----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:01:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516967760837995 0.000000000000000 0.000000000000000 b 0.000000000000000 4.248153120000000 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): *1 O 0.84958774790863 0.85958864861264 0.32360367614390 15.999 2 O 0.15041225209137 0.35958864861264 0.17639632385610 15.999 3 O 0.15041225209137 0.14041135138736 0.67639632385611 15.999 4 O 0.84958774790863 0.64041135138736 0.82360367614389 15.999 *5 O 0.63499226311163 0.16036389280561 0.42290531903312 15.999 6 O 0.36500773688837 0.66036389280561 0.07709468096688 15.999 7 O 0.36500773688837 0.83963610719439 0.57709468096688 15.999 8 O 0.63499226311163 0.33963610719439 0.92290531903312 15.999 *9 O 0.43505496141851 0.74357836202089 0.78123204690788 15.999 10 O 0.56494503858149 0.24357836202089 0.71876795309212 15.999 11 O 0.56494503858149 0.25642163797911 0.21876795309212 15.999 12 O 0.43505496141851 0.75642163797911 0.28123204690788 15.999 *13 P 0.63967777896505 0.00854421188320 0.32142322335283 30.974 14 P 0.36032222103495 0.50854421188320 0.17857677664717 30.974 15 P 0.36032222103495 0.99145578811680 0.67857677664717 30.974 16 P 0.63967777896505 0.49145578811680 0.82142322335283 30.974 *17 Rb 0.18636287278258 0.36057104196615 0.40765865907992 85.468 18 Rb 0.81363712721742 0.86057104196615 0.09234134092008 85.468 19 Rb 0.81363712721742 0.63942895803385 0.59234134092008 85.468 20 Rb 0.18636287278258 0.13942895803385 0.90765865907992 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.516967760837995 0.000000000000000 0.000000000000000 b 0.000000000000000 4.248153120000000 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): *1 O 0.84958774790863 0.85958864861264 0.32360367614390 15.999 > 1 2 O 0.15041225209137 0.35958864861264 0.17639632385610 15.999 > 2 3 O 0.15041225209137 0.14041135138736 0.67639632385611 15.999 > 3 4 O 0.84958774790863 0.64041135138736 0.82360367614389 15.999 > 4 *5 O 0.63499226311163 0.16036389280561 0.42290531903312 15.999 > 5 6 O 0.36500773688837 0.66036389280561 0.07709468096688 15.999 > 6 7 O 0.36500773688837 0.83963610719439 0.57709468096688 15.999 > 7 8 O 0.63499226311163 0.33963610719439 0.92290531903312 15.999 > 8 *9 O 0.43505496141851 0.74357836202089 0.78123204690788 15.999 > 9 10 O 0.56494503858149 0.24357836202089 0.71876795309212 15.999 > 10 11 O 0.56494503858149 0.25642163797911 0.21876795309212 15.999 > 11 12 O 0.43505496141851 0.75642163797911 0.28123204690788 15.999 > 12 *13 P 0.63967777896505 0.00854421188320 0.32142322335283 30.974 > 13 14 P 0.36032222103495 0.50854421188320 0.17857677664717 30.974 > 14 15 P 0.36032222103495 0.99145578811680 0.67857677664717 30.974 > 15 16 P 0.63967777896505 0.49145578811680 0.82142322335283 30.974 > 16 *17 Rb 0.18636287278258 0.36057104196615 0.40765865907992 85.468 > 17 18 Rb 0.81363712721742 0.86057104196615 0.09234134092008 85.468 > 18 19 Rb 0.81363712721742 0.63942895803385 0.59234134092008 85.468 > 19 20 Rb 0.18636287278258 0.13942895803385 0.90765865907992 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.033935521675989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.744459359999999 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): *1 O 0.42479387395431 0.28652954953755 0.32360367614390 15.999 > 1 2 O 0.92479387395431 0.28652954953755 0.32360367614390 15.999 > 1 3 O 0.42479387395431 0.61986288287088 0.32360367614390 15.999 > 1 4 O 0.92479387395431 0.61986288287088 0.32360367614390 15.999 > 1 5 O 0.42479387395431 0.95319621620421 0.32360367614390 15.999 > 1 6 O 0.92479387395431 0.95319621620421 0.32360367614390 15.999 > 1 7 O 0.07520612604569 0.11986288287088 0.17639632385610 15.999 > 2 8 O 0.57520612604569 0.11986288287088 0.17639632385610 15.999 > 2 9 O 0.07520612604569 0.45319621620421 0.17639632385610 15.999 > 2 10 O 0.57520612604569 0.45319621620421 0.17639632385610 15.999 > 2 11 O 0.07520612604569 0.78652954953755 0.17639632385610 15.999 > 2 12 O 0.57520612604569 0.78652954953755 0.17639632385610 15.999 > 2 13 O 0.07520612604569 0.04680378379579 0.67639632385611 15.999 > 3 14 O 0.57520612604569 0.04680378379579 0.67639632385611 15.999 > 3 15 O 0.07520612604569 0.38013711712912 0.67639632385611 15.999 > 3 16 O 0.57520612604569 0.38013711712912 0.67639632385611 15.999 > 3 17 O 0.07520612604569 0.71347045046245 0.67639632385611 15.999 > 3 18 O 0.57520612604569 0.71347045046245 0.67639632385611 15.999 > 3 19 O 0.42479387395431 0.21347045046245 0.82360367614389 15.999 > 4 20 O 0.92479387395431 0.21347045046245 0.82360367614389 15.999 > 4 21 O 0.42479387395431 0.54680378379579 0.82360367614389 15.999 > 4 22 O 0.92479387395431 0.54680378379579 0.82360367614389 15.999 > 4 23 O 0.42479387395431 0.88013711712912 0.82360367614389 15.999 > 4 24 O 0.92479387395431 0.88013711712912 0.82360367614389 15.999 > 4 *25 O 0.31749613155582 0.05345463093520 0.42290531903312 15.999 > 5 26 O 0.81749613155582 0.05345463093520 0.42290531903312 15.999 > 5 27 O 0.31749613155582 0.38678796426854 0.42290531903312 15.999 > 5 28 O 0.81749613155582 0.38678796426854 0.42290531903312 15.999 > 5 29 O 0.31749613155582 0.72012129760187 0.42290531903312 15.999 > 5 30 O 0.81749613155582 0.72012129760187 0.42290531903312 15.999 > 5 31 O 0.18250386844418 0.22012129760187 0.07709468096688 15.999 > 6 32 O 0.68250386844418 0.22012129760187 0.07709468096688 15.999 > 6 33 O 0.18250386844418 0.55345463093520 0.07709468096688 15.999 > 6 34 O 0.68250386844418 0.55345463093520 0.07709468096688 15.999 > 6 35 O 0.18250386844418 0.88678796426854 0.07709468096688 15.999 > 6 36 O 0.68250386844418 0.88678796426854 0.07709468096688 15.999 > 6 37 O 0.18250386844418 0.27987870239813 0.57709468096688 15.999 > 7 38 O 0.68250386844418 0.27987870239813 0.57709468096688 15.999 > 7 39 O 0.18250386844418 0.61321203573146 0.57709468096688 15.999 > 7 40 O 0.68250386844418 0.61321203573146 0.57709468096688 15.999 > 7 41 O 0.18250386844418 0.94654536906480 0.57709468096688 15.999 > 7 42 O 0.68250386844418 0.94654536906480 0.57709468096688 15.999 > 7 43 O 0.31749613155582 0.11321203573146 0.92290531903312 15.999 > 8 44 O 0.81749613155582 0.11321203573146 0.92290531903312 15.999 > 8 45 O 0.31749613155582 0.44654536906480 0.92290531903312 15.999 > 8 46 O 0.81749613155582 0.44654536906480 0.92290531903312 15.999 > 8 47 O 0.31749613155582 0.77987870239813 0.92290531903312 15.999 > 8 48 O 0.81749613155582 0.77987870239813 0.92290531903312 15.999 > 8 *49 O 0.21752748070926 0.24785945400696 0.78123204690788 15.999 > 9 50 O 0.71752748070926 0.24785945400696 0.78123204690788 15.999 > 9 51 O 0.21752748070926 0.58119278734030 0.78123204690788 15.999 > 9 52 O 0.71752748070926 0.58119278734030 0.78123204690788 15.999 > 9 53 O 0.21752748070926 0.91452612067363 0.78123204690788 15.999 > 9 54 O 0.71752748070926 0.91452612067363 0.78123204690788 15.999 > 9 55 O 0.28247251929074 0.08119278734030 0.71876795309212 15.999 > 10 56 O 0.78247251929074 0.08119278734030 0.71876795309212 15.999 > 10 57 O 0.28247251929074 0.41452612067363 0.71876795309212 15.999 > 10 58 O 0.78247251929074 0.41452612067363 0.71876795309212 15.999 > 10 59 O 0.28247251929074 0.74785945400696 0.71876795309212 15.999 > 10 60 O 0.78247251929074 0.74785945400696 0.71876795309212 15.999 > 10 61 O 0.28247251929074 0.08547387932637 0.21876795309212 15.999 > 11 62 O 0.78247251929074 0.08547387932637 0.21876795309212 15.999 > 11 63 O 0.28247251929074 0.41880721265970 0.21876795309212 15.999 > 11 64 O 0.78247251929074 0.41880721265970 0.21876795309212 15.999 > 11 65 O 0.28247251929074 0.75214054599304 0.21876795309212 15.999 > 11 66 O 0.78247251929074 0.75214054599304 0.21876795309212 15.999 > 11 67 O 0.21752748070926 0.25214054599304 0.28123204690788 15.999 > 12 68 O 0.71752748070926 0.25214054599304 0.28123204690788 15.999 > 12 69 O 0.21752748070926 0.58547387932637 0.28123204690788 15.999 > 12 70 O 0.71752748070926 0.58547387932637 0.28123204690788 15.999 > 12 71 O 0.21752748070926 0.91880721265970 0.28123204690788 15.999 > 12 72 O 0.71752748070926 0.91880721265970 0.28123204690788 15.999 > 12 *73 P 0.31983888948253 0.00284807062773 0.32142322335283 30.974 > 13 74 P 0.81983888948253 0.00284807062773 0.32142322335283 30.974 > 13 75 P 0.31983888948253 0.33618140396107 0.32142322335283 30.974 > 13 76 P 0.81983888948253 0.33618140396107 0.32142322335283 30.974 > 13 77 P 0.31983888948253 0.66951473729440 0.32142322335283 30.974 > 13 78 P 0.81983888948253 0.66951473729440 0.32142322335283 30.974 > 13 79 P 0.18016111051747 0.16951473729440 0.17857677664717 30.974 > 14 80 P 0.68016111051747 0.16951473729440 0.17857677664717 30.974 > 14 81 P 0.18016111051747 0.50284807062773 0.17857677664717 30.974 > 14 82 P 0.68016111051747 0.50284807062773 0.17857677664717 30.974 > 14 83 P 0.18016111051747 0.83618140396107 0.17857677664717 30.974 > 14 84 P 0.68016111051747 0.83618140396107 0.17857677664717 30.974 > 14 85 P 0.18016111051747 0.33048526270560 0.67857677664717 30.974 > 15 86 P 0.68016111051747 0.33048526270560 0.67857677664717 30.974 > 15 87 P 0.18016111051747 0.66381859603893 0.67857677664717 30.974 > 15 88 P 0.68016111051747 0.66381859603893 0.67857677664717 30.974 > 15 89 P 0.18016111051747 0.99715192937227 0.67857677664717 30.974 > 15 90 P 0.68016111051747 0.99715192937227 0.67857677664717 30.974 > 15 91 P 0.31983888948253 0.16381859603893 