) 5.532 13.310 ( 0.000 0.000 21.364) 21.364 13.603 ( 0.000 0.000 -1.912) 1.912 13.800 ( 0.000 0.000 2.317) 2.317 13.927 ( 0.000 0.000 1.281) 1.281 14.722 ( 0.000 0.000 23.511) 23.511 15.017 ( 0.000 0.000 -0.257) 0.257 15.044 ( 0.000 0.000 -0.519) 0.519 15.120 ( 0.000 0.000 3.190) 3.190 15.183 ( 0.000 0.000 -2.404) 2.404 16.737 ( 0.000 0.000 1.368) 1.368 16.841 ( 0.000 0.000 -1.233) 1.233 16.866 ( 0.000 0.000 1.197) 1.197 16.957 ( 0.000 0.000 -1.079) 1.079 17.282 ( 0.000 0.000 -31.673) 31.673 18.351 ( 0.000 0.000 7.772) 7.772 18.889 ( 0.000 0.000 -5.896) 5.896 19.965 ( 0.000 0.000 10.253) 10.253 20.489 ( 0.000 0.000 -4.671) 4.671 21.344 ( 0.000 0.000 1.879) 1.879 21.490 ( 0.000 0.000 -2.538) 2.538 22.105 ( 0.000 0.000 13.909) 13.909 23.332 ( 0.000 0.000 -23.925) 23.925 24.118 ( 0.000 0.000 13.573) 13.573 24.436 ( 0.000 0.000 -1.513) 1.513 24.511 ( 0.000 0.000 12.895) 12.895 25.779 ( 0.000 0.000 -23.855) 23.855 26.469 ( 0.000 0.000 12.721) 12.721 26.853 ( 0.000 0.000 -2.622) 2.622 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 10.960 0.000 19.372) 22.258 1.028 ( 25.498 0.000 26.640) 36.876 1.376 ( 26.155 0.000 40.122) 47.894 1.844 ( -10.368 0.000 -5.293) 11.641 1.960 ( -6.838 0.000 -11.930) 13.750 2.157 ( -8.160 0.000 -5.499) 9.840 2.279 ( 7.631 0.000 -0.279) 7.636 2.510 ( 3.761 0.000 -18.026) 18.414 2.535 ( -15.887 0.000 4.022) 16.388 2.632 ( 3.484 0.000 -2.110) 4.073 2.816 ( -2.491 0.000 -3.066) 3.950 3.002 ( -9.590 0.000 -9.472) 13.479 3.250 ( -7.926 0.000 10.290) 12.989 3.399 ( 4.862 0.000 -2.931) 5.677 3.451 ( 1.303 0.000 8.095) 8.199 3.657 ( 8.799 0.000 4.605) 9.931 3.779 ( -4.984 0.000 -1.702) 5.266 3.862 ( -7.548 0.000 10.519) 12.947 3.970 ( -1.140 0.000 -3.716) 3.887 3.974 ( 8.039 0.000 -5.786) 9.905 4.221 ( 3.183 0.000 -3.179) 4.499 4.310 ( 4.991 0.000 0.290) 4.999 4.590 ( -4.611 0.000 0.339) 4.624 4.906 ( 2.855 0.000 -11.479) 11.829 5.073 ( -10.372 0.000 3.874) 11.072 5.203 ( -4.141 0.000 -3.911) 5.696 5.593 ( 9.586 0.000 -30.397) 31.873 5.657 ( -0.433 0.000 0.448) 0.624 5.702 ( -1.673 0.000 -0.570) 1.768 5.743 ( 0.919 0.000 0.133) 0.929 5.762 ( 0.779 0.000 -0.366) 0.860 6.090 ( -1.768 0.000 -10.299) 10.449 6.545 ( 1.698 0.000 -2.511) 3.031 6.836 ( -3.246 0.000 -2.767) 4.266 7.124 ( 5.732 0.000 7.235) 9.231 7.426 ( -0.761 0.000 8.906) 8.938 7.659 ( 2.319 0.000 1.017) 2.532 7.701 ( 9.604 0.000 3.159) 10.110 7.716 ( 3.075 0.000 0.829) 3.185 7.817 ( 1.013 0.000 3.971) 4.098 7.833 ( 2.077 0.000 -3.962) 4.474 8.087 ( -3.063 0.000 3.806) 4.886 8.092 ( -4.304 0.000 -5.579) 7.047 8.245 ( -7.606 0.000 -2.864) 8.127 8.316 ( -4.173 0.000 -1.769) 4.533 8.373 ( -4.257 0.000 0.363) 4.272 8.452 ( -0.879 0.000 -3.987) 4.083 8.597 ( 4.565 0.000 3.526) 5.768 8.650 ( -1.900 0.000 -6.477) 6.749 8.698 ( -2.826 0.000 6.148) 6.766 8.766 ( 3.447 0.000 0.514) 3.486 8.803 ( 6.087 0.000 0.821) 6.142 8.836 ( -1.115 0.000 -1.996) 2.286 8.917 ( 1.340 0.000 0.268) 1.366 8.974 ( 0.702 0.000 -0.181) 0.725 8.983 ( -3.524 0.000 -5.665) 6.671 10.094 ( 6.806 0.000 2.841) 7.375 10.363 ( 3.114 0.000 14.855) 15.178 10.508 ( -3.202 0.000 20.123) 20.377 10.961 ( -1.990 0.000 -19.039) 19.143 11.407 ( 2.909 0.000 -6.581) 7.195 11.491 ( -8.851 0.000 3.833) 9.645 11.748 ( -12.273 0.000 -4.548) 13.089 12.019 ( -12.706 0.000 -4.734) 13.559 12.105 ( 1.538 0.000 7.592) 7.746 12.308 ( -3.854 0.000 6.297) 7.383 12.679 ( 3.074 0.000 -5.474) 6.278 12.831 ( -1.154 0.000 -5.433) 5.554 13.340 ( 2.656 0.000 22.607) 22.762 13.526 ( -5.942 0.000 9.373) 11.098 13.802 ( 1.964 0.000 3.342) 3.876 13.945 ( 0.187 0.000 -6.150) 6.153 14.746 ( 2.088 0.000 23.081) 23.175 14.969 ( -5.469 0.000 1.553) 5.685 15.030 ( 0.275 0.000 7.823) 7.828 15.146 ( 2.587 0.000 1.629) 3.057 15.218 ( 2.319 0.000 0.851) 2.470 16.244 ( -81.690 0.000 101.764) 130.496 16.742 ( 0.576 0.000 1.275) 1.399 16.816 ( -1.677 0.000 -0.022) 1.678 16.889 ( 1.547 0.000 0.016) 1.547 16.953 ( -0.459 0.000 -1.017) 1.116 17.379 ( 9.000 0.000 -29.964) 31.287 18.681 ( -25.720 0.000 -12.442) 28.572 20.199 ( 9.482 0.000 -1.251) 9.564 20.602 ( 8.481 0.000 -4.666) 9.680 20.718 ( -14.609 0.000 15.804) 21.522 21.226 ( -17.284 0.000 -2.999) 17.542 22.667 ( 33.490 0.000 11.969) 35.565 23.728 ( 7.265 0.000 -2.861) 7.808 24.344 ( -7.722 0.000 2.937) 8.262 24.412 ( -2.786 0.000 -0.995) 2.959 25.150 ( 37.728 0.000 -39.213) 54.415 25.780 ( -1.246 0.000 -24.817) 24.848 26.614 ( 10.704 0.000 2.272) 10.942 26.852 ( -0.290 0.000 -1.915) 1.936 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 28.984 0.000 -5.886) 29.575 1.540 ( -19.531 0.000 -6.879) 20.707 1.579 ( 29.103 0.000 15.284) 32.872 1.801 ( 6.287 0.000 -6.185) 8.819 1.934 ( -8.643 0.000 -16.818) 18.909 2.050 ( 21.032 0.000 17.308) 27.238 2.116 ( -25.289 0.000 8.636) 26.723 2.419 ( -1.297 0.000 9.453) 9.542 2.594 ( -3.155 0.000 7.697) 8.319 2.621 ( 6.308 0.000 -12.634) 14.121 2.738 ( -5.274 0.000 -6.969) 8.739 2.773 ( -15.079 0.000 1.344) 15.139 3.214 ( 7.275 0.000 -0.419) 7.287 3.389 ( -6.588 0.000 1.104) 6.680 3.528 ( 5.885 0.000 4.397) 7.346 3.658 ( -6.948 0.000 0.393) 6.959 3.784 ( 2.194 0.000 11.062) 11.278 3.815 ( 6.972 0.000 1.473) 7.126 3.916 ( -8.836 0.000 3.041) 9.345 3.922 ( -3.936 0.000 -1.291) 4.142 4.296 ( 4.547 0.000 -8.130) 9.316 4.358 ( -0.738 0.000 -5.892) 5.938 4.659 ( 8.555 0.000 -4.001) 9.445 4.855 ( -11.179 0.000 2.434) 11.441 4.989 ( 5.251 0.000 -12.383) 13.450 5.099 ( -5.868 0.000 -9.249) 10.954 5.655 ( 0.327 0.000 0.142) 0.357 5.671 ( -1.287 0.000 -0.218) 1.305 5.761 ( 0.761 0.000 -0.078) 0.764 5.770 ( -0.053 0.000 -0.275) 0.280 5.793 ( 10.461 0.000 -26.042) 28.065 5.982 ( -8.399 0.000 -19.589) 21.314 6.615 ( 5.445 0.000 2.586) 6.028 6.738 ( -6.400 0.000 2.269) 6.790 7.260 ( 7.309 0.000 4.460) 8.562 7.380 ( -4.452 0.000 6.078) 7.534 7.717 ( 3.292 0.000 2.088) 3.898 7.762 ( -0.227 0.000 4.028) 4.035 7.856 ( 5.143 0.000 0.339) 5.154 7.864 ( 5.085 0.000 -1.251) 5.236 7.900 ( 2.266 0.000 -2.018) 3.035 7.994 ( -6.878 0.000 0.506) 6.897 8.070 ( 4.405 0.000 1.796) 4.758 8.147 ( -0.410 0.000 0.375) 0.556 8.209 ( -5.524 0.000 2.461) 6.048 8.242 ( -9.518 0.000 2.011) 9.728 8.485 ( 3.569 0.000 -6.046) 7.021 8.571 ( -4.828 0.000 -6.386) 8.005 8.652 ( 4.655 0.000 3.533) 5.844 8.754 ( 3.099 0.000 3.159) 4.425 8.781 ( -2.790 0.000 -1.874) 3.361 8.855 ( 4.060 0.000 -0.636) 4.109 8.875 ( -6.292 0.000 -0.459) 6.309 8.892 ( 1.482 0.000 -1.167) 1.886 8.937 ( 1.645 0.000 1.381) 2.148 8.975 ( -1.040 0.000 0.606) 1.203 10.211 ( 5.501 0.000 5.128) 7.520 10.329 ( -6.292 0.000 12.648) 14.127 10.594 ( 11.932 0.000 6.150) 13.424 10.840 ( -10.967 0.000 -7.694) 13.397 11.355 ( 0.014 0.000 0.027) 0.030 11.449 ( -7.516 0.000 0.940) 7.575 11.603 ( 6.579 0.000 -9.550) 11.597 11.800 ( -11.256 0.000 -6.760) 13.129 12.151 ( 3.136 0.000 6.949) 7.624 12.224 ( -4.299 0.000 6.312) 7.637 12.743 ( 3.215 0.000 -5.085) 6.016 12.797 ( -2.299 0.000 -5.208) 5.693 13.394 ( 2.609 0.000 23.163) 23.310 13.442 ( -2.736 0.000 20.176) 20.360 13.860 ( 3.382 0.000 -4.359) 5.517 13.920 ( -2.495 0.000 -7.725) 8.118 14.791 ( 2.536 0.000 19.056) 19.224 14.857 ( -4.712 0.000 12.472) 13.332 15.071 ( 3.772 0.000 18.357) 18.741 15.150 ( -3.021 0.000 15.828) 16.114 15.288 ( 5.520 0.000 3.625) 6.604 15.464 ( -15.685 0.000 33.052) 36.585 16.759 ( 1.101 0.000 1.007) 1.492 16.784 ( -1.506 0.000 0.588) 1.616 16.918 ( 1.301 0.000 -0.512) 1.398 16.939 ( -0.905 0.000 -0.831) 1.228 17.655 ( 19.304 0.000 -26.953) 33.153 18.124 ( -28.105 0.000 -20.547) 34.815 20.352 ( 7.496 0.000 3.029) 8.085 20.507 ( -8.428 0.000 9.199) 12.476 20.791 ( 8.663 0.000 -6.641) 10.915 20.964 ( -10.009 0.000 -4.137) 10.830 23.289 ( 28.661 0.000 13.452) 31.661 23.714 ( -12.132 0.000 8.326) 14.714 24.228 ( 0.329 0.000 0.955) 1.010 24.321 ( -6.156 0.000 -0.739) 6.201 25.545 ( 11.070 0.000 -23.246) 25.747 25.706 ( -6.110 0.000 -21.438) 22.292 26.769 ( 5.143 0.000 -0.414) 5.160 26.833 ( -1.852 0.000 -0.614) 1.951 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 22.934 18.116) 29.226 0.954 ( 0.000 27.541 19.960) 34.013 1.733 ( 0.000 47.119 32.823) 57.424 2.043 ( 0.000 2.958 3.824) 4.834 2.074 ( 0.000 6.172 -5.362) 8.176 2.189 ( 0.000 -4.971 -9.085) 10.356 2.193 ( 0.000 4.465 -5.257) 6.897 2.476 ( 0.000 -8.848 -5.898) 10.633 2.529 ( 0.000 5.653 -16.165) 17.125 2.672 ( 0.000 -3.986 3.316) 5.184 2.879 ( 0.000 3.273 -2.334) 4.020 3.105 ( 0.000 -4.568 -0.750) 4.629 3.315 ( 0.000 8.035 1.360) 8.149 3.339 ( 0.000 0.856 -2.518) 2.659 3.456 ( 0.000 -3.598 23.008) 23.288 3.637 ( 0.000 9.474 3.235) 10.011 3.807 ( 0.000 16.539 1.523) 16.609 4.023 ( 0.000 16.253 1.889) 16.363 4.143 ( 0.000 6.449 0.402) 6.462 4.172 ( 0.000 18.209 -5.379) 18.987 4.248 ( 0.000 13.616 -3.510) 14.061 4.428 ( 0.000 21.062 8.462) 22.699 4.714 ( 0.000 3.756 7.180) 8.103 4.941 ( 0.000 6.153 -11.948) 13.439 5.118 ( 0.000 -3.617 11.856) 12.396 5.285 ( 0.000 8.153 -5.087) 9.610 5.354 ( 0.000 -2.942 -24.586) 24.761 5.817 ( 0.000 3.480 -1.187) 3.677 5.967 ( 0.000 26.801 1.067) 26.822 6.026 ( 0.000 27.207 0.932) 27.223 6.111 ( 0.000 27.494 -1.183) 27.520 6.294 ( 0.000 22.675 -8.490) 24.212 6.448 ( 0.000 -5.700 -2.382) 6.177 6.840 ( 0.000 -2.944 -7.279) 7.852 7.015 ( 0.000 -4.379 10.660) 11.524 7.367 ( 0.000 -4.153 10.606) 11.390 7.412 ( 0.000 -16.098 5.926) 17.154 7.646 ( 0.000 -8.787 -4.070) 9.684 7.833 ( 0.000 -1.456 3.363) 3.665 7.848 ( 0.000 17.686 1.863) 17.784 8.058 ( 0.000 5.747 -5.271) 7.798 8.059 ( 0.000 -26.018 -2.095) 26.102 8.295 ( 0.000 2.360 3.411) 4.148 8.368 ( 0.000 -2.985 -4.031) 5.015 8.411 ( 0.000 7.214 -4.670) 8.594 8.427 ( 0.000 9.914 -2.734) 10.284 8.572 ( 0.000 -5.013 -0.324) 5.024 8.594 ( 0.000 -0.385 0.746) 0.840 8.697 ( 0.000 17.145 0.936) 17.171 8.781 ( 0.000 7.015 4.572) 8.373 8.814 ( 0.000 7.354 -8.455) 11.206 8.970 ( 0.000 12.129 -5.710) 13.406 9.042 ( 0.000 6.158 -3.310) 6.992 9.102 ( 0.000 25.861 -11.270) 28.210 9.256 ( 0.000 17.210 0.080) 17.210 9.724 ( 0.000 58.499 -63.172) 86.098 10.072 ( 0.000 6.728 8.801) 11.078 10.363 ( 0.000 3.272 15.650) 15.988 10.576 ( 0.000 3.237 23.239) 23.463 10.990 ( 0.000 2.040 -20.261) 20.364 11.337 ( 0.000 -1.899 -8.017) 8.239 11.578 ( 0.000 -4.289 1.374) 4.503 11.767 ( 0.000 -5.686 -0.621) 5.720 11.865 ( 0.000 -13.293 1.604) 13.390 12.355 ( 0.000 24.035 6.855) 24.993 12.532 ( 0.000 16.401 5.108) 17.178 12.820 ( 0.000 10.603 -5.571) 11.978 13.082 ( 0.000 3.610 -6.108) 7.095 13.544 ( 0.000 20.061 5.836) 20.893 13.591 ( 0.000 -1.261 -1.488) 1.950 13.889 ( 0.000 -3.717 1.391) 3.968 13.925 ( 0.000 6.045 -13.814) 15.079 14.604 ( 0.000 -11.391 24.472) 26.993 15.147 ( 0.000 12.808 1.227) 12.867 15.203 ( 0.000 10.936 2.730) 11.272 15.237 ( 0.000 5.591 -1.005) 5.681 15.273 ( 0.000 12.960 3.184) 13.345 16.166 ( 0.000 -40.695 -9.141) 41.709 16.611 ( 0.000 -7.232 -13.587) 15.392 16.680 ( 0.000 -22.824 -2.815) 22.997 16.841 ( 0.000 9.375 6.240) 11.262 17.938 ( 0.000 39.108 -24.007) 45.888 19.152 ( 0.000 21.805 -3.804) 22.134 19.193 ( 0.000 49.953 -32.520) 59.606 19.999 ( 0.000 3.768 10.979) 11.608 20.541 ( 0.000 5.079 -4.744) 6.950 21.313 ( 0.000 -3.592 5.515) 6.582 21.490 ( 0.000 -0.022 -2.214) 2.214 22.111 ( 0.000 0.789 12.144) 12.169 22.914 ( 0.000 -29.816 10.444) 31.593 23.881 ( 0.000 -9.321 23.656) 25.426 24.405 ( 0.000 -2.989 -1.779) 3.478 24.508 ( 0.000 0.646 10.885) 10.904 25.713 ( 0.000 -6.537 -22.711) 23.634 26.384 ( 0.000 -8.220 11.853) 14.425 26.671 ( 0.000 -13.154 1.928) 13.294 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -3.653 19.193 24.248) 31.140 1.072 ( 16.874 18.489 14.215) 28.786 1.893 ( -10.660 5.963 -4.308) 12.952 1.971 ( 14.725 29.911 16.635) 37.259 2.020 ( -5.880 5.693 -7.880) 11.361 2.162 ( -4.199 6.360 -2.717) 8.091 2.254 ( 1.004 -0.642 3.982) 4.157 2.376 ( -0.219 -6.100 -3.502) 7.038 2.546 ( -1.376 3.535 -9.699) 10.414 2.685 ( 2.278 0.027 -3.200) 3.928 2.843 ( -3.740 2.058 -3.616) 5.594 3.023 ( -6.609 1.514 -3.309) 7.545 3.202 ( -2.000 0.271 5.128) 5.511 3.345 ( -1.367 2.493 4.329) 5.179 3.656 ( 9.579 1.356 6.088) 11.431 3.751 ( 8.432 4.639 3.978) 10.414 3.845 ( 3.556 11.197 1.894) 11.900 3.947 ( -6.412 12.467 2.844) 14.304 4.100 ( -2.534 16.200 1.802) 16.496 4.136 ( -6.042 22.441 3.234) 23.465 4.276 ( 4.299 8.203 -2.369) 9.560 4.460 ( 2.269 16.118 2.642) 16.490 4.607 ( -6.815 4.320 2.660) 8.496 4.954 ( -0.145 3.763 -6.918) 7.877 5.031 ( -6.747 -0.238 6.056) 9.070 5.254 ( -3.306 8.872 -6.956) 11.749 5.439 ( 7.363 -4.085 -22.104) 23.654 5.802 ( -1.993 2.185 -3.312) 4.440 5.967 ( 0.157 26.205 1.116) 26.229 6.014 ( -0.961 26.082 0.714) 26.109 6.121 ( 0.901 27.889 -3.196) 28.086 6.260 ( -3.264 21.796 -9.582) 24.032 6.475 ( 2.991 -4.145 1.152) 5.239 6.801 ( -3.897 -2.455 -1.532) 4.854 7.074 ( 5.422 -4.690 5.334) 8.936 7.345 ( -1.682 -4.207 9.420) 10.454 7.462 ( 4.038 -17.877 4.011) 18.761 7.657 ( 0.005 -11.892 -1.970) 12.054 7.817 ( -0.560 -6.649 -0.669) 6.706 7.864 ( 1.285 13.750 1.114) 13.855 8.001 ( 1.896 0.544 2.228) 2.976 8.153 ( 1.491 -5.901 -4.582) 7.618 8.250 ( -2.883 -0.902 0.449) 3.054 8.272 ( -7.414 7.615 0.798) 10.658 8.432 ( 2.383 -0.225 -3.878) 4.557 8.492 ( 3.984 10.248 -3.185) 11.447 8.577 ( 0.253 0.848 -0.234) 0.915 8.612 ( 2.751 0.493 0.589) 2.856 8.690 ( -0.728 16.395 -0.142) 16.412 8.814 ( 0.907 1.769 2.465) 3.167 8.853 ( 3.674 11.560 -8.037) 14.550 8.924 ( -3.924 13.283 -4.656) 14.612 9.022 ( -2.531 14.713 -5.426) 15.884 9.096 ( -1.012 20.487 -9.767) 22.718 9.228 ( -2.158 18.700 0.734) 18.838 9.484 ( -17.424 51.092 -30.482) 61.993 10.178 ( 6.830 8.845 -2.974) 11.564 10.390 ( 3.193 2.767 14.488) 15.092 10.533 ( -3.847 3.115 19.236) 19.863 10.968 ( -3.407 0.675 -19.431) 19.739 11.356 ( 0.409 -3.324 -5.170) 6.160 11.465 ( -5.048 -2.067 2.711) 6.091 11.678 ( -9.954 -3.541 -0.489) 10.577 11.832 ( -3.608 -9.003 -1.809) 9.867 12.367 ( 1.226 23.533 6.557) 24.461 12.508 ( -2.345 17.006 4.899) 17.852 12.837 ( 1.649 9.993 -6.111) 11.829 13.046 ( -3.653 6.275 -8.452) 11.142 13.497 ( -1.403 10.577 13.957) 17.568 13.621 ( -1.409 9.194 -4.047) 10.144 13.833 ( -0.791 1.168 2.649) 3.001 13.953 ( 0.338 1.494 -12.189) 12.285 14.650 ( 4.614 -10.281 27.711) 29.915 15.134 ( -0.624 13.491 1.100) 13.550 15.191 ( -3.187 12.485 -0.384) 12.891 15.214 ( -2.163 2.557 10.735) 11.245 15.310 ( 3.685 13.245 0.663) 13.764 16.190 ( -5.533 -31.798 -6.273) 32.879 16.297 ( -31.561 3.378 4.899) 32.117 16.629 ( -4.978 -23.991 -2.747) 24.656 16.859 ( 1.658 8.621 6.446) 10.892 17.445 ( -61.951 50.711 46.786) 92.728 18.013 ( 5.156 39.501 -22.037) 45.525 18.993 ( -21.495 25.127 -9.538) 34.415 20.258 ( 9.166 5.968 -1.572) 11.050 20.646 ( 7.021 4.270 -3.704) 9.014 20.767 ( -12.701 4.885 13.890) 19.445 21.246 ( -16.151 2.008 -2.889) 16.529 22.665 ( 32.415 -0.084 9.989) 33.919 23.652 ( 12.202 -8.988 -6.952) 16.674 24.270 ( 5.378 -12.133 -0.903) 13.302 24.376 ( -2.529 -3.299 -1.728) 4.502 24.726 ( 41.051 -26.920 -6.308) 49.494 25.691 ( -2.805 -8.151 -22.282) 23.891 26.454 ( 6.507 -12.983 8.745) 16.953 26.670 ( -0.243 -13.698 1.815) 13.820 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 25.140 0.190 9.175) 26.763 1.451 ( 18.386 5.703 9.955) 21.672 1.565 ( -23.023 -0.488 -4.684) 23.500 1.818 ( -17.385 -3.968 0.215) 17.834 1.968 ( 2.596 9.137 -9.309) 13.299 2.107 ( -9.715 4.663 0.496) 10.787 2.426 ( 15.852 21.752 10.184) 28.778 2.490 ( 8.098 1.080 -1.415) 8.291 2.616 ( 6.327 3.004 -8.242) 10.816 2.666 ( -3.949 2.944 0.612) 4.964 2.747 ( -4.563 2.128 -5.125) 7.184 2.882 ( -9.788 8.136 -0.860) 12.757 3.224 ( 3.724 2.291 0.143) 4.375 3.300 ( -2.952 0.043 1.521) 3.321 3.795 ( -1.960 12.234 4.560) 13.202 3.805 ( 4.940 5.137 4.107) 8.226 3.826 ( -3.814 11.094 6.799) 13.559 3.891 ( -1.150 2.963 0.997) 3.331 4.031 ( -0.464 23.728 7.150) 24.786 4.068 ( -2.610 16.793 1.286) 17.044 4.377 ( 5.824 7.924 -1.006) 9.886 4.466 ( -2.575 12.146 -0.856) 12.445 4.603 ( 6.600 -0.084 1.844) 6.853 4.793 ( -11.573 -3.337 7.377) 14.125 5.049 ( 5.175 8.253 -12.520) 15.863 5.164 ( -5.733 9.645 -10.862) 15.616 5.592 ( 7.711 -4.425 -15.896) 18.213 5.726 ( -5.711 -1.823 -8.565) 10.454 5.977 ( 0.788 25.064 0.692) 25.086 5.994 ( -0.974 24.886 0.544) 24.911 6.145 ( 1.609 27.191 -6.521) 28.009 6.191 ( -3.216 24.769 -8.954) 26.533 6.566 ( 6.201 -2.936 4.360) 8.129 6.696 ( -6.523 -2.328 3.440) 7.734 7.191 ( 5.880 -6.062 1.675) 8.610 7.290 ( -4.114 -6.060 3.870) 8.284 7.547 ( 4.276 -17.895 2.927) 18.630 7.620 ( -3.168 -16.882 1.635) 17.254 7.875 ( 6.454 -9.332 -1.083) 11.397 7.933 ( 4.734 12.449 1.424) 13.394 8.014 ( -2.672 -2.572 1.196) 3.897 8.079 ( -7.132 8.523 0.082) 11.113 8.186 ( -0.342 6.493 -2.192) 6.861 8.213 ( -1.904 5.449 -2.550) 6.310 8.486 ( 4.067 1.148 2.698) 5.014 8.544 ( 0.160 5.128 2.001) 5.507 8.630 ( 3.232 -0.433 -1.204) 3.476 8.662 ( 1.033 3.929 0.541) 4.098 8.704 ( 3.579 24.447 -3.304) 24.928 8.765 ( -1.751 14.250 -5.667) 15.436 8.816 ( -5.276 15.312 -6.010) 17.274 8.881 ( -8.603 27.738 -10.520) 30.888 8.984 ( 4.453 9.433 -0.473) 10.442 9.063 ( -2.753 11.319 -0.990) 11.691 9.203 ( 0.441 20.871 -1.008) 20.900 9.255 ( -5.361 25.657 -4.265) 26.556 10.285 ( 4.760 7.503 3.806) 9.666 10.388 ( -5.347 5.948 12.906) 15.183 10.576 ( 10.503 -1.612 4.411) 11.505 10.813 ( -11.877 -2.698 -8.416) 14.804 11.346 ( 2.370 0.367 -1.189) 2.677 11.458 ( -7.210 1.681 0.653) 7.432 11.537 ( 5.608 -3.833 -7.122) 9.842 11.702 ( -8.961 -5.925 -5.137) 11.908 12.402 ( 2.256 21.871 5.860) 22.754 12.453 ( -2.915 19.210 5.150) 20.101 12.883 ( 3.097 9.071 -7.505) 12.174 12.958 ( -4.592 8.746 -9.101) 13.432 13.504 ( 1.780 8.393 17.038) 19.076 13.556 ( -3.438 9.446 11.912) 15.587 13.874 ( 3.343 2.092 -6.111) 7.273 13.932 ( -2.282 1.670 -10.769) 11.134 14.783 ( 9.215 -5.628 34.252) 35.914 15.015 ( -13.706 3.671 30.526) 33.663 15.136 ( 0.846 12.277 2.633) 12.584 15.166 ( -2.085 8.540 5.946) 10.613 15.407 ( 6.121 15.186 -0.050) 16.373 15.594 ( -17.111 20.711 11.311) 29.149 16.338 ( 7.717 -34.783 -5.362) 36.030 16.498 ( -8.059 -29.088 -3.548) 30.392 16.902 ( 2.796 9.454 8.290) 12.881 16.986 ( -7.103 15.076 15.327) 22.642 18.201 ( 13.700 36.953 -21.685) 44.983 18.548 ( -21.574 31.950 -16.963) 42.119 20.403 ( 7.170 5.121 3.392) 9.441 20.553 ( -8.091 4.514 9.284) 13.116 20.838 ( 8.178 4.779 -6.615) 11.553 21.001 ( -9.363 3.761 -4.111) 10.896 23.267 ( 27.662 -2.129 11.912) 30.193 23.668 ( -10.778 -4.718 6.836) 13.607 24.211 ( -0.202 -1.861 1.062) 2.152 24.290 ( -5.718 -2.991 -0.782) 6.500 25.336 ( 18.943 -20.197 -19.680) 33.971 25.585 ( -8.377 -11.633 -19.942) 24.560 26.582 ( 5.395 -16.753 3.659) 17.977 26.651 ( -1.935 -15.311 1.984) 15.560 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 25.906 -1.075) 25.928 1.514 ( 0.000 26.299 8.285) 27.574 2.094 ( 0.000 -0.740 -6.812) 6.852 2.154 ( 0.000 5.066 -1.734) 5.355 2.158 ( 0.000 4.806 -1.276) 4.972 2.281 ( 0.000 1.117 -1.555) 1.914 2.360 ( 0.000 4.010 -0.411) 4.031 2.570 ( 0.000 -5.441 5.910) 8.034 2.641 ( 0.000 34.352 12.314) 36.493 2.664 ( 0.000 7.110 -11.344) 13.388 2.963 ( 0.000 5.665 -4.014) 6.943 3.068 ( 0.000 1.289 6.143) 6.277 3.416 ( 0.000 6.567 -0.683) 6.602 3.490 ( 0.000 7.674 15.683) 17.460 3.588 ( 0.000 17.206 0.595) 17.216 3.839 ( 0.000 10.837 -3.433) 11.368 4.063 ( 0.000 12.315 -4.988) 13.287 4.152 ( 0.000 4.962 6.148) 7.901 4.475 ( 0.000 12.793 -6.975) 14.571 4.568 ( 0.000 23.050 7.773) 24.326 4.669 ( 0.000 20.726 -3.695) 21.053 4.763 ( 0.000 20.403 0.365) 20.406 5.045 ( 0.000 12.168 5.636) 13.410 5.075 ( 0.000 6.122 -16.228) 17.344 5.209 ( 0.000 25.816 14.383) 29.552 5.398 ( 0.000 6.706 -13.154) 14.765 5.606 ( 0.000 23.065 -1.889) 23.142 5.832 ( 0.000 0.068 -4.593) 4.594 6.233 ( 0.000 -6.826 2.249) 7.187 6.551 ( 0.000 22.634 -4.992) 23.178 6.671 ( 0.000 32.062 2.424) 32.154 6.676 ( 0.000 18.805 -1.619) 18.874 6.751 ( 0.000 0.390 -2.223) 2.257 6.891 ( 0.000 17.352 4.942) 18.042 6.991 ( 0.000 15.010 -0.275) 15.013 7.039 ( 0.000 -18.980 6.938) 20.208 7.336 ( 0.000 4.568 11.008) 11.918 7.550 ( 0.000 -21.279 3.977) 21.648 7.552 ( 0.000 3.235 -5.426) 6.317 7.828 ( 0.000 1.176 -0.437) 1.255 8.145 ( 0.000 4.759 -2.759) 5.501 8.151 ( 0.000 1.981 2.266) 3.010 8.324 ( 0.000 3.153 2.899) 4.284 8.360 ( 0.000 8.362 8.394) 11.848 8.462 ( 0.000 -0.135 -4.495) 4.497 8.463 ( 0.000 -3.358 -2.151) 3.988 8.717 ( 0.000 17.564 -3.695) 17.948 8.717 ( 0.000 9.074 0.912) 9.119 8.879 ( 0.000 8.379 4.275) 9.407 9.029 ( 0.000 13.248 -14.807) 19.869 9.040 ( 0.000 14.328 2.152) 14.489 9.179 ( 0.000 10.483 -2.049) 10.682 9.272 ( 0.000 15.017 -8.599) 17.304 9.574 ( 0.000 15.400 2.317) 15.573 9.659 ( 0.000 28.318 -14.418) 31.777 10.251 ( 0.000 10.303 6.762) 12.324 10.350 ( 0.000 13.036 -36.229) 38.503 10.465 ( 0.000 7.782 15.846) 17.654 10.690 ( 0.000 7.884 21.707) 23.095 11.051 ( 0.000 2.521 -21.548) 21.695 11.351 ( 0.000 4.313 -8.344) 9.393 11.494 ( 0.000 -3.069 -0.228) 3.077 11.648 ( 0.000 -5.880 0.457) 5.898 11.768 ( 0.000 0.603 0.882) 1.069 12.869 ( 0.000 23.837 3.081) 24.035 12.913 ( 0.000 20.174 0.798) 20.189 12.946 ( 0.000 1.805 -2.780) 3.314 13.097 ( 0.000 0.451 2.799) 2.835 13.555 ( 0.000 -1.907 0.571) 1.990 13.799 ( 0.000 -4.521 2.105) 4.987 13.899 ( 0.000 12.040 -4.397) 12.818 13.954 ( 0.000 -1.626 -9.861) 9.994 14.367 ( 0.000 -9.166 21.420) 23.299 15.239 ( 0.000 -3.769 14.472) 14.955 15.374 ( 0.000 4.462 0.653) 4.509 15.430 ( 0.000 -14.589 -1.083) 14.629 15.526 ( 0.000 8.917 -0.601) 8.937 15.810 ( 0.000 40.732 -6.216) 41.204 16.276 ( 0.000 -13.344 -4.387) 14.046 16.662 ( 0.000 8.127 -23.899) 25.243 17.066 ( 0.000 13.473 17.116) 21.782 18.635 ( 0.000 30.997 -25.767) 40.308 19.573 ( 0.000 18.541 0.008) 18.541 19.894 ( 0.000 23.054 -29.099) 37.125 20.126 ( 0.000 9.268 11.589) 14.839 20.673 ( 0.000 7.875 -4.539) 9.090 21.193 ( 0.000 -8.022 13.813) 15.974 21.484 ( 0.000 -0.652 -1.802) 1.917 22.152 ( 0.000 3.782 8.262) 9.086 22.551 ( 0.000 -6.698 11.265) 13.106 23.756 ( 0.000 -5.493 15.483) 16.428 24.325 ( 0.000 -5.017 -2.354) 5.542 24.535 ( 0.000 2.096 8.428) 8.685 25.534 ( 0.000 -11.223 -18.922) 22.000 26.172 ( 0.000 -12.557 9.115) 15.516 26.379 ( 0.000 -16.538 0.545) 16.547 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -10.775 25.744 7.876) 28.998 1.537 ( 6.157 24.291 4.062) 25.387 1.979 ( -15.251 0.042 -3.719) 15.698 2.093 ( -4.795 6.243 -2.807) 8.358 2.136 ( -2.026 3.703 -0.393) 4.239 2.227 ( -3.923 0.886 -0.008) 4.022 2.371 ( 5.241 4.781 -2.110) 7.401 2.607 ( 1.388 -0.506 -1.471) 2.084 2.681 ( 2.475 15.633 1.856) 15.936 2.732 ( 4.722 11.193 -3.105) 12.539 2.900 ( -4.896 6.781 -4.341) 9.424 3.039 ( -2.110 2.391 4.750) 5.721 3.341 ( -0.650 10.171 2.082) 10.402 3.519 ( -2.329 17.642 3.282) 18.095 3.747 ( 12.263 8.527 4.705) 15.660 3.884 ( 4.712 6.894 2.596) 8.745 4.076 ( 0.947 12.371 -4.803) 13.305 4.095 ( -5.004 6.965 6.974) 11.054 4.440 ( -4.186 9.990 -1.007) 10.878 4.587 ( 2.667 20.384 3.620) 20.874 4.623 ( -4.294 17.820 -1.939) 18.432 4.764 ( 0.919 25.099 0.921) 25.133 4.952 ( -6.882 11.917 3.027) 14.091 5.107 ( -7.698 28.629 12.842) 32.308 5.154 ( 4.581 8.182 -13.222) 16.210 5.444 ( 2.983 4.876 -11.467) 12.812 5.607 ( 0.253 23.547 -4.721) 24.017 5.806 ( -2.733 1.722 -4.517) 5.553 6.281 ( 4.459 -4.640 0.700) 6.473 6.517 ( -2.875 16.125 -4.336) 16.943 6.649 ( -0.820 21.847 0.695) 21.874 6.669 ( -0.756 30.814 2.087) 30.894 6.779 ( 1.370 14.659 0.131) 14.723 6.911 ( 1.785 3.507 -0.070) 3.935 6.972 ( -1.701 14.074 -0.593) 14.189 7.092 ( 4.715 -15.940 7.260) 18.139 7.289 ( -6.481 1.766 3.940) 7.787 7.408 ( -5.354 -10.352 8.033) 14.155 7.647 ( 5.066 -1.692 -3.840) 6.578 7.891 ( 4.227 -2.105 0.214) 4.727 8.102 ( -2.468 -0.077 0.242) 2.481 8.185 ( 2.284 5.341 3.397) 6.729 8.287 ( -0.790 7.658 0.118) 7.699 8.435 ( 1.771 3.851 -0.030) 4.239 8.450 ( 1.102 0.176 2.796) 3.011 8.513 ( 2.660 2.961 -0.756) 4.052 8.633 ( -3.417 7.838 -0.201) 8.553 8.735 ( -0.882 7.456 5.692) 9.422 8.919 ( 3.480 13.026 -8.945) 16.180 9.045 ( 2.957 13.283 -5.480) 14.670 9.120 ( 6.167 15.654 -1.689) 16.909 9.199 ( 1.167 13.609 -3.105) 14.008 9.257 ( -0.619 15.108 -6.972) 16.650 9.522 ( -4.637 16.046 -0.828) 16.723 9.666 ( 0.382 27.254 -11.389) 29.540 10.117 ( -12.139 16.596 -10.490) 23.083 10.399 ( 4.025 9.605 -15.989) 19.081 10.474 ( 1.017 6.967 14.737) 16.332 10.646 ( -4.040 8.049 19.430) 21.416 10.968 ( -9.004 -1.616 -17.640) 19.871 11.374 ( 1.771 6.064 -7.268) 9.629 11.424 ( -1.535 -1.275 0.538) 2.067 11.667 ( -2.221 -1.037 -3.869) 4.581 11.716 ( -4.274 -1.049 0.176) 4.405 12.849 ( -2.599 13.476 0.455) 13.732 12.870 ( -0.599 21.890 2.389) 22.028 12.999 ( 2.397 9.492 -2.600) 10.129 13.088 ( -1.026 1.106 0.547) 1.605 13.556 ( 0.468 -0.573 3.400) 3.479 13.742 ( -4.657 -1.644 3.381) 5.985 13.920 ( 1.390 6.994 -5.782) 9.180 13.959 ( 0.230 -1.143 -10.381) 10.446 14.430 ( 6.500 -8.401 23.606) 25.886 15.145 ( -9.472 -5.885 17.849) 21.046 15.388 ( 1.099 6.540 1.563) 6.813 15.437 ( 0.155 -3.857 1.304) 4.075 15.579 ( 5.873 -1.796 -4.009) 7.334 15.861 ( 5.023 40.242 -7.674) 41.274 16.208 ( -6.772 -12.700 -4.137) 14.975 16.582 ( -8.946 14.466 -26.123) 31.172 17.088 ( 2.406 14.432 18.715) 23.756 18.439 ( -68.188 43.386 20.059) 83.272 18.734 ( -3.731 32.799 -16.810) 37.045 19.468 ( -15.217 20.889 -4.246) 26.190 20.424 ( 7.535 10.357 -2.411) 13.033 20.757 ( 3.531 6.704 -1.829) 7.795 20.898 ( -6.481 7.743 9.674) 13.983 21.301 ( -12.578 3.372 -2.583) 13.276 22.673 ( 28.937 1.103 4.981) 29.383 23.308 ( 38.038 -24.028 -9.505) 45.985 23.906 ( 18.355 -14.897 11.712) 26.382 24.293 ( -3.255 -5.296 -1.920) 6.506 24.526 ( 3.099 -0.522 7.880) 8.483 25.479 ( -5.934 -12.889 -17.968) 22.895 26.186 ( 1.643 -13.882 8.168) 16.190 26.362 ( -1.751 -17.216 0.939) 17.331 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 8.043 17.168 13.018) 22.998 1.555 ( -23.521 3.689 8.046) 25.131 1.711 ( 9.442 16.014 -0.654) 18.602 1.912 ( -10.518 9.729 -1.792) 14.439 2.162 ( 2.775 8.073 -2.101) 8.791 2.207 ( -0.927 3.945 -2.063) 4.547 2.498 ( 8.025 0.795 -7.898) 11.287 2.629 ( 1.242 5.828 -3.669) 6.998 2.682 ( -5.836 -0.381 -4.731) 7.522 2.703 ( -3.215 6.114 -2.403) 7.314 2.915 ( 5.197 9.826 -1.403) 11.204 2.995 ( -2.765 4.273 0.701) 5.138 3.375 ( 3.247 12.455 -0.809) 12.897 3.449 ( -4.055 13.972 -1.485) 14.624 3.944 ( 4.536 9.105 14.356) 17.594 3.972 ( 5.336 9.127 -1.846) 10.733 4.003 ( -3.187 9.868 8.805) 13.604 4.068 ( -2.504 12.412 -4.998) 13.613 4.395 ( 2.188 6.599 4.225) 8.136 4.506 ( -7.181 11.607 5.606) 14.755 4.671 ( 5.796 18.547 2.373) 19.576 4.799 ( -3.293 17.774 1.919) 18.178 4.827 ( 0.081 26.418 3.366) 26.631 4.934 ( -7.914 28.611 9.592) 31.197 5.285 ( 8.024 12.281 -14.842) 20.868 5.429 ( -5.249 9.212 -11.897) 15.936 5.647 ( 3.944 15.109 -6.852) 17.052 5.733 ( -4.426 6.920 -4.521) 9.376 6.378 ( 4.836 1.037 -2.097) 5.372 6.457 ( -3.334 8.904 -3.469) 10.121 6.647 ( 0.346 24.949 2.506) 25.077 6.656 ( -0.539 27.444 2.422) 27.555 6.814 ( 3.304 25.740 2.308) 26.054 6.903 ( -4.289 26.353 -0.790) 26.712 6.974 ( 3.417 -15.904 -1.483) 16.334 7.074 ( -6.839 -16.979 -1.312) 18.352 7.251 ( 4.830 -6.061 7.780) 10.981 7.338 ( -3.569 -5.890 9.775) 11.957 7.771 ( 7.401 0.482 -5.159) 9.035 7.899 ( -4.309 -2.294 -4.334) 6.528 8.105 ( 3.210 0.643 2.798) 4.307 8.181 ( -3.411 2.960 4.050) 6.066 8.323 ( 4.802 10.032 1.682) 11.248 8.422 ( -3.997 11.632 3.486) 12.784 8.485 ( 2.470 0.172 1.190) 2.747 8.515 ( -0.530 -2.172 -0.781) 2.368 8.631 ( 2.010 3.098 2.459) 4.437 8.692 ( -3.445 4.012 7.280) 8.999 9.014 ( 5.879 15.528 -13.461) 21.375 9.103 ( -1.070 12.162 -8.598) 14.933 9.193 ( 3.177 17.768 -6.400) 19.151 9.236 ( 1.804 16.655 -0.377) 16.757 9.298 ( 4.958 18.117 -0.729) 18.797 9.415 ( -6.057 16.214 -2.083) 17.433 9.686 ( 2.912 26.329 -10.101) 28.350 9.843 ( -13.331 24.005 -11.703) 29.848 10.479 ( 3.275 10.929 3.013) 11.800 10.539 ( 5.203 3.394 6.960) 9.329 10.558 ( -2.431 5.920 10.190) 12.032 10.742 ( -12.198 -3.869 -9.146) 15.729 11.426 ( 4.600 7.793 -5.101) 10.388 11.481 ( 5.271 -1.033 -1.957) 5.717 11.553 ( -6.799 6.458 -5.801) 11.026 11.615 ( -6.577 -3.027 -3.884) 8.216 12.827 ( 0.478 14.074 0.634) 14.097 12.852 ( -1.440 18.901 1.661) 19.028 13.031 ( 1.194 8.414 -3.585) 9.224 13.058 ( -1.724 4.357 -3.047) 5.589 13.585 ( 2.529 0.775 7.092) 7.569 13.651 ( -4.198 0.490 6.889) 8.083 13.942 ( 0.903 1.937 -7.935) 8.218 13.956 ( -0.514 -0.343 -9.715) 9.734 14.616 ( 12.338 -7.175 26.239) 29.869 14.892 ( -15.085 -7.269 24.732) 29.868 15.410 ( 1.094 7.593 2.253) 7.995 15.429 ( -0.804 5.499 2.478) 6.085 15.749 ( 10.846 -8.014 -6.496) 14.968 15.944 ( -3.908 10.722 -10.736) 15.668 16.088 ( 2.722 18.026 -5.487) 19.038 16.317 ( -15.821 33.079 -19.705) 41.627 17.174 ( 7.261 19.029 24.736) 32.042 17.458 ( -26.684 34.367 37.012) 57.123 18.875 ( 11.305 30.068 -20.915) 38.332 19.147 ( -16.194 26.890 -14.072) 34.399 20.543 ( 6.149 8.741 3.885) 11.371 20.674 ( -7.004 7.528 8.625) 13.421 20.973 ( 6.952 8.526 -5.751) 12.414 21.108 ( -7.491 6.847 -3.815) 10.842 23.209 ( 24.181 -3.652 7.872) 25.691 23.528 ( -6.086 -9.495 3.188) 11.720 24.130 ( 2.611 -7.554 0.931) 8.047 24.205 ( -5.144 -5.728 -0.834) 7.744 24.882 ( 26.131 -21.074 -7.314) 34.358 25.284 ( -14.731 -17.633 -14.844) 27.354 26.238 ( 3.543 -16.761 5.329) 17.941 26.310 ( -3.442 -18.049 2.462) 18.538 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 17.546 -7.377) 19.033 1.843 ( 0.000 5.616 -3.708) 6.729 2.144 ( 0.000 -4.196 -1.639) 4.505 2.159 ( 0.000 5.462 -0.667) 5.502 2.267 ( 0.000 6.309 -1.835) 6.570 2.290 ( 0.000 1.443 0.704) 1.606 2.502 ( 0.000 0.443 7.911) 7.923 2.537 ( 0.000 9.113 4.748) 10.276 2.765 ( 0.000 2.524 -4.598) 5.246 3.040 ( 0.000 8.021 -6.002) 10.018 3.199 ( 0.000 12.380 4.354) 13.123 3.232 ( 0.000 21.434 2.710) 21.604 3.595 ( 0.000 12.182 3.342) 12.632 3.642 ( 0.000 6.398 5.002) 8.121 3.932 ( 0.000 14.877 14.635) 20.869 4.124 ( 0.000 20.785 -13.807) 24.953 4.320 ( 0.000 13.309 -10.026) 16.662 4.366 ( 0.000 15.947 5.612) 16.906 4.713 ( 0.000 11.789 -4.053) 12.466 4.841 ( 0.000 13.084 7.717) 15.190 4.943 ( 0.000 8.394 -9.878) 12.963 5.178 ( 0.000 6.871 6.052) 9.156 5.186 ( 0.000 5.825 -14.105) 15.260 5.437 ( 0.000 36.303 2.324) 36.378 5.455 ( 0.000 -1.684 -4.613) 4.911 5.762 ( 0.000 16.549 5.548) 17.454 5.791 ( 0.000 -6.579 3.564) 7.483 6.072 ( 0.000 20.104 1.449) 20.156 6.262 ( 0.000 7.554 -5.736) 9.485 6.487 ( 0.000 -5.248 -3.674) 6.406 6.656 ( 0.000 -13.682 4.555) 14.421 6.746 ( 0.000 -2.935 9.024) 9.489 6.884 ( 0.000 -6.548 0.145) 6.549 7.063 ( 0.000 13.976 -0.162) 13.977 7.208 ( 0.000 -0.860 18.050) 18.070 7.300 ( 0.000 25.181 3.478) 25.420 7.501 ( 0.000 18.923 1.649) 18.995 7.778 ( 0.000 9.070 -4.330) 10.050 7.797 ( 0.000 27.605 1.387) 27.640 7.911 ( 0.000 11.105 -5.455) 12.372 8.100 ( 0.000 -3.661 3.176) 4.847 8.149 ( 0.000 -1.549 5.977) 6.175 8.381 ( 0.000 6.320 5.239) 8.209 8.424 ( 0.000 1.206 -1.761) 2.134 8.601 ( 0.000 14.083 -4.439) 14.766 8.695 ( 0.000 20.017 4.080) 20.429 8.796 ( 0.000 0.789 10.005) 10.036 9.082 ( 0.000 18.518 -10.936) 21.506 9.141 ( 0.000 16.391 -5.217) 17.202 9.298 ( 0.000 13.211 -11.982) 17.836 9.320 ( 0.000 14.581 3.190) 14.926 9.424 ( 0.000 14.842 -0.835) 14.865 9.584 ( 0.000 16.194 -14.661) 21.845 9.872 ( 0.000 15.026 2.553) 15.241 10.126 ( 0.000 17.324 -23.372) 29.092 10.427 ( 0.000 7.560 4.441) 8.768 10.493 ( 0.000 5.984 -14.467) 15.656 10.699 ( 0.000 15.222 17.107) 22.899 10.855 ( 0.000 8.285 19.382) 21.079 11.043 ( 0.000 -2.321 -15.011) 15.189 11.388 ( 0.000 -0.964 1.329) 1.642 11.552 ( 0.000 -3.664 1.989) 4.169 11.561 ( 0.000 7.147 -10.187) 12.444 11.788 ( 0.000 -0.259 -1.993) 2.010 12.926 ( 0.000 -2.787 -1.437) 3.136 13.138 ( 0.000 3.684 0.167) 3.687 13.169 ( 0.000 2.043 -4.966) 5.369 13.174 ( 0.000 4.902 -2.457) 5.483 13.610 ( 0.000 11.352 5.436) 12.586 13.775 ( 0.000 4.054 3.486) 5.347 13.864 ( 0.000 -5.232 3.584) 6.342 14.024 ( 0.000 3.906 -0.143) 3.908 14.358 ( 0.000 7.327 8.861) 11.497 15.031 ( 0.000 -11.301 -4.982) 12.350 15.200 ( 0.000 1.207 6.144) 6.261 15.418 ( 0.000 -3.257 2.310) 3.993 15.947 ( 0.000 22.434 5.188) 23.026 16.291 ( 0.000 13.237 -1.483) 13.320 16.576 ( 0.000 27.240 -17.768) 32.523 16.832 ( 0.000 8.412 -14.974) 17.175 17.473 ( 0.000 32.524 27.290) 42.457 19.149 ( 0.000 21.455 -25.680) 33.463 19.854 ( 0.000 10.489 3.908) 11.193 20.170 ( 0.000 6.020 -17.665) 18.662 20.341 ( 0.000 11.428 9.945) 15.150 20.827 ( 0.000 7.200 -3.763) 8.124 21.052 ( 0.000 -4.844 15.306) 16.054 21.461 ( 0.000 -1.778 -2.222) 2.846 22.263 ( 0.000 7.306 4.921) 8.809 22.569 ( 0.000 6.274 0.745) 6.318 23.633 ( 0.000 -7.143 13.036) 14.864 24.211 ( 0.000 -6.669 -2.985) 7.306 24.590 ( 0.000 3.514 5.879) 6.849 25.292 ( 0.000 -12.822 -12.841) 18.147 25.916 ( 0.000 -12.997 5.001) 13.926 26.032 ( 0.000 -18.240 0.228) 18.242 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -8.693 15.025 -2.292) 17.509 1.911 ( 3.067 11.427 -1.969) 11.994 1.979 ( -11.617 0.745 0.422) 11.648 2.201 ( -1.865 6.705 -0.053) 6.960 2.242 ( -1.340 4.920 -1.703) 5.376 2.247 ( -1.907 0.714 2.240) 3.027 2.458 ( 0.797 3.083 -2.195) 3.868 2.637 ( 5.094 4.564 4.923) 8.427 2.786 ( 0.707 1.436 -5.373) 5.607 2.938 ( -6.765 9.920 -3.880) 12.619 3.142 ( -5.106 13.342 3.015) 14.600 3.188 ( -2.319 12.326 2.959) 12.887 3.562 ( 1.906 12.976 -1.312) 13.181 3.903 ( 10.070 7.589 1.916) 12.754 3.968 ( 4.218 22.919 7.470) 24.471 4.054 ( -1.193 12.627 -2.027) 12.844 4.297 ( -3.326 12.650 1.450) 13.160 4.352 ( 0.003 14.883 -3.553) 15.301 4.625 ( -7.647 10.486 -1.030) 13.020 4.807 ( -5.395 8.285 -3.616) 10.527 4.919 ( -0.672 12.822 6.906) 14.579 5.117 ( -3.233 8.539 -1.828) 9.312 5.250 ( 3.268 5.690 -12.505) 14.122 5.433 ( -0.088 14.291 -5.019) 15.147 5.530 ( 5.376 19.904 1.882) 20.703 5.703 ( -3.763 17.411 6.250) 18.878 5.843 ( 4.593 -0.791 2.105) 5.114 6.074 ( -0.570 19.991 1.558) 20.059 6.331 ( 5.994 8.283 -4.554) 11.193 6.506 ( 2.228 -2.841 -4.767) 5.980 6.630 ( -1.692 -8.214 3.689) 9.162 6.751 ( -4.709 -18.682 1.034) 19.294 6.848 ( 1.809 3.220 7.231) 8.119 7.062 ( -1.973 7.372 8.916) 11.736 7.203 ( 1.288 12.673 5.307) 13.800 7.312 ( 1.122 18.625 6.727) 19.835 7.501 ( -0.731 17.378 1.083) 17.427 7.658 ( -8.443 18.120 0.650) 20.001 7.839 ( 1.957 14.971 -4.681) 15.808 7.923 ( 0.965 4.834 -3.461) 6.023 8.128 ( 3.128 6.658 4.143) 8.443 8.205 ( 4.530 -1.819 5.446) 7.313 8.364 ( 0.348 2.338 1.812) 2.979 8.471 ( 2.015 4.147 0.918) 4.701 8.556 ( -3.615 12.321 -2.551) 13.091 8.745 ( 2.804 14.634 3.421) 15.288 8.759 ( -2.719 5.067 9.035) 10.710 8.960 ( -6.370 16.687 -0.526) 17.870 9.205 ( 4.065 13.893 -13.876) 20.052 9.302 ( 1.064 14.253 -9.733) 17.292 9.451 ( 8.855 16.839 -4.973) 19.664 9.484 ( 4.864 16.368 0.828) 17.096 9.582 ( 1.062 16.611 -10.555) 19.710 9.800 ( -6.315 12.627 0.218) 14.120 10.137 ( 0.299 18.653 -19.735) 27.157 10.335 ( -7.329 8.455 -2.833) 11.543 10.536 ( 2.285 6.762 -8.147) 10.831 10.691 ( -0.622 13.818 16.236) 21.329 10.807 ( -4.442 6.377 14.534) 16.482 10.935 ( -9.311 1.005 -6.355) 11.318 11.391 ( 1.761 -0.953 -0.377) 2.038 11.545 ( 0.617 5.581 -4.812) 7.395 11.602 ( 0.898 -1.860 -5.251) 5.643 11.756 ( -3.134 1.057 -2.960) 4.439 12.921 ( 0.017 -0.746 -1.898) 2.040 13.102 ( -3.245 3.762 -1.249) 5.123 13.170 ( -0.058 0.386 -4.940) 4.955 13.177 ( 0.058 3.790 -2.341) 4.455 13.627 ( 1.693 11.153 5.806) 12.688 13.755 ( -1.793 5.800 4.493) 7.553 13.877 ( 1.142 -4.453 3.170) 5.584 13.999 ( -2.250 2.926 0.283) 3.702 14.418 ( 6.010 6.427 9.710) 13.104 15.066 ( -3.660 -4.637 0.541) 5.932 15.116 ( -0.901 -5.232 3.076) 6.136 15.410 ( -1.304 -4.384 1.439) 4.795 15.967 ( 2.028 22.564 4.530) 23.103 16.243 ( -4.652 14.981 -1.169) 15.730 16.608 ( 3.024 24.966 -18.096) 30.983 16.814 ( -1.850 9.538 -15.947) 18.674 17.534 ( 6.607 34.734 27.980) 45.088 19.108 ( -32.577 26.160 -4.323) 42.004 19.273 ( -18.359 21.535 -6.927) 29.134 19.795 ( -9.542 12.642 0.131) 15.840 20.633 ( 6.455 10.141 -2.422) 12.263 20.891 ( 1.421 6.451 -0.501) 6.625 21.035 ( 2.833 5.347 6.328) 8.756 21.364 ( -7.122 2.520 -2.298) 7.896 22.708 ( 25.361 1.744 -0.985) 25.440 22.909 ( 32.796 -13.201 -0.715) 35.360 23.683 ( 5.993 -9.810 12.213) 16.772 24.168 ( -4.282 -7.462 -2.529) 8.967 24.560 ( -1.716 3.302 5.469) 6.615 25.210 ( -8.568 -13.708 -11.544) 19.864 25.917 ( 0.225 -13.345 4.243) 14.005 26.013 ( -1.831 -17.808 0.470) 17.909 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.227 16.540 5.209) 17.384 1.697 ( -13.119 8.674 7.905) 17.602 2.005 ( 4.918 11.749 -2.405) 12.962 2.108 ( -5.463 9.648 0.572) 11.102 2.237 ( 0.957 1.774 -2.685) 3.357 2.252 ( 0.062 -0.148 -2.353) 2.358 2.520 ( 5.040 1.612 -7.511) 9.188 2.640 ( -6.112 -0.009 -5.350) 8.123 2.802 ( 4.534 8.439 -0.952) 9.627 2.886 ( -2.075 9.769 0.787) 10.017 3.071 ( -0.372 8.495 0.876) 8.548 3.125 ( -4.008 8.924 0.770) 9.813 3.641 ( 6.018 15.118 -3.880) 16.728 3.791 ( -8.998 18.478 -5.425) 21.256 4.108 ( 6.230 8.942 7.152) 13.035 4.199 ( 0.455 11.779 4.974) 12.794 4.251 ( 4.541 14.898 5.309) 16.455 4.338 ( -2.513 14.154 -3.039) 14.693 4.520 ( -0.026 7.724 1.838) 7.940 4.635 ( -9.613 5.994 3.076) 11.738 4.954 ( 3.388 12.806 4.582) 14.017 5.037 ( -4.776 10.103 -0.565) 11.189 5.316 ( 3.819 6.847 -12.364) 14.640 5.395 ( -3.711 8.028 -9.107) 12.695 5.625 ( 3.633 23.238 4.157) 23.884 5.664 ( -0.895 20.463 6.113) 21.375 5.948 ( 5.558 10.402 -1.451) 11.883 6.038 ( -3.278 18.004 -1.623) 18.372 6.457 ( 6.309 8.304 -1.250) 10.503 6.544 ( -0.444 6.975 -3.928) 8.017 6.596 ( -1.009 -12.021 2.375) 12.295 6.636 ( -4.565 -15.270 -1.576) 16.015 6.916 ( 3.851 -1.778 10.157) 11.007 6.993 ( -4.118 1.471 11.570) 12.369 7.268 ( 4.590 20.948 0.611) 21.454 7.340 ( -0.006 19.044 2.624) 19.224 7.457 ( -1.812 14.117 2.199) 14.402 7.513 ( -5.441 15.020 3.934) 16.452 7.884 ( 2.677 