0.82142322335283 30.974 > 16 92 P 0.81983888948253 0.16381859603893 0.82142322335283 30.974 > 16 93 P 0.31983888948253 0.49715192937227 0.82142322335283 30.974 > 16 94 P 0.81983888948253 0.49715192937227 0.82142322335283 30.974 > 16 95 P 0.31983888948253 0.83048526270560 0.82142322335283 30.974 > 16 96 P 0.81983888948253 0.83048526270560 0.82142322335283 30.974 > 16 *97 Rb 0.09318143639129 0.12019034732205 0.40765865907992 85.468 > 17 98 Rb 0.59318143639129 0.12019034732205 0.40765865907992 85.468 > 17 99 Rb 0.09318143639129 0.45352368065538 0.40765865907992 85.468 > 17 100 Rb 0.59318143639129 0.45352368065538 0.40765865907992 85.468 > 17 101 Rb 0.09318143639129 0.78685701398872 0.40765865907992 85.468 > 17 102 Rb 0.59318143639129 0.78685701398872 0.40765865907992 85.468 > 17 103 Rb 0.40681856360871 0.28685701398872 0.09234134092008 85.468 > 18 104 Rb 0.90681856360871 0.28685701398872 0.09234134092008 85.468 > 18 105 Rb 0.40681856360871 0.62019034732205 0.09234134092008 85.468 > 18 106 Rb 0.90681856360871 0.62019034732205 0.09234134092008 85.468 > 18 107 Rb 0.40681856360871 0.95352368065538 0.09234134092008 85.468 > 18 108 Rb 0.90681856360871 0.95352368065538 0.09234134092008 85.468 > 18 109 Rb 0.40681856360871 0.21314298601128 0.59234134092008 85.468 > 19 110 Rb 0.90681856360871 0.21314298601128 0.59234134092008 85.468 > 19 111 Rb 0.40681856360871 0.54647631934462 0.59234134092008 85.468 > 19 112 Rb 0.90681856360871 0.54647631934462 0.59234134092008 85.468 > 19 113 Rb 0.40681856360871 0.87980965267795 0.59234134092008 85.468 > 19 114 Rb 0.90681856360871 0.87980965267795 0.59234134092008 85.468 > 19 115 Rb 0.09318143639129 0.04647631934462 0.90765865907992 85.468 > 20 116 Rb 0.59318143639129 0.04647631934462 0.90765865907992 85.468 > 20 117 Rb 0.09318143639129 0.37980965267795 0.90765865907992 85.468 > 20 118 Rb 0.59318143639129 0.37980965267795 0.90765865907992 85.468 > 20 119 Rb 0.09318143639129 0.71314298601128 0.90765865907992 85.468 > 20 120 Rb 0.59318143639129 0.71314298601128 0.90765865907992 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3863888 0.0000000 0.0215099 0.0000000 2.4554128 0.0000000 0.0215098 0.0000000 2.4163189 -------------------------- Born effective charges -------------------------- 1 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 2 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 3 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 4 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 5 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 6 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 7 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 8 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 9 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 10 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 11 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 12 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 13 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 14 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 15 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 16 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 17 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 18 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 19 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 20 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.881 Solver_block: 200 / 640 - Time: 0.758 Solver_block: 300 / 640 - Time: 0.751 Solver_block: 400 / 640 - Time: 0.754 Solver_block: 500 / 640 - Time: 0.748 Solver_block: 600 / 640 - Time: 0.747 Solver_block: 640 / 640 - Time: 0.371 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.125 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:01:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:01:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516967760837995 0.000000000000000 0.000000000000000 b 0.000000000000000 4.248153120000000 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): 1 O 0.84958774790863 0.85958864861264 0.32360367614390 15.999 2 O 0.15041225209137 0.35958864861264 0.17639632385610 15.999 3 O 0.15041225209137 0.14041135138736 0.67639632385611 15.999 4 O 0.84958774790863 0.64041135138736 0.82360367614389 15.999 5 O 0.63499226311163 0.16036389280561 0.42290531903312 15.999 6 O 0.36500773688837 0.66036389280561 0.07709468096688 15.999 7 O 0.36500773688837 0.83963610719439 0.57709468096688 15.999 8 O 0.63499226311163 0.33963610719439 0.92290531903312 15.999 9 O 0.43505496141851 0.74357836202089 0.78123204690788 15.999 10 O 0.56494503858149 0.24357836202089 0.71876795309212 15.999 11 O 0.56494503858149 0.25642163797911 0.21876795309212 15.999 12 O 0.43505496141851 0.75642163797911 0.28123204690788 15.999 13 P 0.63967777896505 0.00854421188320 0.32142322335283 30.974 14 P 0.36032222103495 0.50854421188320 0.17857677664717 30.974 15 P 0.36032222103495 0.99145578811680 0.67857677664717 30.974 16 P 0.63967777896505 0.49145578811680 0.82142322335283 30.974 17 Rb 0.18636287278258 0.36057104196615 0.40765865907992 85.468 18 Rb 0.81363712721742 0.86057104196615 0.09234134092008 85.468 19 Rb 0.81363712721742 0.63942895803385 0.59234134092008 85.468 20 Rb 0.18636287278258 0.13942895803385 0.90765865907992 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.033935521675989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.744459359999999 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): 1 O 0.42479387395431 0.28652954953755 0.32360367614390 15.999 > 1 2 O 0.92479387395431 0.28652954953755 0.32360367614390 15.999 > 1 3 O 0.42479387395431 0.61986288287088 0.32360367614390 15.999 > 1 4 O 0.92479387395431 0.61986288287088 0.32360367614390 15.999 > 1 5 O 0.42479387395431 0.95319621620421 0.32360367614390 15.999 > 1 6 O 0.92479387395431 0.95319621620421 0.32360367614390 15.999 > 1 7 O 0.07520612604569 0.11986288287088 0.17639632385610 15.999 > 7 8 O 0.57520612604569 0.11986288287088 0.17639632385610 15.999 > 7 9 O 0.07520612604569 0.45319621620421 0.17639632385610 15.999 > 7 10 O 0.57520612604569 0.45319621620421 0.17639632385610 15.999 > 7 11 O 0.07520612604569 0.78652954953755 0.17639632385610 15.999 > 7 12 O 0.57520612604569 0.78652954953755 0.17639632385610 15.999 > 7 13 O 0.07520612604569 0.04680378379579 0.67639632385611 15.999 > 13 14 O 0.57520612604569 0.04680378379579 0.67639632385611 15.999 > 13 15 O 0.07520612604569 0.38013711712912 0.67639632385611 15.999 > 13 16 O 0.57520612604569 0.38013711712912 0.67639632385611 15.999 > 13 17 O 0.07520612604569 0.71347045046245 0.67639632385611 15.999 > 13 18 O 0.57520612604569 0.71347045046245 0.67639632385611 15.999 > 13 19 O 0.42479387395431 0.21347045046245 0.82360367614389 15.999 > 19 20 O 0.92479387395431 0.21347045046245 0.82360367614389 15.999 > 19 21 O 0.42479387395431 0.54680378379579 0.82360367614389 15.999 > 19 22 O 0.92479387395431 0.54680378379579 0.82360367614389 15.999 > 19 23 O 0.42479387395431 0.88013711712912 0.82360367614389 15.999 > 19 24 O 0.92479387395431 0.88013711712912 0.82360367614389 15.999 > 19 25 O 0.31749613155582 0.05345463093520 0.42290531903312 15.999 > 25 26 O 0.81749613155582 0.05345463093520 0.42290531903312 15.999 > 25 27 O 0.31749613155582 0.38678796426854 0.42290531903312 15.999 > 25 28 O 0.81749613155582 0.38678796426854 0.42290531903312 15.999 > 25 29 O 0.31749613155582 0.72012129760187 0.42290531903312 15.999 > 25 30 O 0.81749613155582 0.72012129760187 0.42290531903312 15.999 > 25 31 O 0.18250386844418 0.22012129760187 0.07709468096688 15.999 > 31 32 O 0.68250386844418 0.22012129760187 0.07709468096688 15.999 > 31 33 O 0.18250386844418 0.55345463093520 0.07709468096688 15.999 > 31 34 O 0.68250386844418 0.55345463093520 0.07709468096688 15.999 > 31 35 O 0.18250386844418 0.88678796426854 0.07709468096688 15.999 > 31 36 O 0.68250386844418 0.88678796426854 0.07709468096688 15.999 > 31 37 O 0.18250386844418 0.27987870239813 0.57709468096688 15.999 > 37 38 O 0.68250386844418 0.27987870239813 0.57709468096688 15.999 > 37 39 O 0.18250386844418 0.61321203573146 0.57709468096688 15.999 > 37 40 O 0.68250386844418 0.61321203573146 0.57709468096688 15.999 > 37 41 O 0.18250386844418 0.94654536906480 0.57709468096688 15.999 > 37 42 O 0.68250386844418 0.94654536906480 0.57709468096688 15.999 > 37 43 O 0.31749613155582 0.11321203573146 0.92290531903312 15.999 > 43 44 O 0.81749613155582 0.11321203573146 0.92290531903312 15.999 > 43 45 O 0.31749613155582 0.44654536906480 0.92290531903312 15.999 > 43 46 O 0.81749613155582 0.44654536906480 0.92290531903312 15.999 > 43 47 O 0.31749613155582 0.77987870239813 0.92290531903312 15.999 > 43 48 O 0.81749613155582 0.77987870239813 0.92290531903312 15.999 > 43 49 O 0.21752748070926 0.24785945400696 0.78123204690788 15.999 > 49 50 O 0.71752748070926 0.24785945400696 0.78123204690788 15.999 > 49 51 O 0.21752748070926 0.58119278734030 0.78123204690788 15.999 > 49 52 O 0.71752748070926 0.58119278734030 0.78123204690788 15.999 > 49 53 O 0.21752748070926 0.91452612067363 0.78123204690788 15.999 > 49 54 O 0.71752748070926 0.91452612067363 0.78123204690788 15.999 > 49 55 O 0.28247251929074 0.08119278734030 0.71876795309212 15.999 > 55 56 O 0.78247251929074 0.08119278734030 0.71876795309212 15.999 > 55 57 O 0.28247251929074 0.41452612067363 0.71876795309212 15.999 > 55 58 O 0.78247251929074 0.41452612067363 0.71876795309212 15.999 > 