7.369 -6.116) 9.944 7.926 ( -1.111 4.633 -3.974) 6.205 8.213 ( 4.936 10.709 3.207) 12.220 8.271 ( 0.575 0.232 3.659) 3.711 8.390 ( 1.970 2.900 3.677) 5.081 8.449 ( -3.824 10.516 1.763) 11.328 8.539 ( 3.390 3.068 1.009) 4.682 8.646 ( -6.441 3.704 4.200) 8.535 8.824 ( 3.085 15.825 5.618) 17.074 8.875 ( -2.814 15.262 4.586) 16.183 9.304 ( 4.868 13.612 -17.086) 22.381 9.333 ( 1.463 14.019 -14.511) 20.230 9.518 ( 1.140 12.828 -8.967) 15.693 9.571 ( 0.430 14.889 -4.796) 15.648 9.668 ( 2.988 17.817 3.190) 18.345 9.692 ( -0.767 15.990 0.276) 16.011 10.125 ( -0.506 17.318 -13.320) 21.853 10.184 ( -6.624 14.195 -7.102) 17.200 10.576 ( 2.497 4.426 -6.640) 8.362 10.653 ( -4.680 1.983 -0.047) 5.083 10.734 ( -0.216 11.306 12.695) 17.001 10.784 ( -4.938 10.970 11.383) 16.562 11.459 ( 4.586 -1.322 -2.178) 5.246 11.543 ( -2.918 -1.508 -1.171) 3.487 11.604 ( 2.017 4.859 -8.407) 9.917 11.677 ( -4.521 3.880 -5.469) 8.087 12.947 ( 2.803 1.876 -2.885) 4.438 13.023 ( -4.507 3.107 -2.919) 6.204 13.169 ( 0.030 0.061 -4.082) 4.082 13.173 ( -0.354 1.447 -3.250) 3.575 13.669 ( 2.390 10.233 6.144) 12.172 13.715 ( -2.235 8.584 5.756) 10.574 13.905 ( 1.838 -2.118 2.588) 3.816 13.949 ( -2.596 0.700 1.488) 3.073 14.587 ( 11.127 4.395 11.223) 16.404 14.836 ( -13.804 2.297 10.565) 17.534 15.233 ( 7.228 -10.053 -2.315) 12.596 15.353 ( -4.683 -7.493 -0.376) 8.844 16.028 ( 4.293 21.979 2.687) 22.555 16.132 ( -6.053 18.968 0.340) 19.913 16.682 ( 4.233 19.423 -18.610) 27.230 16.761 ( -3.579 13.355 -17.833) 22.565 17.753 ( 16.876 39.717 28.803) 51.883 18.248 ( -35.474 40.822 25.604) 59.836 19.363 ( 9.474 19.715 -19.282) 29.159 19.578 ( -11.899 16.984 -11.069) 23.506 20.730 ( 5.010 9.725 3.573) 11.509 20.834 ( -5.170 8.208 6.656) 11.765 21.146 ( 6.002 8.177 -3.950) 10.885 21.248 ( -4.904 6.689 -3.056) 8.839 23.132 ( 17.722 -3.931 3.002) 18.400 23.306 ( 2.924 -12.356 -0.009) 12.697 23.890 ( 11.689 -15.580 2.695) 19.663 24.055 ( -6.835 -9.876 -1.498) 12.103 24.634 ( 12.123 -4.491 1.041) 12.970 24.958 ( -16.842 -13.923 -7.236) 23.018 25.932 ( 1.405 -14.565 2.590) 14.860 25.970 ( -2.337 -16.395 1.225) 16.606 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 -0.876 -2.540) 2.687 2.019 ( 0.000 0.043 -6.600) 6.600 2.077 ( 0.000 -0.131 -0.042) 0.138 2.134 ( 0.000 -4.969 1.042) 5.077 2.326 ( 0.000 3.440 1.784) 3.875 2.407 ( 0.000 4.766 -1.732) 5.070 2.586 ( 0.000 5.268 1.406) 5.452 2.643 ( 0.000 0.691 2.556) 2.648 2.811 ( 0.000 4.727 2.104) 5.174 3.211 ( 0.000 10.634 -11.260) 15.487 3.489 ( 0.000 15.128 2.242) 15.294 3.612 ( 0.000 16.663 0.193) 16.664 3.776 ( 0.000 8.988 8.617) 12.451 3.922 ( 0.000 20.832 5.492) 21.544 4.216 ( 0.000 14.201 8.092) 16.344 4.559 ( 0.000 10.413 -11.323) 15.383 4.577 ( 0.000 22.697 -10.906) 25.181 4.685 ( 0.000 15.027 4.558) 15.703 4.923 ( 0.000 8.275 1.859) 8.482 5.047 ( 0.000 2.809 -14.691) 14.957 5.136 ( 0.000 15.565 4.425) 16.182 5.285 ( 0.000 1.899 -9.145) 9.340 5.311 ( 0.000 5.631 4.889) 7.457 5.431 ( 0.000 1.135 -0.238) 1.160 5.603 ( 0.000 -9.549 0.527) 9.564 5.671 ( 0.000 -13.446 -2.375) 13.654 5.971 ( 0.000 7.264 1.913) 7.511 6.232 ( 0.000 1.027 -1.804) 2.076 6.383 ( 0.000 0.241 4.317) 4.324 6.430 ( 0.000 -3.955 5.508) 6.781 6.541 ( 0.000 2.633 2.352) 3.530 6.755 ( 0.000 16.496 -2.421) 16.673 7.042 ( 0.000 6.067 8.993) 10.848 7.295 ( 0.000 14.954 17.817) 23.261 7.326 ( 0.000 13.492 1.517) 13.577 7.657 ( 0.000 12.360 3.837) 12.942 7.798 ( 0.000 10.181 0.220) 10.183 7.810 ( 0.000 -2.816 -7.966) 8.449 7.986 ( 0.000 -3.027 -2.331) 3.821 8.019 ( 0.000 -0.619 10.902) 10.919 8.215 ( 0.000 6.882 11.388) 13.306 8.229 ( 0.000 10.297 -5.918) 11.876 8.476 ( 0.000 5.033 4.594) 6.814 8.609 ( 0.000 7.390 11.347) 13.542 8.866 ( 0.000 12.296 4.069) 12.951 8.949 ( 0.000 19.609 -5.546) 20.378 9.124 ( 0.000 21.854 -0.481) 21.860 9.410 ( 0.000 14.387 -17.397) 22.575 9.467 ( 0.000 15.789 -3.260) 16.122 9.544 ( 0.000 11.781 -7.958) 14.217 9.615 ( 0.000 15.243 0.061) 15.243 9.729 ( 0.000 14.851 1.485) 14.925 9.876 ( 0.000 12.638 -16.851) 21.064 10.177 ( 0.000 16.111 -1.606) 16.191 10.297 ( 0.000 2.117 -21.065) 21.171 10.568 ( 0.000 6.885 3.814) 7.870 10.656 ( 0.000 7.524 -12.627) 14.698 10.972 ( 0.000 9.442 14.923) 17.659 11.018 ( 0.000 1.281 -8.868) 8.960 11.025 ( 0.000 9.818 16.173) 18.920 11.384 ( 0.000 0.584 1.549) 1.655 11.509 ( 0.000 -0.328 3.011) 3.029 11.589 ( 0.000 -6.110 -3.238) 6.915 11.750 ( 0.000 -2.323 -1.420) 2.723 12.851 ( 0.000 -4.843 -2.752) 5.570 13.044 ( 0.000 -9.992 -4.448) 10.937 13.143 ( 0.000 -5.932 -1.901) 6.229 13.186 ( 0.000 -1.014 -6.056) 6.141 13.864 ( 0.000 7.639 9.458) 12.157 13.910 ( 0.000 14.695 1.235) 14.746 13.979 ( 0.000 16.435 4.646) 17.079 14.163 ( 0.000 10.532 4.543) 11.470 14.590 ( 0.000 15.633 3.559) 16.033 14.985 ( 0.000 5.288 -2.746) 5.958 15.295 ( 0.000 7.809 0.700) 7.840 15.370 ( 0.000 0.126 1.560) 1.565 16.354 ( 0.000 18.456 4.721) 19.050 16.612 ( 0.000 16.129 0.404) 16.134 16.850 ( 0.000 6.339 -9.750) 11.629 16.966 ( 0.000 4.593 -6.490) 7.951 18.262 ( 0.000 41.207 15.088) 43.882 19.491 ( 0.000 13.487 -21.171) 25.102 19.996 ( 0.000 3.912 4.036) 5.621 20.170 ( 0.000 -4.542 -7.030) 8.369 20.546 ( 0.000 9.295 8.046) 12.294 20.940 ( 0.000 3.946 -3.115) 5.028 21.028 ( 0.000 1.976 9.228) 9.437 21.415 ( 0.000 -2.863 -2.857) 4.045 22.422 ( 0.000 8.434 2.994) 8.949 22.733 ( 0.000 9.226 -5.541) 10.762 23.479 ( 0.000 -8.216 13.121) 15.481 24.058 ( 0.000 -9.047 -3.487) 9.696 24.675 ( 0.000 5.162 3.276) 6.114 25.057 ( 0.000 -10.323 -6.595) 12.250 25.668 ( 0.000 -12.340 1.385) 12.417 25.677 ( 0.000 -17.644 0.678) 17.657 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -3.453 0.966 -0.889) 3.694 1.967 ( -8.008 -1.328 3.182) 8.719 2.042 ( 2.041 0.630 -6.642) 6.977 2.172 ( 1.503 -4.286 -2.086) 4.998 2.316 ( -0.901 3.780 1.678) 4.233 2.376 ( -3.145 5.323 0.071) 6.183 2.554 ( -0.751 5.960 -2.603) 6.547 2.678 ( 1.068 -1.464 0.781) 1.973 2.852 ( 4.165 6.322 2.375) 7.934 3.147 ( -4.632 12.544 -7.601) 15.381 3.443 ( -4.577 13.714 3.943) 14.986 3.455 ( -9.970 17.270 2.539) 20.103 3.825 ( 5.015 13.305 3.220) 14.579 4.109 ( 11.363 14.456 1.376) 18.439 4.296 ( 6.671 13.154 5.288) 15.668 4.411 ( -10.547 17.564 -3.956) 20.865 4.544 ( -5.276 12.568 -3.961) 14.195 4.621 ( -1.766 11.582 -1.984) 11.883 4.850 ( -8.497 10.855 -1.664) 13.885 4.947 ( -7.864 6.472 -3.435) 10.748 5.167 ( -1.346 9.972 7.139) 12.338 5.233 ( 1.061 2.889 -5.955) 6.704 5.287 ( -1.376 -1.198 -7.314) 7.538 5.538 ( 2.060 4.572 -2.152) 5.457 5.634 ( 5.449 -8.187 2.895) 10.252 5.817 ( 12.838 -4.284 -5.477) 14.600 5.955 ( -1.694 7.246 2.000) 7.705 6.187 ( -2.002 -3.345 -2.813) 4.807 6.402 ( 2.554 -9.298 8.383) 12.777 6.556 ( 7.598 11.384 3.224) 14.061 6.614 ( 6.726 7.666 0.439) 10.208 6.721 ( -0.492 13.994 1.222) 14.056 7.024 ( -2.509 7.906 9.121) 12.328 7.240 ( -5.226 15.664 14.468) 21.954 7.386 ( 5.360 9.875 2.751) 11.568 7.627 ( -2.292 11.424 2.669) 11.953 7.747 ( -4.685 6.305 -0.895) 7.906 7.808 ( -1.478 0.694 -6.136) 6.349 7.905 ( -2.537 -1.162 -1.431) 3.136 8.133 ( 5.337 -3.543 8.214) 10.417 8.166 ( -5.184 12.229 -1.642) 13.384 8.231 ( 1.570 4.495 10.603) 11.622 8.490 ( 2.082 0.431 3.956) 4.491 8.609 ( -0.445 6.306 9.971) 11.806 8.843 ( -1.858 15.346 2.282) 15.626 8.911 ( -3.331 19.662 -4.716) 20.493 9.150 ( 1.757 21.006 0.206) 21.080 9.286 ( -6.570 15.118 -5.635) 17.420 9.458 ( 1.185 12.080 -8.831) 15.011 9.582 ( 2.065 12.706 -8.126) 15.223 9.775 ( 5.479 14.342 -15.720) 21.974 9.795 ( 5.047 15.723 1.548) 16.586 9.883 ( 4.552 12.830 -7.034) 15.323 10.027 ( -8.420 11.295 -4.489) 14.785 10.376 ( 2.678 9.267 -12.242) 15.586 10.535 ( -1.996 10.093 -5.215) 11.535 10.686 ( 1.702 6.355 -8.539) 10.779 10.859 ( -9.241 5.431 -1.270) 10.794 10.969 ( -0.107 9.859 14.942) 17.902 11.063 ( -1.406 9.497 11.948) 15.327 11.377 ( 0.657 -0.599 0.103) 0.895 11.518 ( -0.439 -3.075 -0.259) 3.117 11.596 ( 0.624 -4.745 -2.599) 5.447 11.727 ( -2.165 -3.183 -1.800) 4.250 12.876 ( 2.550 -3.820 -3.456) 5.748 13.040 ( -0.246 -9.485 -4.228) 10.388 13.126 ( -1.611 -6.277 -1.926) 6.761 13.152 ( -3.314 -1.230 -5.763) 6.761 13.881 ( 1.565 7.867 8.434) 11.639 13.915 ( 0.351 14.922 1.724) 15.025 13.981 ( 0.438 15.350 5.011) 16.154 14.137 ( -2.511 11.295 4.738) 12.503 14.635 ( 4.606 15.013 4.054) 16.219 15.036 ( 4.877 4.556 -2.575) 7.154 15.193 ( -9.026 8.224 2.598) 12.484 15.357 ( -2.122 0.527 0.611) 2.270 16.377 ( 2.243 18.548 4.233) 19.156 16.584 ( -2.781 16.710 0.669) 16.953 16.864 ( 1.327 6.201 -9.475) 11.402 16.956 ( -0.917 4.787 -6.875) 8.427 18.331 ( 7.165 40.364 15.095) 43.686 19.514 ( -8.709 15.527 -13.281) 22.211 19.588 ( -22.470 11.342 -0.055) 25.170 19.970 ( -6.284 5.164 0.610) 8.156 20.804 ( 8.322 6.951 -1.131) 10.902 20.998 ( 1.745 4.342 0.563) 4.714 21.096 ( 9.217 1.326 4.518) 10.350 21.387 ( -2.171 -0.334 -2.268) 3.157 22.683 ( 22.907 -1.809 0.193) 22.980 22.854 ( 10.896 3.936 -3.875) 12.216 23.492 ( 1.690 -9.580 11.847) 15.330 23.995 ( -6.396 -10.293 -3.187) 12.531 24.646 ( -2.291 5.365 3.128) 6.620 24.975 ( -8.119 -9.397 -5.173) 13.453 25.661 ( -0.424 -13.457 0.836) 13.490 25.675 ( -0.331 -15.858 0.665) 15.875 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.417 3.933 2.593) 4.919 1.815 ( -6.083 2.659 4.851) 8.222 2.105 ( 4.043 -1.782 -6.367) 7.750 2.171 ( -1.924 -4.605 -3.983) 6.385 2.300 ( -0.503 4.849 1.244) 5.031 2.313 ( -2.267 6.431 0.983) 6.889 2.578 ( 2.919 3.861 -6.248) 7.904 2.649 ( -3.562 0.043 -5.118) 6.236 2.965 ( 6.947 9.011 3.211) 11.823 3.081 ( -3.555 12.128 1.038) 12.681 3.300 ( -3.417 14.070 0.985) 14.512 3.343 ( -5.490 13.461 1.498) 14.614 3.952 ( 7.906 15.622 -0.004) 17.509 4.135 ( -10.530 15.974 -3.073) 19.378 4.311 ( 7.157 11.434 0.457) 13.497 4.415 ( -2.781 9.946 0.580) 10.343 4.519 ( 5.562 10.590 2.846) 12.295 4.603 ( -1.988 12.460 -1.258) 12.680 4.695 ( -3.355 8.956 0.557) 9.580 4.777 ( -8.248 8.457 1.396) 11.895 5.128 ( -0.021 3.289 0.886) 3.406 5.181 ( -4.769 3.093 -0.656) 5.722 5.373 ( 6.960 0.997 -8.776) 11.245 5.493 ( -4.880 0.781 -4.917) 6.971 5.773 ( 6.782 1.809 3.249) 7.734 5.882 ( -4.414 3.713 3.043) 6.521 6.069 ( 9.522 0.098 -7.049) 11.848 6.168 ( -1.362 -2.978 -5.253) 6.190 6.484 ( 5.240 -0.712 7.072) 8.831 6.577 ( -4.124 5.643 3.651) 7.885 6.726 ( 7.399 18.656 4.827) 20.642 6.818 ( 1.210 16.975 1.001) 17.048 6.988 ( 2.243 7.380 11.181) 13.584 7.106 ( -7.678 12.216 12.159) 18.868 7.517 ( 8.141 5.948 1.672) 10.220 7.602 ( 0.453 9.190 0.394) 9.210 7.653 ( -4.325 5.028 -2.061) 6.945 7.694 ( -8.852 5.247 -1.734) 10.435 7.935 ( 4.536 -1.177 -4.832) 6.731 8.045 ( -6.252 3.781 -3.165) 7.962 8.223 ( 3.494 -1.229 12.288) 12.834 8.259 ( 0.239 2.062 11.750) 11.932 8.546 ( 2.709 -1.504 4.241) 5.252 8.586 ( -1.699 1.059 7.238) 7.510 8.818 ( -0.222 21.010 -0.843) 21.028 8.844 ( -2.825 21.177 -2.550) 21.516 9.172 ( 0.756 17.928 0.352) 17.948 9.200 ( -2.532 15.969 -1.327) 16.222 9.548 ( 7.936 10.610 -9.490) 16.297 9.632 ( 3.319 12.456 -11.416) 17.219 9.716 ( -5.115 9.344 -13.835) 17.461 9.747 ( -10.839 7.614 -7.642) 15.292 9.991 ( 8.878 16.877 1.541) 19.132 10.084 ( 2.683 19.454 -0.151) 19.639 10.393 ( 2.284 13.123 -7.020) 15.057 10.487 ( -4.323 14.385 -11.910) 19.169 10.696 ( -0.154 5.120 -8.396) 9.836 10.725 ( -3.690 8.238 -4.835) 10.240 10.977 ( 1.047 10.857 15.166) 18.680 11.013 ( -2.641 11.288 15.256) 19.161 11.417 ( 2.957 -3.238 -1.258) 4.562 11.479 ( -3.105 -4.387 -1.505) 5.582 11.619 ( 2.028 -4.245 -2.896) 5.524 11.673 ( -3.159 -4.057 -2.822) 5.865 12.948 ( 4.609 -2.143 -5.142) 7.230 13.030 ( -2.088 -5.150 -5.747) 7.994 13.080 ( -2.256 -4.580 -2.991) 5.917 13.090 ( -1.848 -7.428 -1.839) 7.872 13.909 ( 0.966 9.844 5.428) 11.283 13.919 ( -0.082 13.658 3.228) 14.035 14.010 ( 2.660 13.552 5.811) 14.983 14.074 ( -3.601 12.494 5.378) 14.071 14.769 ( 9.083 13.412 4.939) 16.935 14.976 ( -11.535 11.086 4.280) 16.561 15.161 ( 6.658 2.303 -1.263) 7.158 15.283 ( -5.326 0.934 -0.416) 5.423 16.437 ( 3.709 18.522 2.993) 19.125 16.514 ( -4.050 17.853 1.595) 18.376 16.896 ( 1.849 5.815 -8.765) 10.679 16.931 ( -1.618 5.274 -7.788) 9.543 18.547 ( 15.316 37.153 14.777) 42.817 18.946 ( -26.061 29.367 12.673) 41.258 19.662 ( 7.602 10.932 -15.548) 20.471 19.823 ( -8.460 8.185 -8.345) 14.429 20.908 ( 4.286 8.157 2.656) 9.590 20.981 ( -2.777 6.547 4.657) 8.501 21.264 ( 6.333 3.395 -2.317) 7.550 21.345 ( -2.478 2.745 -2.242) 4.325 23.065 ( 9.852 -2.665 -0.833) 10.240 23.082 ( 10.049 -9.444 -0.395) 13.796 23.584 ( 9.386 -14.745 4.668) 18.092 23.816 ( -11.647 -13.990 -2.178) 18.333 24.635 ( 2.757 3.286 2.112) 4.781 24.776 ( -10.616 -4.377 -1.410) 11.569 25.657 ( 0.133 -13.821 0.313) 13.825 25.665 ( -0.551 -14.512 0.346) 14.526 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 -1.684 0.524) 1.764 1.943 ( 0.000 -4.838 -1.900) 5.198 2.042 ( 0.000 -3.646 0.342) 3.662 2.060 ( 0.000 -2.354 0.238) 2.366 2.416 ( 0.000 4.583 -0.540) 4.615 2.440 ( 0.000 -0.407 -1.617) 1.667 2.581 ( 0.000 -5.567 0.024) 5.567 2.615 ( 0.000 -1.658 -1.508) 2.241 3.035 ( 0.000 17.012 3.469) 17.362 3.456 ( 0.000 12.848 -11.726) 17.394 3.759 ( 0.000 11.961 1.724) 12.085 3.870 ( 0.000 9.566 -2.328) 9.845 3.999 ( 0.000 12.269 14.205) 18.769 4.346 ( 0.000 19.691 4.215) 20.137 4.481 ( 0.000 12.653 1.143) 12.704 4.717 ( 0.000 5.489 -8.418) 10.049 4.872 ( 0.000 6.732 -1.429) 6.882 4.948 ( 0.000 -7.805 3.290) 8.470 4.987 ( 0.000 11.867 -4.018) 12.528 5.062 ( 0.000 -1.515 -12.551) 12.643 5.199 ( 0.000 -4.722 -3.254) 5.734 5.219 ( 0.000 -6.456 -4.038) 7.615 5.453 ( 0.000 9.586 8.609) 12.885 5.503 ( 0.000 4.897 2.002) 5.290 5.541 ( 0.000 1.443 0.955) 1.731 5.567 ( 0.000 3.474 -3.123) 4.671 5.857 ( 0.000 -7.556 0.109) 7.557 6.202 ( 0.000 -9.550 -9.365) 13.375 6.321 ( 0.000 6.360 9.639) 11.548 6.536 ( 0.000 7.503 1.201) 7.599 6.715 ( 0.000 8.074 5.035) 9.515 7.003 ( 0.000 6.618 -7.901) 10.307 7.121 ( 0.000 5.294 11.095) 12.294 7.547 ( 0.000 8.192 1.985) 8.429 7.631 ( 0.000 14.520 11.635) 18.607 7.676 ( 0.000 -8.971 -1.824) 9.155 7.858 ( 0.000 8.305 3.843) 9.151 7.923 ( 0.000 2.863 0.284) 2.877 7.978 ( 0.000 1.788 1.820) 2.551 8.028 ( 0.000 1.639 8.164) 8.327 8.289 ( 0.000 -0.476 2.091) 2.144 8.353 ( 0.000 7.457 10.511) 12.888 8.593 ( 0.000 -4.900 14.956) 15.738 8.595 ( 0.000 4.525 5.220) 6.908 9.221 ( 0.000 18.761 -1.832) 18.850 9.327 ( 0.000 17.705 -7.043) 19.054 9.480 ( 0.000 13.025 -4.200) 13.685 9.647 ( 0.000 9.589 -18.206) 20.577 9.743 ( 0.000 7.876 -5.929) 9.858 9.743 ( 0.000 12.723 0.605) 12.738 9.887 ( 0.000 10.644 -7.337) 12.928 9.999 ( 0.000 13.195 1.706) 13.305 10.072 ( 0.000 7.645 -12.232) 14.425 10.315 ( 0.000 1.934 -9.080) 9.284 10.467 ( 0.000 11.537 -5.635) 12.840 10.687 ( 0.000 -3.435 -11.300) 11.811 10.698 ( 0.000 6.702 2.698) 7.225 11.053 ( 0.000 -2.568 10.886) 11.185 11.068 ( 0.000 0.410 -9.254) 9.263 11.158 ( 0.000 4.484 9.117) 10.160 11.352 ( 0.000 -13.427 0.238) 13.429 11.395 ( 0.000 -2.881 -1.268) 3.147 11.579 ( 0.000 7.558 4.738) 8.921 11.734 ( 0.000 1.646 5.335) 5.583 12.742 ( 0.000 -5.748 -2.469) 6.256 12.850 ( 0.000 -9.009 -2.678) 9.398 13.013 ( 0.000 -6.183 -1.171) 6.293 13.092 ( 0.000 -6.919 -4.928) 8.495 14.126 ( 0.000 15.774 5.191) 16.606 14.184 ( 0.000 13.089 -0.717) 13.109 14.320 ( 0.000 16.159 3.482) 16.530 14.403 ( 0.000 12.391 3.035) 12.758 14.935 ( 0.000 17.905 2.998) 18.154 15.160 ( 0.000 10.148 -0.444) 10.157 15.432 ( 0.000 5.415 2.769) 6.082 15.462 ( 0.000 7.921 0.728) 7.954 16.664 ( 0.000 12.940 3.475) 13.398 16.872 ( 0.000 10.011 -0.447) 10.021 16.929 ( 0.000 2.251 -3.876) 4.483 17.027 ( 0.000 2.135 -2.446) 3.247 18.966 ( 0.000 29.712 6.377) 30.389 19.677 ( 0.000 5.191 -14.136) 15.058 20.012 ( 0.000 -1.854 2.267) 2.929 20.055 ( 0.000 -5.915 -1.966) 6.233 20.708 ( 0.000 7.338 5.384) 9.101 20.975 ( 0.000 -0.311 -2.154) 2.177 21.098 ( 0.000 4.456 4.216) 6.135 21.350 ( 0.000 -3.684 -2.457) 4.428 22.584 ( 0.000 7.887 1.719) 8.073 22.885 ( 0.000 4.705 -9.541) 10.638 23.346 ( 0.000 -3.643 13.695) 14.171 23.852 ( 0.000 -11.784 -3.093) 12.183 24.796 ( 0.000 7.256 0.809) 7.301 24.912 ( 0.000 -3.883 -2.049) 4.390 25.349 ( 0.000 -15.354 1.436) 15.421 25.427 ( 0.000 -12.138 -0.524) 12.150 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -2.218 -1.697 1.137) 3.015 1.934 ( -4.148 -2.005 0.020) 4.607 1.969 ( -0.954 -5.216 -1.097) 5.415 2.080 ( -0.434 -5.102 -1.960) 5.483 2.401 ( -1.281 4.099 -0.734) 4.357 2.420 ( -1.711 0.493 -1.051) 2.067 2.581 ( 0.262 -4.135 -1.326) 4.350 2.623 ( 0.335 -2.650 -1.740) 3.188 3.085 ( 5.053 17.034 3.497) 18.108 3.431 ( -1.691 14.931 -8.783) 17.405 3.703 ( -4.639 11.445 3.874) 12.943 3.758 ( -9.368 12.448 -0.127) 15.580 4.088 ( 7.009 12.787 9.414) 17.357 4.427 ( 6.036 16.439 -0.439) 17.517 4.529 ( 4.088 9.967 1.045) 10.823 4.627 ( -8.247 6.066 -3.873) 10.946 4.710 ( -10.550 1.193 2.897) 11.005 4.836 ( -4.155 8.207 -7.533) 11.890 4.971 ( -10.927 0.781 -2.871) 11.325 5.065 ( -3.175 4.858 0.859) 5.867 5.148 ( 4.243 -5.728 -9.564) 11.928 5.186 ( -4.262 -3.883 -5.052) 7.666 5.344 ( -6.002 -0.293 6.466) 8.828 5.416 ( -2.591 -5.397 4.287) 7.363 5.755 ( 11.827 10.004 -1.253) 15.541 5.827 ( 17.217 4.637 -4.739) 18.450 5.937 ( 7.238 -0.269 1.157) 7.335 6.133 ( -3.550 -3.355 -5.449) 7.318 6.369 ( 4.570 5.553 8.140) 10.862 6.671 ( 10.320 2.254 -1.897) 10.733 6.781 ( 4.087 5.382 7.893) 10.391 6.970 ( 1.536 10.622 0.787) 10.762 7.165 ( 1.462 5.941 4.722) 7.728 7.525 ( -3.337 7.438 4.003) 9.081 7.580 ( -3.795 11.227 6.661) 13.595 7.669 ( -0.988 -8.885 -4.753) 10.125 7.802 ( -4.980 6.349 2.150) 8.351 7.879 ( -0.383 5.750 3.399) 6.691 7.938 ( -5.229 2.713 2.117) 6.260 8.084 ( 2.560 -0.779 8.087) 8.518 8.259 ( -1.848 1.815 2.892) 3.882 8.386 ( 0.810 5.869 9.640) 11.315 8.491 ( -5.391 0.776 8.329) 9.951 8.587 ( -2.042 -4.106 11.740) 12.604 9.217 ( -0.603 17.814 -2.950) 18.067 9.286 ( -3.453 17.440 -6.585) 18.959 9.491 ( -0.317 11.215 -4.645) 12.143 9.532 ( -5.752 10.671 -9.937) 15.675 9.683 ( -1.262 11.025 -3.787) 11.726 9.766 ( -0.390 6.558 -1.888) 6.835 10.007 ( -0.572 10.354 -13.093) 16.702 10.036 ( -1.136 3.806 -13.981) 14.534 10.107 ( 9.313 14.488 0.171) 17.224 10.280 ( 5.408 13.779 -0.899) 14.829 10.574 ( 5.392 9.404 -8.829) 13.980 10.683 ( 0.582 3.355 -6.260) 7.126 10.730 ( 2.034 1.499 -2.889) 3.838 10.990 ( -4.746 3.711 -6.017) 8.514 11.068 ( 1.293 -0.445 10.056) 10.149 11.183 ( 0.206 1.188 6.454) 6.566 11.338 ( -1.357 -8.061 2.028) 8.422 11.392 ( 0.220 -6.555 -2.141) 6.900 11.557 ( -2.474 4.771 2.842) 6.079 11.675 ( -5.474 -0.471 5.371) 7.683 12.777 ( 3.470 -5.652 -2.966) 7.265 12.855 ( 0.619 -8.621 -2.384) 8.966 12.991 ( -2.187 -6.371 -1.144) 6.832 13.063 ( -2.997 -6.652 -4.951) 8.817 14.139 ( 1.272 15.515 4.754) 16.277 14.203 ( 1.769 13.681 -0.350) 13.799 14.298 ( -1.817 15.564 3.985) 16.168 14.392 ( -1.331 12.702 2.570) 13.027 14.968 ( 3.420 17.342 3.315) 17.984 15.194 ( 3.291 9.303 -0.148) 9.869 15.373 ( -6.083 8.833 2.723) 11.065 15.431 ( -2.576 6.009 1.419) 6.690 16.686 ( 2.144 12.793 2.987) 13.311 16.853 ( -1.879 10.437 -0.231) 10.607 16.942 ( 1.235 2.275 -3.769) 4.572 17.021 ( -0.684 2.170 -2.615) 3.467 19.015 ( 4.976 28.673 6.426) 29.802 19.711 ( 3.338 4.570 -13.274) 14.430 19.758 ( -19.542 6.497 2.725) 20.773 19.999 ( -4.009 -1.899 -0.455) 4.459 20.905 ( 11.148 3.759 1.266) 11.832 21.059 ( 6.608 0.982 -1.631) 6.877 21.121 ( 3.922 2.488 4.539) 6.494 21.353 ( 0.347 -2.875 -1.988) 3.513 22.700 ( 11.384 3.064 1.032) 11.834 22.932 ( 4.614 2.429 -7.983) 9.535 23.331 ( -1.412 -5.387 11.778) 13.029 23.766 ( -8.614 -12.571 -2.863) 15.506 24.772 ( -2.093 7.498 0.937) 7.841 24.863 ( -4.515 -1.669 -0.951) 4.906 25.357 ( 0.776 -14.962 0.883) 15.008 25.420 ( -0.762 -12.421 -0.532) 12.455 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.163 -1.040 2.008) 2.267 1.825 ( -4.690 -0.547 2.114) 5.174 1.998 ( 2.430 -7.413 -3.907) 8.724 2.049 ( -2.424 -7.277 -3.900) 8.605 2.380 ( -0.516 3.214 -0.693) 3.328 2.388 ( -1.269 2.320 -0.571) 2.705 2.595 ( 1.067 -3.086 -3.017) 4.445 2.617 ( -0.935 -3.037 -2.903) 4.304 3.227 ( 9.201 17.421 3.130) 19.948 3.391 ( -4.766 17.908 -1.203) 18.570 3.575 ( -4.075 12.654 0.588) 13.307 3.617 ( -5.324 12.830 1.320) 13.954 4.231 ( 7.577 12.189 4.513) 15.045 4.398 ( -9.929 10.266 -0.018) 14.282 4.528 ( 2.548 9.153 -2.469) 9.816 4.577 ( -2.864 5.708 -0.337) 6.395 4.651 ( 5.382 4.082 0.963) 6.823 4.759 ( -5.818 2.132 -0.935) 6.267 4.857 ( 1.465 8.028 -0.326) 8.167 4.948 ( -6.590 7.836 -0.521) 10.252 5.101 ( -2.238 -4.697 -4.851) 7.113 5.136 ( -4.666 -4.863 -3.129) 7.430 5.314 ( 2.836 -7.497 -1.929) 8.245 5.378 ( -2.650 -9.055 -0.082) 9.435 5.935 ( 6.629 11.267 -0.638) 13.088 5.999 ( 0.251 9.402 1.897) 9.595 6.127 ( 8.519 5.454 -4.569) 11.099 6.156 ( 3.866 3.051 -3.485) 6.033 6.493 ( 7.736 3.373 7.447) 11.255 6.645 ( -7.374 3.666 4.811) 9.538 7.032 ( 15.882 -0.720 6.141) 17.043 7.073 ( 5.550 11.132 2.253) 12.642 7.150 ( -1.391 11.536 2.218) 11.830 7.347 ( -13.013 10.586 5.512) 17.657 7.580 ( 2.586 0.412 1.258) 2.905 7.644 ( -2.373 -4.196 -3.295) 5.839 7.714 ( -1.684 3.539 -1.676) 4.262 7.784 ( -8.113 3.713 -0.140) 8.923 7.939 ( 5.412 2.572 4.628) 7.572 8.060 ( -5.454 -0.172 3.642) 6.560 8.249 ( 2.272 2.466 10.250) 10.784 8.327 ( -4.497 3.476 12.166) 13.429 8.491 ( 2.622 -3.704 7.191) 8.503 8.541 ( -2.401 -3.667 8.195) 9.294 9.202 ( -0.390 16.329 -4.528) 16.949 9.222 ( -2.520 16.582 -5.481) 17.646 9.459 ( -0.869 9.446 -6.046) 11.249 9.472 ( -1.880 11.608 -4.610) 12.631 9.703 ( 2.364 7.346 -3.052) 8.299 9.745 ( -1.637 4.661 -2.036) 5.343 9.950 ( -1.672 11.562 -10.070) 15.423 9.971 ( -3.573 10.899 -12.852) 17.226 10.306 ( 9.953 14.989 0.662) 18.005 10.425 ( 0.946 14.976 -2.228) 15.170 10.640 ( 3.704 10.058 -7.432) 13.043 10.694 ( -0.891 6.310 -8.640) 10.736 10.783 ( 5.126 4.501 -5.987) 9.077 10.907 ( -5.038 7.391 -7.669) 11.782 11.108 ( 2.308 0.642 9.525) 9.822 11.153 ( -2.501 0.485 8.282) 8.665 11.333 ( 1.960 -4.061 1.816) 4.861 11.393 ( -1.756 -3.866 0.492) 4.274 11.502 ( -0.931 -3.871 1.410) 4.224 11.560 ( -5.422 -5.658 3.501) 8.583 12.864 ( 4.662 -5.797 -3.674) 8.296 12.881 ( 2.251 -7.230 -2.502) 7.975 12.939 ( -2.587 -7.083 -1.063) 7.615 12.982 ( -4.981 -6.221 -4.523) 9.164 14.174 ( 2.187 15.437 3.910) 16.074 14.216 ( -1.529 15.581 2.111) 15.798 14.292 ( 2.200 13.430 2.752) 13.885 14.349 ( -2.929 13.075 2.051) 13.555 15.069 ( 6.790 15.533 3.915) 17.399 15.222 ( -8.484 12.457 3.767) 15.536 15.276 ( 4.704 7.632 0.493) 8.979 15.365 ( -4.170 6.074 1.246) 7.472 16.740 ( 3.214 12.294 1.812) 12.835 16.803 ( -3.052 11.411 0.570) 11.826 16.971 ( 1.637 2.276 -3.496) 4.482 17.001 ( -1.320 2.239 -3.042) 4.001 19.160 ( 9.919 25.151 6.384) 27.780 19.407 ( -15.553 18.070 5.569) 24.483 19.797 ( 5.240 2.779 -10.536) 12.091 19.904 ( -5.453 0.185 -5.741) 7.921 21.045 ( 4.378 5.710 1.859) 7.432 21.094 ( -0.802 5.267 2.812) 6.024 21.279 ( 7.104 -1.552 -1.026) 7.343 21.353 ( -1.077 -1.734 -1.582) 2.582 22.955 ( 11.355 -3.221 0.241) 11.806 23.037 ( 3.684 -0.262 -3.062) 4.797 23.322 ( 3.507 -11.481 4.927) 12.977 23.534 ( -14.203 -13.910 -1.830) 19.964 24.740 ( -0.486 7.067 1.281) 7.198 24.772 ( -3.787 3.577 0.862) 5.280 25.377 ( 1.153 -14.094 0.024) 14.141 25.400 ( -1.169 -13.154 -0.434) 13.213 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 0.306 1.241) 1.278 1.858 ( 0.000 -3.409 0.303) 3.423 2.001 ( 0.000 -0.518 -0.341) 0.620 2.015 ( 0.000 -1.738 -0.236) 1.754 2.431 ( 0.000 0.379 -1.189) 1.248 2.473 ( 0.000 -3.452 -1.372) 3.714 2.498 ( 0.000 2.875 -0.583) 2.934 2.563 ( 0.000 -3.194 -1.402) 3.488 3.396 ( 0.000 17.416 1.070) 17.449 3.606 ( 0.000 -1.031 -5.777) 5.868 3.942 ( 0.000 6.158 1.212) 6.276 3.986 ( 0.000 1.910 -0.139) 1.915 4.228 ( 0.000 12.237 8.874) 15.115 4.487 ( 0.000 -10.061 2.464) 10.359 4.709 ( 0.000 9.494 -3.388) 10.080 4.770 ( 0.000 0.733 -5.079) 5.132 4.864 ( 0.000 -2.243 -6.428) 6.808 4.882 ( 0.000 7.140 -2.550) 7.581 4.978 ( 0.000 -5.006 -4.146) 6.500 5.064 ( 0.000 -0.239 2.649) 2.659 5.163 ( 0.000 -0.912 0.834) 1.235 5.179 ( 0.000 -4.100 -2.763) 4.944 5.543 ( 0.000 2.378 6.891) 7.290 5.568 ( 0.000 1.011 2.377) 2.583 5.592 ( 0.000 3.260 -0.231) 3.268 5.621 ( 0.000 0.854 -0.873) 1.222 5.877 ( 0.000 6.991 -3.090) 7.643 6.028 ( 0.000 -7.992 -6.289) 10.170 6.490 ( 0.000 8.618 5.344) 10.141 6.597 ( 0.000 -1.391 1.476) 2.028 6.865 ( 0.000 7.684 -0.180) 7.686 7.004 ( 0.000 -5.190 -6.019) 7.947 7.272 ( 0.000 9.487 4.338) 10.432 7.471 ( 0.000 -10.340 -2.532) 10.645 7.709 ( 0.000 7.463 6.252) 9.736 7.797 ( 0.000 1.362 8.973) 9.075 7.932 ( 0.000 -0.110 1.578) 1.582 7.946 ( 0.000 0.454 4.958) 4.979 8.026 ( 0.000 2.526 2.189) 3.343 8.055 ( 0.000 -0.035 1.604) 1.604 8.323 ( 0.000 5.030 15.630) 16.419 8.449 ( 0.000 -5.217 20.823) 21.467 8.524 ( 0.000 5.193 2.937) 5.965 8.617 ( 0.000 -2.282 4.273) 4.844 9.535 ( 0.000 11.955 -5.905) 13.334 9.597 ( 0.000 9.402 -8.145) 12.440 9.624 ( 0.000 1.985 -8.723) 8.946 9.731 ( 0.000 -2.536 -11.314) 11.595 9.867 ( 0.000 5.708 -6.485) 8.639 9.943 ( 0.000 0.719 -8.767) 8.796 10.016 ( 0.000 9.550 -0.793) 9.583 10.147 ( 0.000 -0.422 -6.029) 6.044 10.287 ( 0.000 14.763 -0.740) 14.782 10.428 ( 0.000 7.503 -1.668) 7.686 10.561 ( 0.000 -8.670 -5.099) 10.059 10.568 ( 0.000 -1.480 -0.650) 1.616 10.854 ( 0.000 9.207 -5.159) 10.554 10.939 ( 0.000 -4.531 3.711) 5.857 10.982 ( 0.000 -7.178 -4.381) 8.409 11.062 ( 0.000 -12.750 -4.764) 13.611 11.249 ( 0.000 4.837 4.844) 6.846 11.340 ( 0.000 -3.932 1.936) 4.382 11.733 ( 0.000 6.286 5.092) 8.089 11.785 ( 0.000 1.229 5.375) 5.513 12.663 ( 0.000 -1.271 -1.170) 1.727 12.706 ( 0.000 -5.281 -1.289) 5.436 12.933 ( 0.000 -1.333 -1.466) 1.982 12.969 ( 0.000 -4.678 -2.754) 5.428 14.370 ( 0.000 7.177 0.466) 7.192 14.382 ( 0.000 5.711 -1.281) 5.853 14.562 ( 0.000 7.358 2.452) 7.756 14.586 ( 0.000 4.828 2.015) 5.231 15.225 ( 0.000 10.041 2.228) 10.286 15.299 ( 0.000 2.461 1.068) 2.683 15.540 ( 0.000 4.330 4.106) 5.967 15.566 ( 0.000 2.066 3.177) 3.790 16.860 ( 0.000 6.958 1.929) 7.221 16.940 ( 0.000 -1.403 -0.420) 1.465 17.011 ( 0.000 4.317 -1.397) 4.538 17.051 ( 0.000 -0.063 -1.574) 1.575 19.433 ( 0.000 18.070 0.861) 18.091 19.675 ( 0.000 -6.098 -5.789) 8.408 19.961 ( 0.000 -1.927 -0.320) 1.953 19.968 ( 0.000 -2.599 -1.318) 2.914 20.838 ( 0.000 5.844 2.185) 6.239 20.934 ( 0.000 -3.680 -0.400) 3.701 21.188 ( 0.000 4.476 1.241) 4.645 21.272 ( 0.000 -4.152 -0.914) 4.251 22.735 ( 0.000 7.536 -0.050) 7.536 22.870 ( 0.000 -5.395 -4.579) 7.077 23.395 ( 0.000 8.184 6.105) 10.211 23.609 ( 0.000 -12.392 -0.482) 12.402 24.914 ( 0.000 3.883 -0.035) 3.883 24.954 ( 0.000 7.401 -1.727) 7.599 25.095 ( 0.000 -8.683 2.544) 9.048 25.194 ( 0.000 -11.289 -0.588) 11.305 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -1.857 0.732 1.100) 2.279 1.850 ( -0.490 -4.495 -0.382) 4.538 1.939 ( -5.229 0.980 -0.168) 5.323 1.988 ( -3.175 -3.863 -1.184) 5.138 2.427 ( -0.234 1.302 -1.277) 1.839 2.476 ( -0.208 0.107 -2.101) 2.114 2.490 ( -0.183 -0.608 -0.360) 0.730 2.559 ( -0.537 -3.749 -1.540) 4.088 3.441 ( 4.535 16.822 1.304) 17.471 3.628 ( 2.202 1.036 -4.869) 5.443 3.867 ( -5.590 5.872 2.467) 8.474 3.914 ( -6.405 2.648 0.345) 6.939 4.309 ( 6.022 10.254 6.391) 13.500 4.516 ( 1.896 -9.591 2.679) 10.137 4.687 ( -5.231 3.061 -2.021) 6.389 4.711 ( -4.597 1.955 -3.087) 5.872 4.782 ( -5.002 11.349 -1.778) 12.529 4.842 ( -0.510 2.852 -4.835) 5.636 4.963 ( -5.826 -4.217 -4.995) 8.757 5.029 ( 1.983 -8.046 -4.660) 9.508 5.146 ( -0.996 3.406 0.006) 3.549 5.194 ( -3.211 1.507 0.229) 3.555 5.269 ( -12.648 -2.550 4.796) 13.765 5.323 ( -10.289 -4.284 2.730) 11.474 5.919 ( 15.254 5.477 -1.576) 16.283 5.934 ( 16.885 4.077 -1.981) 17.483 5.996 ( 12.516 4.370 0.267) 13.260 6.077 ( 4.608 -3.123 -3.325) 6.484 6.521 ( 3.672 8.234 3.175) 9.559 6.648 ( 7.428 -4.234 0.633) 8.573 6.899 ( -0.534 7.671 3.260) 8.352 7.048 ( 3.230 -4.825 -1.925) 6.117 7.275 ( 2.069 8.469 1.333) 8.820 7.468 ( 1.138 -10.077 -4.358) 11.037 7.652 ( -5.441 5.911 4.330) 9.127 7.720 ( -7.119 1.038 4.876) 8.691 7.881 ( -4.775 2.942 3.847) 6.801 7.931 ( -2.598 -1.125 6.129) 6.752 8.014 ( -1.608 4.643 3.027) 5.771 8.080 ( 1.409 -1.321 3.086) 3.640 8.303 ( -1.345 4.262 13.659) 14.371 8.413 ( -2.942 -4.701 18.732) 19.536 8.506 ( -2.324 2.119 3.980) 5.073 8.540 ( -6.111 -0.611 5.131) 8.003 9.490 ( -3.475 9.425 -5.953) 11.677 9.556 ( -3.618 9.356 -7.593) 12.581 9.585 ( -3.949 -0.275 -9.743) 10.517 9.652 ( -3.932 -0.166 -7.825) 8.759 9.872 ( 0.745 8.909 -4.799) 10.147 9.957 ( -2.678 12.750 1.273) 13.090 10.025 ( 2.554 -4.965 -11.116) 12.440 10.123 ( -2.073 -1.238 -4.023) 4.692 10.389 ( 8.853 14.053 -1.607) 16.687 10.528 ( 9.588 9.883 -2.894) 14.071 10.617 ( 4.876 -6.506 -6.978) 10.715 10.667 ( 7.336 -1.167 -4.950) 8.926 10.854 ( 0.258 8.407 -3.786) 9.224 10.954 ( 0.880 -3.140 -0.420) 3.288 10.990 ( 1.011 -5.814 -0.732) 5.946 11.061 ( -0.174 -12.110 -2.521) 12.371 11.235 ( -0.493 2.749 5.928) 6.553 11.314 ( -1.936 -4.268 2.025) 5.105 11.677 ( -5.809 4.968 4.392) 8.815 11.708 ( -7.587 1.633 5.551) 9.542 12.692 ( 2.951 -1.936 -1.470) 3.823 12.720 ( 1.601 -4.594 -1.275) 5.029 12.908 ( -2.475 -1.404 -1.493) 3.214 12.942 ( -2.665 -4.584 -2.820) 6.005 14.384 ( 1.456 7.563 0.466) 7.716 14.404 ( 2.146 5.422 -0.908) 5.902 14.539 ( -2.139 7.680 2.347) 8.311 14.572 ( -1.557 4.378 1.540) 4.895 15.249 ( 2.483 9.776 2.652) 10.430 15.323 ( 2.329 2.254 1.501) 3.572 15.510 ( -3.159 4.504 4.226) 6.937 15.530 ( -3.176 2.604 3.396) 5.329 16.878 ( 1.732 6.729 1.485) 7.105 16.954 ( 1.344 -1.237 -0.646) 1.938 16.999 ( -1.160 4.569 -1.174) 4.858 17.043 ( -0.786 -0.191 -1.529) 1.729 19.465 ( 3.179 17.440 0.874) 17.749 19.701 ( 2.514 -6.181 -5.529) 8.666 19.851 ( -8.661 3.726 -0.190) 9.430 19.927 ( -3.911 -4.280 -1.469) 5.981 20.973 ( 10.458 3.389 1.425) 11.086 21.035 ( 9.148 -2.629 -0.233) 9.521 21.197 ( 0.832 4.440 1.347) 4.714 21.283 ( 0.892 -4.105 -0.823) 4.281 22.787 ( 5.612 5.578 -0.055) 7.913 22.902 ( 3.548 -5.091 -3.931) 7.346 23.338 ( -5.826 6.027 5.178) 9.853 23.522 ( -8.666 -11.644 -0.557) 14.525 24.901 ( -0.917 5.903 0.273) 5.980 24.945 ( -1.005 8.649 -0.958) 8.759 25.097 ( 0.294 -10.442 1.826) 10.605 25.180 ( -1.366 -11.680 -0.541) 11.772 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.593 1.575 0.494) 1.754 1.832 ( -4.710 1.872 -0.150) 5.070 1.856 ( 1.392 -6.179 -1.656) 6.547 1.911 ( -3.940 -5.997 -2.116) 7.481 2.430 ( 0.693 3.001 -1.485) 3.419 2.453 ( -1.496 3.924 -1.651) 4.513 2.508 ( 1.490 -4.632 -1.644) 5.136 2.539 ( -1.474 -4.502 -1.866) 5.091 3.566 ( 7.851 14.504 1.640) 16.574 3.682 ( 1.667 7.066 -1.905) 7.506 3.749 ( -5.731 5.101 1.899) 7.904 3.790 ( -5.148 3.651 1.085) 6.403 4.417 ( 4.965 6.989 2.923) 9.058 4.531 ( -6.915 3.013 -0.126) 7.544 4.538 ( 0.560 -4.316 1.308) 4.545 4.605 ( -5.394 -3.643 -0.657) 6.542 4.776 ( 3.509 8.247 -1.080) 9.027 4.847 ( -2.107 9.024 -0.895) 9.310 4.929 ( 4.007 -3.653 -2.538) 5.987 5.024 ( -4.805 -2.829 -3.366) 6.513 5.056 ( -6.550 -0.126 1.043) 6.634 5.079 ( -4.126 2.812 -1.746) 5.289 5.135 ( 0.805 -7.051 -2.692) 7.591 5.206 ( -4.123 -7.413 -0.389) 8.491 6.128 ( 7.334 7.234 -0.662) 10.323 6.169 ( 3.825 5.662 -0.332) 6.841 6.199 ( 8.342 1.976 0.647) 8.597 6.237 ( 6.222 1.267 -0.326) 6.358 6.644 ( 8.272 11.561 1.917) 14.344 6.786 ( -4.139 10.162 -0.037) 10.973 6.899 ( 10.208 -9.646 3.616) 14.502 7.052 ( -3.342 -10.803 0.427) 11.316 7.370 ( 6.014 9.377 -1.070) 11.191 7.486 ( -4.188 1.746 -3.310) 5.616 7.546 ( -2.244 -3.020 0.988) 3.890 7.573 ( -5.357 -1.151 0.088) 5.480 7.803 ( -0.274 5.825 5.492) 8.011 7.880 ( -3.532 3.959 4.235) 6.789 7.942 ( -1.830 -0.775 9.696) 9.898 8.034 ( -6.285 -3.928 5.667) 9.330 8.309 ( 2.563 4.049 10.736) 11.757 8.392 ( -3.594 1.573 9.478) 10.258 8.408 ( 0.090 -2.854 8.739) 9.194 8.468 ( -3.272 -3.568 6.459) 8.072 9.445 ( -0.370 8.541 -6.189) 10.555 9.480 ( -3.506 9.322 -6.849) 12.087 9.541 ( 0.130 -0.913 -7.814) 7.868 9.581 ( -3.413 -0.575 -7.559) 8.314 9.894 ( 1.389 11.124 -2.224) 11.429 9.920 ( -1.272 11.939 0.005) 12.007 10.053 ( 1.139 -2.408 -6.917) 7.412 10.083 ( -1.887 -1.445 -4.384) 4.987 10.574 ( 8.766 11.928 -3.125) 15.129 10.661 ( 1.300 8.643 -6.753) 11.045 10.732 ( 4.221 -1.585 -8.262) 9.412 10.756 ( 1.301 1.227 -8.684) 8.866 10.886 ( 3.848 4.707 -1.792) 6.338 10.945 ( -0.966 -1.280 -5.880) 6.094 11.020 ( 0.164 -6.085 3.117) 6.839 11.037 ( -2.230 -8.468 -0.189) 8.758 11.297 ( 7.589 0.081 7.227) 10.480 11.331 ( 5.718 -2.191 3.472) 7.039 11.507 ( -11.254 1.596 5.693) 12.712 11.520 ( -10.287 0.800 4.357) 11.200 12.766 ( 3.894 -2.742 -1.517) 4.998 12.775 ( 4.339 -3.410 -2.068) 5.893 12.844 ( -3.865 -1.921 -1.440) 4.550 12.869 ( -4.605 -4.203 -2.728) 6.805 14.425 ( 2.594 8.293 0.912) 8.737 14.454 ( 2.138 6.184 -0.319) 6.551 14.491 ( -1.893 6.603 1.782) 7.096 14.527 ( -2.901 3.918 0.676) 4.921 15.319 ( 4.606 8.701 3.631) 10.493 15.383 ( 3.543 2.226 2.597) 4.925 15.422 ( -5.183 6.324 4.155) 9.171 15.461 ( -3.863 2.260 3.351) 5.591 16.921 ( 2.436 6.119 0.467) 6.602 16.966 ( -2.029 5.253 -0.575) 5.661 16.987 ( 1.761 -0.873 -1.021) 2.215 17.020 ( -1.491 -0.522 -1.373) 2.093 19.552 ( 5.622 15.194 0.840) 16.223 19.683 ( -7.854 10.687 0.559) 13.274 19.764 ( 3.759 -6.287 -4.624) 8.662 19.844 ( -4.315 -5.825 -3.097) 7.883 21.140 ( 5.844 4.278 1.171) 7.337 21.192 ( 1.456 3.787 0.155) 4.060 21.226 ( 4.990 -2.464 0.710) 5.611 21.291 ( -0.751 -4.162 -0.609) 4.272 22.951 ( 10.302 2.507 0.216) 10.605 23.024 ( 8.619 -2.983 -2.661) 9.500 23.182 ( -8.699 -0.270 3.212) 9.277 23.295 ( -13.469 -9.830 -0.674) 16.688 24.894 ( 0.439 9.065 0.746) 9.106 24.917 ( -1.646 10.186 0.355) 10.324 25.112 ( 1.369 -12.465 0.476) 12.549 25.146 ( -1.915 -12.455 -0.292) 12.605 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.000 30.437) 30.437 1.413 ( 0.000 0.000 34.961) 34.961 1.711 ( 0.000 0.000 -23.744) 23.744 1.934 ( 0.000 0.000 37.816) 37.816 2.004 ( 0.000 0.000 -29.070) 29.070 2.098 ( 0.000 0.000 1.563) 1.563 2.166 ( 0.000 0.000 10.188) 10.188 2.236 ( 0.000 0.000 4.188) 4.188 2.404 ( 0.000 0.000 -11.598) 11.598 2.750 ( 0.000 0.000 2.437) 2.437 2.756 ( 0.000 0.000 -32.312) 32.312 2.796 ( 0.000 0.000 -2.463) 2.463 3.308 ( 0.000 0.000 3.508) 3.508 3.367 ( 0.000 0.000 -2.774) 2.774 3.654 ( 0.000 0.000 8.102) 8.102 3.669 ( 0.000 0.000 9.648) 9.648 3.773 ( 0.000 0.000 -4.649) 4.649 3.846 ( 0.000 0.000 -8.853) 8.853 3.959 ( 0.000 0.000 13.239) 13.239 4.091 ( 0.000 0.000 -3.949) 3.949 4.223 ( 0.000 0.000 18.864) 18.864 4.491 ( 0.000 0.000 18.793) 18.793 4.659 ( 0.000 0.000 -17.455) 17.455 4.805 ( 0.000 0.000 3.980) 3.980 4.872 ( 0.000 0.000 -26.257) 26.257 4.973 ( 0.000 0.000 -16.266) 16.266 5.477 ( 0.000 0.000 18.007) 18.007 5.680 ( 0.000 0.000 1.130) 1.130 5.703 ( 0.000 0.000 -1.272) 1.272 5.739 ( 0.000 0.000 0.088) 0.088 5.741 ( 0.000 0.000 -0.136) 0.136 5.842 ( 0.000 0.000 -19.975) 19.975 6.566 ( 0.000 0.000 7.584) 7.584 6.720 ( 0.000 0.000 -8.354) 8.354 7.308 ( 0.000 0.000 14.593) 14.593 7.557 ( 0.000 0.000 -10.380) 10.380 7.605 ( 0.000 0.000 9.281) 9.281 7.655 ( 0.000 0.000 1.205) 1.205 7.675 ( 0.000 0.000 -0.865) 0.865 7.744 ( 0.000 0.000 -4.832) 4.832 7.951 ( 0.000 0.000 10.086) 10.086 8.072 ( 0.000 0.000 4.232) 4.232 8.162 ( 0.000 0.000 -12.312) 12.312 8.220 ( 0.000 0.000 6.102) 6.102 8.244 ( 0.000 0.000 -11.212) 11.212 8.303 ( 0.000 0.000 -2.354) 2.354 8.474 ( 0.000 0.000 1.163) 1.163 8.545 ( 0.000 0.000 -6.496) 6.496 8.688 ( 0.000 0.000 7.914) 7.914 8.735 ( 0.000 0.000 1.037) 1.037 8.745 ( 0.000 0.000 -0.098) 0.098 8.801 ( 0.000 0.000 -2.481) 2.481 8.809 ( 0.000 0.000 2.341) 2.341 8.879 ( 0.000 0.000 -6.953) 6.953 8.918 ( 0.000 0.000 1.470) 1.470 8.946 ( 0.000 0.000 -1.383) 1.383 10.245 ( 0.000 0.000 16.118) 16.118 10.584 ( 0.000 0.000 -20.439) 20.439 10.708 ( 0.000 0.000 22.942) 22.942 11.103 ( 0.000 0.000 33.283) 33.283 11.109 ( 0.000 0.000 -19.220) 19.220 11.631 ( 0.000 0.000 -10.076) 10.076 11.792 ( 0.000 0.000 -3.296) 3.296 11.796 ( 0.000 0.000 -16.706) 16.706 12.276 ( 0.000 0.000 11.559) 11.559 12.486 ( 0.000 0.000 -10.553) 10.553 12.515 ( 0.000 0.000 10.219) 10.219 12.701 ( 0.000 0.000 -9.443) 9.443 13.534 ( 0.000 0.000 3.977) 3.977 13.570 ( 0.000 0.000 -1.491) 1.491 13.888 ( 0.000 0.000 5.296) 5.296 13.940 ( 0.000 0.000 -0.494) 0.494 15.014 ( 0.000 0.000 0.048) 0.048 15.015 ( 0.000 0.000 0.702) 0.702 15.068 ( 0.000 0.000 3.624) 3.624 15.128 ( 0.000 0.000 -3.286) 3.286 15.558 ( 0.000 0.000 48.297) 48.297 16.509 ( 0.000 0.000 -50.056) 50.056 16.770 ( 0.000 0.000 2.139) 2.139 16.810 ( 0.000 0.000 -2.057) 2.057 16.895 ( 0.000 0.000 1.872) 1.872 16.930 ( 0.000 0.000 -1.799) 1.799 18.534 ( 0.000 0.000 11.281) 11.281 18.737 ( 0.000 0.000 -10.170) 10.170 20.176 ( 0.000 0.000 11.539) 11.539 20.365 ( 0.000 0.000 -8.707) 8.707 21.388 ( 0.000 0.000 2.723) 2.723 21.439 ( 0.000 0.000 -2.805) 2.805 22.442 ( 0.000 0.000 21.827) 21.827 22.878 ( 0.000 0.000 -24.869) 24.869 24.297 ( 0.000 0.000 6.766) 6.766 24.390 ( 0.000 0.000 -3.632) 3.632 24.856 ( 0.000 0.000 23.118) 23.118 25.315 ( 0.000 0.000 -25.922) 25.922 26.659 ( 0.000 0.000 8.283) 8.283 26.782 ( 0.000 0.000 -5.194) 5.194 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -7.043 0.000 29.224) 30.061 1.568 ( 14.782 0.000 30.137) 33.568 1.577 ( -10.333 0.000 -23.084) 25.291 1.827 ( -15.709 0.000 1.910) 15.825 1.931 ( -14.484 0.000 -6.272) 15.784 2.093 ( 8.590 0.000 -26.283) 27.651 2.165 ( 12.875 0.000 32.167) 34.648 2.408 ( 10.475 0.000 10.216) 14.631 2.529 ( 10.305 0.000 -8.298) 13.231 2.632 ( -11.438 0.000 5.920) 12.879 2.737 ( -6.201 0.000 -5.261) 8.132 2.765 ( 0.115 0.000 -21.121) 21.121 3.313 ( -1.810 0.000 1.416) 2.298 3.375 ( -0.567 0.000 -2.168) 2.241 3.603 ( -1.269 0.000 7.776) 7.878 3.720 ( -3.516 0.000 -4.614) 5.801 3.764 ( 5.051 0.000 6.172) 7.975 3.878 ( 1.710 0.000 -5.927) 6.169 3.961 ( -1.477 0.000 3.873) 4.145 4.026 ( -3.178 0.000 0.361) 3.198 4.329 ( 5.080 0.000 17.285) 18.016 4.457 ( -4.036 0.000 16.107) 16.605 4.635 ( -5.266 0.000 2.271) 5.735 4.717 ( 0.911 0.000 -7.756) 7.810 4.892 ( -5.732 0.000 -17.021) 17.961 4.993 ( 9.673 0.000 -30.542) 32.037 5.377 ( -9.681 0.000 18.233) 20.644 5.670 ( -0.767 0.000 0.865) 1.156 5.687 ( -1.233 0.000 -0.950) 1.557 5.747 ( 0.767 0.000 0.311) 0.827 5.754 ( 0.754 0.000 -0.445) 0.876 5.762 ( -8.144 0.000 -21.966) 23.427 6.607 ( 3.621 0.000 6.895) 7.788 6.738 ( 1.272 0.000 -6.722) 6.841 7.321 ( 1.252 0.000 12.272) 12.336 7.500 ( -3.679 0.000 -3.758) 5.259 7.684 ( 2.998 0.000 1.615) 3.405 7.710 ( 7.752 0.000 0.117) 7.752 7.711 ( 3.691 0.000 -1.108) 3.854 7.763 ( 2.652 0.000 -3.790) 4.625 7.940 ( -1.591 0.000 8.942) 9.083 8.101 ( 2.690 0.000 7.401) 7.874 8.116 ( -5.769 0.000 -8.587) 10.345 8.191 ( -1.510 0.000 5.131) 5.349 8.277 ( 1.123 0.000 -9.419) 9.486 8.279 ( -0.408 0.000 -3.157) 3.183 8.419 ( -4.869 0.000 1.523) 5.102 8.510 ( -3.359 0.000 -7.549) 8.263 8.677 ( 0.644 0.000 5.238) 5.277 8.752 ( -2.608 0.000 -1.154) 2.852 8.783 ( 3.956 0.000 1.194) 4.133 8.802 ( 4.661 0.000 -0.691) 4.711 8.834 ( 0.533 0.000 1.823) 1.899 8.888 ( -0.182 0.000 -4.273) 4.277 8.936 ( 1.385 0.000 1.426) 1.988 8.961 ( 1.187 0.000 -1.180) 1.673 10.265 ( 1.993 0.000 13.587) 13.733 10.553 ( -3.553 0.000 -16.078) 16.466 10.739 ( 3.515 0.000 22.460) 22.733 11.028 ( -4.825 0.000 23.598) 24.086 11.165 ( 4.163 0.000 -15.467) 16.018 11.488 ( -11.769 0.000 -12.014) 16.818 11.646 ( -10.583 0.000 -0.748) 10.610 11.770 ( -5.989 0.000 -13.506) 14.775 12.282 ( 0.633 0.000 10.638) 10.657 12.419 ( -3.907 0.000 0.871) 4.003 12.577 ( 3.487 0.000 -0.977) 3.621 12.695 ( -0.621 0.000 -8.754) 8.776 13.578 ( 4.306 0.000 4.525) 6.247 13.617 ( 4.158 0.000 1.052) 4.289 13.868 ( -1.955 0.000 3.891) 4.354 13.906 ( -3.197 0.000 -0.268) 3.208 14.946 ( -3.237 0.000 2.052) 3.833 14.966 ( -3.440 0.000 -0.655) 3.502 15.149 ( 4.516 0.000 1.134) 4.656 15.185 ( 3.515 0.000 -2.576) 4.358 15.651 ( 10.066 0.000 51.388) 52.364 16.617 ( 11.171 0.000 -49.317) 50.567 16.773 ( 0.268 0.000 1.878) 1.897 16.804 ( -0.531 0.000 -1.330) 1.432 16.900 ( 0.477 0.000 1.195) 1.287 16.928 ( -0.227 0.000 -1.589) 1.605 17.646 ( -65.100 0.000 50.908) 82.641 18.327 ( -37.928 0.000 -26.534) 46.288 20.283 ( 8.314 0.000 8.518) 11.902 20.457 ( 8.029 0.000 -9.469) 12.415 20.976 ( -20.066 0.000 11.277) 23.018 21.138 ( -18.637 0.000 -6.630) 19.782 22.994 ( 36.879 0.000 22.951) 43.437 23.460 ( 31.325 0.000 -24.804) 39.956 24.351 ( 0.194 0.000 -0.551) 0.584 24.371 ( -1.773 0.000 -2.172) 2.804 24.939 ( 10.266 0.000 12.598) 16.252 25.316 ( -0.036 0.000 -24.678) 24.678 26.707 ( 4.142 0.000 5.584) 6.953 26.796 ( 1.203 0.000 -4.024) 4.200 ======================= Grid point 132 (45/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 12.201 0.000 14.088) 18.637 1.416 ( -9.775 0.000 -9.807) 13.846 1.542 ( -8.996 0.000 -10.272) 13.654 1.622 ( -12.583 0.000 -13.373) 18.362 1.926 ( 20.400 0.000 20.933) 29.229 2.272 ( -1.886 0.000 -6.133) 6.416 2.368 ( -4.110 0.000 -0.567) 4.149 2.499 ( 16.755 0.000 23.082) 28.522 2.563 ( -11.182 0.000 -11.488) 16.032 2.598 ( 8.907 0.000 8.619) 12.395 2.687 ( 0.436 0.000 0.031) 0.438 2.772 ( 1.263 0.000 -5.201) 5.352 3.197 ( -4.964 0.000 1.672) 5.238 3.296 ( -8.567 0.000 -7.811) 11.593 3.607 ( 1.493 0.000 3.707) 3.996 3.653 ( -3.060 0.000 -1.223) 3.295 3.850 ( 3.394 0.000 2.167) 4.027 3.890 ( -0.671 0.000 -2.072) 2.178 3.929 ( -0.014 0.000 -1.258) 1.258 3.968 ( -3.016 0.000 -0.686) 3.093 4.317 ( -2.462 0.000 11.950) 12.201 4.334 ( -4.887 0.000 9.115) 10.342 4.685 ( 3.958 0.000 -2.620) 4.746 4.744 ( -1.664 0.000 -12.143) 12.257 4.860 ( 9.120 0.000 4.256) 10.064 5.126 ( -14.153 0.000 14.243) 20.079 5.255 ( 14.591 0.000 -27.502) 31.133 5.542 ( -13.740 0.000 -25.505) 28.971 5.659 ( -0.153 0.000 0.309) 0.345 5.666 ( -0.795 0.000 -0.357) 0.871 5.761 ( 0.483 0.000 0.062) 0.487 5.764 ( 0.168 0.000 -0.281) 0.327 6.684 ( 3.835 0.000 4.018) 5.555 6.740 ( -1.482 0.000 -1.726) 2.275 7.358 ( 2.618 0.000 5.219) 5.839 7.423 ( -3.895 0.000 -1.155) 4.062 7.766 ( 5.173 0.000 2.977) 5.969 7.814 ( 6.490 0.000 -1.453) 6.651 7.846 ( 4.783 0.000 -0.585) 4.819 7.857 ( 4.941 0.000 -1.900) 5.294 7.874 ( -4.820 0.000 4.934) 6.898 7.966 ( -8.339 0.000 -3.849) 9.184 8.147 ( 2.400 0.000 5.455) 5.959 8.201 ( 2.630 0.000 5.478) 6.077 8.233 ( -5.116 0.000 -3.114) 5.989 8.271 ( -2.990 0.000 3.145) 4.340 8.356 ( 1.091 0.000 -5.726) 5.829 8.426 ( -4.644 0.000 -8.236) 9.455 8.722 ( 3.405 0.000 3.436) 4.838 8.767 ( 4.125 0.000 -0.907) 4.224 8.804 ( -3.495 0.000 2.776) 4.463 8.853 ( -3.430 0.000 -2.046) 3.993 8.858 ( 2.864 0.000 0.639) 2.935 8.872 ( 1.699 0.000 -0.904) 1.924 8.961 ( 1.125 0.000 1.033) 1.527 8.975 ( -0.048 0.000 -0.472) 0.475 10.326 ( 4.502 0.000 7.073) 8.385 10.443 ( -6.922 0.000 -3.567) 7.787 10.846 ( 6.766 0.000 20.287) 21.386 10.952 ( -3.518 0.000 18.632) 18.962 11.247 ( 1.968 0.000 -16.453) 16.570 11.291 ( -5.804 0.000 -15.831) 16.861 11.480 ( -2.241 0.000 1.369) 2.626 11.596 ( -10.129 0.000 -11.622) 15.416 12.304 ( 1.706 0.000 8.205) 8.380 12.350 ( -3.015 0.000 4.897) 5.751 12.636 ( 2.531 0.000 -4.394) 5.071 12.675 ( -1.476 0.000 -6.937) 7.092 13.675 ( 4.729 0.000 6.471) 8.015 13.699 ( 3.128 0.000 6.303) 7.036 13.819 ( -2.462 0.000 -0.630) 2.541 13.833 ( -3.546 0.000 -1.007) 3.687 14.907 ( -0.806 0.000 1.210) 1.454 14.915 ( -1.624 0.000 0.190) 1.635 15.213 ( 2.019 0.000 0.225) 2.031 15.227 ( 0.684 0.000 -1.004) 1.215 15.965 ( 22.584 0.000 56.606) 60.945 16.573 ( -41.479 0.000 63.335) 75.709 16.780 ( 0.513 0.000 1.132) 1.242 16.792 ( -0.656 0.000 -0.009) 0.656 16.911 ( 0.576 0.000 0.005) 0.576 16.921 ( -0.441 0.000 -0.973) 1.068 16.957 ( 23.382 0.000 -47.628) 53.058 17.551 ( -37.070 0.000 -42.028) 56.040 20.462 ( 9.929 0.000 8.198) 12.876 20.620 ( 4.057 0.000 -6.529) 7.687 20.702 ( -6.111 0.000 6.740) 9.098 20.854 ( -11.516 0.000 -7.579) 13.786 23.602 ( 23.710 0.000 18.177) 29.876 23.816 ( 5.008 0.000 -1.683) 5.283 24.256 ( -4.902 0.000 2.145) 5.351 24.297 ( -5.934 0.000 -1.950) 6.246 25.172 ( 10.106 0.000 -9.577) 13.923 25.295 ( -2.913 0.000 -19.213) 19.433 26.783 ( 2.980 0.000 1.456) 3.316 26.812 ( -0.024 0.000 -1.503) 1.503 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 0.050 28.282) 28.283 1.370 ( 0.000 14.676 22.788) 27.104 1.826 ( 0.000 10.779 -17.779) 20.791 1.895 ( 0.000 -4.748 -22.540) 23.035 2.138 ( 0.000 2.307 5.462) 5.930 2.159 ( 0.000 8.007 1.854) 8.218 2.294 ( 0.000 5.402 -6.599) 8.528 2.321 ( 0.000 -0.970 -0.057) 0.972 2.402 ( 0.000 23.482 24.726) 34.100 2.741 ( 0.000 -0.523 3.433) 3.473 2.822 ( 0.000 1.896 -3.633) 4.098 2.908 ( 0.000 11.529 -20.116) 23.185 3.320 ( 0.000 -0.883 -0.060) 0.885 3.321 ( 0.000 3.262 -0.159) 3.266 3.729 ( 0.000 1.730 7.847) 8.035 3.821 ( 0.000 7.138 -1.283) 7.252 3.872 ( 0.000 4.025 14.588) 15.133 4.045 ( 0.000 18.633 -7.762) 20.186 4.091 ( 0.000 22.815 4.085) 23.178 4.163 ( 0.000 11.912 -4.766) 12.830 4.243 ( 0.000 2.520 15.821) 16.020 4.679 ( 0.000 14.988 18.575) 23.868 4.684 ( 0.000 2.788 -22.867) 23.036 4.815 ( 0.000 6.411 3.929) 7.519 4.921 ( 0.000 4.341 -13.136) 13.835 5.049 ( 0.000 12.138 -18.814) 22.390 5.400 ( 0.000 -2.596 17.401) 17.594 5.697 ( 0.000 -1.547 -12.761) 12.855 5.995 ( 0.000 25.187 2.053) 25.271 6.053 ( 0.000 25.900 -4.267) 26.249 6.054 ( 0.000 29.752 2.270) 29.839 6.123 ( 0.000 27.885 -6.255) 28.578 6.531 ( 0.000 -2.294 8.401) 8.709 6.691 ( 0.000 -2.593 -8.539) 8.924 7.243 ( 0.000 -6.042 13.157) 14.478 7.450 ( 0.000 -10.729 -6.614) 12.604 7.551 ( 0.000 -4.609 7.172) 8.525 7.588 ( 0.000 -11.317 0.842) 11.348 7.876 ( 0.000 -8.196 1.559) 8.343 7.910 ( 0.000 15.937 3.812) 16.387 7.970 ( 0.000 -15.109 -4.933) 15.894 8.004 ( 0.000 14.436 -1.223) 14.488 8.288 ( 0.000 11.041 -4.101) 11.778 8.293 ( 0.000 16.426 -4.542) 17.042 8.375 ( 0.000 7.520 0.766) 7.559 8.390 ( 0.000 3.359 -1.134) 3.546 8.549 ( 0.000 0.410 -1.163) 1.233 8.571 ( 0.000 5.314 -3.691) 6.470 8.659 ( 0.000 11.037 -4.352) 11.864 8.687 ( 0.000 -2.177 -5.023) 5.474 8.806 ( 0.000 14.026 -0.183) 14.027 8.865 ( 0.000 13.086 -4.976) 14.000 8.888 ( 0.000 8.539 2.549) 8.912 8.959 ( 0.000 7.255 -4.604) 8.593 9.252 ( 0.000 19.110 -0.423) 19.114 9.268 ( 0.000 25.809 -3.983) 26.114 10.293 ( 0.000 4.874 14.934) 15.709 10.612 ( 0.000 2.915 -19.545) 19.761 10.722 ( 0.000 1.840 21.470) 21.549 11.086 ( 0.000 -0.191 29.713) 29.713 11.094 ( 0.000 -0.685 -17.767) 17.780 11.550 ( 0.000 -6.203 -13.723) 15.059 11.720 ( 0.000 -3.757 -5.178) 6.398 11.740 ( 0.000 -4.338 -2.295) 4.908 12.521 ( 0.000 21.108 10.359) 23.513 12.660 ( 0.000 13.171 8.676) 15.772 12.698 ( 0.000 14.574 -8.154) 16.700 12.859 ( 0.000 13.048 -13.088) 18.481 13.573 ( 0.000 0.407 -0.096) 0.418 13.588 ( 0.000 5.375 -1.105) 5.488 13.880 ( 0.000 -0.661 2.689) 2.769 13.907 ( 0.000 -3.129 0.083) 3.130 15.171 ( 0.000 0.265 19.736) 19.737 15.180 ( 0.000 14.531 1.917) 14.657 15.202 ( 0.000 13.428 -0.287) 13.431 15.221 ( 0.000 10.763 -0.237) 10.766 15.342 ( 0.000 -3.345 16.349) 16.688 15.870 ( 0.000 -36.610 -24.311) 43.946 16.534 ( 0.000 -25.042 2.265) 25.144 16.609 ( 0.000 -25.512 -4.635) 25.929 17.034 ( 0.000 21.665 15.587) 26.689 17.434 ( 0.000 35.620 -27.185) 44.808 18.987 ( 0.000 34.213 0.593) 34.218 19.060 ( 0.000 26.069 -5.554) 26.654 20.221 ( 0.000 4.607 11.914) 12.774 20.414 ( 0.000 4.943 -8.876) 10.159 21.385 ( 0.000 -0.549 3.297) 3.342 21.442 ( 0.000 0.124 -2.901) 2.904 22.403 ( 0.000 -3.290 18.700) 18.987 22.753 ( 0.000 -10.777 -17.729) 20.748 24.214 ( 0.000 -7.094 11.177) 13.238 24.349 ( 0.000 -3.910 -4.652) 6.077 24.823 ( 0.000 -2.524 22.237) 22.379 25.268 ( 0.000 -4.528 -25.034) 25.441 26.559 ( 0.000 -9.729 7.308) 12.168 26.656 ( 0.000 -11.606 -3.249) 12.052 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -7.394 14.712 24.194) 29.265 1.439 ( 8.170 -1.608 19.302) 21.021 1.729 ( -7.305 11.310 -13.617) 19.149 1.880 ( -7.176 -2.335 -11.949) 14.133 1.922 ( -9.566 7.340 0.165) 12.059 2.100 ( -2.450 2.676 -17.190) 17.569 2.381 ( 8.843 -0.261 7.267) 11.449 2.492 ( 5.585 4.400 1.722) 7.315 2.509 ( 10.142 18.600 19.684) 28.918 2.657 ( -5.898 -0.445 2.670) 6.489 2.754 ( -6.627 1.008 -5.674) 8.782 2.881 ( -2.154 9.959 -13.328) 16.777 3.292 ( -2.023 -1.605 2.780) 3.794 3.329 ( -0.330 3.339 -2.600) 4.245 3.767 ( -2.011 3.264 2.137) 4.389 3.784 ( 1.025 7.456 0.050) 7.526 3.925 ( 2.232 10.124 6.980) 12.498 4.033 ( 0.751 12.337 -2.573) 12.624 4.113 ( 1.388 20.692 3.609) 21.050 4.168 ( 0.474 16.664 -2.119) 16.804 4.338 ( 8.036 4.185 17.491) 19.698 4.639 ( -2.474 3.124 7.474) 8.469 4.663 ( -7.093 19.534 9.034) 22.661 4.791 ( 2.603 5.585 -6.987) 9.316 4.924 ( 0.519 3.762 -23.135) 23.445 5.018 ( -0.832 9.617 -19.803) 22.030 5.311 ( -8.848 -2.624 17.528) 19.809 5.634 ( -6.582 -2.683 -15.316) 16.885 5.993 ( -0.142 25.866 1.832) 25.931 6.036 ( -1.406 28.910 0.568) 28.950 6.050 ( -0.246 25.398 -2.688) 25.541 6.099 ( -1.910 28.377 -5.307) 28.932 6.576 ( 3.951 -1.746 7.694) 8.824 6.713 ( 1.480 -1.746 -6.728) 7.107 7.244 ( 0.070 -7.266 10.946) 13.139 7.411 ( -4.367 -8.554 -4.965) 10.812 7.544 ( 2.110 -12.332 5.577) 13.698 7.627 ( 2.391 -9.000 -2.176) 9.563 7.848 ( -0.289 -10.545 6.118) 12.195 7.925 ( 1.319 11.834 3.022) 12.285 8.001 ( 0.925 6.433 -2.042) 6.812 8.041 ( 2.111 -2.856 -6.462) 7.374 8.241 ( -4.325 9.811 -0.095) 10.722 8.281 ( -6.333 15.765 -1.633) 17.068 8.374 ( 5.993 11.236 -1.682) 12.845 8.413 ( 4.801 8.925 -4.260) 10.993 8.576 ( 1.267 -0.567 0.443) 1.457 8.616 ( 2.688 6.918 -2.956) 7.989 8.663 ( 1.237 8.113 -2.051) 8.460 8.706 ( 0.302 -0.421 -1.978) 2.045 8.780 ( -1.963 13.426 -4.743) 14.374 8.801 ( -4.285 15.095 -4.131) 16.226 8.943 ( 3.532 7.421 2.887) 8.711 8.999 ( 3.289 7.241 -3.009) 8.504 9.228 ( -2.208 20.233 -0.122) 20.353 9.249 ( -1.970 21.987 -2.917) 22.267 10.310 ( 1.739 4.506 12.444) 13.349 10.583 ( -3.335 2.969 -16.213) 16.816 10.742 ( 2.389 0.888 21.291) 21.443 11.001 ( -5.146 -1.506 18.090) 18.868 11.153 ( 3.423 -0.053 -10.303) 10.856 11.436 ( -9.315 -3.666 -12.078) 15.687 11.621 ( -8.434 -1.441 -0.264) 8.560 11.701 ( -5.116 -4.508 -8.001) 10.513 12.526 ( 0.507 20.794 9.831) 23.007 12.627 ( -2.640 15.911 6.554) 17.409 12.715 ( 1.255 11.309 -6.253) 12.983 12.832 ( -2.369 11.927 -11.924) 17.031 13.604 ( 3.568 1.205 2.011) 4.269 13.644 ( 4.485 3.851 -0.181) 5.914 13.865 ( -1.638 -0.389 1.406) 2.193 13.878 ( -2.652 -2.533 0.585) 3.714 15.115 ( -1.760 14.734 5.951) 15.988 15.153 ( -2.234 15.560 -0.547) 15.729 15.263 ( 2.422 8.394 2.461) 9.076 15.301 ( 3.839 12.749 -1.447) 13.393 15.381 ( 7.438 -16.234 31.186) 35.936 15.933 ( 6.157 -37.204 -22.332) 43.827 16.426 ( -11.388 -26.655 7.549) 29.953 16.551 ( -5.937 -27.347 -5.694) 28.557 17.065 ( 3.203 22.548 16.792) 28.296 17.487 ( 5.541 35.920 -27.705) 45.700 18.234 ( -52.578 40.233 32.916) 73.936 18.717 ( -31.960 30.268 -20.351) 48.495 20.337 ( 8.635 5.445 8.323) 13.171 20.508 ( 8.120 5.013 -9.248) 13.288 21.006 ( -18.781 2.995 10.690) 21.817 21.161 ( -17.475 2.307 -6.402) 18.754 22.943 ( 36.288 -4.777 19.711) 41.571 23.349 ( 34.254 -10.810 -22.643) 42.460 24.277 ( 3.091 -7.090 2.526) 8.137 24.333 ( -1.966 -3.692 -2.882) 5.080 24.859 ( 5.871 -6.245 17.295) 19.303 25.255 ( -1.389 -5.790 -23.953) 24.682 26.588 ( 2.663 -11.259 5.698) 12.896 26.663 ( 0.556 -12.282 -2.384) 12.523 ======================= Grid point 137 (48/63) ======================= q-point: ( 0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.938 11.945 15.400) 21.441 1.512 ( -7.693 8.987 -5.949) 13.242 1.559 ( -4.839 1.870 -0.837) 5.255 1.666 ( -10.094 4.587 -10.392) 15.196 1.930 ( 13.382 5.923 11.501) 18.613 2.194 ( -0.185 -5.247 -4.995) 7.247 2.330 ( -4.347 0.323 -0.510) 4.389 2.497 ( -7.101 -2.468 -7.464) 10.593 2.622 ( 1.688 0.208 2.223) 2.799 2.682 ( -0.162 -0.849 0.525) 1.011 2.733 ( 10.566 12.427 7.978) 18.159 2.852 ( -1.153 6.222 -3.194) 7.089 3.250 ( -1.231 4.458 2.179) 5.112 3.288 ( -3.594 4.776 -1.962) 6.290 3.722 ( -1.282 7.073 -2.384) 7.573 3.746 ( -3.431 8.163 -4.943) 10.141 3.978 ( 2.724 9.349 5.224) 11.051 4.025 ( -2.013 8.628 1.027) 8.919 4.143 ( 1.535 22.141 4.817) 22.711 4.166 ( -0.673 20.810 2.375) 20.956 4.462 ( 3.722 13.870 14.086) 20.116 4.534 ( -4.576 20.268 10.794) 23.415 4.699 ( 7.720 1.934 3.850) 8.841 4.843 ( -5.975 12.214 -14.336) 19.758 4.848 ( 5.543 2.612 -2.230) 6.521 5.066 ( -11.922 -2.469 10.080) 15.806 5.192 ( 11.578 -1.633 -21.185) 24.198 5.446 ( -12.248 -3.270 -20.447) 24.058 5.994 ( 0.371 27.433 1.256) 27.465 6.009 ( -1.154 28.406 0.666) 28.437 6.051 ( 0.418 25.337 -2.912) 25.507 6.067 ( -1.236 27.133 -3.727) 27.416 6.659 ( 4.090 -0.989 4.701) 6.309 6.717 ( -1.444 -0.822 -1.268) 2.091 7.256 ( 1.669 -9.516 4.476) 10.648 7.317 ( -4.432 -9.757 -1.297) 10.794 7.615 ( 4.017 -13.426 4.258) 14.647 7.662 ( -0.049 -11.944 0.648) 11.962 7.881 ( 3.640 -12.975 2.559) 13.717 7.944 ( -0.780 -4.067 -1.560) 4.425 8.013 ( 0.972 8.750 -0.248) 8.808 8.046 ( -1.025 5.975 -3.356) 6.929 8.154 ( -3.149 15.527 -0.373) 15.847 8.169 ( -4.057 18.704 -1.553) 19.202 8.522 ( 7.569 15.094 0.152) 16.886 8.547 ( 7.399 11.332 -1.633) 13.632 8.623 ( 3.226 -0.149 0.339) 3.247 8.630 ( -0.859 16.568 -2.005) 16.711 8.663 ( -3.521 10.358 -1.439) 11.035 8.693 ( 0.529 -3.270 0.277) 3.324 8.703 ( -4.563 14.206 -4.527) 15.593 8.737 ( -3.667 5.269 -3.896) 7.509 9.019 ( 3.862 7.728 3.004) 9.147 9.055 ( 1.245 7.180 -0.471) 7.302 9.183 ( -1.420 19.465 -0.516) 19.524 9.202 ( -2.472 18.196 -2.122) 18.485 10.367 ( 4.358 4.047 5.686) 8.229 10.480 ( -6.583 3.513 -4.979) 8.971 10.820 ( 5.226 -1.762 19.465) 20.231 10.914 ( -4.029 -2.856 16.960) 17.664 11.217 ( 2.444 -0.928 -14.446) 14.681 11.280 ( -5.294 0.021 -15.377) 16.263 11.483 ( -2.429 0.482 1.273) 2.785 11.561 ( -7.837 -2.186 -7.629) 11.153 12.542 ( 1.256 19.903 8.449) 21.658 12.576 ( -2.264 18.255 7.019) 19.689 12.744 ( 1.730 9.211 -7.071) 11.741 12.783 ( -2.361 9.731 -9.248) 13.631 13.692 ( 4.745 0.690 4.645) 6.676 13.730 ( 3.150 3.117 3.858) 5.875 13.809 ( -2.991 -1.631 -1.588) 3.758 13.827 ( -2.729 0.335 -0.805) 2.865 15.100 ( 0.104 18.788 2.089) 18.904 15.116 ( -1.480 18.969 -0.228) 19.028 15.301 ( 1.447 6.788 2.680) 7.440 15.318 ( -0.327 8.294 0.930) 8.352 15.642 ( 17.337 -20.700 31.085) 41.174 15.992 ( -11.879 -33.284 9.741) 36.658 16.202 ( 1.684 -27.772 -2.154) 27.907 16.384 ( -10.636 -31.116 -9.342) 34.185 17.170 ( 8.247 26.701 21.754) 35.415 17.445 ( -21.782 34.894 30.849) 51.417 17.700 ( 12.237 39.174 -27.964) 49.662 18.096 ( -27.570 36.402 -31.289) 55.355 20.518 ( 9.958 5.520 8.357) 14.123 20.684 ( 7.927 5.961 -8.676) 13.178 20.733 ( -9.698 3.505 8.943) 13.650 20.891 ( -11.170 3.875 -7.574) 14.041 23.544 ( 23.132 -5.725 16.044) 28.728 23.741 ( 5.595 -7.484 -2.532) 9.681 24.237 ( -3.628 -2.142 1.604) 4.508 24.267 ( -4.712 -2.889 -1.660) 5.771 25.052 ( 10.659 -11.051 -5.273) 16.234 25.202 ( -4.638 -8.816 -18.340) 20.871 26.641 ( 2.290 -13.363 2.449) 13.777 26.667 ( -0.380 -13.450 -0.323) 13.459 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 11.389 9.919) 15.102 1.629 ( 0.000 8.405 -1.450) 8.529 1.955 ( 0.000 11.932 -1.166) 11.989 2.067 ( 0.000 11.506 -7.958) 13.990 2.177 ( 0.000 1.216 2.542) 2.818 2.235 ( 0.000 -3.951 -3.366) 5.190 2.370 ( 0.000 13.959 2.592) 14.198 2.463 ( 0.000 11.626 -7.659) 13.922 2.717 ( 0.000 -1.744 7.368) 7.572 2.838 ( 0.000 4.197 -3.451) 5.433 2.932 ( 0.000 18.727 10.912) 21.675 3.098 ( 0.000 7.192 -3.790) 8.130 3.415 ( 0.000 10.691 1.695) 10.825 3.500 ( 0.000 15.386 -6.866) 16.848 3.747 ( 0.000 2.018 10.571) 10.762 3.928 ( 0.000 6.128 -9.119) 10.986 4.006 ( 0.000 9.735 18.064) 20.520 4.301 ( 0.000 6.019 9.987) 11.660 4.302 ( 0.000 12.215 -12.339) 17.362 4.515 ( 0.000 10.986 -12.322) 16.508 4.764 ( 0.000 39.628 9.414) 40.731 4.805 ( 0.000 5.495 8.502) 10.124 4.861 ( 0.000 12.514 -6.780) 14.233 5.106 ( 0.000 19.768 -17.770) 26.581 5.189 ( 0.000 14.343 9.895) 17.425 5.410 ( 0.000 17.741 -13.794) 22.473 5.493 ( 0.000 18.055 14.946) 23.438 5.722 ( 0.000 8.271 -9.388) 12.512 6.330 ( 0.000 -3.650 6.675) 7.608 6.446 ( 0.000 5.984 -6.085) 8.534 6.673 ( 0.000 24.324 0.883) 24.340 6.691 ( 0.000 20.559 -0.579) 20.567 6.758 ( 0.000 28.580 3.210) 28.760 6.838 ( 0.000 32.638 -5.056) 33.027 7.118 ( 0.000 -6.684 7.625) 10.140 7.160 ( 0.000 -16.650 4.235) 17.180 7.430 ( 0.000 -2.514 -0.949) 2.687 7.442 ( 0.000 2.084 -4.760) 5.196 7.684 ( 0.000 -7.221 8.872) 11.439 7.796 ( 0.000 -1.480 -3.391) 3.700 8.154 ( 0.000 5.848 3.780) 6.963 8.216 ( 0.000 8.238 1.131) 8.315 8.338 ( 0.000 1.330 0.841) 1.573 8.409 ( 0.000 -1.204 -3.636) 3.830 8.441 ( 0.000 -2.486 3.626) 4.397 8.562 ( 0.000 13.113 