55 59 O 0.28247251929074 0.74785945400696 0.71876795309212 15.999 > 55 60 O 0.78247251929074 0.74785945400696 0.71876795309212 15.999 > 55 61 O 0.28247251929074 0.08547387932637 0.21876795309212 15.999 > 61 62 O 0.78247251929074 0.08547387932637 0.21876795309212 15.999 > 61 63 O 0.28247251929074 0.41880721265970 0.21876795309212 15.999 > 61 64 O 0.78247251929074 0.41880721265970 0.21876795309212 15.999 > 61 65 O 0.28247251929074 0.75214054599304 0.21876795309212 15.999 > 61 66 O 0.78247251929074 0.75214054599304 0.21876795309212 15.999 > 61 67 O 0.21752748070926 0.25214054599304 0.28123204690788 15.999 > 67 68 O 0.71752748070926 0.25214054599304 0.28123204690788 15.999 > 67 69 O 0.21752748070926 0.58547387932637 0.28123204690788 15.999 > 67 70 O 0.71752748070926 0.58547387932637 0.28123204690788 15.999 > 67 71 O 0.21752748070926 0.91880721265970 0.28123204690788 15.999 > 67 72 O 0.71752748070926 0.91880721265970 0.28123204690788 15.999 > 67 73 P 0.31983888948253 0.00284807062773 0.32142322335283 30.974 > 73 74 P 0.81983888948253 0.00284807062773 0.32142322335283 30.974 > 73 75 P 0.31983888948253 0.33618140396107 0.32142322335283 30.974 > 73 76 P 0.81983888948253 0.33618140396107 0.32142322335283 30.974 > 73 77 P 0.31983888948253 0.66951473729440 0.32142322335283 30.974 > 73 78 P 0.81983888948253 0.66951473729440 0.32142322335283 30.974 > 73 79 P 0.18016111051747 0.16951473729440 0.17857677664717 30.974 > 79 80 P 0.68016111051747 0.16951473729440 0.17857677664717 30.974 > 79 81 P 0.18016111051747 0.50284807062773 0.17857677664717 30.974 > 79 82 P 0.68016111051747 0.50284807062773 0.17857677664717 30.974 > 79 83 P 0.18016111051747 0.83618140396107 0.17857677664717 30.974 > 79 84 P 0.68016111051747 0.83618140396107 0.17857677664717 30.974 > 79 85 P 0.18016111051747 0.33048526270560 0.67857677664717 30.974 > 85 86 P 0.68016111051747 0.33048526270560 0.67857677664717 30.974 > 85 87 P 0.18016111051747 0.66381859603893 0.67857677664717 30.974 > 85 88 P 0.68016111051747 0.66381859603893 0.67857677664717 30.974 > 85 89 P 0.18016111051747 0.99715192937227 0.67857677664717 30.974 > 85 90 P 0.68016111051747 0.99715192937227 0.67857677664717 30.974 > 85 91 P 0.31983888948253 0.16381859603893 0.82142322335283 30.974 > 91 92 P 0.81983888948253 0.16381859603893 0.82142322335283 30.974 > 91 93 P 0.31983888948253 0.49715192937227 0.82142322335283 30.974 > 91 94 P 0.81983888948253 0.49715192937227 0.82142322335283 30.974 > 91 95 P 0.31983888948253 0.83048526270560 0.82142322335283 30.974 > 91 96 P 0.81983888948253 0.83048526270560 0.82142322335283 30.974 > 91 97 Rb 0.09318143639129 0.12019034732205 0.40765865907992 85.468 > 97 98 Rb 0.59318143639129 0.12019034732205 0.40765865907992 85.468 > 97 99 Rb 0.09318143639129 0.45352368065538 0.40765865907992 85.468 > 97 100 Rb 0.59318143639129 0.45352368065538 0.40765865907992 85.468 > 97 101 Rb 0.09318143639129 0.78685701398872 0.40765865907992 85.468 > 97 102 Rb 0.59318143639129 0.78685701398872 0.40765865907992 85.468 > 97 103 Rb 0.40681856360871 0.28685701398872 0.09234134092008 85.468 > 103 104 Rb 0.90681856360871 0.28685701398872 0.09234134092008 85.468 > 103 105 Rb 0.40681856360871 0.62019034732205 0.09234134092008 85.468 > 103 106 Rb 0.90681856360871 0.62019034732205 0.09234134092008 85.468 > 103 107 Rb 0.40681856360871 0.95352368065538 0.09234134092008 85.468 > 103 108 Rb 0.90681856360871 0.95352368065538 0.09234134092008 85.468 > 103 109 Rb 0.40681856360871 0.21314298601128 0.59234134092008 85.468 > 109 110 Rb 0.90681856360871 0.21314298601128 0.59234134092008 85.468 > 109 111 Rb 0.40681856360871 0.54647631934462 0.59234134092008 85.468 > 109 112 Rb 0.90681856360871 0.54647631934462 0.59234134092008 85.468 > 109 113 Rb 0.40681856360871 0.87980965267795 0.59234134092008 85.468 > 109 114 Rb 0.90681856360871 0.87980965267795 0.59234134092008 85.468 > 109 115 Rb 0.09318143639129 0.04647631934462 0.90765865907992 85.468 > 115 116 Rb 0.59318143639129 0.04647631934462 0.90765865907992 85.468 > 115 117 Rb 0.09318143639129 0.37980965267795 0.90765865907992 85.468 > 115 118 Rb 0.59318143639129 0.37980965267795 0.90765865907992 85.468 > 115 119 Rb 0.09318143639129 0.71314298601128 0.90765865907992 85.468 > 115 120 Rb 0.59318143639129 0.71314298601128 0.90765865907992 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3863888 0.0000000 0.0215099 0.0000000 2.4554128 0.0000000 0.0215098 0.0000000 2.4163189 -------------------------- Born effective charges -------------------------- 1 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 2 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 3 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 4 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 5 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 6 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 7 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 8 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 9 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 10 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 11 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 12 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 13 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 14 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 15 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 16 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 17 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 18 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 19 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 20 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 25, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:02:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:02:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.516967760837995 0.000000000000000 0.000000000000000 b 0.000000000000000 4.248153120000000 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): 1 O 0.84958774790863 0.85958864861264 0.32360367614390 15.999 2 O 0.15041225209137 0.35958864861264 0.17639632385610 15.999 3 O 0.15041225209137 0.14041135138736 0.67639632385611 15.999 4 O 0.84958774790863 0.64041135138736 0.82360367614389 15.999 5 O 0.63499226311163 0.16036389280561 0.42290531903312 15.999 6 O 0.36500773688837 0.66036389280561 0.07709468096688 15.999 7 O 0.36500773688837 0.83963610719439 0.57709468096688 15.999 8 O 0.63499226311163 0.33963610719439 0.92290531903312 15.999 9 O 0.43505496141851 0.74357836202089 0.78123204690788 15.999 10 O 0.56494503858149 0.24357836202089 0.71876795309212 15.999 11 O 0.56494503858149 0.25642163797911 0.21876795309212 15.999 12 O 0.43505496141851 0.75642163797911 0.28123204690788 15.999 13 P 0.63967777896505 0.00854421188320 0.32142322335283 30.974 14 P 0.36032222103495 0.50854421188320 0.17857677664717 30.974 15 P 0.36032222103495 0.99145578811680 0.67857677664717 30.974 16 P 0.63967777896505 0.49145578811680 0.82142322335283 30.974 17 Rb 0.18636287278258 0.36057104196615 0.40765865907992 85.468 18 Rb 0.81363712721742 0.86057104196615 0.09234134092008 85.468 19 Rb 0.81363712721742 0.63942895803385 0.59234134092008 85.468 20 Rb 0.18636287278258 0.13942895803385 0.90765865907992 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.033935521675989 0.000000000000000 0.000000000000000 b 0.000000000000000 12.744459359999999 0.000000000000000 c -5.231863527328687 0.000000000000000 12.085688592852526 Atomic positions (fractional): 1 O 0.42479387395431 0.28652954953755 0.32360367614390 15.999 > 1 2 O 0.92479387395431 0.28652954953755 0.32360367614390 15.999 > 1 3 O 0.42479387395431 0.61986288287088 0.32360367614390 15.999 > 1 4 O 0.92479387395431 0.61986288287088 0.32360367614390 15.999 > 1 5 O 0.42479387395431 0.95319621620421 0.32360367614390 15.999 > 1 6 O 0.92479387395431 0.95319621620421 0.32360367614390 15.999 > 1 7 O 0.07520612604569 0.11986288287088 0.17639632385610 15.999 > 7 8 O 0.57520612604569 0.11986288287088 0.17639632385610 15.999 > 7 9 O 0.07520612604569 0.45319621620421 0.17639632385610 15.999 > 7 10 O 0.57520612604569 0.45319621620421 0.17639632385610 15.999 > 7 11 O 0.07520612604569 0.78652954953755 0.17639632385610 15.999 > 7 12 O 0.57520612604569 0.78652954953755 0.17639632385610 15.999 > 7 13 O 0.07520612604569 0.04680378379579 0.67639632385611 15.999 > 13 14 O 0.57520612604569 0.04680378379579 0.67639632385611 15.999 > 13 15 O 0.07520612604569 0.38013711712912 0.67639632385611 15.999 > 13 16 O 0.57520612604569 0.38013711712912 0.67639632385611 15.999 > 13 17 O 0.07520612604569 0.71347045046245 0.67639632385611 15.999 > 13 18 O 0.57520612604569 0.71347045046245 0.67639632385611 15.999 > 13 19 O 0.42479387395431 0.21347045046245 0.82360367614389 15.999 > 19 20 O 0.92479387395431 0.21347045046245 0.82360367614389 15.999 > 19 21 O 0.42479387395431 0.54680378379579 0.82360367614389 15.999 > 19 22 O 0.92479387395431 0.54680378379579 0.82360367614389 15.999 > 19 23 O 0.42479387395431 0.88013711712912 0.82360367614389 15.999 > 19 24 O 0.92479387395431 0.88013711712912 0.82360367614389 15.999 > 19 25 O 0.31749613155582 0.05345463093520 0.42290531903312 15.999 > 25 26 O 0.81749613155582 0.05345463093520 0.42290531903312 15.999 > 25 27 O 0.31749613155582 0.38678796426854 0.42290531903312 15.999 > 25 28 O 0.81749613155582 0.38678796426854 0.42290531903312 15.999 > 25 29 O 0.31749613155582 0.72012129760187 0.42290531903312 15.999 > 25 30 O 0.81749613155582 0.72012129760187 0.42290531903312 15.999 > 25 31 O 0.18250386844418 0.22012129760187 0.07709468096688 15.999 > 31 32 O 0.68250386844418 0.22012129760187 0.07709468096688 15.999 > 31 33 O 0.18250386844418 0.55345463093520 0.07709468096688 15.999 > 31 34 O 0.68250386844418 0.55345463093520 0.07709468096688 15.999 > 31 35 O 0.18250386844418 0.88678796426854 0.07709468096688 15.999 > 31 36 O 0.68250386844418 0.88678796426854 0.07709468096688 15.999 > 31 37 O 0.18250386844418 0.27987870239813 0.57709468096688 15.999 > 37 38 O 0.68250386844418 0.27987870239813 0.57709468096688 15.999 > 37 39 O 0.18250386844418 0.61321203573146 0.57709468096688 15.999 > 37 40 O 0.68250386844418 0.61321203573146 0.57709468096688 15.999 > 37 41 O 0.18250386844418 0.94654536906480 0.57709468096688 15.999 > 37 42 O 0.68250386844418 0.94654536906480 0.57709468096688 15.999 > 37 43 O 0.31749613155582 0.11321203573146 0.92290531903312 15.999 > 43 44 O 0.81749613155582 0.11321203573146 0.92290531903312 15.999 > 43 45 O 0.31749613155582 0.44654536906480 0.92290531903312 15.999 > 43 46 O 0.81749613155582 0.44654536906480 0.92290531903312 15.999 > 43 47 O 0.31749613155582 0.77987870239813 0.92290531903312 15.999 > 43 48 O 0.81749613155582 0.77987870239813 0.92290531903312 15.999 > 43 49 O 0.21752748070926 0.24785945400696 0.78123204690788 15.999 > 49 50 O 0.71752748070926 0.24785945400696 0.78123204690788 15.999 > 49 51 O 0.21752748070926 0.58119278734030 0.78123204690788 15.999 > 49 52 O 0.71752748070926 0.58119278734030 0.78123204690788 15.999 > 49 53 O 0.21752748070926 0.91452612067363 0.78123204690788 15.999 > 49 54 O 0.71752748070926 0.91452612067363 0.78123204690788 15.999 > 49 55 O 0.28247251929074 0.08119278734030 0.71876795309212 15.999 > 55 56 O 0.78247251929074 0.08119278734030 0.71876795309212 15.999 > 55 57 O 0.28247251929074 0.41452612067363 0.71876795309212 15.999 > 55 58 O 0.78247251929074 0.41452612067363 0.71876795309212 15.999 > 55 59 O 0.28247251929074 0.74785945400696 0.71876795309212 15.999 > 55 60 O 0.78247251929074 0.74785945400696 0.71876795309212 15.999 > 55 61 O 0.28247251929074 0.08547387932637 0.21876795309212 15.999 > 61 62 O 0.78247251929074 0.08547387932637 0.21876795309212 15.999 > 61 63 O 0.28247251929074 0.41880721265970 0.21876795309212 15.999 > 61 64 O 0.78247251929074 0.41880721265970 0.21876795309212 15.999 > 61 65 O 0.28247251929074 0.75214054599304 0.21876795309212 15.999 > 61 66 O 0.78247251929074 0.75214054599304 0.21876795309212 15.999 > 61 67 O 0.21752748070926 0.25214054599304 0.28123204690788 15.999 > 67 68 O 0.71752748070926 0.25214054599304 0.28123204690788 15.999 > 67 69 O 0.21752748070926 0.58547387932637 0.28123204690788 15.999 > 67 70 O 0.71752748070926 0.58547387932637 0.28123204690788 15.999 > 67 71 O 0.21752748070926 0.91880721265970 0.28123204690788 15.999 > 67 72 O 0.71752748070926 0.91880721265970 0.28123204690788 15.999 > 67 73 P 0.31983888948253 0.00284807062773 0.32142322335283 30.974 > 73 74 P 0.81983888948253 0.00284807062773 0.32142322335283 30.974 > 73 75 P 0.31983888948253 0.33618140396107 0.32142322335283 30.974 > 73 76 P 0.81983888948253 0.33618140396107 0.32142322335283 30.974 > 73 77 P 0.31983888948253 0.66951473729440 0.32142322335283 30.974 > 73 78 P 0.81983888948253 0.66951473729440 0.32142322335283 30.974 > 73 79 P 0.18016111051747 0.16951473729440 0.17857677664717 30.974 > 79 80 P 0.68016111051747 0.16951473729440 0.17857677664717 30.974 > 79 81 P 0.18016111051747 0.50284807062773 0.17857677664717 30.974 > 79 82 P 0.68016111051747 0.50284807062773 0.17857677664717 30.974 > 79 83 P 0.18016111051747 0.83618140396107 0.17857677664717 30.974 > 79 84 P 0.68016111051747 0.83618140396107 0.17857677664717 30.974 > 79 85 P 0.18016111051747 0.33048526270560 0.67857677664717 30.974 > 85 86 P 0.68016111051747 0.33048526270560 0.67857677664717 30.974 > 85 87 P 0.18016111051747 0.66381859603893 0.67857677664717 30.974 > 85 88 P 0.68016111051747 0.66381859603893 0.67857677664717 30.974 > 85 89 P 0.18016111051747 0.99715192937227 0.67857677664717 30.974 > 85 90 P 0.68016111051747 0.99715192937227 0.67857677664717 30.974 > 85 91 P 0.31983888948253 0.16381859603893 0.82142322335283 30.974 > 91 92 P 0.81983888948253 0.16381859603893 0.82142322335283 30.974 > 91 93 P 0.31983888948253 0.49715192937227 0.82142322335283 30.974 > 91 94 P 0.81983888948253 0.49715192937227 0.82142322335283 30.974 > 91 95 P 0.31983888948253 0.83048526270560 0.82142322335283 30.974 > 91 96 P 0.81983888948253 0.83048526270560 0.82142322335283 30.974 > 91 97 Rb 0.09318143639129 0.12019034732205 0.40765865907992 85.468 > 97 98 Rb 0.59318143639129 0.12019034732205 0.40765865907992 85.468 > 97 99 Rb 0.09318143639129 0.45352368065538 0.40765865907992 85.468 > 97 100 Rb 0.59318143639129 0.45352368065538 0.40765865907992 85.468 > 97 101 Rb 0.09318143639129 0.78685701398872 0.40765865907992 85.468 > 97 102 Rb 0.59318143639129 0.78685701398872 0.40765865907992 85.468 > 97 103 Rb 0.40681856360871 0.28685701398872 0.09234134092008 85.468 > 103 104 Rb 0.90681856360871 0.28685701398872 0.09234134092008 85.468 > 103 105 Rb 0.40681856360871 0.62019034732205 0.09234134092008 85.468 > 103 106 Rb 0.90681856360871 0.62019034732205 0.09234134092008 85.468 > 103 107 Rb 0.40681856360871 0.95352368065538 0.09234134092008 85.468 > 103 108 Rb 0.90681856360871 0.95352368065538 0.09234134092008 85.468 > 103 109 Rb 0.40681856360871 0.21314298601128 0.59234134092008 85.468 > 109 110 Rb 0.90681856360871 0.21314298601128 0.59234134092008 85.468 > 109 111 Rb 0.40681856360871 0.54647631934462 0.59234134092008 85.468 > 109 112 Rb 0.90681856360871 0.54647631934462 0.59234134092008 85.468 > 109 113 Rb 0.40681856360871 0.87980965267795 0.59234134092008 85.468 > 109 114 Rb 0.90681856360871 0.87980965267795 0.59234134092008 85.468 > 109 115 Rb 0.09318143639129 0.04647631934462 0.90765865907992 85.468 > 115 116 Rb 0.59318143639129 0.04647631934462 0.90765865907992 85.468 > 115 117 Rb 0.09318143639129 0.37980965267795 0.90765865907992 85.468 > 115 118 Rb 0.59318143639129 0.37980965267795 0.90765865907992 85.468 > 115 119 Rb 0.09318143639129 0.71314298601128 0.90765865907992 85.468 > 115 120 Rb 0.59318143639129 0.71314298601128 0.90765865907992 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3863888 0.0000000 0.0215099 0.0000000 2.4554128 0.0000000 0.0215098 0.0000000 2.4163189 -------------------------- Born effective charges -------------------------- 1 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 2 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 3 O -1.7363427 0.3294716 -0.0248251 0.1898391 -1.2760159 -0.0002318 -0.1717638 -0.0023250 -1.1031568 4 O -1.7363427 -0.3294716 -0.0248251 -0.1898391 -1.2760159 0.0002318 -0.1717638 0.0023250 -1.1031568 5 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 6 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 7 O -1.1241620 0.1778113 0.1090921 0.1445694 -1.2946952 -0.1917157 0.2592558 -0.3214941 -1.6794791 8 O -1.1241620 -0.1778113 0.1090921 -0.1445694 -1.2946952 0.1917157 0.2592558 0.3214941 -1.6794791 9 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 10 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 11 O -1.2188217 0.4798011 -0.3187358 0.6581799 -2.2070457 1.0051642 -0.3151558 0.7184004 -1.5343874 12 O -1.2188217 -0.4798011 -0.3187358 -0.6581799 -2.2070457 -1.0051642 -0.3151558 -0.7184004 -1.5343874 13 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 14 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 15 P 2.7785615 -0.3009201 0.2401433 0.3840098 3.5579463 -0.2121733 0.2320917 0.2148766 3.0142965 16 P 2.7785615 0.3009201 0.2401433 -0.3840098 3.5579463 0.2121733 0.2320917 -0.2148766 3.0142965 17 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 18 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 19 Rb 1.3007649 -0.0245508 -0.0056745 -0.0302856 1.2198105 -0.0454685 -0.0044278 0.0098065 1.3027269 20 Rb 1.3007649 0.0245508 -0.0056745 0.0302856 1.2198105 0.0454685 -0.0044278 -0.0098065 1.3027269 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 8 12 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 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 1.351 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.591 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 15.321 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.879 ( 0.000 0.000 0.000) 0.000 16.156 ( 0.000 0.000 0.000) 0.000 16.190 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.500 ( 0.000 0.000 0.000) 0.000 22.895 ( 0.000 0.000 0.000) 0.000 22.993 ( 0.000 0.000 0.000) 0.000 24.985 ( 0.000 0.000 0.000) 0.000 24.992 ( 0.000 0.000 0.000) 0.000 28.535 ( 0.000 0.000 0.000) 0.000 28.858 ( 0.000 0.000 0.000) 0.000 30.986 ( 0.000 0.000 0.000) 0.000 32.096 ( 0.000 0.000 0.000) 0.000 32.901 ( 0.000 0.000 0.000) 0.000 32.911 ( 0.000 0.000 0.000) 0.000 36.304 ( 0.000 0.000 0.000) 0.000 36.667 ( 0.000 0.000 0.000) 0.000 36.683 ( 0.000 0.000 0.000) 0.000 36.894 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 24.175 0.000 -7.184) 25.220 0.531 ( 17.842 0.000 21.491) 27.932 0.808 ( 33.648 0.000 17.144) 37.764 1.460 ( 10.856 0.000 -2.094) 11.056 1.558 ( -7.432 0.000 -19.497) 20.866 1.722 ( -13.110 0.000 -1.845) 13.239 1.760 ( -0.290 0.000 1.079) 1.118 1.932 ( -0.623 0.000 0.201) 0.655 2.199 ( 5.509 0.000 11.000) 12.303 2.311 ( 7.616 0.000 1.098) 7.694 2.359 ( -4.715 0.000 1.740) 5.026 2.417 ( -0.907 0.000 -0.122) 0.916 2.452 ( -1.700 0.000 -3.294) 3.706 2.663 ( -1.907 0.000 -10.384) 10.558 2.808 ( -1.723 0.000 -13.147) 13.259 2.907 ( -1.298 0.000 -2.434) 2.759 3.129 ( -3.138 0.000 10.988) 11.427 3.177 ( 0.707 0.000 4.607) 4.661 3.307 ( 0.109 0.000 7.260) 7.261 4.069 ( -7.505 0.000 -5.515) 9.314 4.212 ( -1.534 0.000 4.243) 4.512 4.469 ( -0.119 0.000 -9.684) 9.685 5.014 ( 1.863 0.000 2.045) 2.766 5.116 ( -0.725 0.000 -1.386) 1.564 6.380 ( 1.151 0.000 0.287) 1.186 6.432 ( 0.594 0.000 -0.381) 0.706 7.597 ( 0.303 0.000 0.818) 0.872 7.735 ( 0.238 0.000 -0.503) 0.556 9.410 ( 3.006 0.000 1.478) 3.349 9.437 ( -0.408 0.000 -1.140) 1.211 9.537 ( 1.081 0.000 -3.343) 3.513 9.565 ( 0.153 0.000 0.572) 0.592 11.992 ( 0.399 0.000 -0.753) 0.852 12.002 ( -0.073 0.000 0.527) 0.532 12.540 ( -2.689 0.000 8.432) 8.850 12.566 ( -1.783 0.000 -1.915) 2.616 13.507 ( 0.402 0.000 -0.057) 0.406 13.526 ( -0.615 0.000 -0.029) 0.616 15.318 ( -0.291 0.000 -0.020) 0.291 15.331 ( -0.241 0.000 -0.024) 0.243 15.833 ( -3.354 0.000 -3.474) 4.829 15.876 ( -10.547 0.000 24.879) 27.022 16.156 ( 0.185 0.000 -0.856) 0.876 16.171 ( -1.573 0.000 -0.031) 1.573 18.483 ( 1.396 0.000 0.383) 1.447 18.496 ( -0.403 0.000 -0.129) 0.423 22.991 ( 5.738 0.000 -13.610) 14.770 23.027 ( 2.186 0.000 2.434) 3.272 24.986 ( 0.080 0.000 -0.030) 0.085 24.991 ( -0.109 0.000 0.012) 0.110 28.828 ( -2.165 0.000 -2.099) 3.016 28.865 ( -5.635 0.000 12.491) 13.703 31.907 ( -11.977 0.000 -12.200) 17.097 32.159 ( -37.413 0.000 82.016) 90.147 32.906 ( 0.353 0.000 0.237) 0.425 32.944 ( 2.708 0.000 -0.586) 2.770 36.347 ( 1.977 0.000 5.367) 5.720 36.428 ( -11.964 0.000 -4.437) 12.760 37.180 ( 24.437 0.000 -63.243) 67.800 37.242 ( 17.464 0.000 12.705) 21.596 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 22.152 0.000 -5.476) 22.818 1.032 ( 16.582 0.000 19.164) 25.342 1.237 ( -6.950 0.000 -18.729) 19.977 1.436 ( -5.132 0.000 -11.658) 12.738 1.560 ( 28.614 0.000 13.796) 31.767 1.727 ( 9.468 0.000 5.681) 11.041 1.779 ( 1.808 0.000 0.814) 1.982 1.922 ( -0.831 0.000 1.332) 1.570 2.220 ( -9.205 0.000 3.677) 9.912 2.299 ( -4.588 0.000 -8.893) 10.006 2.300 ( -2.684 0.000 -0.801) 2.801 2.381 ( -8.349 0.000 -2.099) 8.609 2.469 ( 4.713 0.000 5.130) 6.966 2.577 ( 3.393 0.000 -7.626) 8.346 2.708 ( 4.720 0.000 -12.095) 12.983 2.876 ( 0.162 0.000 -0.860) 0.876 3.133 ( -1.454 0.000 3.537) 3.824 3.235 ( 1.121 0.000 4.167) 4.315 3.360 ( -5.347 0.000 14.010) 14.996 3.806 ( -14.593 0.000 -5.668) 15.655 4.222 ( -1.549 0.000 5.413) 5.630 4.360 ( -3.681 0.000 -6.846) 7.772 5.072 ( 1.973 0.000 2.341) 3.061 5.076 ( -1.636 0.000 -2.446) 2.943 6.411 ( 1.562 0.000 0.369) 1.604 6.444 ( 0.953 0.000 -0.469) 1.062 7.613 ( 0.637 0.000 0.785) 1.011 7.734 ( 0.148 0.000 -0.749) 0.763 9.414 ( -0.572 0.000 -1.646) 1.743 9.515 ( 5.287 0.000 3.487) 6.334 9.528 ( 0.142 0.000 -1.521) 1.528 9.574 ( 0.216 0.000 0.883) 0.909 11.993 ( 0.537 0.000 -0.997) 1.132 12.000 ( -0.523 0.000 0.068) 0.528 12.493 ( -3.047 0.000 -3.868) 4.923 12.564 ( -0.365 0.000 3.948) 3.965 13.510 ( -0.754 0.000 -0.282) 0.805 13.517 ( 0.570 0.000 -0.072) 0.575 15.315 ( 0.088 0.000 0.232) 0.248 15.325 ( -0.322 0.000 -0.033) 0.324 15.701 ( -5.396 0.000 -6.425) 8.390 15.881 ( -4.247 0.000 10.431) 11.262 16.146 ( -0.964 0.000 0.312) 1.013 16.151 ( -0.023 0.000 -0.606) 0.606 18.484 ( -0.572 0.000 -0.216) 0.611 18.530 ( 2.544 0.000 1.407) 2.907 22.987 ( 2.333 0.000 -5.903) 6.347 23.097 ( 1.986 0.000 3.447) 3.978 24.987 ( 0.112 0.000 -0.042) 0.120 24.988 ( -0.179 0.000 -0.048) 0.185 28.747 ( -3.113 0.000 -4.091) 5.141 28.859 ( -2.567 0.000 5.171) 5.773 31.546 ( -11.197 0.000 -15.593) 19.197 32.113 ( -17.578 0.000 34.416) 38.645 32.917 ( 0.477 0.000 0.338) 0.585 32.979 ( 1.550 0.000 -1.112) 1.907 36.221 ( -6.771 0.000 -2.622) 7.261 36.461 ( 2.972 0.000 10.245) 10.668 37.098 ( 9.122 0.000 -33.816) 35.025 37.655 ( 12.853 0.000 13.822) 18.875 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -3.892 0.000 -12.212) 12.817 1.149 ( 16.305 0.000 -3.615) 16.701 1.337 ( 2.859 0.000 -4.184) 5.068 1.473 ( 13.102 0.000 14.979) 19.901 1.789 ( 2.375 0.000 -1.613) 2.871 1.859 ( 0.715 0.000 -2.362) 2.468 1.950 ( 1.758 0.000 1.961) 2.634 2.018 ( -8.564 0.000 12.476) 15.132 2.045 ( -9.495 0.000 -5.973) 11.218 2.097 ( 0.216 0.000 -6.837) 6.840 2.190 ( -8.024 0.000 -7.319) 10.861 2.328 ( 15.692 0.000 4.511) 16.328 2.562 ( 0.266 0.000 -2.958) 2.970 2.621 ( 6.499 0.000 6.724) 9.352 2.823 ( 14.973 0.000 -9.942) 17.973 2.897 ( 1.439 0.000 0.777) 1.636 3.143 ( 0.143 0.000 0.669) 0.684 3.279 ( 0.728 0.000 1.676) 1.827 3.302 ( -12.522 0.000 13.568) 18.464 3.430 ( -18.989 0.000 -6.705) 20.138 4.237 ( -3.662 0.000 -4.085) 5.486 4.244 ( -0.288 0.000 3.732) 3.743 5.023 ( -1.542 0.000 -2.174) 2.665 5.119 ( 1.100 0.000 1.442) 1.814 6.440 ( 1.050 0.000 0.232) 1.075 6.458 ( 0.763 0.000 -0.278) 0.812 7.631 ( 0.499 0.000 0.523) 0.723 7.728 ( -0.056 0.000 -0.576) 0.579 9.392 ( -0.402 0.000 -1.190) 1.256 9.520 ( -0.065 0.000 -0.691) 0.694 9.575 ( 0.100 0.000 0.402) 0.415 9.654 ( 4.324 0.000 3.862) 5.797 11.987 ( -0.407 0.000 -0.492) 0.638 11.995 ( 0.364 0.000 -0.657) 0.751 12.404 ( -2.453 0.000 -3.578) 4.338 12.587 ( 0.147 0.000 1.832) 1.838 13.496 ( -0.390 0.000 -0.321) 0.505 13.526 ( 0.404 0.000 -0.045) 0.407 15.319 ( -0.215 0.000 -0.021) 0.216 15.329 ( 0.906 0.000 0.964) 1.323 15.552 ( -4.188 0.000 -5.727) 7.095 15.886 ( -1.737 0.000 4.346) 4.681 16.138 ( -0.229 0.000 0.358) 0.425 16.146 ( -0.059 0.000 -0.342) 0.347 18.473 ( -0.404 0.000 -0.176) 0.441 18.589 ( 1.944 0.000 1.461) 2.432 22.983 ( 0.946 0.000 -2.555) 2.725 23.148 ( 0.687 0.000 2.304) 2.404 24.984 ( -0.120 0.000 -0.075) 0.141 24.989 ( 0.079 0.000 -0.029) 0.084 28.661 ( -2.006 0.000 -3.582) 4.106 28.853 ( -1.168 0.000 2.148) 2.445 31.277 ( -5.262 0.000 -9.785) 11.111 32.066 ( -8.130 0.000 14.427) 16.560 32.927 ( 0.324 0.000 0.242) 0.405 32.989 ( 0.464 0.000 -0.770) 0.899 36.115 ( -2.795 0.000 -1.333) 3.097 36.618 ( 2.487 0.000 13.995) 14.214 36.974 ( 2.987 0.000 -23.600) 23.788 37.934 ( 6.038 0.000 8.800) 10.673 ======================= Grid point 4 (5/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 -0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.915 ( -0.000 0.000 -0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 -0.000) 0.000 2.945 ( -0.000 0.000 -0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 -0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 -0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 -0.000) 0.000 12.362 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 -0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.477 ( 0.000 0.000 0.000) 0.000 15.887 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 18.468 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 22.982 ( 0.000 0.000 0.000) 0.000 23.163 ( 0.000 0.000 0.000) 0.000 24.983 ( 0.000 0.000 0.000) 0.000 24.989 ( 0.000 0.000 0.000) 0.000 28.625 ( 0.000 0.000 0.000) 0.000 28.851 ( 0.000 0.000 0.000) 0.000 31.186 ( 0.000 0.000 0.000) 0.000 32.047 ( 0.000 0.000 0.000) 0.000 32.932 ( 0.000 0.000 0.000) 0.000 32.989 ( 0.000 0.000 0.000) 0.000 36.084 ( 0.000 0.000 0.000) 0.000 36.744 ( 0.000 0.000 -0.000) 0.000 36.862 ( 0.000 0.000 0.000) 0.000 38.029 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/126) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 0.000 16.585 0.000) 16.585 0.529 ( 0.000 26.885 0.000) 26.885 0.803 ( 0.000 39.006 0.000) 39.006 1.362 ( 0.000 1.481 0.000) 1.481 1.755 ( 0.000 2.795 0.000) 2.795 1.760 ( 0.000 -4.067 0.000) 4.067 1.888 ( 0.000 -3.868 0.000) 3.868 1.999 ( 0.000 5.831 0.000) 5.831 2.221 ( 0.000 5.316 0.000) 5.316 2.260 ( 0.000 18.028 0.000) 18.028 2.382 ( 0.000 -2.717 0.000) 2.717 2.445 ( 0.000 4.814 0.000) 4.814 2.591 ( 0.000 2.315 0.000) 2.315 2.905 ( 0.000 -0.454 0.000) 0.454 2.952 ( 0.000 2.000 0.000) 2.000 3.014 ( 0.000 -3.486 0.000) 3.486 3.046 ( 0.000 -2.769 0.000) 2.769 3.142 ( 0.000 -0.705 0.000) 0.705 3.268 ( 0.000 -1.135 0.000) 1.135 3.342 ( 0.000 9.962 0.000) 9.962 4.196 ( 0.000 -0.924 0.000) 0.924 4.514 ( 0.000 2.116 0.000) 2.116 4.974 ( 0.000 -1.007 0.000) 1.007 5.280 ( 0.000 -1.839 0.000) 1.839 6.369 ( 0.000 1.295 0.000) 1.295 6.466 ( 0.000 3.974 0.000) 3.974 7.606 ( 0.000 2.828 0.000) 2.828 7.776 ( 0.000 4.115 0.000) 4.115 9.345 ( 0.000 -3.059 0.000) 3.059 9.428 ( 0.000 -1.849 0.000) 1.849 9.557 ( 0.000 3.962 0.000) 3.962 9.618 ( 0.000 5.940 0.000) 5.940 11.902 ( 0.000 -8.714 0.000) 8.714 11.918 ( 0.000 -8.127 0.000) 8.127 12.334 ( 0.000 -1.825 0.000) 1.825 12.547 ( 0.000 -4.589 0.000) 4.589 13.695 ( 0.000 17.208 0.000) 17.208 15.102 ( 0.000 -26.348 0.000) 26.348 15.376 ( 0.000 4.505 0.000) 4.505 15.404 ( 0.000 7.802 0.000) 7.802 15.426 ( 0.000 -30.837 0.000) 30.837 15.704 ( 0.000 -4.880 0.000) 4.880 16.363 ( 0.000 16.445 0.000) 16.445 16.541 ( 0.000 18.919 0.000) 18.919 18.525 ( 0.000 6.139 0.000) 6.139 18.616 ( 0.000 11.176 0.000) 11.176 22.832 ( 0.000 -6.541 0.000) 6.541 22.914 ( 0.000 -7.954 0.000) 7.954 25.185 ( 0.000 19.327 0.000) 19.327 27.297 ( 0.000 1.302 0.000) 1.302 28.510 ( 0.000 -2.579 0.000) 2.579 28.832 ( 0.000 -2.676 0.000) 2.676 31.006 ( 0.000 2.097 0.000) 2.097 32.002 ( 0.000 -8.844 0.000) 8.844 32.859 ( 0.000 -4.235 0.000) 4.235 32.875 ( 0.000 -3.636 0.000) 3.636 36.321 ( 0.000 1.629 0.000) 1.629 36.654 ( 