5.177) 14.098 8.590 ( 0.000 5.029 -1.881) 5.369 8.706 ( 0.000 13.952 -1.852) 14.074 8.866 ( 0.000 18.802 0.651) 18.813 8.975 ( 0.000 5.600 3.818) 6.778 9.077 ( 0.000 14.613 0.778) 14.634 9.112 ( 0.000 9.742 -5.444) 11.160 9.150 ( 0.000 12.924 -3.168) 13.306 9.246 ( 0.000 23.680 -25.379) 34.711 9.627 ( 0.000 18.626 4.381) 19.134 9.801 ( 0.000 24.527 -17.527) 30.146 10.423 ( 0.000 7.467 12.050) 14.176 10.693 ( 0.000 4.711 -17.212) 17.845 10.805 ( 0.000 7.589 19.269) 20.709 11.124 ( 0.000 3.551 23.208) 23.478 11.130 ( 0.000 5.661 -15.350) 16.361 11.447 ( 0.000 -4.230 -8.930) 9.881 11.655 ( 0.000 -3.683 0.352) 3.700 11.690 ( 0.000 0.470 -5.042) 5.064 12.911 ( 0.000 14.268 -0.108) 14.268 12.911 ( 0.000 6.178 -0.746) 6.223 12.964 ( 0.000 15.741 6.044) 16.861 13.075 ( 0.000 7.084 -4.757) 8.533 13.600 ( 0.000 3.271 4.654) 5.689 13.732 ( 0.000 8.762 -9.610) 13.005 13.839 ( 0.000 -2.826 2.040) 3.486 13.873 ( 0.000 0.184 -1.927) 1.936 14.821 ( 0.000 -18.143 25.092) 30.964 15.215 ( 0.000 -24.493 -16.737) 29.666 15.450 ( 0.000 8.085 3.391) 8.767 15.457 ( 0.000 0.990 5.878) 5.961 15.609 ( 0.000 23.852 6.475) 24.715 15.700 ( 0.000 28.978 -4.565) 29.335 16.188 ( 0.000 -10.996 -3.317) 11.486 16.271 ( 0.000 3.538 -14.499) 14.924 17.497 ( 0.000 24.721 28.866) 38.005 18.078 ( 0.000 29.747 -32.748) 44.241 19.558 ( 0.000 22.113 -0.658) 22.123 19.595 ( 0.000 25.178 -6.482) 25.999 20.355 ( 0.000 8.752 12.064) 14.904 20.549 ( 0.000 8.282 -8.826) 12.103 21.352 ( 0.000 -3.104 5.695) 6.486 21.435 ( 0.000 -1.102 -3.562) 3.729 22.351 ( 0.000 -0.998 12.435) 12.475 22.558 ( 0.000 -6.825 -8.131) 10.616 24.064 ( 0.000 -7.727 14.332) 16.282 24.249 ( 0.000 -6.044 -6.435) 8.828 24.779 ( 0.000 -1.796 17.836) 17.926 25.153 ( 0.000 -6.695 -21.610) 22.623 26.307 ( 0.000 -15.094 5.378) 16.023 26.371 ( 0.000 -16.558 -1.753) 16.651 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.723 9.624 12.610) 15.879 1.622 ( 0.794 12.401 0.746) 12.449 1.898 ( -5.436 8.383 -2.377) 10.270 1.991 ( -6.733 13.090 -8.223) 16.862 2.120 ( -3.412 7.677 0.648) 8.426 2.167 ( -4.498 3.338 -3.991) 6.878 2.423 ( 3.125 6.084 6.066) 9.142 2.552 ( 5.711 6.699 -7.776) 11.745 2.627 ( -6.013 -0.180 4.062) 7.259 2.736 ( -8.760 0.131 -6.243) 10.758 2.931 ( -0.401 15.198 8.708) 17.520 3.055 ( -3.974 7.123 -3.468) 8.864 3.407 ( -0.242 11.660 4.270) 12.420 3.484 ( -1.411 12.721 -3.925) 13.387 3.834 ( 5.641 5.666 4.235) 9.047 3.939 ( 1.246 8.934 -5.805) 10.727 4.103 ( 7.063 9.376 13.042) 17.547 4.233 ( -2.874 9.414 4.202) 10.702 4.378 ( 3.146 7.639 -1.495) 8.396 4.505 ( 0.420 9.263 -9.729) 13.440 4.769 ( -1.382 15.909 11.882) 19.904 4.814 ( 4.446 31.159 7.516) 32.359 4.894 ( 1.619 9.004 -7.569) 11.874 5.070 ( -3.513 12.818 -3.402) 13.719 5.202 ( 2.455 21.550 -5.556) 22.390 5.370 ( -3.634 19.485 -13.036) 23.724 5.419 ( -7.233 21.005 14.406) 26.477 5.679 ( -4.476 11.076 -11.022) 16.254 6.342 ( 1.170 -1.678 4.605) 5.039 6.428 ( -1.467 6.233 -4.896) 8.060 6.674 ( 0.378 25.498 1.787) 25.563 6.695 ( -0.474 29.754 0.073) 29.758 6.783 ( 2.738 21.152 1.833) 21.407 6.846 ( 1.122 24.873 -4.364) 25.278 7.069 ( -3.882 -7.896 6.778) 11.107 7.160 ( -2.883 -14.028 -1.766) 14.430 7.358 ( -0.935 -0.002 6.887) 6.951 7.499 ( 2.709 -0.221 -5.684) 6.301 7.657 ( -1.569 -6.336 9.541) 11.560 7.823 ( 0.295 -4.334 -7.109) 8.331 8.142 ( -0.252 4.754 4.614) 6.630 8.234 ( -0.064 8.297 -4.177) 9.289 8.348 ( 3.527 2.194 8.726) 9.665 8.435 ( 2.531 2.099 -0.359) 3.308 8.490 ( 2.476 -3.116 3.742) 5.463 8.581 ( 0.737 11.404 5.351) 12.619 8.620 ( 1.867 10.125 -2.655) 10.633 8.668 ( -0.325 8.522 -8.134) 11.785 8.863 ( -0.293 15.934 5.574) 16.884 9.003 ( 1.809 5.862 0.754) 6.181 9.080 ( -2.148 9.723 -5.012) 11.147 9.141 ( 4.015 19.935 -6.295) 21.287 9.174 ( 2.052 15.010 -2.678) 15.384 9.252 ( 1.891 21.352 -16.609) 27.117 9.604 ( -2.243 18.631 3.076) 19.016 9.749 ( -5.274 24.103 -14.789) 28.766 10.426 ( 0.471 6.310 9.512) 11.425 10.653 ( -4.147 3.326 -14.614) 15.551 10.809 ( 0.623 7.004 18.694) 19.973 11.015 ( -6.172 3.878 11.249) 13.404 11.208 ( 3.409 5.817 -4.872) 8.318 11.386 ( -4.617 -1.483 -7.716) 9.113 11.613 ( -5.079 -0.730 -1.583) 5.370 11.635 ( -4.532 -0.574 -5.040) 6.803 12.869 ( -2.251 7.729 1.916) 8.275 12.907 ( -1.348 12.530 -0.624) 12.618 12.974 ( 0.514 14.224 2.040) 14.379 13.049 ( -2.353 8.211 -4.237) 9.534 13.633 ( 3.083 2.885 5.411) 6.864 13.757 ( 2.279 6.925 -7.313) 10.326 13.821 ( -1.732 -1.995 2.225) 3.454 13.867 ( -0.632 0.570 -2.432) 2.577 14.897 ( 7.440 -18.337 24.793) 31.722 15.277 ( 5.792 -23.981 -15.425) 29.096 15.420 ( -3.271 -1.499 9.028) 9.719 15.462 ( 0.348 5.299 2.684) 5.950 15.604 ( -0.184 25.028 5.598) 25.647 15.717 ( 1.559 28.342 -6.909) 29.213 16.122 ( -6.378 -8.800 -3.283) 11.353 16.198 ( -6.957 7.154 -13.324) 16.647 17.548 ( 5.437 25.860 30.113) 40.064 18.136 ( 5.761 29.990 -31.846) 44.122 18.959 ( -45.350 31.591 21.024) 59.132 19.288 ( -26.258 25.546 -14.497) 39.398 20.487 ( 8.785 9.278 7.460) 14.796 20.642 ( 7.913 8.102 -8.365) 14.079 21.088 ( -14.189 4.966 9.144) 17.596 21.225 ( -13.596 3.869 -5.778) 15.271 22.832 ( 33.203 -5.694 11.993) 35.759 23.082 ( 35.760 -14.565 -14.054) 41.090 24.109 ( 3.827 -9.261 9.121) 13.550 24.234 ( -1.664 -6.239 -4.731) 8.004 24.756 ( -1.013 -3.687 16.883) 17.310 25.112 ( -4.161 -8.051 -20.754) 22.647 26.309 ( 0.295 -16.091 4.835) 16.805 26.363 ( -0.777 -17.222 -1.207) 17.282 ======================= Grid point 142 (51/63) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 5.961 10.920 16.195) 20.422 1.672 ( -1.753 9.200 -0.809) 9.400 1.730 ( -5.395 12.814 4.998) 14.774 1.841 ( -8.369 13.187 -6.465) 16.903 2.110 ( 2.174 5.856 -2.367) 6.679 2.132 ( 0.433 1.739 -4.579) 4.917 2.408 ( -1.208 4.019 0.400) 4.215 2.504 ( -9.268 1.125 -8.629) 12.713 2.624 ( 3.759 4.447 0.829) 5.881 2.668 ( 0.803 4.187 -2.965) 5.193 2.922 ( 0.355 7.500 2.006) 7.772 2.969 ( -4.049 5.878 -2.663) 7.618 3.419 ( 1.499 11.481 3.756) 12.172 3.453 ( -1.717 10.416 0.404) 10.564 3.907 ( 2.477 11.808 -1.448) 12.151 3.947 ( -1.125 12.167 -5.146) 13.258 4.166 ( 0.237 10.449 6.905) 12.527 4.187 ( -2.156 9.075 5.398) 10.777 4.465 ( 6.361 5.608 4.114) 9.425 4.538 ( 0.285 8.550 -2.313) 8.862 4.782 ( 2.749 15.329 7.213) 17.163 4.862 ( -4.172 10.238 1.829) 11.205 4.947 ( 7.997 23.356 10.664) 26.892 5.041 ( 1.100 8.471 -5.104) 9.951 5.187 ( -5.089 20.093 1.813) 20.806 5.245 ( -9.059 27.477 5.783) 29.504 5.388 ( 7.378 25.456 -17.207) 31.600 5.553 ( -8.145 17.649 -14.922) 24.505 6.370 ( 1.616 2.159 0.820) 2.819 6.400 ( -1.419 5.174 -2.414) 5.883 6.678 ( -0.130 31.406 0.713) 31.414 6.680 ( -0.602 32.692 0.465) 32.700 6.854 ( 4.256 21.700 2.122) 22.215 6.888 ( 2.180 17.454 -1.275) 17.635 6.996 ( -2.588 -11.929 2.875) 12.541 7.044 ( -6.530 -13.006 -2.044) 14.696 7.420 ( 5.118 -3.167 9.489) 11.237 7.507 ( -2.862 -1.481 5.079) 6.015 7.674 ( 4.108 -6.104 -2.571) 7.794 7.773 ( -4.813 -5.340 -8.425) 11.075 8.165 ( 2.242 5.168 3.081) 6.421 8.209 ( -1.968 6.599 -1.369) 7.021 8.443 ( 4.306 10.753 9.008) 14.673 8.480 ( 1.292 4.508 1.938) 5.074 8.512 ( 0.519 -5.522 2.042) 5.910 8.546 ( -3.891 7.327 4.141) 9.272 8.655 ( 4.842 8.180 -0.990) 9.557 8.725 ( -0.148 7.698 -8.673) 11.597 8.884 ( 4.068 11.320 6.674) 13.756 8.990 ( -4.881 8.343 -1.018) 9.720 9.062 ( 2.437 13.449 -7.862) 15.768 9.123 ( -3.184 17.993 -14.468) 23.307 9.288 ( 6.153 21.654 0.390) 22.515 9.320 ( 3.021 20.474 -3.800) 21.042 9.558 ( -1.266 18.633 -1.360) 18.726 9.617 ( -6.859 21.892 -8.298) 24.396 10.455 ( 2.892 3.462 2.299) 5.063 10.545 ( -6.001 1.722 -7.023) 9.397 10.839 ( 2.525 5.503 17.702) 18.709 10.907 ( -4.528 4.193 15.241) 16.443 11.268 ( 2.943 5.960 -11.244) 13.062 11.320 ( -2.265 3.519 -12.497) 13.179 11.506 ( -3.238 2.035 0.078) 3.825 11.535 ( -4.914 -0.206 -3.472) 6.020 12.847 ( 0.115 7.467 1.486) 7.614 12.870 ( -1.983 9.499 -0.325) 9.710 12.983 ( 0.636 13.343 -0.693) 13.376 13.005 ( -1.745 11.237 -2.402) 11.622 13.704 ( 3.797 1.538 5.794) 7.096 13.770 ( -2.825 -0.104 5.258) 5.969 13.810 ( 2.267 3.706 -6.192) 7.564 13.848 ( -1.438 1.712 -3.778) 4.390 15.087 ( 11.268 -18.288 22.950) 31.434 15.294 ( -8.595 -15.769 15.918) 23.998 15.408 ( 4.820 -10.323 -6.916) 13.327 15.461 ( -0.904 1.077 -0.173) 1.417 15.634 ( 4.321 21.283 -1.811) 21.792 15.728 ( -2.232 20.617 -10.797) 23.380 15.996 ( -3.502 4.616 -3.099) 6.571 16.046 ( -6.996 13.515 -9.216) 17.791 17.727 ( 13.699 29.319 33.282) 46.422 18.109 ( -22.930 32.393 24.937) 46.872 18.412 ( 7.421 32.566 -20.842) 39.371 18.764 ( -24.386 30.223 -26.684) 47.119 20.661 ( 9.176 8.426 8.038) 14.826 20.794 ( 3.636 5.468 -2.189) 6.922 20.882 ( -4.562 10.680 2.557) 11.891 21.007 ( -9.374 7.657 -6.929) 13.947 23.391 ( 21.084 -9.212 10.655) 25.356 23.538 ( 8.232 -12.522 -3.753) 15.449 24.153 ( 0.212 -7.016 1.512) 7.180 24.183 ( -3.116 -6.055 -1.586) 6.992 24.816 ( 7.791 -10.744 2.617) 13.527 24.991 ( -8.279 -11.333 -14.833) 20.420 26.320 ( 0.908 -17.842 3.002) 18.116 26.343 ( -1.247 -18.239 0.523) 18.289 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 12.606 -1.939) 12.754 1.752 ( 0.000 5.587 -4.828) 7.384 2.138 ( 0.000 -3.020 1.086) 3.210 2.174 ( 0.000 -0.591 -0.873) 1.054 2.223 ( 0.000 10.722 0.509) 10.734 2.271 ( 0.000 6.013 -2.496) 6.511 2.627 ( 0.000 9.400 4.440) 10.396 2.679 ( 0.000 -0.817 10.555) 10.586 2.696 ( 0.000 9.270 -2.998) 9.743 2.883 ( 0.000 2.937 -10.620) 11.019 3.264 ( 0.000 11.355 2.118) 11.551 3.267 ( 0.000 15.628 1.458) 15.696 3.689 ( 0.000 16.522 7.194) 18.021 3.830 ( 0.000 7.135 13.194) 15.000 3.871 ( 0.000 20.124 -12.382) 23.628 4.088 ( 0.000 10.094 -14.176) 17.403 4.235 ( 0.000 12.651 18.050) 22.042 4.498 ( 0.000 14.130 8.124) 16.299 4.570 ( 0.000 13.720 -14.888) 20.246 4.665 ( 0.000 7.816 -12.597) 14.825 4.962 ( 0.000 10.190 5.306) 11.489 5.046 ( 0.000 8.263 -4.322) 9.325 5.305 ( 0.000 5.285 5.791) 7.840 5.381 ( 0.000 3.474 -3.492) 4.926 5.545 ( 0.000 32.789 10.920) 34.560 5.813 ( 0.000 23.098 -11.828) 25.951 5.850 ( 0.000 4.852 2.591) 5.500 5.859 ( 0.000 -4.511 -3.725) 5.851 6.363 ( 0.000 13.066 6.060) 14.403 6.430 ( 0.000 6.134 -2.519) 6.631 6.748 ( 0.000 -15.841 5.227) 16.681 6.824 ( 0.000 -18.781 -1.813) 18.869 6.941 ( 0.000 8.691 6.555) 10.886 7.041 ( 0.000 10.705 -3.160) 11.162 7.367 ( 0.000 24.522 3.151) 24.723 7.395 ( 0.000 21.721 1.122) 21.750 7.634 ( 0.000 2.026 10.488) 10.682 7.721 ( 0.000 11.208 -1.603) 11.322 7.786 ( 0.000 25.882 -1.818) 25.946 7.811 ( 0.000 8.794 -4.190) 9.741 8.228 ( 0.000 1.605 9.773) 9.904 8.316 ( 0.000 4.730 6.156) 7.763 8.409 ( 0.000 5.696 0.763) 5.747 8.449 ( 0.000 5.384 6.428) 8.385 8.484 ( 0.000 13.166 -6.992) 14.907 8.735 ( 0.000 9.922 -18.599) 21.080 8.857 ( 0.000 15.890 10.203) 18.884 9.023 ( 0.000 11.373 10.291) 15.338 9.040 ( 0.000 8.293 -3.134) 8.865 9.222 ( 0.000 13.050 2.993) 13.389 9.285 ( 0.000 11.881 -13.692) 18.128 9.343 ( 0.000 12.363 -2.287) 12.573 9.452 ( 0.000 17.210 0.945) 17.236 9.635 ( 0.000 16.476 -24.120) 29.210 9.959 ( 0.000 14.637 7.557) 16.473 10.177 ( 0.000 14.239 -16.303) 21.645 10.554 ( 0.000 5.948 9.424) 11.144 10.769 ( 0.000 3.082 -13.711) 14.053 11.035 ( 0.000 14.408 17.843) 22.934 11.191 ( 0.000 2.902 15.363) 15.634 11.326 ( 0.000 12.396 -12.736) 17.773 11.381 ( 0.000 -2.279 -6.053) 6.468 11.608 ( 0.000 -1.336 4.212) 4.418 11.706 ( 0.000 0.086 -5.960) 5.960 12.944 ( 0.000 -2.276 3.551) 4.218 13.046 ( 0.000 -0.655 -6.894) 6.925 13.139 ( 0.000 0.261 0.150) 0.301 13.148 ( 0.000 2.410 -0.903) 2.574 13.746 ( 0.000 11.219 9.068) 14.426 13.846 ( 0.000 5.085 3.735) 6.309 13.887 ( 0.000 1.513 -1.928) 2.451 13.932 ( 0.000 11.746 -8.222) 14.337 14.604 ( 0.000 -2.778 15.958) 16.198 14.874 ( 0.000 -8.338 -12.150) 14.736 15.349 ( 0.000 -5.469 8.297) 9.937 15.442 ( 0.000 -5.918 -1.145) 6.028 16.086 ( 0.000 23.219 9.298) 25.011 16.287 ( 0.000 25.868 -13.236) 29.058 16.310 ( 0.000 17.656 5.602) 18.524 16.524 ( 0.000 16.317 -16.248) 23.027 18.023 ( 0.000 29.235 31.828) 43.217 18.613 ( 0.000 25.005 -31.545) 40.254 19.893 ( 0.000 11.851 1.503) 11.946 19.954 ( 0.000 11.568 -6.409) 13.225 20.542 ( 0.000 9.606 10.812) 14.463 20.717 ( 0.000 8.173 -7.920) 11.381 21.269 ( 0.000 -4.644 8.799) 9.949 21.394 ( 0.000 -2.880 -5.103) 5.860 22.385 ( 0.000 4.378 7.801) 8.946 22.520 ( 0.000 2.516 -5.847) 6.365 23.909 ( 0.000 -8.179 14.455) 16.609 24.115 ( 0.000 -7.545 -7.854) 10.891 24.756 ( 0.000 -0.406 12.156) 12.162 25.020 ( 0.000 -6.518 -15.617) 16.922 25.994 ( 0.000 -16.087 3.118) 16.386 26.029 ( 0.000 -17.708 -0.823) 17.727 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -1.514 11.080 2.608) 11.483 1.790 ( 3.300 7.040 -7.532) 10.825 2.073 ( -6.345 2.048 6.148) 9.070 2.173 ( -1.238 0.714 -4.387) 4.614 2.215 ( -1.106 8.887 0.759) 8.987 2.246 ( -1.772 6.067 -1.819) 6.577 2.509 ( -8.280 1.779 7.093) 11.047 2.660 ( -6.715 0.751 -7.552) 10.134 2.731 ( 3.848 10.387 4.436) 11.932 2.832 ( -0.513 9.572 -6.357) 11.502 3.199 ( -5.679 13.273 2.667) 14.681 3.222 ( -4.382 11.560 0.424) 12.370 3.641 ( -1.303 13.345 8.027) 15.627 3.810 ( -5.042 18.336 -9.846) 21.415 3.987 ( 10.232 9.522 5.815) 15.138 4.138 ( 3.637 10.659 -9.385) 14.660 4.309 ( 6.944 11.537 15.409) 20.464 4.453 ( -3.455 13.014 6.781) 15.076 4.567 ( -3.222 11.631 -5.418) 13.229 4.631 ( -0.751 6.318 -13.631) 15.043 4.995 ( 3.381 10.659 1.721) 11.314 5.041 ( -0.701 8.056 -3.898) 8.977 5.227 ( -6.008 6.389 6.403) 10.859 5.338 ( -3.463 8.804 -5.240) 10.815 5.630 ( 6.046 28.405 9.283) 30.489 5.795 ( -0.845 12.270 -0.081) 12.300 5.869 ( 1.847 0.563 0.587) 2.018 5.910 ( 2.888 18.703 -10.455) 21.621 6.377 ( 1.489 11.739 4.141) 12.536 6.439 ( 1.218 6.099 -2.875) 6.852 6.694 ( -3.408 -10.873 3.137) 11.819 6.739 ( -6.276 -13.907 -1.579) 15.339 7.013 ( 5.492 3.932 8.737) 11.044 7.120 ( 5.480 9.486 -1.947) 11.126 7.322 ( -3.897 21.158 5.509) 22.208 7.383 ( -1.431 22.162 -0.815) 22.223 7.598 ( -2.711 1.463 7.594) 8.195 7.665 ( -4.418 11.845 -0.451) 12.651 7.754 ( -1.433 19.345 -1.256) 19.439 7.833 ( -0.072 9.386 -6.186) 11.241 8.253 ( 2.456 7.504 8.452) 11.566 8.360 ( 1.437 5.665 -1.803) 6.116 8.399 ( 2.971 4.036 9.928) 11.121 8.485 ( 0.033 9.201 -4.388) 10.193 8.510 ( 3.698 6.075 6.564) 9.678 8.787 ( 4.395 9.386 -17.087) 19.984 8.865 ( -0.262 14.612 7.851) 16.590 8.938 ( -4.234 13.737 5.244) 15.302 9.041 ( -0.168 5.992 3.855) 7.126 9.169 ( -5.888 9.799 -9.289) 14.730 9.287 ( 3.223 13.118 -2.757) 13.786 9.459 ( 3.109 13.958 -8.475) 16.623 9.525 ( 9.097 18.829 1.405) 20.958 9.627 ( 0.708 16.404 -15.870) 22.835 9.942 ( -1.620 15.511 4.370) 16.196 10.127 ( -4.934 14.851 -14.386) 21.257 10.535 ( -1.921 5.288 6.352) 8.485 10.695 ( -6.936 1.761 -10.311) 12.551 11.030 ( -0.194 14.022 17.147) 22.151 11.145 ( -3.602 7.449 12.213) 14.752 11.354 ( 1.346 4.858 -6.713) 8.395 11.372 ( 0.356 3.189 -8.823) 9.389 11.585 ( -2.364 -0.910 2.061) 3.266 11.665 ( -3.952 1.121 -5.957) 7.236 12.929 ( -1.063 -0.826 2.998) 3.286 13.021 ( -2.485 0.007 -6.317) 6.788 13.126 ( -0.867 0.244 0.032) 0.901 13.141 ( -0.738 1.382 -1.463) 2.144 13.762 ( 1.445 9.877 8.391) 13.040 13.838 ( -0.676 5.304 3.962) 6.655 13.893 ( 0.568 2.752 -1.891) 3.387 13.928 ( -0.398 10.387 -6.788) 12.415 14.673 ( 6.790 -3.310 16.024) 17.715 14.937 ( 5.969 -8.429 -11.557) 15.500 15.283 ( -6.324 -5.815 10.041) 13.215 15.409 ( -3.529 -6.893 -2.902) 8.270 16.095 ( 0.929 23.569 8.958) 25.231 16.251 ( -3.156 22.052 -0.366) 22.280 16.332 ( 1.929 22.222 -7.155) 23.425 16.500 ( -2.316 17.481 -16.062) 23.853 18.093 ( 7.379 29.825 31.978) 44.346 18.676 ( 6.210 25.141 -30.304) 39.862 19.455 ( -35.360 19.053 14.009) 42.539 19.689 ( -20.486 15.168 -10.476) 27.559 20.678 ( 8.322 9.547 6.017) 14.021 20.805 ( 7.189 7.969 -6.815) 12.714 21.179 ( -6.065 3.585 7.539) 10.319 21.296 ( -7.145 2.818 -5.102) 9.221 22.744 ( 26.838 -3.014 4.554) 27.388 22.845 ( 27.319 -8.227 -5.439) 29.044 23.922 ( 1.232 -9.853 11.859) 15.467 24.089 ( -2.697 -8.498 -6.394) 10.972 24.716 ( -3.430 -0.580 11.348) 11.869 24.960 ( -5.964 -6.940 -14.446) 17.100 25.986 ( -0.726 -16.293 2.788) 16.546 26.015 ( -1.300 -17.654 -0.538) 17.710 ======================= Grid point 147 (54/63) ======================= q-point: ( 0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.780 10.486 9.659) 15.037 1.855 ( -3.636 8.945 2.247) 9.914 1.933 ( 0.030 4.254 0.293) 4.264 2.074 ( -8.305 7.154 -6.309) 12.647 2.196 ( -0.163 7.385 0.091) 7.388 2.215 ( -1.513 4.749 -1.414) 5.181 2.422 ( 0.006 0.160 -1.529) 1.537 2.490 ( -7.146 -0.026 -8.121) 10.817 2.827 ( 5.446 12.126 2.701) 13.564 2.876 ( 1.938 12.050 -2.005) 12.368 3.088 ( -3.821 10.162 1.326) 10.938 3.118 ( -5.325 9.842 -1.425) 11.280 3.651 ( 2.057 13.829 3.388) 14.386 3.714 ( -4.270 16.088 -3.174) 16.945 4.146 ( 5.435 10.928 0.654) 12.223 4.188 ( 0.893 11.189 -3.736) 11.830 4.387 ( -0.918 11.379 6.244) 13.012 4.401 ( -1.963 12.461 5.624) 13.811 4.541 ( 4.013 5.118 1.229) 6.619 4.615 ( -2.157 3.573 -4.756) 6.327 5.035 ( 1.256 8.469 1.192) 8.644 5.082 ( 1.765 13.998 4.987) 14.964 5.128 ( -0.356 4.764 -4.123) 6.311 5.242 ( -6.468 9.159 -7.527) 13.505 5.733 ( 4.211 24.537 7.744) 26.072 5.784 ( -0.995 16.419 5.765) 17.430 5.903 ( 1.597 9.502 -3.475) 10.243 5.930 ( -0.767 21.664 -8.061) 23.128 6.423 ( 2.848 8.813 -1.054) 9.322 6.459 ( -0.167 7.874 -4.355) 8.999 6.645 ( -1.664 -10.153 1.727) 10.433 6.649 ( -2.070 -8.175 1.687) 8.600 7.113 ( 4.728 4.922 9.747) 11.899 7.187 ( -1.208 8.345 6.019) 10.359 7.270 ( 1.357 18.918 0.401) 18.971 7.335 ( -3.444 20.170 -2.927) 20.670 7.558 ( -0.215 4.855 6.890) 8.432 7.595 ( -3.041 6.752 4.081) 8.455 7.752 ( 1.559 13.660 -5.693) 14.881 7.801 ( -2.751 10.069 -8.168) 13.254 8.316 ( 3.574 11.555 5.682) 13.363 8.364 ( -0.745 9.450 1.635) 9.619 8.456 ( 0.944 2.197 2.546) 3.493 8.469 ( -1.042 4.629 0.446) 4.765 8.613 ( 6.953 6.692 11.193) 14.779 8.752 ( -6.860 8.406 9.057) 14.133 8.901 ( 5.365 12.989 -12.607) 18.880 8.972 ( 2.784 15.104 -7.552) 17.115 9.012 ( -1.832 8.080 8.124) 11.604 9.072 ( -4.101 3.663 -6.758) 8.712 9.345 ( 3.525 13.474 -7.253) 15.702 9.430 ( -4.466 12.592 -12.539) 18.323 9.703 ( 6.645 19.705 1.216) 20.831 9.722 ( 6.752 19.783 0.460) 20.908 9.905 ( -0.922 16.626 -3.748) 17.068 9.996 ( -7.873 16.688 -10.454) 21.208 10.500 ( -0.556 2.729 -0.023) 2.785 10.552 ( -6.049 0.764 -5.061) 7.924 11.039 ( 1.240 12.862 16.033) 20.592 11.079 ( -2.827 10.998 13.923) 17.967 11.374 ( 1.640 1.397 -7.174) 7.491 11.395 ( 0.405 5.038 -11.992) 13.013 11.538 ( -1.114 1.535 0.242) 1.911 11.576 ( -4.293 2.949 -4.292) 6.749 12.923 ( 0.777 0.930 0.565) 1.337 12.962 ( -2.999 1.151 -3.244) 4.566 13.116 ( -0.027 -0.161 -1.132) 1.144 13.124 ( -0.772 0.343 -1.764) 1.956 13.794 ( 1.633 7.460 6.803) 10.227 13.821 ( -1.118 5.918 5.102) 7.893 13.905 ( 0.676 5.205 -2.504) 5.815 13.918 ( -0.582 7.813 -4.257) 8.916 14.849 ( 10.564 -4.530 15.015) 18.909 15.026 ( -3.096 -6.723 2.561) 7.832 15.175 ( 1.358 -7.722 1.035) 7.909 15.302 ( -7.223 -8.462 -6.058) 12.668 16.125 ( 2.177 23.962 7.731) 25.273 16.181 ( -3.519 23.147 5.030) 23.948 16.381 ( 2.977 22.062 -12.271) 25.420 16.443 ( -3.270 19.985 -14.921) 25.154 18.320 ( 16.253 30.641 31.322) 46.734 18.712 ( -18.033 28.581 13.621) 36.436 18.965 ( 3.465 23.561 -13.943) 27.596 19.265 ( -20.661 20.760 -21.738) 36.474 20.830 ( 7.234 8.438 6.392) 12.821 20.914 ( 1.255 6.449 -0.365) 6.580 21.094 ( -0.608 9.820 0.777) 9.869 21.169 ( -5.893 7.952 -5.195) 11.178 23.206 ( 17.264 -8.954 4.665) 20.000 23.281 ( 11.517 -12.667 -2.942) 17.372 23.952 ( 1.972 -12.882 3.746) 13.560 24.015 ( -4.362 -11.094 -2.850) 12.257 24.683 ( 1.984 -2.766 4.629) 5.746 24.805 ( -8.887 -6.646 -8.269) 13.839 25.976 ( -0.049 -16.772 1.726) 16.861 25.988 ( -1.227 -17.320 0.372) 17.368 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 0.000 2.880 0.505) 2.924 1.898 ( 0.000 4.310 -5.497) 6.985 2.089 ( 0.000 -1.498 1.479) 2.105 2.126 ( 0.000 -3.670 -1.903) 4.134 2.351 ( 0.000 2.786 0.925) 2.936 2.370 ( 0.000 4.262 -1.528) 4.528 2.647 ( 0.000 -2.047 4.032) 4.522 2.681 ( 0.000 -2.814 0.707) 2.901 2.872 ( 0.000 9.667 4.866) 10.823 3.010 ( 0.000 10.164 -9.975) 14.241 3.531 ( 0.000 14.375 2.060) 14.522 3.568 ( 0.000 14.699 -2.302) 14.878 4.020 ( 0.000 12.000 14.704) 18.979 4.060 ( 0.000 20.464 9.000) 22.356 4.252 ( 0.000 16.798 -7.419) 18.363 4.313 ( 0.000 12.219 -14.450) 18.923 4.508 ( 0.000 15.773 7.815) 17.602 4.745 ( 0.000 6.180 -16.073) 17.221 4.796 ( 0.000 14.117 6.790) 15.665 4.906 ( 0.000 13.333 -4.169) 13.969 5.165 ( 0.000 7.968 -0.049) 7.968 5.174 ( 0.000 2.275 -2.294) 3.231 5.406 ( 0.000 5.755 3.471) 6.720 5.431 ( 0.000 3.486 -0.078) 3.487 5.614 ( 0.000 -12.005 0.671) 12.023 5.630 ( 0.000 -12.425 -1.485) 12.513 6.029 ( 0.000 5.719 4.444) 7.243 6.131 ( 0.000 5.077 -6.428) 8.191 6.460 ( 0.000 -3.929 3.305) 5.134 6.490 ( 0.000 -11.115 0.282) 11.119 6.665 ( 0.000 13.176 6.569) 14.722 6.724 ( 0.000 13.170 -1.158) 13.221 7.141 ( 0.000 8.407 5.834) 10.233 7.273 ( 0.000 10.961 -6.906) 12.955 7.659 ( 0.000 10.498 14.307) 17.745 7.725 ( 0.000 5.779 2.927) 6.478 7.762 ( 0.000 8.697 0.819) 8.736 7.783 ( 0.000 9.636 -2.180) 9.879 7.978 ( 0.000 3.239 1.799) 3.705 8.051 ( 0.000 2.256 -5.439) 5.889 8.352 ( 0.000 9.797 15.797) 18.588 8.455 ( 0.000 6.100 11.525) 13.040 8.596 ( 0.000 10.523 8.571) 13.571 8.689 ( 0.000 16.326 -1.377) 16.384 8.806 ( 0.000 18.286 -7.621) 19.810 8.982 ( 0.000 14.765 -22.060) 26.545 9.055 ( 0.000 1.872 13.725) 13.852 9.163 ( 0.000 13.783 2.283) 13.971 9.382 ( 0.000 8.212 -9.356) 12.449 9.394 ( 0.000 17.221 -5.936) 18.215 9.564 ( 0.000 10.715 -4.462) 11.607 9.603 ( 0.000 16.316 -9.058) 18.661 9.792 ( 0.000 16.425 3.858) 16.872 9.929 ( 0.000 13.658 -13.813) 19.426 10.206 ( 0.000 10.912 5.304) 12.133 10.386 ( 0.000 7.331 -13.964) 15.771 10.675 ( 0.000 6.299 7.643) 9.904 10.839 ( 0.000 4.281 -9.873) 10.761 11.215 ( 0.000 2.901 10.610) 10.999 11.310 ( 0.000 7.295 13.488) 15.335 11.358 ( 0.000 -0.097 -4.788) 4.789 11.497 ( 0.000 0.746 -7.085) 7.124 11.591 ( 0.000 0.572 5.622) 5.651 11.693 ( 0.000 1.012 -4.759) 4.865 12.853 ( 0.000 -6.106 3.056) 6.828 12.943 ( 0.000 -7.864 -5.927) 9.847 13.107 ( 0.000 -3.450 -2.006) 3.991 13.107 ( 0.000 -5.010 -1.543) 5.242 13.951 ( 0.000 10.766 2.694) 11.098 13.974 ( 0.000 8.239 1.560) 8.386 14.083 ( 0.000 16.011 6.267) 17.193 14.180 ( 0.000 13.037 -3.051) 13.389 14.713 ( 0.000 12.636 9.402) 15.750 14.886 ( 0.000 8.370 -8.064) 11.623 15.337 ( 0.000 4.333 3.429) 5.526 15.383 ( 0.000 1.192 -0.843) 1.460 16.481 ( 0.000 16.845 8.657) 18.940 16.656 ( 0.000 15.125 5.163) 15.982 16.657 ( 0.000 13.129 -10.376) 16.735 16.804 ( 0.000 10.894 -9.846) 14.684 18.621 ( 0.000 29.886 22.798) 37.588 19.063 ( 0.000 20.453 -24.495) 31.912 20.034 ( 0.000 2.923 1.168) 3.148 20.070 ( 0.000 0.933 -3.391) 3.517 20.709 ( 0.000 7.085 8.761) 11.267 20.851 ( 0.000 5.151 -6.389) 8.207 21.199 ( 0.000 -1.971 8.605) 8.828 21.334 ( 0.000 -2.940 -5.931) 6.619 22.503 ( 0.000 6.880 5.583) 8.860 22.618 ( 0.000 6.349 -6.600) 9.158 23.742 ( 0.000 -8.661 13.836) 16.324 23.950 ( 0.000 -9.223 -8.512) 12.551 24.766 ( 0.000 1.519 6.625) 6.797 24.910 ( 0.000 -4.256 -8.591) 9.588 25.688 ( 0.000 -14.894 0.632) 14.908 25.689 ( 0.000 -16.674 0.468) 16.681 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.559 3.293 1.863) 3.824 1.910 ( 1.461 3.409 -6.085) 7.126 2.043 ( -4.480 -2.861 4.087) 6.705 2.117 ( -1.098 -4.486 -3.732) 5.938 2.341 ( -0.901 3.338 0.979) 3.593 2.360 ( -0.943 4.278 -1.298) 4.569 2.565 ( -5.754 3.006 3.637) 7.441 2.647 ( -4.737 -1.790 -3.972) 6.436 2.920 ( 4.550 9.377 4.594) 11.391 3.017 ( 1.714 10.568 -6.171) 12.357 3.477 ( -6.018 14.992 1.497) 16.224 3.494 ( -6.569 14.450 0.114) 15.873 3.967 ( -0.874 18.818 10.998) 21.814 4.156 ( 0.743 15.131 -3.137) 15.470 4.211 ( 1.337 14.324 -1.469) 14.461 4.342 ( 1.753 9.920 -9.795) 14.050 4.556 ( 4.982 13.308 10.554) 17.701 4.699 ( -6.628 10.297 6.005) 13.638 4.777 ( -0.138 8.276 -11.163) 13.897 4.802 ( -7.358 10.795 -5.932) 14.348 5.139 ( -0.554 1.738 -1.399) 2.299 5.152 ( -2.831 1.710 -2.649) 4.237 5.380 ( -2.551 8.928 7.999) 12.256 5.489 ( -0.257 6.784 -3.817) 7.788 5.671 ( 7.157 -8.720 1.906) 11.441 5.724 ( 9.697 -7.156 -4.084) 12.725 6.016 ( -1.486 3.567 4.660) 6.054 6.112 ( -1.859 -1.403 -5.100) 5.606 6.503 ( 2.858 -4.240 2.652) 5.760 6.538 ( 5.319 2.109 -1.900) 6.029 6.719 ( 4.588 15.659 5.393) 17.185 6.754 ( 3.313 14.511 1.201) 14.933 7.159 ( 1.705 7.055 8.287) 11.016 7.321 ( 4.510 9.048 -7.594) 12.644 7.569 ( -8.843 8.996 13.371) 18.382 7.676 ( -4.228 2.520 0.986) 5.020 7.723 ( -3.594 13.261 -0.060) 13.739 7.761 ( -1.648 6.501 -1.170) 6.808 7.930 ( -3.316 3.464 3.834) 6.139 8.036 ( -2.420 3.925 -7.061) 8.433 8.393 ( 3.841 7.004 14.892) 16.899 8.495 ( 2.897 5.404 12.355) 13.793 8.582 ( -0.500 7.903 6.072) 9.978 8.693 ( -0.154 14.336 -1.134) 14.381 8.792 ( -0.651 17.851 -4.599) 18.445 8.996 ( -1.634 8.714 -2.016) 9.092 9.016 ( -0.560 7.227 -3.426) 8.017 9.197 ( 1.680 12.281 0.672) 12.413 9.292 ( -2.248 15.434 -4.335) 16.188 9.404 ( -3.720 15.408 -17.832) 23.858 9.545 ( 1.703 12.244 0.803) 12.388 9.685 ( 0.122 8.973 -12.120) 15.080 9.882 ( 9.425 16.728 2.813) 19.406 9.939 ( 3.782 16.182 -4.062) 17.107 10.221 ( 0.952 13.013 0.658) 13.064 10.362 ( -2.208 9.406 -12.366) 15.693 10.653 ( -2.554 6.537 4.564) 8.372 10.766 ( -6.535 5.711 -6.695) 10.961 11.225 ( 0.762 3.955 10.857) 11.580 11.301 ( -0.695 7.512 11.374) 13.648 11.356 ( -0.053 -0.080 -2.992) 2.993 11.473 ( -1.909 -0.170 -6.138) 6.431 11.576 ( -1.503 -0.096 2.643) 3.042 11.662 ( -2.924 0.473 -5.051) 5.856 12.864 ( 1.134 -5.074 2.305) 5.687 12.943 ( -0.029 -6.833 -5.577) 8.820 13.082 ( -2.229 -3.852 -1.443) 4.678 13.089 ( -1.705 -5.345 -1.758) 5.880 13.960 ( 0.777 10.983 2.710) 11.339 13.980 ( 0.456 9.128 1.700) 9.296 14.082 ( 0.034 14.764 5.276) 15.678 14.162 ( -1.692 12.963 -2.362) 13.285 14.767 ( 5.429 11.751 9.752) 16.207 14.941 ( 5.292 7.618 -7.901) 12.185 15.273 ( -6.098 4.736 5.325) 9.379 15.349 ( -3.658 1.603 -2.210) 4.565 16.495 ( 1.325 16.939 8.242) 18.884 16.626 ( -2.093 15.568 2.494) 15.905 16.681 ( 1.515 12.983 -7.366) 15.004 16.790 ( -1.312 11.177 -9.927) 15.006 18.689 ( 6.987 29.141 22.600) 37.533 19.123 ( 5.960 19.975 -23.662) 31.534 19.726 ( -24.587 9.118 9.514) 27.896 19.894 ( -14.446 6.015 -7.794) 17.482 20.844 ( 8.360 7.015 4.590) 11.839 20.939 ( 7.006 5.391 -5.049) 10.180 21.216 ( 1.131 0.403 6.654) 6.762 21.322 ( -1.136 -0.162 -4.730) 4.868 22.709 ( 18.517 -0.358 2.742) 18.722 22.777 ( 14.431 0.389 -4.237) 15.045 23.722 ( -2.007 -10.245 11.835) 15.782 23.900 ( -5.154 -10.619 -7.312) 13.885 24.730 ( -3.103 2.080 5.958) 7.032 24.855 ( -5.243 -3.405 -7.202) 9.537 25.677 ( -0.809 -15.443 0.746) 15.482 25.683 ( -0.669 -15.578 0.114) 15.593 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.276 2.479 5.534) 6.477 1.932 ( -6.127 -1.236 7.220) 9.549 1.969 ( 4.690 -0.085 -7.561) 8.898 2.068 ( -4.302 -4.637 -6.902) 9.361 2.325 ( -0.381 4.336 1.357) 4.560 2.335 ( -1.310 4.519 0.821) 4.776 2.491 ( -0.802 6.015 -1.803) 6.330 2.536 ( -5.003 3.698 -5.737) 8.463 3.031 ( 6.117 9.897 3.400) 12.122 3.077 ( 2.781 10.321 -1.426) 10.784 3.330 ( -5.925 13.980 1.907) 15.303 3.355 ( -6.840 13.814 -0.461) 15.421 3.994 ( 3.185 19.883 4.223) 20.574 4.074 ( -4.750 19.463 -3.767) 20.385 4.317 ( 4.806 7.367 0.866) 8.838 4.364 ( -0.099 7.113 -4.138) 8.230 4.594 ( -0.103 9.097 5.329) 10.543 4.638 ( -2.990 10.599 2.946) 11.400 4.692 ( 0.185 8.853 -1.392) 8.964 4.735 ( -3.617 8.124 -4.890) 10.148 5.121 ( 1.743 -0.224 0.902) 1.975 5.170 ( 0.123 -1.580 -3.284) 3.647 5.321 ( -0.283 7.517 3.742) 8.402 5.407 ( -6.294 4.382 -4.628) 8.958 5.836 ( 7.903 0.188 4.051) 8.883 5.918 ( 5.329 2.712 -2.772) 6.591 5.976 ( -0.195 -0.953 1.311) 1.633 6.063 ( -3.585 -1.721 -5.823) 7.052 6.578 ( 3.779 3.187 2.977) 5.771 6.607 ( 1.108 6.185 -0.320) 6.292 6.801 ( 3.232 18.660 2.690) 19.128 6.824 ( 1.666 18.695 -0.115) 18.770 7.225 ( 5.717 4.797 13.262) 15.217 7.373 ( -8.730 8.834 13.581) 18.404 7.434 ( 5.764 3.674 -8.771) 11.120 7.562 ( -6.647 4.628 -6.942) 10.668 7.677 ( -0.430 7.394 4.509) 8.671 7.712 ( -3.303 5.853 0.931) 6.785 7.903 ( 1.175 4.010 1.339) 4.388 7.964 ( -4.260 4.813 -4.611) 7.911 8.470 ( 3.311 4.388 12.710) 13.847 8.510 ( -0.947 4.386 12.866) 13.626 8.616 ( 3.067 5.763 -0.058) 6.528 8.667 ( -2.163 10.160 -2.669) 10.725 8.812 ( 2.784 14.849 5.584) 16.107 8.896 ( -5.572 8.265 12.042) 15.632 9.077 ( 4.451 9.043 -14.985) 18.059 9.167 ( -4.105 7.578 -7.899) 11.691 9.311 ( 2.565 18.796 -5.057) 19.632 9.351 ( -1.737 19.750 -11.624) 22.983 9.561 ( 0.905 9.095 -2.910) 9.592 9.616 ( -4.629 7.477 -7.724) 11.705 10.066 ( 8.298 17.156 4.087) 19.491 10.098 ( 7.961 18.296 0.960) 19.976 10.226 ( -0.009 15.859 -5.185) 16.685 10.299 ( -4.720 14.284 -9.042) 17.552 10.589 ( -2.137 5.960 -1.099) 6.426 10.633 ( -5.955 7.454 -4.578) 10.582 11.244 ( 1.316 6.175 12.054) 13.607 11.276 ( -1.768 7.472 11.924) 14.182 11.378 ( 2.303 -0.638 -3.372) 4.133 11.430 ( -2.638 -1.005 -4.583) 5.383 11.556 ( 0.275 -1.179 -2.241) 2.547 11.595 ( -3.359 -0.600 -5.015) 6.066 12.897 ( 2.160 -3.180 -0.080) 3.845 12.935 ( -1.192 -3.744 -3.834) 5.490 13.042 ( -1.034 -5.838 -0.902) 5.997 13.052 ( -1.658 -6.276 -1.769) 6.728 13.976 ( 0.776 11.293 2.746) 11.648 13.985 ( -0.054 10.918 2.385) 11.175 14.091 ( 1.069 12.673 2.454) 12.952 14.123 ( -2.030 12.504 -0.458) 12.676 14.911 ( 8.817 9.805 9.472) 16.235 15.048 ( 1.063 7.774 -2.115) 8.127 15.143 ( -2.594 4.334 3.566) 6.183 15.244 ( -6.720 2.652 -4.310) 8.412 16.530 ( 2.231 16.997 7.057) 18.539 16.578 ( -2.606 16.584 5.196) 17.574 16.717 ( 2.033 12.383 -9.166) 15.540 16.757 ( -2.007 11.789 -9.854) 15.495 18.893 ( 14.007 26.439 21.448) 36.814 19.212 ( -12.284 21.678 6.810) 25.831 19.344 ( 2.433 15.221 -10.026) 18.388 19.586 ( -15.633 12.102 -16.295) 25.620 20.981 ( 5.614 6.726 4.454) 9.828 21.034 ( 1.225 5.515 -0.089) 5.650 21.238 ( 1.831 4.470 0.693) 4.880 21.288 ( -2.468 3.697 -3.623) 5.734 23.059 ( 12.524 -5.730 0.283) 13.775 23.071 ( 11.924 -8.218 -0.763) 14.502 23.678 ( -0.994 -14.290 5.049) 15.188 23.760 ( -8.131 -14.143 -3.800) 16.750 24.685 ( -0.391 2.411 3.039) 3.899 24.739 ( -5.500 -0.356 -2.624) 6.104 25.665 ( -0.262 -15.038 0.402) 15.046 25.669 ( -0.615 -15.083 0.014) 15.095 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 -0.454 1.989) 2.040 1.903 ( 0.000 -2.005 -2.342) 3.083 2.047 ( 0.000 -3.791 0.239) 3.799 2.055 ( 0.000 -2.557 -0.605) 2.628 2.406 ( 0.000 2.663 -0.304) 2.680 2.412 ( 0.000 0.608 -1.061) 1.223 2.584 ( 0.000 -5.795 0.257) 5.801 2.592 ( 0.000 -3.340 -0.807) 3.436 3.125 ( 0.000 15.816 6.132) 16.964 3.263 ( 0.000 14.601 -9.011) 17.158 3.792 ( 0.000 11.598 1.772) 11.732 3.826 ( 0.000 10.991 -2.081) 11.186 4.260 ( 0.000 11.099 13.457) 17.444 4.421 ( 0.000 13.734 0.678) 13.750 4.509 ( 0.000 10.105 1.438) 10.207 4.548 ( 0.000 11.292 -7.444) 13.525 4.792 ( 0.000 7.840 -3.633) 8.641 4.840 ( 0.000 1.350 -9.030) 9.130 5.012 ( 0.000 8.309 4.438) 9.420 5.026 ( 0.000 -8.975 4.760) 10.160 5.112 ( 0.000 3.855 -5.525) 6.736 5.128 ( 0.000 -7.460 -5.561) 9.305 5.509 ( 0.000 4.156 0.150) 4.159 5.515 ( 0.000 4.065 -0.823) 4.148 5.569 ( 0.000 5.578 3.236) 6.449 5.602 ( 0.000 8.554 1.380) 8.664 5.895 ( 0.000 -11.367 5.380) 12.576 6.034 ( 0.000 -9.616 -8.632) 12.922 6.451 ( 0.000 4.089 4.818) 6.319 6.521 ( 0.000 5.003 -2.826) 5.745 6.870 ( 0.000 7.552 7.678) 10.769 6.932 ( 0.000 7.145 -1.036) 7.219 7.215 ( 0.000 0.953 4.366) 4.469 7.373 ( 0.000 -0.671 -11.877) 11.896 7.741 ( 0.000 1.007 5.328) 5.422 7.836 ( 0.000 3.126 -2.211) 3.829 7.976 ( 0.000 11.637 9.684) 15.140 8.021 ( 0.000 8.826 4.246) 9.794 8.030 ( 0.000 5.679 4.966) 7.543 8.066 ( 0.000 0.686 -0.196) 0.714 8.498 ( 0.000 5.595 14.429) 15.476 8.553 ( 0.000 4.312 10.332) 11.196 8.753 ( 0.000 4.855 12.465) 13.377 8.858 ( 0.000 0.103 7.779) 7.780 9.153 ( 0.000 15.920 -7.758) 17.710 9.188 ( 0.000 11.028 -0.237) 11.030 9.256 ( 0.000 11.223 -19.825) 22.781 9.352 ( 0.000 6.533 -11.328) 13.077 9.595 ( 0.000 11.644 -5.406) 12.838 9.653 ( 0.000 9.004 -10.863) 14.110 9.799 ( 0.000 13.163 2.608) 13.419 9.886 ( 0.000 12.343 -6.490) 13.945 10.075 ( 0.000 12.280 4.839) 13.199 10.174 ( 0.000 11.508 -5.882) 12.924 10.397 ( 0.000 8.660 -0.798) 8.697 10.472 ( 0.000 1.934 -9.319) 9.517 10.778 ( 0.000 3.288 5.766) 6.638 10.905 ( 0.000 0.966 -8.005) 8.063 11.225 ( 0.000 -6.465 7.213) 9.686 11.305 ( 0.000 -1.298 6.170) 6.305 11.320 ( 0.000 -11.569 -3.369) 12.049 11.378 ( 0.000 -2.148 -1.915) 2.878 11.690 ( 0.000 7.652 6.282) 9.900 11.771 ( 0.000 4.931 -1.653) 5.201 12.732 ( 0.000 -5.671 1.646) 5.905 12.787 ( 0.000 -7.244 -3.760) 8.161 12.994 ( 0.000 -5.667 -0.461) 5.686 13.013 ( 0.000 -5.445 -2.844) 6.143 14.184 ( 0.000 11.841 0.670) 11.860 14.189 ( 0.000 11.873 1.025) 11.918 14.391 ( 0.000 14.366 3.703) 14.835 14.434 ( 0.000 12.203 -0.371) 12.208 15.020 ( 0.000 16.324 5.849) 17.340 15.120 ( 0.000 12.899 -4.136) 13.546 15.478 ( 0.000 7.274 1.587) 7.445 15.481 ( 0.000 8.742 0.945) 8.793 16.755 ( 0.000 11.027 5.792) 12.455 16.850 ( 0.000 6.988 -4.529) 8.327 16.879 ( 0.000 7.886 1.911) 8.114 16.952 ( 0.000 4.772 -5.168) 7.034 19.139 ( 0.000 21.956 12.147) 25.092 19.397 ( 0.000 13.042 -15.387) 20.170 20.026 ( 0.000 -3.097 -0.128) 3.099 20.028 ( 0.000 -4.152 -0.683) 4.208 20.819 ( 0.000 4.222 6.012) 7.346 20.916 ( 0.000 1.537 -4.303) 4.569 21.191 ( 0.000 0.776 5.411) 5.467 21.285 ( 0.000 -2.087 -4.526) 4.984 22.636 ( 0.000 6.366 4.081) 7.562 22.735 ( 0.000 4.960 -6.764) 8.388 23.584 ( 0.000 -6.761 11.636) 13.458 23.759 ( 0.000 -9.915 -7.240) 12.277 24.821 ( 0.000 4.217 1.959) 4.650 24.866 ( 0.000 0.051 -2.727) 2.727 25.381 ( 0.000 -14.401 1.839) 14.518 25.411 ( 0.000 -13.256 -1.291) 13.318 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -1.250 -1.192 2.585) 3.109 1.901 ( -0.136 -2.908 -2.972) 4.161 1.981 ( -5.114 -3.225 1.981) 6.362 2.030 ( -3.040 -4.162 -3.089) 6.009 2.392 ( -1.147 1.993 -0.075) 2.301 2.400 ( -1.097 0.845 -0.930) 1.668 2.569 ( -1.152 -3.295 0.204) 3.496 2.588 ( -0.774 -3.234 -1.709) 3.738 3.168 ( 4.475 15.958 5.353) 17.417 3.282 ( 2.333 15.506 -7.175) 17.244 3.748 ( -4.612 11.390 1.225) 12.349 3.757 ( -6.717 11.782 -0.031) 13.562 4.291 ( 2.610 12.135 11.630) 17.010 4.436 ( 1.605 14.699 0.446) 14.793 4.498 ( -1.044 12.262 -4.734) 13.186 4.517 ( -3.183 8.146 -6.342) 10.803 4.773 ( -5.549 1.176 4.709) 7.372 4.798 ( -1.285 1.856 3.289) 3.989 4.898 ( -9.274 -0.028 -4.696) 10.395 4.939 ( 2.799 4.756 -9.891) 11.327 5.095 ( -2.564 -0.695 0.920) 2.811 5.122 ( -5.674 -0.883 -2.053) 6.098 5.438 ( -6.634 -3.655 3.695) 8.427 5.472 ( -4.743 -4.106 0.669) 6.309 5.734 ( 11.526 9.523 0.032) 14.951 5.762 ( 16.734 8.431 -2.488) 18.902 5.970 ( 5.753 -1.740 2.790) 6.626 6.039 ( 1.068 -2.969 -4.505) 5.500 6.496 ( 4.712 2.512 5.794) 7.879 6.597 ( 6.411 2.354 -5.301) 8.645 6.966 ( 7.892 7.786 7.901) 13.614 6.998 ( 6.466 9.852 2.125) 11.975 7.210 ( -0.694 -0.645 3.555) 3.679 7.374 ( 0.313 -2.731 -12.241) 12.546 7.686 ( -4.851 0.812 3.870) 6.258 7.727 ( -8.900 4.043 1.403) 9.875 7.924 ( -6.880 8.809 7.842) 13.655 7.967 ( -6.724 4.846 1.141) 8.366 8.002 ( 0.926 8.466 6.319) 10.604 8.088 ( 0.572 4.042 -2.978) 5.053 8.496 ( 0.336 4.003 15.560) 16.071 8.577 ( 1.410 2.992 8.398) 9.026 8.678 ( -5.181 2.646 13.494) 14.695 8.825 ( -3.764 -0.991 6.312) 7.415 9.133 ( -1.912 15.382 -6.762) 16.911 9.157 ( -1.986 11.274 0.683) 11.468 9.247 ( -0.396 10.244 -16.659) 19.561 9.354 ( -0.961 5.551 -12.701) 13.895 9.600 ( 1.350 13.601 -2.031) 13.818 9.692 ( 2.064 11.484 -12.970) 17.446 9.768 ( -2.072 10.958 1.728) 11.285 9.853 ( -3.211 9.928 -7.005) 12.568 10.176 ( 9.064 13.201 5.140) 16.818 10.252 ( 7.999 14.551 -2.443) 16.783 10.439 ( 3.243 8.893 -3.631) 10.138 10.489 ( 1.551 3.345 -9.025) 9.749 10.772 ( -1.132 4.757 4.372) 6.559 10.870 ( -3.253 2.950 -6.096) 7.513 11.234 ( 0.765 -6.017 6.618) 8.977 11.275 ( -1.828 -7.684 2.588) 8.312 11.357 ( 0.868 -0.782 -1.517) 1.915 11.362 ( 0.735 -6.467 -0.416) 6.522 11.639 ( -4.871 6.383 5.505) 9.735 11.713 ( -5.500 3.491 -1.462) 6.677 12.755 ( 2.335 -5.399 0.945) 5.958 12.799 ( 1.271 -6.927 -3.243) 7.753 12.971 ( -2.256 -5.860 -0.586) 6.306 12.986 ( -2.661 -5.444 -2.597) 6.593 14.195 ( 1.218 12.269 1.493) 12.419 14.209 ( 1.766 12.192 0.200) 12.321 14.373 ( -1.668 13.759 3.681) 14.341 14.416 ( -1.774 12.073 -0.578) 12.216 15.059 ( 3.943 15.731 6.091) 17.324 15.159 ( 3.852 12.215 -3.942) 13.401 15.429 ( -4.664 9.457 2.745) 10.896 15.454 ( -2.961 7.766 0.273) 8.316 16.767 ( 1.176 10.834 5.333) 12.133 16.853 ( -0.187 7.804 -2.342) 8.150 16.875 ( 0.076 7.295 -0.066) 7.296 16.944 ( -0.801 5.012 -5.164) 7.241 19.188 ( 4.968 20.922 12.089) 24.668 19.443 ( 4.527 12.170 -14.992) 19.833 19.836 ( -14.531 2.637 5.402) 15.725 19.940 ( -8.802 -0.859 -5.240) 10.280 20.950 ( 9.212 3.826 3.281) 10.501 21.012 ( 8.007 2.061 -3.197) 8.865 21.215 ( 2.321 0.033 5.116) 5.618 21.299 ( 1.220 -1.852 -3.866) 4.457 22.735 ( 9.767 2.604 2.932) 10.525 22.810 ( 7.405 2.144 -5.328) 9.371 23.535 ( -5.007 -8.201 9.860) 13.767 23.683 ( -7.584 -10.907 -6.266) 14.688 24.799 ( -1.959 4.905 1.883) 5.607 24.836 ( -2.737 1.582 -1.920) 3.699 25.379 ( -0.117 -14.225 1.400) 14.294 25.404 ( -0.647 -13.322 -1.156) 13.388 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.466 -2.397 3.610) 4.358 1.879 ( -4.029 -3.366 3.574) 6.351 1.913 ( 1.085 -4.641 -4.818) 6.777 1.960 ( -3.466 -5.579 -5.056) 8.289 2.374 ( -0.446 1.516 0.036) 1.581 2.379 ( -0.871 1.245 -0.406) 1.573 2.552 ( -0.268 -1.101 -1.053) 1.547 2.564 ( -1.326 -1.378 -2.216) 2.927 3.291 ( 7.345 16.539 3.479) 18.429 3.351 ( 3.138 16.817 -2.930) 17.356 3.601 ( -6.679 12.551 1.754) 14.325 