0.000 -1.215 0.000) 1.215 36.887 ( 0.000 -0.780 0.000) 0.780 37.104 ( 0.000 -3.266 0.000) 3.266 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 9.333 14.718 -0.070) 17.428 0.569 ( 23.910 7.219 -5.744) 25.628 1.224 ( 19.458 27.850 19.808) 39.327 1.456 ( 8.321 0.382 -6.035) 10.287 1.586 ( -5.413 1.066 -5.602) 7.862 1.783 ( 0.190 2.794 1.321) 3.097 1.839 ( -9.291 9.798 -7.443) 15.419 1.929 ( 0.786 0.047 -1.164) 1.406 2.239 ( 2.707 0.514 6.170) 6.758 2.326 ( -4.524 -1.747 2.308) 5.370 2.410 ( -1.218 10.637 2.289) 10.948 2.457 ( 5.424 5.048 1.411) 7.543 2.524 ( -3.412 4.189 -4.002) 6.724 2.759 ( -2.232 3.390 -16.964) 17.443 2.881 ( -3.999 5.981 0.855) 7.245 2.982 ( -0.204 8.700 -4.346) 9.727 3.105 ( -2.843 -1.055 10.336) 10.771 3.160 ( 0.118 -1.793 6.321) 6.571 3.276 ( 0.132 -2.396 3.926) 4.601 3.630 ( 9.918 -21.363 -0.580) 23.560 4.211 ( -0.717 -0.353 4.550) 4.620 4.472 ( -2.146 1.655 -4.430) 5.193 4.999 ( 1.378 -1.067 2.215) 2.819 5.186 ( -4.779 1.286 -4.038) 6.387 6.385 ( 1.327 1.584 0.298) 2.088 6.454 ( -0.007 3.277 -1.124) 3.464 7.623 ( 0.906 2.918 1.197) 3.282 7.778 ( 0.477 3.998 -1.193) 4.199 9.367 ( 1.728 -3.673 1.440) 4.307 9.417 ( -0.398 -1.997 -1.397) 2.469 9.563 ( 0.572 4.433 0.004) 4.470 9.652 ( 1.507 5.710 0.876) 5.970 11.898 ( -0.081 -8.747 -0.179) 8.750 11.918 ( -0.066 -8.265 0.260) 8.269 12.403 ( 2.908 -5.249 5.181) 7.928 12.524 ( -1.465 -4.470 -2.037) 5.126 13.705 ( 0.016 18.353 2.329) 18.500 14.460 ( -31.781 37.313 -25.655) 55.322 15.362 ( -2.807 -13.082 -1.912) 13.516 15.372 ( -2.860 -19.865 6.404) 21.066 15.426 ( -1.046 -2.210 0.457) 2.487 15.459 ( -3.988 -4.746 2.243) 6.593 16.420 ( -1.216 16.809 4.362) 17.408 16.566 ( -0.653 18.223 1.103) 18.268 18.530 ( 0.675 5.479 0.058) 5.521 18.576 ( -2.306 9.396 1.053) 9.732 22.858 ( 3.141 -8.864 -3.385) 9.995 22.968 ( 3.275 -8.179 1.325) 8.909 25.184 ( -0.643 19.364 1.343) 19.422 25.911 ( -41.402 56.665 -26.416) 74.986 28.768 ( -0.947 -7.659 10.535) 13.059 28.807 ( -1.873 -3.085 0.089) 3.611 31.637 ( -1.008 -24.102 37.814) 44.854 31.908 ( -5.696 -9.755 4.739) 12.250 32.867 ( 0.537 -3.792 -0.342) 3.845 32.899 ( 2.398 -4.556 -0.293) 5.157 36.355 ( 1.177 1.168 4.863) 5.138 36.498 ( -15.345 4.714 -2.121) 16.192 36.859 ( 18.921 -12.833 -18.828) 29.617 37.379 ( 15.235 -0.734 -4.888) 16.017 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 18.202 1.028 2.826) 18.448 1.033 ( 23.611 0.356 3.514) 23.874 1.345 ( -1.886 6.817 -13.147) 14.929 1.563 ( -8.857 13.166 -10.252) 18.892 1.661 ( 10.801 -1.252 6.275) 12.554 1.787 ( 9.942 12.200 5.820) 16.779 1.829 ( 8.717 6.442 8.968) 14.068 1.953 ( 1.759 3.033 -0.482) 3.539 2.151 ( -10.379 -4.746 1.995) 11.586 2.330 ( -3.449 1.696 -2.763) 4.734 2.391 ( -7.028 1.450 -1.279) 7.289 2.407 ( -2.675 7.642 -2.976) 8.627 2.494 ( 3.678 2.743 0.029) 4.588 2.694 ( 6.479 8.109 -7.664) 12.902 2.806 ( -2.094 11.657 -4.240) 12.579 2.949 ( 1.133 8.217 -3.334) 8.940 3.110 ( -2.262 -1.987 4.420) 5.348 3.220 ( 0.716 -1.792 5.013) 5.372 3.310 ( -4.144 -3.871 10.775) 12.177 3.610 ( -7.691 -16.287 -3.897) 18.429 4.231 ( -1.265 1.143 4.565) 4.873 4.374 ( -3.593 1.597 -4.806) 6.210 5.044 ( 0.798 -1.593 1.479) 2.315 5.090 ( -1.943 -0.096 -2.306) 3.017 6.416 ( 1.451 1.916 -0.065) 2.405 6.459 ( 1.234 2.118 -0.372) 2.479 7.653 ( 1.002 3.870 1.451) 4.253 7.771 ( 0.005 3.613 -1.371) 3.865 9.389 ( -0.461 -2.531 -2.067) 3.301 9.441 ( 3.302 -4.590 3.015) 6.408 9.577 ( 0.978 4.087 -0.160) 4.205 9.669 ( -0.178 6.862 0.666) 6.897 11.899 ( 0.326 -8.909 -0.438) 8.926 11.916 ( -0.267 -8.324 -0.105) 8.329 12.449 ( -1.983 -4.247 -2.716) 5.418 12.499 ( 1.221 -5.027 3.152) 6.058 13.727 ( -0.357 20.886 2.644) 21.055 13.939 ( -10.986 30.028 -8.212) 33.012 15.272 ( -3.619 -22.826 -3.927) 23.442 15.382 ( -1.185 -27.223 4.704) 27.652 15.410 ( -0.460 7.923 -0.122) 7.937 15.444 ( -0.398 -1.008 0.347) 1.138 16.411 ( -1.194 17.672 -0.268) 17.715 16.542 ( -2.266 19.836 1.818) 20.047 18.539 ( -0.655 5.763 0.459) 5.818 18.572 ( 1.344 5.447 0.818) 5.670 22.884 ( 2.322 -9.138 -3.191) 9.954 23.029 ( 1.579 -7.956 2.123) 8.384 25.181 ( -1.057 19.195 1.743) 19.302 25.370 ( -10.643 33.079 -6.216) 35.300 28.720 ( -2.963 -2.898 -3.944) 5.722 28.815 ( -1.741 -4.349 5.252) 7.037 31.498 ( -9.052 -4.326 -11.995) 15.638 31.970 ( -9.362 -12.164 27.438) 31.440 32.876 ( 0.566 -4.068 -0.201) 4.113 32.934 ( 1.473 -4.563 -0.727) 4.850 36.249 ( -7.581 2.614 -2.199) 8.315 36.469 ( 2.539 0.779 9.622) 9.982 36.972 ( 11.043 -9.870 -24.244) 28.411 37.636 ( 9.903 -3.520 8.563) 13.556 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 15.274 -1.203 -0.543) 15.331 1.234 ( -1.197 19.662 -7.247) 20.989 1.408 ( 0.932 6.660 -4.359) 8.015 1.488 ( 15.939 -0.133 8.964) 18.287 1.808 ( 3.489 2.419 -2.972) 5.182 1.876 ( 1.464 -1.009 -0.798) 1.949 1.939 ( -3.747 -1.814 4.176) 5.896 1.975 ( -2.749 0.007 -2.050) 3.429 2.096 ( -4.388 2.760 -1.859) 5.507 2.145 ( -9.611 6.832 3.909) 12.423 2.294 ( -3.800 6.864 -7.159) 10.621 2.383 ( 12.112 4.670 3.133) 13.354 2.657 ( 7.805 0.979 3.516) 8.617 2.708 ( -1.111 14.236 -2.011) 14.421 2.815 ( 7.953 5.196 -4.168) 10.374 2.979 ( 3.898 5.508 -2.419) 7.168 3.101 ( -0.763 -3.841 0.361) 3.933 3.254 ( -5.362 -3.105 8.255) 10.321 3.275 ( -4.549 -1.174 5.859) 7.510 3.344 ( -14.451 -7.455 -5.519) 17.172 4.216 ( -2.428 0.272 -1.479) 2.856 4.300 ( -1.296 3.572 1.393) 4.047 5.014 ( -1.459 -0.835 -2.026) 2.633 5.098 ( 0.824 -1.986 1.211) 2.468 6.433 ( 0.695 1.097 -0.450) 1.374 6.488 ( 1.373 2.876 0.275) 3.198 7.680 ( 0.592 4.645 0.987) 4.785 7.759 ( -0.159 3.112 -0.864) 3.234 9.364 ( -0.389 -2.798 -1.485) 3.191 9.521 ( 1.886 -0.880 1.904) 2.820 9.606 ( 1.976 -0.781 0.833) 2.282 9.664 ( -0.709 5.866 0.463) 5.927 11.897 ( -0.117 -8.749 -0.498) 8.764 11.912 ( 0.164 -8.186 -0.335) 8.194 12.378 ( -1.924 -2.725 -3.114) 4.564 12.543 ( 0.716 -4.388 2.026) 4.886 13.707 ( -2.029 19.809 -1.473) 19.967 13.808 ( -1.456 23.616 0.867) 23.677 15.178 ( -2.376 -25.846 -3.474) 26.187 15.396 ( -0.573 -6.435 1.925) 6.741 15.408 ( 0.389 -12.912 0.136) 12.919 15.439 ( -0.355 3.430 0.321) 3.463 16.382 ( -0.838 17.213 -1.172) 17.273 16.523 ( -1.153 20.071 1.398) 20.153 18.527 ( -0.572 5.870 0.114) 5.899 18.613 ( 1.579 3.328 0.907) 3.794 22.895 ( 1.063 -8.681 -1.911) 8.952 23.065 ( 0.465 -8.619 1.678) 8.793 25.174 ( -0.814 18.667 0.996) 18.712 25.222 ( -3.173 21.964 -1.616) 22.250 28.637 ( -1.928 -2.552 -3.492) 4.736 28.820 ( -0.911 -3.399 2.273) 4.189 31.273 ( -4.457 -0.155 -8.691) 9.768 31.984 ( -5.846 -7.709 12.904) 16.128 32.884 ( 0.357 -4.333 -0.045) 4.348 32.946 ( 0.429 -4.361 -0.558) 4.418 36.136 ( -3.041 2.064 -1.228) 3.875 36.614 ( 2.116 -0.445 13.321) 13.495 36.918 ( 3.953 -5.063 -20.901) 21.866 37.855 ( 5.147 -7.826 7.197) 11.813 ======================= Grid point 13 (10/126) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 23.685 0.000) 23.685 1.293 ( 0.000 -1.294 0.000) 1.294 1.433 ( 0.000 3.123 -0.000) 3.123 1.684 ( 0.000 2.529 0.000) 2.529 1.822 ( 0.000 -0.675 0.000) 0.675 1.842 ( 0.000 -2.115 -0.000) 2.115 1.911 ( 0.000 3.181 0.000) 3.181 1.979 ( 0.000 4.366 0.000) 4.366 1.986 ( 0.000 -2.650 0.000) 2.650 2.119 ( 0.000 6.262 0.000) 6.262 2.160 ( 0.000 11.619 -0.000) 11.619 2.548 ( 0.000 -0.012 0.000) 0.012 2.687 ( 0.000 13.587 0.000) 13.587 2.832 ( 0.000 -5.280 -0.000) 5.280 2.938 ( 0.000 -1.183 0.000) 1.183 3.026 ( -0.000 -3.439 0.000) 3.439 3.046 ( 0.000 6.068 0.000) 6.068 3.115 ( 0.000 5.732 -0.000) 5.732 3.162 ( 0.000 -3.780 0.000) 3.780 3.279 ( 0.000 -1.688 0.000) 1.688 4.174 ( 0.000 0.219 0.000) 0.219 4.304 ( 0.000 3.819 0.000) 3.819 4.989 ( 0.000 -0.639 0.000) 0.639 5.111 ( 0.000 -2.290 0.000) 2.290 6.438 ( 0.000 0.663 0.000) 0.663 6.503 ( 0.000 3.406 0.000) 3.406 7.690 ( 0.000 4.823 0.000) 4.823 7.754 ( 0.000 2.996 0.000) 2.996 9.353 ( 0.000 -2.937 0.000) 2.937 9.542 ( 0.000 3.082 0.000) 3.082 9.644 ( 0.000 -6.905 0.000) 6.905 9.652 ( -0.000 6.869 0.000) 6.869 11.893 ( 0.000 -8.634 0.000) 8.634 11.913 ( 0.000 -8.157 0.000) 8.157 12.344 ( 0.000 -2.065 0.000) 2.065 12.558 ( 0.000 -4.076 0.000) 4.076 13.677 ( 0.000 17.178 -0.000) 17.178 13.806 ( 0.000 24.374 0.000) 24.374 15.139 ( 0.000 -26.814 0.000) 26.814 15.396 ( 0.000 7.860 -0.000) 7.860 15.416 ( 0.000 -30.504 -0.000) 30.504 15.436 ( 0.000 8.299 0.000) 8.299 16.368 ( 0.000 16.857 0.000) 16.857 16.518 ( 0.000 20.052 0.000) 20.052 18.522 ( 0.000 5.801 0.000) 5.801 18.634 ( 0.000 2.742 0.000) 2.742 22.897 ( 0.000 -8.497 0.000) 8.497 23.076 ( 0.000 -8.903 0.000) 8.903 25.169 ( 0.000 18.351 0.000) 18.351 25.189 ( 0.000 19.112 0.000) 19.112 28.602 ( 0.000 -2.434 0.000) 2.434 28.820 ( 0.000 -3.118 0.000) 3.118 31.194 ( 0.000 0.939 0.000) 0.939 31.979 ( 0.000 -6.465 0.000) 6.465 32.887 ( 0.000 -4.432 0.000) 4.432 32.947 ( 0.000 -4.289 0.000) 4.289 36.103 ( 0.000 1.915 0.000) 1.915 36.729 ( 0.000 -1.398 -0.000) 1.398 36.829 ( 0.000 -3.123 0.000) 3.123 37.936 ( 0.000 -9.053 -0.000) 9.053 ======================= Grid point 18 (11/126) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.000 18.188 0.000) 18.188 1.050 ( 0.000 26.014 0.000) 26.014 1.424 ( 0.000 4.734 0.000) 4.734 1.482 ( 0.000 27.408 0.000) 27.408 1.674 ( 0.000 -4.601 0.000) 4.601 1.765 ( 0.000 -1.322 0.000) 1.322 1.872 ( 0.000 3.733 0.000) 3.733 2.111 ( 0.000 5.448 0.000) 5.448 2.308 ( 0.000 -4.039 0.000) 4.039 2.336 ( 0.000 5.535 0.000) 5.535 2.435 ( 0.000 2.591 0.000) 2.591 2.607 ( 0.000 -0.625 0.000) 0.625 2.729 ( 0.000 13.694 0.000) 13.694 2.886 ( 0.000 -4.167 0.000) 4.167 2.943 ( 0.000 -0.586 0.000) 0.586 2.999 ( 0.000 1.554 0.000) 1.554 3.069 ( 0.000 10.514 0.000) 10.514 3.131 ( 0.000 -0.302 0.000) 0.302 3.241 ( 0.000 -1.235 0.000) 1.235 3.613 ( 0.000 16.102 0.000) 16.102 4.194 ( 0.000 1.014 0.000) 1.014 4.564 ( 0.000 2.750 0.000) 2.750 4.946 ( 0.000 -1.816 0.000) 1.816 5.222 ( 0.000 -4.103 0.000) 4.103 6.472 ( 0.000 10.653 0.000) 10.653 6.606 ( 0.000 11.285 0.000) 11.285 7.686 ( 0.000 5.281 0.000) 5.281 7.890 ( 0.000 7.378 0.000) 7.378 9.262 ( 0.000 -5.277 0.000) 5.277 9.373 ( 0.000 -3.714 0.000) 3.714 9.661 ( 0.000 6.546 0.000) 6.546 9.779 ( 0.000 9.804 0.000) 9.804 11.669 ( 0.000 -14.492 0.000) 14.492 11.701 ( 0.000 -13.439 0.000) 13.439 12.255 ( 0.000 -7.137 0.000) 7.137 12.397 ( 0.000 -11.332 0.000) 11.332 14.055 ( 0.000 16.588 0.000) 16.588 14.546 ( 0.000 -28.341 0.000) 28.341 14.818 ( 0.000 -29.614 0.000) 29.614 15.365 ( 0.000 -8.267 0.000) 8.267 15.619 ( 0.000 13.268 0.000) 13.268 15.700 ( 0.000 7.356 0.000) 7.356 16.658 ( 0.000 12.615 0.000) 12.615 16.837 ( 0.000 11.008 0.000) 11.008 18.731 ( 0.000 15.262 0.000) 15.262 18.914 ( 0.000 18.589 0.000) 18.589 22.631 ( 0.000 -13.934 0.000) 13.934 22.689 ( 0.000 -14.834 0.000) 14.834 25.677 ( 0.000 28.901 0.000) 28.901 27.336 ( 0.000 2.762 0.000) 2.762 28.432 ( 0.000 -5.411 0.000) 5.411 28.748 ( 0.000 -6.093 0.000) 6.093 31.072 ( 0.000 4.763 0.000) 4.763 31.799 ( 0.000 -10.392 0.000) 10.392 32.740 ( 0.000 -7.690 0.000) 7.690 32.769 ( 0.000 -7.115 0.000) 7.115 36.365 ( 0.000 2.841 0.000) 2.841 36.628 ( 0.000 -1.256 0.000) 1.256 36.861 ( 0.000 -1.872 0.000) 1.872 37.018 ( 0.000 -5.278 0.000) 5.278 ======================= Grid point 19 (12/126) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 13.510 12.984 -4.801) 19.343 0.886 ( -2.894 25.147 -9.939) 27.194 1.478 ( 2.730 1.759 5.122) 6.065 1.532 ( -0.197 1.521 -9.729) 9.849 1.796 ( 10.986 18.673 12.697) 25.112 1.847 ( 3.533 -2.911 4.227) 6.231 1.876 ( 1.900 6.609 0.149) 6.878 2.058 ( -5.276 8.245 -5.124) 11.049 2.252 ( -6.548 -3.119 1.355) 7.379 2.291 ( 0.391 3.782 2.081) 4.335 2.485 ( 0.521 0.799 -0.933) 1.334 2.586 ( -1.244 1.734 -2.677) 3.423 2.716 ( -3.042 10.180 6.227) 12.315 2.813 ( -1.890 3.281 -12.369) 12.936 2.974 ( 0.436 -0.442 9.877) 9.896 3.015 ( 2.272 -0.278 -0.364) 2.318 3.091 ( -0.094 1.974 2.201) 2.958 3.196 ( 2.573 1.926 2.445) 4.038 3.251 ( 1.760 0.868 0.731) 2.094 3.553 ( -3.765 12.496 -6.026) 14.375 4.222 ( 0.877 1.802 4.205) 4.658 4.520 ( -2.610 3.034 -3.581) 5.371 4.970 ( 1.273 -1.883 2.061) 3.068 5.165 ( -3.649 -2.797 -3.222) 5.614 6.493 ( 1.664 10.831 0.893) 10.994 6.588 ( -0.644 11.252 -2.057) 11.456 7.707 ( 1.271 5.477 1.720) 5.880 7.886 ( 0.122 6.877 -1.580) 7.058 9.276 ( 0.865 -5.509 1.687) 5.827 9.359 ( -0.772 -3.933 -1.459) 4.265 9.683 ( 0.787 7.342 1.568) 7.549 9.790 ( 1.069 8.331 0.231) 8.402 11.668 ( -0.062 -14.212 0.078) 14.212 11.698 ( -0.199 -13.655 -0.174) 13.658 12.286 ( 1.718 -8.289 2.502) 8.827 12.380 ( -0.954 -10.866 -1.645) 11.031 14.079 ( 0.487 16.271 4.430) 16.870 14.529 ( -1.603 -20.856 -2.827) 21.107 14.791 ( -2.521 -27.900 -1.234) 28.041 15.105 ( -16.520 -4.814 -10.213) 20.010 15.619 ( 0.030 13.193 0.009) 13.193 15.659 ( -1.570 12.534 -0.435) 12.639 16.697 ( 0.611 11.381 3.328) 11.874 16.842 ( 0.409 10.275 -0.354) 10.289 18.725 ( -0.340 14.832 -0.292) 14.839 18.860 ( -4.388 18.694 0.373) 19.206 22.637 ( 0.960 -14.156 -0.981) 14.222 22.727 ( 2.539 -16.020 1.470) 16.287 25.676 ( -1.572 28.868 3.372) 29.107 26.712 ( -33.797 27.372 -21.215) 48.389 28.589 ( 3.095 -9.841 9.883) 14.287 28.721 ( -1.702 -6.082 -2.064) 6.644 31.329 ( 7.629 -7.114 20.496) 22.998 31.729 ( -3.002 -8.415 -5.328) 10.402 32.758 ( 0.999 -7.400 -0.292) 7.472 32.774 ( 1.109 -7.911 -0.120) 7.989 36.391 ( 0.435 2.362 4.371) 4.987 36.568 ( -14.662 2.262 -1.815) 14.946 36.699 ( 9.609 -4.695 -8.391) 13.594 37.280 ( 13.386 -7.766 0.802) 15.496 ======================= Grid point 20 (13/126) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 10.513 13.281 -2.285) 17.091 1.062 ( 19.153 2.938 -2.587) 19.549 1.473 ( 1.783 6.155 -4.918) 8.078 1.602 ( 5.873 -2.448 4.760) 7.946 1.837 ( -5.396 8.934 -4.220) 11.259 1.880 ( 0.388 4.498 -4.720) 6.532 1.970 ( 2.646 0.743 1.100) 2.960 2.060 ( -5.935 0.782 4.348) 7.399 2.177 ( 3.836 12.650 10.906) 17.137 2.356 ( 2.519 1.568 1.589) 3.366 2.420 ( -4.507 1.311 -2.773) 5.452 2.513 ( -2.880 4.876 -6.118) 8.336 2.607 ( -4.216 6.578 -4.158) 8.851 2.823 ( 4.751 2.102 0.571) 5.227 2.999 ( -0.846 3.954 1.657) 4.370 3.075 ( 0.864 2.325 0.622) 2.557 3.132 ( 0.778 -5.635 5.976) 8.251 3.233 ( -0.621 5.891 4.585) 7.491 3.302 ( 0.634 6.894 0.904) 6.982 3.380 ( -7.020 4.233 -7.360) 11.017 4.276 ( 0.330 3.580 4.182) 5.515 4.424 ( -3.442 3.524 -3.651) 6.131 5.010 ( 0.672 -1.904 1.751) 2.672 5.071 ( -2.522 -1.597 -2.927) 4.180 6.535 ( 1.210 11.269 -0.209) 11.335 6.569 ( 1.058 10.415 -0.668) 10.490 7.754 ( 1.561 6.124 2.360) 6.746 7.867 ( -0.368 6.017 -2.059) 6.370 9.317 ( 0.191 -4.957 -1.019) 5.064 9.336 ( 1.253 -5.963 1.946) 6.397 9.692 ( -0.181 7.445 -0.909) 7.503 9.814 ( 0.213 7.823 1.733) 8.015 11.670 ( 0.175 -13.918 -0.098) 13.920 11.692 ( -0.190 -13.975 -0.187) 13.977 12.322 ( -0.729 -9.483 -1.446) 9.620 12.361 ( 1.076 -10.014 1.602) 10.198 14.135 ( 0.429 15.672 5.401) 16.582 14.372 ( -8.766 9.141 -7.482) 14.710 14.714 ( -2.842 -26.693 -2.298) 26.942 14.845 ( -4.858 -21.123 -1.083) 21.701 15.619 ( -0.108 13.107 -0.116) 13.108 15.643 ( -0.161 13.259 0.111) 13.260 16.707 ( -0.686 12.089 -0.228) 12.111 16.840 ( -0.844 10.694 1.241) 10.799 18.719 ( -0.113 13.725 -0.153) 13.727 18.795 ( -2.455 16.913 0.594) 17.101 22.649 ( 1.259 -14.891 -1.646) 15.034 22.782 ( 1.473 -16.848 1.703) 16.998 25.669 ( -2.591 28.747 4.500) 29.212 26.065 ( -19.007 34.109 -10.773) 40.506 28.629 ( -2.161 -6.514 -2.594) 7.337 28.696 ( -0.379 -7.630 4.073) 8.657 31.411 ( -4.080 -3.501 -4.871) 7.254 31.736 ( -0.766 -10.058 13.649) 16.972 32.762 ( 0.368 -7.400 -0.733) 7.445 32.805 ( 1.450 -8.433 -0.092) 8.557 36.310 ( -8.036 3.408 -1.404) 8.841 36.490 ( 1.492 1.260 7.996) 8.231 36.798 ( 9.308 -7.136 -14.195) 18.413 37.499 ( 7.580 -9.865 4.477) 13.222 ======================= Grid point 21 (14/126) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 12.555 4.692 -1.657) 13.505 1.417 ( 15.645 -3.183 2.367) 16.140 1.516 ( 2.857 6.098 1.780) 6.965 1.676 ( -4.200 16.976 -0.227) 17.489 1.788 ( 7.025 -6.509 0.958) 9.625 1.839 ( -3.310 -3.510 -3.051) 5.708 1.917 ( -1.299 5.438 -2.524) 6.135 2.050 ( 1.654 5.008 0.660) 5.315 2.209 ( -7.584 8.420 -2.324) 11.568 2.271 ( -5.936 5.165 1.555) 8.020 2.376 ( -3.549 0.426 -3.219) 4.811 2.465 ( 2.735 2.802 1.416) 4.163 2.632 ( 7.151 -0.513 -1.569) 7.339 2.902 ( -1.354 -4.263 3.557) 5.715 2.993 ( 1.262 5.232 0.510) 5.406 3.066 ( -0.434 -0.088 -3.134) 3.166 3.148 ( -4.039 13.089 -3.030) 14.029 3.196 ( -1.866 1.465 3.786) 4.468 3.259 ( -1.912 2.962 4.124) 5.425 3.324 ( -0.131 10.142 -0.230) 10.146 4.256 ( -2.812 3.759 -2.449) 5.294 4.384 ( -0.238 5.084 2.507) 5.673 4.996 ( -1.145 -0.865 -1.514) 2.087 5.052 ( 0.366 -2.243 0.684) 2.373 6.530 ( 0.000 9.859 -1.340) 9.950 6.614 ( 1.952 11.260 1.010) 11.472 7.793 ( 0.615 6.417 1.151) 6.549 7.847 ( -0.138 5.701 -0.840) 5.764 9.286 ( -0.706 -4.991 -1.680) 5.314 9.417 ( 3.103 -8.190 3.429) 9.405 9.666 ( -1.046 6.161 -2.081) 6.587 9.822 ( -0.571 9.201 1.323) 9.313 11.668 ( -0.110 -14.037 -0.429) 14.044 11.692 ( 0.177 -13.759 0.052) 13.760 12.280 ( -1.058 -8.071 -2.122) 8.412 12.403 ( 0.960 -10.705 1.643) 10.873 14.102 ( -4.117 16.299 -4.037) 17.289 14.271 ( -0.038 18.646 5.090) 19.328 14.632 ( -2.929 -25.873 -3.910) 26.331 14.813 ( -0.337 -27.979 1.517) 28.022 15.613 ( -0.268 13.187 -0.232) 13.191 15.648 ( 0.369 13.214 0.237) 13.221 16.682 ( -0.814 12.542 -1.415) 12.648 16.835 ( -0.712 11.657 1.352) 11.757 18.713 ( -0.391 13.464 0.033) 13.469 18.776 ( -0.165 14.385 0.314) 14.389 22.656 ( 0.779 -15.358 -1.213) 15.425 22.810 ( 0.359 -17.142 1.071) 17.179 25.654 ( -2.031 28.567 2.918) 28.787 25.762 ( -7.507 30.710 -3.988) 31.864 28.558 ( -1.687 -5.509 -3.214) 6.598 28.719 ( -0.254 -6.872 2.463) 7.305 31.283 ( -2.680 1.467 -6.152) 6.869 31.809 ( -1.865 -8.904 9.180) 12.924 32.763 ( 0.263 -7.797 -0.462) 7.815 32.821 ( 0.500 -8.124 -0.151) 8.141 36.192 ( -3.396 3.534 -0.975) 4.997 36.603 ( 1.206 -0.639 11.538) 11.618 36.806 ( 4.722 -5.762 -15.634) 17.318 37.646 ( 3.681 -12.801 4.299) 13.997 ======================= Grid point 22 (15/126) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 2.176 0.000) 2.176 1.497 ( 0.000 2.797 -0.000) 2.797 1.631 ( 0.000 17.244 -0.000) 17.244 1.639 ( 0.000 -6.808 0.000) 6.808 1.831 ( -0.000 -3.209 0.000) 3.209 1.832 ( 0.000 3.883 -0.000) 3.883 1.929 ( 0.000 1.846 0.000) 1.846 2.057 ( 0.000 10.684 0.000) 10.684 2.082 ( 0.000 5.186 0.000) 5.186 2.244 ( 0.000 5.727 0.000) 5.727 2.283 ( 0.000 0.318 -0.000) 0.318 2.491 ( 0.000 -4.993 0.000) 4.993 2.745 ( 0.000 -1.741 0.000) 1.741 2.843 ( 0.000 -8.780 0.000) 8.780 3.001 ( 0.000 1.197 0.000) 1.197 3.085 ( -0.000 22.987 0.000) 22.987 3.092 ( 0.000 -2.324 -0.000) 2.324 3.199 ( 0.000 6.392 0.000) 6.392 3.238 ( -0.000 -2.125 -0.000) 2.125 3.330 ( 0.000 17.121 0.000) 17.121 4.208 ( 0.000 3.428 0.000) 3.428 4.398 ( 0.000 5.776 0.000) 5.776 4.977 ( 0.000 -0.459 0.000) 0.459 5.060 ( 0.000 -2.449 0.000) 2.449 6.524 ( 0.000 9.340 0.000) 9.340 6.639 ( 0.000 11.573 