3.625 ( -6.983 12.526 -0.560) 14.352 4.347 ( 3.073 12.881 7.606) 15.272 4.416 ( -4.142 12.595 1.979) 13.405 4.474 ( 1.157 9.524 -3.187) 10.109 4.497 ( -0.954 7.824 -7.209) 10.681 4.701 ( 1.409 0.829 4.315) 4.614 4.761 ( -3.278 0.620 -0.521) 3.377 4.851 ( 0.207 7.147 -0.071) 7.151 4.898 ( -5.331 7.786 -4.125) 10.298 5.045 ( 0.663 -4.957 0.067) 5.001 5.081 ( 0.265 -4.986 -2.834) 5.742 5.311 ( -3.766 -7.146 1.502) 8.216 5.352 ( -6.124 -8.014 -2.365) 10.359 5.955 ( 8.424 9.500 2.953) 13.035 6.020 ( 2.913 6.234 -2.143) 7.207 6.062 ( 7.036 10.239 0.052) 12.424 6.101 ( 3.409 6.648 -2.644) 7.925 6.608 ( 5.626 1.306 4.886) 7.565 6.671 ( -0.065 2.051 -1.696) 2.662 7.104 ( 4.149 6.376 2.341) 7.959 7.143 ( 1.668 10.834 -1.523) 11.067 7.211 ( 7.619 -2.165 9.977) 12.739 7.377 ( -2.336 -2.530 -6.242) 7.129 7.551 ( -4.544 3.397 2.239) 6.100 7.603 ( -4.850 -0.341 -1.863) 5.206 7.805 ( -3.838 5.774 4.865) 8.470 7.818 ( -5.700 5.606 2.415) 8.352 8.022 ( 1.240 7.001 3.484) 7.918 8.062 ( -2.598 5.078 -1.357) 5.864 8.513 ( 1.566 1.172 14.355) 14.488 8.560 ( -2.819 1.057 11.300) 11.694 8.651 ( 2.491 -0.494 8.368) 8.745 8.729 ( -5.123 -1.979 5.961) 8.105 9.107 ( -0.360 13.495 -2.050) 13.655 9.121 ( -1.614 12.478 -0.991) 12.621 9.257 ( 1.612 8.001 -14.664) 16.782 9.307 ( -3.152 5.924 -13.908) 15.442 9.644 ( 2.676 13.820 -1.216) 14.129 9.692 ( -1.966 13.283 -4.710) 14.230 9.756 ( 1.038 11.410 -4.512) 12.314 9.792 ( -2.570 11.317 -5.913) 13.025 10.365 ( 8.552 12.623 4.973) 16.038 10.415 ( 5.141 12.991 0.352) 13.976 10.490 ( 2.071 10.022 -6.163) 11.946 10.521 ( 0.795 7.064 -8.437) 11.032 10.731 ( -1.197 8.190 0.799) 8.316 10.790 ( -4.965 7.012 -4.985) 9.933 11.237 ( -0.384 -7.497 2.945) 8.064 11.244 ( -1.189 -9.118 1.887) 9.387 11.379 ( 3.964 0.970 3.679) 5.494 11.427 ( 3.171 -1.036 0.480) 3.371 11.527 ( -4.858 1.460 2.801) 5.795 11.583 ( -6.999 -0.399 -1.471) 7.163 12.815 ( 3.394 -4.643 -0.753) 5.800 12.834 ( 1.861 -5.658 -2.363) 6.408 12.917 ( -2.720 -6.634 -0.877) 7.223 12.921 ( -3.338 -6.024 -1.614) 7.074 14.227 ( 1.735 13.301 1.844) 13.540 14.241 ( 0.799 13.492 0.415) 13.522 14.345 ( -0.392 11.940 2.379) 12.181 14.371 ( -2.457 11.560 -0.205) 11.820 15.167 ( 6.743 14.137 6.017) 16.778 15.255 ( 5.089 11.109 -2.909) 12.560 15.311 ( -6.428 11.140 4.781) 13.721 15.371 ( -5.247 8.689 -1.265) 10.229 16.796 ( 1.768 10.280 4.136) 11.221 16.831 ( -1.683 9.409 2.400) 9.855 16.894 ( 1.438 6.137 -4.186) 7.567 16.922 ( -1.368 5.550 -4.965) 7.571 19.329 ( 9.409 17.579 11.631) 23.083 19.547 ( -8.624 12.225 4.447) 15.608 19.574 ( 3.254 8.353 -8.125) 12.099 19.747 ( -10.053 4.457 -10.427) 15.154 21.092 ( 4.963 4.593 2.834) 7.332 21.126 ( 2.056 3.869 -0.145) 4.384 21.273 ( 3.229 -0.470 1.054) 3.429 21.313 ( -0.422 -0.856 -2.595) 2.765 22.964 ( 10.778 -2.559 0.829) 11.109 22.989 ( 8.560 -1.572 -1.958) 8.921 23.413 ( -5.133 -12.063 4.605) 13.895 23.486 ( -10.948 -13.046 -3.307) 17.349 24.767 ( -0.730 5.843 1.404) 6.054 24.782 ( -2.173 4.638 -0.080) 5.123 25.380 ( 0.247 -13.865 0.366) 13.872 25.390 ( -0.703 -13.533 -0.624) 13.566 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 -0.286 1.461) 1.488 1.862 ( 0.000 -1.679 -0.026) 1.679 1.997 ( 0.000 -1.017 0.063) 1.018 2.006 ( 0.000 -1.791 -0.720) 1.931 2.418 ( 0.000 0.570 0.055) 0.573 2.438 ( 0.000 -0.231 -1.968) 1.981 2.500 ( 0.000 -1.212 0.922) 1.522 2.529 ( 0.000 -2.800 -1.996) 3.438 3.432 ( 0.000 12.740 2.871) 13.060 3.503 ( 0.000 6.660 -4.900) 8.268 3.963 ( 0.000 5.112 0.904) 5.192 3.977 ( 0.000 3.772 -0.681) 3.834 4.413 ( 0.000 4.635 9.883) 10.916 4.523 ( 0.000 -4.548 -0.517) 4.577 4.666 ( 0.000 5.371 -0.128) 5.373 4.695 ( 0.000 0.390 -1.433) 1.485 4.741 ( 0.000 -0.653 -7.991) 8.018 4.748 ( 0.000 -3.871 -5.618) 6.823 5.005 ( 0.000 3.394 3.710) 5.029 5.069 ( 0.000 -2.065 -2.510) 3.250 5.153 ( 0.000 4.163 0.475) 4.190 5.167 ( 0.000 1.493 -0.504) 1.576 5.577 ( 0.000 2.131 -0.178) 2.138 5.581 ( 0.000 1.821 -0.602) 1.918 5.666 ( 0.000 3.008 5.578) 6.337 5.710 ( 0.000 -2.356 9.431) 9.721 5.784 ( 0.000 4.502 -6.465) 7.878 5.882 ( 0.000 -5.538 -8.995) 10.563 6.544 ( 0.000 4.163 1.649) 4.478 6.582 ( 0.000 0.705 -2.327) 2.432 6.976 ( 0.000 3.466 7.624) 8.375 7.006 ( 0.000 0.687 3.110) 3.185 7.242 ( 0.000 2.516 -2.374) 3.459 7.313 ( 0.000 -4.119 -9.229) 10.106 7.771 ( 0.000 2.153 1.816) 2.817 7.823 ( 0.000 -2.665 -3.560) 4.447 8.064 ( 0.000 1.282 2.226) 2.569 8.073 ( 0.000 0.277 1.097) 1.131 8.162 ( 0.000 5.459 12.679) 13.804 8.184 ( 0.000 3.424 10.049) 10.616 8.592 ( 0.000 3.947 10.422) 11.144 8.620 ( 0.000 1.755 6.818) 7.040 8.795 ( 0.000 0.223 14.403) 14.405 8.813 ( 0.000 -2.532 15.594) 15.798 9.360 ( 0.000 4.986 -11.639) 12.662 9.382 ( 0.000 2.361 -14.915) 15.101 9.395 ( 0.000 8.020 -10.102) 12.899 9.452 ( 0.000 2.161 -14.564) 14.723 9.762 ( 0.000 4.447 -3.994) 5.977 9.770 ( 0.000 3.054 -5.786) 6.542 10.036 ( 0.000 8.714 1.679) 8.875 10.069 ( 0.000 4.963 -2.237) 5.444 10.291 ( 0.000 9.514 1.394) 9.616 10.353 ( 0.000 4.500 -5.216) 6.889 10.511 ( 0.000 3.606 0.140) 3.609 10.539 ( 0.000 4.124 -2.266) 4.706 10.798 ( 0.000 0.455 0.223) 0.507 10.858 ( 0.000 -4.544 -5.903) 7.449 11.010 ( 0.000 -9.562 3.034) 10.032 11.040 ( 0.000 -12.263 -0.471) 12.272 11.331 ( 0.000 1.893 3.432) 3.919 11.363 ( 0.000 -1.130 0.032) 1.131 11.820 ( 0.000 4.660 3.601) 5.889 11.848 ( 0.000 1.927 0.932) 2.141 12.654 ( 0.000 -1.633 0.457) 1.695 12.676 ( 0.000 -3.697 -1.688) 4.064 12.911 ( 0.000 -2.152 -0.555) 2.222 12.922 ( 0.000 -3.103 -1.784) 3.579 14.365 ( 0.000 5.417 -0.280) 5.424 14.369 ( 0.000 5.117 -0.440) 5.136 14.605 ( 0.000 6.349 1.800) 6.599 14.616 ( 0.000 5.144 0.720) 5.194 15.275 ( 0.000 8.102 2.785) 8.567 15.308 ( 0.000 4.731 -0.514) 4.759 15.609 ( 0.000 4.508 2.537) 5.173 15.617 ( 0.000 3.829 1.601) 4.150 16.911 ( 0.000 4.701 3.167) 5.668 16.937 ( 0.000 1.805 0.076) 1.806 16.983 ( 0.000 3.072 -1.023) 3.238 17.006 ( 0.000 0.805 -2.959) 3.067 19.470 ( 0.000 11.361 3.344) 11.843 19.558 ( 0.000 2.603 -6.115) 6.646 19.947 ( 0.000 -3.010 -0.588) 3.067 19.949 ( 0.000 -3.331 -0.653) 3.394 20.883 ( 0.000 2.477 2.391) 3.442 20.918 ( 0.000 -1.005 -1.348) 1.681 21.217 ( 0.000 1.592 1.787) 2.393 21.249 ( 0.000 -1.666 -1.605) 2.313 22.744 ( 0.000 4.374 1.357) 4.579 22.790 ( 0.000 0.185 -3.632) 3.636 23.508 ( 0.000 -0.158 5.471) 5.473 23.583 ( 0.000 -7.182 -2.585) 7.633 24.915 ( 0.000 4.541 0.288) 4.550 24.927 ( 0.000 5.555 -1.056) 5.655 25.142 ( 0.000 -8.620 2.296) 8.920 25.176 ( 0.000 -9.952 -1.408) 10.051 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -2.153 -0.476 1.473) 2.652 1.842 ( -1.675 -2.375 -0.591) 2.966 1.939 ( -5.170 -0.677 0.405) 5.230 1.959 ( -4.468 -2.632 -1.659) 5.444 2.413 ( -0.374 1.353 0.017) 1.403 2.433 ( -0.457 1.056 -2.095) 2.390 2.494 ( -0.531 -2.247 0.906) 2.480 2.523 ( -0.700 -3.339 -2.055) 3.983 3.479 ( 4.680 12.835 2.752) 13.936 3.542 ( 3.909 7.665 -4.160) 9.557 3.901 ( -5.257 3.967 1.175) 6.690 3.914 ( -5.481 3.305 -0.334) 6.409 4.450 ( 2.614 5.043 7.999) 9.811 4.559 ( 1.996 -4.713 -1.271) 5.273 4.639 ( -4.800 -0.288 -0.164) 4.812 4.674 ( -2.352 -1.056 -0.640) 2.656 4.724 ( -1.839 8.085 -3.467) 8.987 4.744 ( 2.309 3.365 -4.889) 6.368 4.917 ( -4.832 -1.110 0.119) 4.960 4.951 ( -2.483 -3.560 -3.306) 5.456 5.162 ( -3.857 5.456 1.513) 6.850 5.188 ( -4.222 4.505 -0.991) 6.253 5.341 ( -13.049 -4.809 2.727) 14.171 5.361 ( -11.647 -5.659 0.714) 12.969 5.891 ( 12.700 5.014 -0.686) 13.671 5.901 ( 15.136 4.114 -1.512) 15.758 5.998 ( 14.818 2.595 0.408) 15.049 6.022 ( 11.322 0.071 -2.234) 11.540 6.563 ( 3.450 3.661 2.192) 5.487 6.614 ( 4.956 -0.948 -3.186) 5.967 7.051 ( 1.640 3.060 10.027) 10.611 7.114 ( 6.519 -0.984 7.395) 9.907 7.202 ( -0.369 3.291 -6.480) 7.278 7.293 ( 1.375 -4.529 -10.775) 11.768 7.708 ( -6.038 1.822 1.982) 6.611 7.747 ( -7.183 -1.378 -1.745) 7.520 8.005 ( -5.403 1.459 2.365) 6.076 8.012 ( -5.214 0.968 1.632) 5.549 8.157 ( -1.128 5.168 8.938) 10.386 8.183 ( -1.270 2.697 6.790) 7.415 8.574 ( -1.123 3.976 11.484) 12.204 8.617 ( -0.817 0.562 6.497) 6.572 8.702 ( -6.958 0.870 14.313) 15.938 8.757 ( -5.574 -4.315 12.372) 14.239 9.326 ( -2.135 5.692 -8.991) 10.853 9.365 ( -1.250 2.348 -11.650) 11.950 9.376 ( -2.161 7.040 -9.106) 11.712 9.432 ( -2.028 1.505 -13.462) 13.697 9.787 ( 2.684 5.722 -2.625) 6.843 9.826 ( 4.327 2.253 -7.451) 8.906 9.988 ( -3.259 10.049 2.266) 10.804 10.045 ( -2.289 5.774 -3.861) 7.313 10.384 ( 7.982 7.596 1.408) 11.108 10.448 ( 7.980 2.461 -5.420) 9.956 10.538 ( 2.410 4.425 -0.362) 5.052 10.574 ( 2.734 3.715 -4.027) 6.123 10.817 ( 1.917 0.652 0.119) 2.028 10.859 ( 0.331 -2.766 -4.455) 5.254 11.041 ( 2.457 -8.091 2.521) 8.823 11.061 ( 1.543 -9.872 0.249) 9.995 11.323 ( -0.002 0.535 3.114) 3.160 11.344 ( -1.084 -1.196 0.631) 1.733 11.751 ( -6.795 3.982 3.082) 8.457 11.773 ( -7.306 1.704 1.063) 7.577 12.677 ( 2.320 -1.895 0.087) 2.997 12.693 ( 1.775 -3.431 -1.430) 4.119 12.886 ( -2.536 -2.216 -0.610) 3.423 12.895 ( -2.643 -3.066 -1.755) 4.412 14.385 ( 1.989 5.739 0.047) 6.074 14.392 ( 2.217 5.115 -0.558) 5.603 14.580 ( -2.466 6.240 1.713) 6.924 14.593 ( -2.317 4.843 0.357) 5.380 15.307 ( 3.168 7.918 3.040) 9.054 15.340 ( 3.093 4.569 -0.228) 5.523 15.581 ( -2.956 4.760 2.560) 6.160 15.587 ( -2.857 4.134 1.886) 5.367 16.919 ( 0.789 4.568 2.677) 5.353 16.945 ( 0.756 1.760 -0.305) 1.940 16.978 ( -0.574 3.197 -0.681) 3.319 17.001 ( -0.519 0.862 -2.737) 2.916 19.501 ( 3.159 10.757 3.313) 11.691 19.589 ( 2.969 2.131 -5.952) 6.984 19.857 ( -7.340 0.381 1.043) 7.424 19.889 ( -5.537 -3.136 -2.298) 6.766 21.002 ( 9.687 1.795 1.574) 9.977 21.025 ( 9.203 -0.462 -0.864) 9.255 21.228 ( 1.033 1.288 1.856) 2.484 21.260 ( 1.039 -1.891 -1.549) 2.656 22.795 ( 5.462 3.068 1.116) 6.364 22.833 ( 4.725 -0.336 -3.056) 5.637 23.434 ( -7.517 -1.197 4.615) 8.901 23.497 ( -8.544 -7.178 -2.290) 11.392 24.910 ( -0.321 6.157 0.714) 6.206 24.926 ( -0.164 6.648 -1.018) 6.727 25.133 ( -0.699 -9.749 1.951) 9.967 25.163 ( -1.177 -10.566 -1.272) 10.707 ======================= Grid point 162 (63/63) ======================= q-point: ( 0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.154 -0.715 1.192) 1.398 1.820 ( -0.093 -3.174 -1.697) 3.601 1.836 ( -4.103 -1.040 0.562) 4.270 1.865 ( -4.173 -3.616 -2.445) 6.039 2.411 ( 0.283 2.744 -0.338) 2.780 2.422 ( -0.678 3.065 -1.431) 3.449 2.488 ( 0.159 -4.014 -0.200) 4.022 2.502 ( -1.165 -4.064 -1.671) 4.546 3.602 ( 7.350 12.300 2.205) 14.497 3.644 ( 5.492 9.574 -2.206) 11.256 3.781 ( -6.377 4.840 1.483) 8.142 3.799 ( -5.956 3.897 -0.272) 7.123 4.480 ( 0.742 3.547 3.403) 4.971 4.523 ( -4.085 1.965 -1.077) 4.659 4.561 ( -1.809 -3.734 1.005) 4.269 4.585 ( -4.027 -3.430 -1.503) 5.499 4.769 ( 5.879 9.462 1.470) 11.236 4.820 ( 3.316 9.706 -2.744) 10.617 4.921 ( 5.047 -3.232 2.012) 6.322 4.976 ( -2.001 -2.192 -2.279) 3.742 5.028 ( -2.701 1.426 -2.126) 3.721 5.041 ( -6.550 4.414 -2.063) 8.163 5.131 ( -8.185 -8.531 2.007) 11.992 5.177 ( -8.023 -8.135 -2.499) 11.696 6.130 ( 8.960 6.948 0.880) 11.372 6.153 ( 7.535 5.274 -1.294) 9.288 6.217 ( 7.171 3.627 0.997) 8.097 6.230 ( 6.691 3.025 -0.490) 7.359 6.685 ( 7.483 7.370 2.774) 10.863 6.745 ( 4.449 5.177 -3.422) 7.636 6.989 ( -2.475 -8.682 4.759) 10.206 7.051 ( -6.125 -10.864 -1.663) 12.582 7.360 ( 9.095 6.632 1.204) 11.320 7.409 ( 6.349 2.009 -3.763) 7.648 7.563 ( -7.902 -0.458 1.180) 8.003 7.580 ( -8.237 -1.471 -0.309) 8.373 7.924 ( -0.729 5.758 3.692) 6.879 7.938 ( -0.968 5.093 1.647) 5.440 8.089 ( -4.958 -0.127 4.543) 6.725 8.104 ( -5.746 -1.170 2.578) 6.405 8.559 ( -0.295 3.651 12.479) 13.005 8.580 ( -2.327 1.433 9.686) 10.064 8.623 ( -0.441 -1.873 10.443) 10.619 8.655 ( -3.568 -4.618 9.777) 11.386 9.303 ( -0.008 6.464 -6.254) 8.995 9.327 ( -2.254 7.126 -6.981) 10.227 9.354 ( 0.434 1.349 -10.354) 10.451 9.384 ( -2.399 1.194 -11.761) 12.063 9.855 ( 3.830 7.778 -0.644) 8.694 9.908 ( 3.167 4.595 -6.177) 8.325 9.929 ( -2.206 8.217 0.974) 8.564 9.988 ( -3.502 4.950 -5.000) 7.859 10.535 ( 5.843 4.884 -0.223) 7.618 10.574 ( 1.687 2.185 -3.210) 4.234 10.592 ( 3.737 2.342 -4.092) 6.016 10.614 ( 0.952 2.168 -5.093) 5.617 10.871 ( 3.166 4.444 -0.139) 5.458 10.881 ( 1.851 3.447 -1.447) 4.172 11.046 ( -1.890 -7.969 1.211) 8.280 11.058 ( -2.413 -7.762 0.292) 8.134 11.388 ( 7.234 -0.250 2.534) 7.669 11.392 ( 7.280 -1.052 2.074) 7.642 11.576 ( -10.343 1.935 2.431) 10.800 11.587 ( -10.856 0.510 1.559) 10.979 12.740 ( 3.901 -2.248 -0.723) 4.560 12.745 ( 3.414 -2.742 -1.101) 4.515 12.821 ( -3.812 -2.585 -0.731) 4.663 12.826 ( -4.124 -3.018 -1.468) 5.316 14.438 ( 3.122 6.653 0.569) 7.371 14.448 ( 3.070 5.881 -0.481) 6.652 14.520 ( -3.115 5.189 1.226) 6.175 14.533 ( -3.459 4.081 -0.149) 5.352 15.392 ( 5.245 7.229 3.395) 9.555 15.420 ( 4.828 4.299 0.560) 6.488 15.497 ( -5.229 5.996 3.180) 8.568 15.514 ( -4.526 4.178 1.483) 6.335 16.939 ( 1.114 4.241 1.473) 4.625 16.958 ( -0.426 3.469 -0.263) 3.505 16.968 ( 0.526 1.650 -0.678) 1.860 16.987 ( -0.946 1.036 -2.065) 2.497 19.586 ( 5.409 8.727 3.111) 10.728 19.666 ( 4.805 0.693 -5.334) 7.213 19.709 ( -7.129 5.078 2.436) 9.085 19.772 ( -5.942 -1.422 -4.124) 7.371 21.165 ( 5.687 2.883 1.395) 6.527 21.186 ( 4.875 1.742 -0.803) 5.238 21.248 ( 1.090 -0.980 1.489) 2.089 21.274 ( -0.249 -2.523 -1.231) 2.818 22.959 ( 10.592 1.510 0.792) 10.728 22.982 ( 9.951 -0.040 -1.780) 10.109 23.237 ( -11.149 -4.508 2.578) 12.299 23.275 ( -12.928 -7.578 -1.536) 15.063 24.910 ( 0.353 8.725 0.835) 8.772 24.920 ( -0.502 9.004 -0.162) 9.019 25.124 ( 0.025 -11.824 0.752) 11.848 25.138 ( -1.227 -11.858 -0.631) 11.938 =================== 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 3/31200 10.0 382.369 580.151 442.554 0.000 0.000 0.000 3/31200 20.0 79.662 140.889 98.152 0.000 0.000 0.000 3/31200 30.0 34.825 61.666 42.187 0.000 0.000 0.000 3/31200 40.0 19.758 35.852 23.919 0.000 0.000 0.000 3/31200 50.0 13.039 24.676 15.909 0.000 0.000 0.000 3/31200 60.0 9.487 18.802 11.701 0.000 0.000 0.000 3/31200 70.0 7.374 15.268 9.201 0.000 0.000 0.000 3/31200 80.0 6.005 12.929 7.582 0.000 0.000 0.000 3/31200 90.0 5.060 11.269 6.463 0.000 0.000 0.000 3/31200 100.0 4.374 10.025 5.649 0.000 0.000 0.000 3/31200 110.0 3.857 9.056 5.033 0.000 0.000 0.000 3/31200 120.0 3.455 8.277 4.551 0.000 0.000 0.000 3/31200 130.0 3.135 7.635 4.164 0.000 0.000 0.000 3/31200 140.0 2.874 7.096 3.846 0.000 0.000 0.000 3/31200 150.0 2.658 6.635 3.579 0.000 0.000 0.000 3/31200 160.0 2.476 6.236 3.352 0.000 0.000 0.000 3/31200 170.0 2.322 5.887 3.155 0.000 0.000 0.000 3/31200 180.0 2.188 5.579 2.984 0.000 0.000 0.000 3/31200 190.0 2.072 5.304 2.832 0.000 0.000 0.000 3/31200 200.0 1.970 5.057 2.697 0.000 0.000 0.000 3/31200 210.0 1.879 4.834 2.576 0.000 0.000 0.000 3/31200 220.0 1.798 4.632 2.467 0.000 0.000 0.000 3/31200 230.0 1.725 4.447 2.367 0.000 0.000 0.000 3/31200 240.0 1.659 4.277 2.276 0.000 0.000 0.000 3/31200 250.0 1.599 4.120 2.192 0.000 0.000 0.000 3/31200 260.0 1.543 3.976 2.115 0.000 0.000 0.000 3/31200 270.0 1.492 3.841 2.043 0.000 0.000 0.000 3/31200 280.0 1.445 3.716 1.977 0.000 0.000 0.000 3/31200 290.0 1.401 3.599 1.914 0.000 0.000 0.000 3/31200 300.0 1.360 3.490 1.856 0.000 0.000 0.000 3/31200 310.0 1.322 3.387 1.802 0.000 0.000 0.000 3/31200 320.0 1.286 3.290 1.750 0.000 0.000 0.000 3/31200 330.0 1.252 3.199 1.702 0.000 0.000 0.000 3/31200 340.0 1.220 3.113 1.656 0.000 0.000 0.000 3/31200 350.0 1.189 3.031 1.613 0.000 0.000 0.000 3/31200 360.0 1.160 2.954 1.572 0.000 0.000 0.000 3/31200 370.0 1.133 2.880 1.533 0.000 0.000 0.000 3/31200 380.0 1.107 2.810 1.496 0.000 0.000 0.000 3/31200 390.0 1.082 2.744 1.460 0.000 0.000 0.000 3/31200 400.0 1.059 2.681 1.427 0.000 0.000 0.000 3/31200 410.0 1.036 2.620 1.394 0.000 0.000 0.000 3/31200 420.0 1.014 2.562 1.364 0.000 0.000 0.000 3/31200 430.0 0.993 2.507 1.334 0.000 0.000 0.000 3/31200 440.0 0.973 2.454 1.306 0.000 0.000 0.000 3/31200 450.0 0.954 2.403 1.279 0.000 0.000 0.000 3/31200 460.0 0.936 2.354 1.253 0.000 0.000 0.000 3/31200 470.0 0.918 2.307 1.228 0.000 0.000 0.000 3/31200 480.0 0.901 2.262 1.205 0.000 0.000 0.000 3/31200 490.0 0.885 2.219 1.182 0.000 0.000 0.000 3/31200 500.0 0.869 2.177 1.159 0.000 0.000 0.000 3/31200 510.0 0.854 2.137 1.138 0.000 0.000 0.000 3/31200 520.0 0.839 2.098 1.117 0.000 0.000 0.000 3/31200 530.0 0.824 2.061 1.098 0.000 0.000 0.000 3/31200 540.0 0.811 2.025 1.078 0.000 0.000 0.000 3/31200 550.0 0.797 1.990 1.060 0.000 0.000 0.000 3/31200 560.0 0.784 1.957 1.042 0.000 0.000 0.000 3/31200 570.0 0.772 1.924 1.025 0.000 0.000 0.000 3/31200 580.0 0.760 1.892 1.008 0.000 0.000 0.000 3/31200 590.0 0.748 1.862 0.992 0.000 0.000 0.000 3/31200 600.0 0.736 1.832 0.976 0.000 0.000 0.000 3/31200 610.0 0.725 1.804 0.961 0.000 0.000 0.000 3/31200 620.0 0.715 1.776 0.946 0.000 0.000 0.000 3/31200 630.0 0.704 1.749 0.932 0.000 0.000 0.000 3/31200 640.0 0.694 1.723 0.918 0.000 0.000 0.000 3/31200 650.0 0.684 1.698 0.904 0.000 0.000 0.000 3/31200 660.0 0.674 1.673 0.891 0.000 0.000 0.000 3/31200 670.0 0.665 1.649 0.878 0.000 0.000 0.000 3/31200 680.0 0.656 1.626 0.866 0.000 0.000 0.000 3/31200 690.0 0.647 1.603 0.854 0.000 0.000 0.000 3/31200 700.0 0.639 1.581 0.842 0.000 0.000 0.000 3/31200 710.0 0.630 1.560 0.831 0.000 0.000 0.000 3/31200 720.0 0.622 1.539 0.820 0.000 0.000 0.000 3/31200 730.0 0.614 1.518 0.809 0.000 0.000 0.000 3/31200 740.0 0.606 1.499 0.798 0.000 0.000 0.000 3/31200 750.0 0.599 1.479 0.788 0.000 0.000 0.000 3/31200 760.0 0.591 1.461 0.778 0.000 0.000 0.000 3/31200 770.0 0.584 1.442 0.768 0.000 0.000 0.000 3/31200 780.0 0.577 1.424 0.759 0.000 0.000 0.000 3/31200 790.0 0.570 1.407 0.750 0.000 0.000 0.000 3/31200 800.0 0.563 1.390 0.741 0.000 0.000 0.000 3/31200 810.0 0.557 1.373 0.732 0.000 0.000 0.000 3/31200 820.0 0.550 1.357 0.723 0.000 0.000 0.000 3/31200 830.0 0.544 1.341 0.715 0.000 0.000 0.000 3/31200 840.0 0.538 1.326 0.706 0.000 0.000 0.000 3/31200 850.0 0.532 1.310 0.698 0.000 0.000 0.000 3/31200 860.0 0.526 1.296 0.690 0.000 0.000 0.000 3/31200 870.0 0.520 1.281 0.683 0.000 0.000 0.000 3/31200 880.0 0.515 1.267 0.675 0.000 0.000 0.000 3/31200 890.0 0.509 1.253 0.668 0.000 0.000 0.000 3/31200 900.0 0.504 1.239 0.660 0.000 0.000 0.000 3/31200 910.0 0.498 1.226 0.653 0.000 0.000 0.000 3/31200 920.0 0.493 1.213 0.646 0.000 0.000 0.000 3/31200 930.0 0.488 1.200 0.640 0.000 0.000 0.000 3/31200 940.0 0.483 1.188 0.633 0.000 0.000 0.000 3/31200 950.0 0.478 1.176 0.627 0.000 0.000 0.000 3/31200 960.0 0.473 1.164 0.620 0.000 0.000 0.000 3/31200 970.0 0.469 1.152 0.614 0.000 0.000 0.000 3/31200 980.0 0.464 1.141 0.608 0.000 0.000 0.000 3/31200 990.0 0.460 1.129 0.602 0.000 0.000 0.000 3/31200 1000.0 0.455 1.118 0.596 0.000 0.000 0.000 3/31200 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:04:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|