0.000) 11.573 7.799 ( 0.000 5.778 0.000) 5.778 7.846 ( 0.000 6.340 0.000) 6.340 9.272 ( 0.000 -5.258 0.000) 5.258 9.473 ( 0.000 -10.049 0.000) 10.049 9.638 ( 0.000 6.566 -0.000) 6.566 9.821 ( 0.000 9.834 0.000) 9.834 11.664 ( 0.000 -14.119 0.000) 14.119 11.694 ( 0.000 -13.603 0.000) 13.603 12.260 ( 0.000 -7.380 0.000) 7.380 12.419 ( 0.000 -10.894 0.000) 10.894 14.038 ( 0.000 16.647 -0.000) 16.647 14.310 ( 0.000 22.804 0.000) 22.804 14.576 ( 0.000 -28.688 0.000) 28.688 14.820 ( 0.000 -28.954 0.000) 28.954 15.609 ( 0.000 13.217 0.000) 13.217 15.654 ( 0.000 13.223 0.000) 13.223 16.666 ( 0.000 12.646 0.000) 12.646 16.834 ( 0.000 11.980 0.000) 11.980 18.709 ( 0.000 13.599 0.000) 13.599 18.778 ( 0.000 13.246 0.000) 13.246 22.659 ( 0.000 -15.459 0.000) 15.459 22.817 ( 0.000 -17.272 0.000) 17.272 25.646 ( 0.000 28.531 0.000) 28.531 25.677 ( 0.000 28.939 0.000) 28.939 28.527 ( 0.000 -5.281 0.000) 5.281 28.727 ( 0.000 -6.466 0.000) 6.466 31.230 ( 0.000 2.916 0.000) 2.916 31.827 ( 0.000 -8.060 0.000) 8.060 32.764 ( 0.000 -7.956 0.000) 7.956 32.825 ( 0.000 -7.962 0.000) 7.962 36.156 ( 0.000 3.479 0.000) 3.479 36.694 ( 0.000 -2.029 -0.000) 2.029 36.753 ( 0.000 -4.176 0.000) 4.176 37.701 ( 0.000 -14.061 0.000) 14.061 ======================= Grid point 27 (16/126) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 16.997 0.000) 16.997 1.472 ( 0.000 -2.701 0.000) 2.701 1.534 ( 0.000 22.336 0.000) 22.336 1.593 ( 0.000 -5.339 0.000) 5.339 1.677 ( 0.000 9.180 0.000) 9.180 1.934 ( 0.000 4.164 0.000) 4.164 2.047 ( 0.000 14.622 0.000) 14.622 2.215 ( 0.000 5.235 0.000) 5.235 2.244 ( 0.000 -0.070 0.000) 0.070 2.415 ( 0.000 2.192 0.000) 2.192 2.450 ( 0.000 -0.942 0.000) 0.942 2.579 ( 0.000 -0.521 0.000) 0.521 2.758 ( 0.000 -6.680 0.000) 6.680 2.863 ( 0.000 3.582 0.000) 3.582 2.985 ( 0.000 2.958 0.000) 2.958 3.064 ( 0.000 4.386 0.000) 4.386 3.135 ( 0.000 0.859 0.000) 0.859 3.236 ( 0.000 1.043 0.000) 1.043 3.344 ( 0.000 11.796 0.000) 11.796 3.892 ( 0.000 10.217 0.000) 10.217 4.240 ( 0.000 3.617 0.000) 3.617 4.620 ( 0.000 3.049 0.000) 3.049 4.901 ( 0.000 -2.786 0.000) 2.786 5.122 ( 0.000 -5.757 0.000) 5.757 6.834 ( 0.000 26.788 0.000) 26.788 6.951 ( 0.000 24.599 0.000) 24.599 7.810 ( 0.000 7.347 0.000) 7.347 8.056 ( 0.000 9.335 0.000) 9.335 9.143 ( 0.000 -6.728 0.000) 6.728 9.287 ( 0.000 -4.894 0.000) 4.894 9.810 ( 0.000 8.572 0.000) 8.572 9.980 ( 0.000 10.283 0.000) 10.283 11.357 ( 0.000 -16.805 0.000) 16.805 11.411 ( 0.000 -15.649 0.000) 15.649 12.003 ( 0.000 -19.916 0.000) 19.916 12.068 ( 0.000 -23.171 0.000) 23.171 14.061 ( 0.000 -19.337 0.000) 19.337 14.277 ( 0.000 5.585 0.000) 5.585 14.324 ( 0.000 -19.375 0.000) 19.375 15.124 ( 0.000 -14.582 0.000) 14.582 15.900 ( 0.000 14.890 0.000) 14.890 15.923 ( 0.000 13.671 0.000) 13.671 16.843 ( 0.000 6.120 0.000) 6.120 16.978 ( 0.000 3.663 0.000) 3.663 19.122 ( 0.000 24.201 0.000) 24.201 19.323 ( 0.000 22.629 0.000) 22.629 22.293 ( 0.000 -20.161 0.000) 20.161 22.337 ( 0.000 -20.872 0.000) 20.872 26.254 ( 0.000 28.764 0.000) 28.764 27.407 ( 0.000 4.546 0.000) 4.546 28.297 ( 0.000 -8.394 0.000) 8.394 28.590 ( 0.000 -9.881 0.000) 9.881 31.196 ( 0.000 7.878 0.000) 7.878 31.641 ( 0.000 -4.989 0.000) 4.989 32.563 ( 0.000 -10.218 0.000) 10.218 32.601 ( 0.000 -9.908 0.000) 9.908 36.428 ( 0.000 3.394 0.000) 3.394 36.608 ( 0.000 -0.688 0.000) 0.688 36.815 ( 0.000 -2.684 0.000) 2.684 36.908 ( 0.000 -5.679 0.000) 5.679 ======================= Grid point 28 (17/126) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 5.074 14.126 -2.869) 15.281 1.360 ( -6.555 17.206 -8.728) 20.376 1.466 ( -1.009 4.115 -0.005) 4.237 1.652 ( 4.834 9.014 -5.805) 11.761 1.716 ( 2.394 -6.248 6.831) 9.563 1.939 ( 0.004 2.961 0.909) 3.097 2.115 ( -2.576 0.406 3.972) 4.751 2.201 ( -1.033 5.640 -3.426) 6.679 2.250 ( 0.877 10.413 6.953) 12.552 2.389 ( 0.287 4.596 1.491) 4.840 2.475 ( 0.294 -1.665 -0.366) 1.730 2.567 ( -1.680 -2.589 2.129) 3.750 2.779 ( 0.485 -1.570 0.812) 1.833 2.873 ( 0.520 -0.920 3.458) 3.616 2.918 ( -4.154 5.076 -4.596) 8.009 3.058 ( -0.428 3.216 -0.198) 3.250 3.132 ( 1.094 0.235 -3.264) 3.450 3.247 ( 0.700 2.714 2.245) 3.591 3.402 ( 3.963 10.425 1.822) 11.301 3.819 ( -4.754 10.012 -5.305) 12.287 4.285 ( 2.130 4.502 4.674) 6.830 4.586 ( -2.032 3.627 -3.012) 5.134 4.926 ( 1.542 -2.667 1.655) 3.497 5.092 ( -1.766 -4.293 -2.349) 5.203 6.854 ( 1.451 26.468 1.122) 26.531 6.934 ( -0.678 24.820 -2.005) 24.910 7.833 ( 1.325 7.314 2.089) 7.721 8.041 ( -0.713 8.785 -1.888) 9.014 9.153 ( 0.354 -6.917 1.745) 7.143 9.268 ( -1.251 -5.148 -1.432) 5.488 9.843 ( 1.442 8.791 2.629) 9.288 9.967 ( -0.412 9.398 -1.270) 9.492 11.361 ( 0.274 -16.540 0.464) 16.549 11.404 ( -0.424 -15.849 -0.625) 15.867 12.017 ( 0.837 -20.526 1.072) 20.571 12.060 ( -0.370 -22.766 -0.818) 22.784 14.084 ( 1.092 -17.920 2.500) 18.126 14.210 ( -2.248 -9.944 -3.409) 10.750 14.414 ( 3.059 -4.467 6.548) 8.497 14.973 ( -10.032 -9.733 -9.316) 16.798 15.900 ( 0.049 14.983 0.029) 14.983 15.920 ( -0.234 14.072 -0.020) 14.074 16.864 ( 0.816 5.539 1.820) 5.887 16.975 ( 0.069 3.486 -0.703) 3.557 19.113 ( -0.839 24.228 -0.119) 24.243 19.280 ( -3.718 23.468 -0.328) 23.763 22.299 ( 0.377 -20.187 -0.186) 20.191 22.353 ( 1.308 -21.728 0.750) 21.781 26.254 ( -1.796 28.836 3.946) 29.160 27.108 ( -19.496 15.200 -12.013) 27.485 28.388 ( 3.348 -10.780 6.598) 13.075 28.565 ( -1.431 -9.746 -2.395) 10.137 31.303 ( 4.778 3.264 8.567) 10.338 31.606 ( -1.074 -3.508 -3.778) 5.267 32.580 ( 1.372 -10.433 0.390) 10.530 32.598 ( -0.001 -9.987 -0.581) 10.004 36.444 ( -0.138 2.944 3.524) 4.594 36.587 ( -8.721 -0.093 -3.027) 9.232 36.647 ( 2.195 -1.072 -3.032) 3.894 37.111 ( 10.241 -8.916 1.333) 13.644 ======================= Grid point 29 (18/126) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 9.012 6.231 -2.967) 11.351 1.238 ( 2.479 16.722 -7.969) 18.689 1.492 ( 1.648 -0.911 4.453) 4.835 1.695 ( 3.543 9.875 -3.469) 11.050 1.799 ( 0.527 -7.013 0.852) 7.085 1.943 ( -2.025 2.649 2.372) 4.092 2.036 ( -2.743 -3.304 1.471) 4.539 2.127 ( -2.060 10.090 -2.494) 10.596 2.334 ( 0.774 4.083 4.639) 6.228 2.418 ( -3.619 1.404 0.645) 3.935 2.446 ( -1.168 2.090 2.605) 3.538 2.558 ( -0.872 -2.655 0.490) 2.838 2.735 ( -7.309 7.095 -5.073) 11.379 2.817 ( 3.120 0.450 -3.862) 4.986 2.954 ( 0.746 -3.823 8.612) 9.452 3.046 ( 0.168 2.613 -1.227) 2.892 3.134 ( 1.500 0.250 -1.932) 2.459 3.290 ( 0.668 3.672 3.786) 5.316 3.495 ( 3.727 10.561 1.886) 11.357 3.659 ( -5.639 11.094 -6.208) 13.907 4.369 ( 1.857 5.735 3.876) 7.167 4.508 ( -2.727 4.771 -2.921) 6.223 4.973 ( 1.412 -1.839 1.755) 2.907 5.036 ( -1.357 -1.865 -2.579) 3.460 6.891 ( 0.116 25.533 -1.172) 25.560 6.913 ( 1.442 25.267 0.446) 25.312 7.887 ( 1.750 7.308 2.895) 8.053 8.002 ( -1.190 7.652 -2.558) 8.156 9.186 ( 1.179 -7.742 2.513) 8.224 9.222 ( -1.722 -5.823 -1.930) 6.372 9.859 ( -0.853 9.322 -1.333) 9.455 9.973 ( 0.785 8.281 2.346) 8.643 11.373 ( 0.324 -15.902 0.351) 15.910 11.389 ( -0.347 -16.395 -0.497) 16.407 12.032 ( -0.273 -21.309 -0.892) 21.330 12.057 ( 0.801 -22.188 0.910) 22.221 14.121 ( -0.144 -13.309 -0.256) 13.312 14.169 ( 0.805 -17.898 0.837) 17.935 14.520 ( 1.500 1.585 7.172) 7.496 14.671 ( -10.835 -3.517 -10.473) 15.474 15.900 ( -0.075 15.059 -0.166) 15.060 15.919 ( 0.167 14.586 0.172) 14.588 16.880 ( -0.144 5.540 -0.195) 5.545 16.975 ( 0.066 3.423 0.720) 3.499 19.094 ( -0.843 24.084 -0.179) 24.099 19.205 ( -3.265 24.140 -0.111) 24.360 22.301 ( 0.419 -20.383 -0.918) 20.407 22.387 ( 1.000 -22.918 1.210) 22.971 26.248 ( -2.849 29.131 5.374) 29.759 26.651 ( -16.467 25.642 -9.312) 31.865 28.464 ( -0.233 -10.171 0.603) 10.191 28.521 ( -0.401 -10.176 0.545) 10.198 31.391 ( -0.442 1.817 -0.930) 2.088 31.604 ( 1.336 -3.232 4.808) 5.945 32.590 ( 0.093 -9.963 -0.934) 10.007 32.613 ( 1.338 -10.829 0.416) 10.920 36.377 ( -7.079 3.382 -0.857) 7.892 36.516 ( 0.435 1.359 6.136) 6.300 36.693 ( 5.794 -3.782 -8.603) 11.040 37.280 ( 5.864 -11.730 2.378) 13.328 ======================= Grid point 30 (19/126) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 8.371 7.506 -5.596) 12.559 1.349 ( 10.596 -0.339 1.384) 10.691 1.576 ( -0.514 -2.154 7.373) 7.698 1.664 ( -2.947 -3.814 -3.017) 5.686 1.775 ( 0.050 0.032 -4.419) 4.419 1.939 ( 2.440 7.632 2.167) 8.301 2.072 ( 3.362 1.989 0.505) 3.938 2.109 ( -0.476 6.677 0.545) 6.716 2.313 ( -6.220 -1.367 0.488) 6.387 2.349 ( -1.845 2.754 1.039) 3.474 2.413 ( -4.884 4.253 2.313) 6.877 2.490 ( -5.677 4.004 -6.823) 9.737 2.596 ( 0.779 -4.700 -1.300) 4.938 2.829 ( -1.621 0.433 -0.739) 1.833 3.005 ( -0.267 -1.221 2.722) 2.995 3.075 ( 2.747 3.255 0.889) 4.351 3.171 ( 2.856 1.598 1.042) 3.435 3.316 ( -1.295 3.766 3.097) 5.045 3.509 ( -2.830 12.284 -3.580) 13.104 3.598 ( 2.786 11.531 1.224) 11.926 4.354 ( -2.559 5.874 -3.407) 7.256 4.500 ( 0.918 6.666 3.247) 7.471 4.983 ( -0.567 -0.502 -0.873) 1.156 5.023 ( 0.732 -0.765 0.258) 1.090 6.866 ( -0.455 25.226 -1.606) 25.281 6.965 ( 1.874 24.969 1.394) 25.078 7.926 ( 0.065 7.211 0.483) 7.228 7.973 ( 0.117 6.853 -0.201) 6.857 9.174 ( -1.241 -6.328 -1.645) 6.655 9.238 ( 1.454 -9.608 2.313) 9.989 9.817 ( -1.280 8.887 -2.171) 9.237 10.007 ( 0.278 9.344 2.263) 9.618 11.367 ( -0.343 -16.220 -0.604) 16.235 11.395 ( 0.393 -15.978 0.516) 15.991 12.014 ( -0.379 -20.380 -1.058) 20.411 12.082 ( 0.676 -22.984 0.851) 23.010 14.094 ( -0.338 -17.845 -2.083) 17.969 14.226 ( 1.669 -10.816 3.225) 11.409 14.425 ( -6.122 -4.579 -6.802) 10.233 14.589 ( -0.106 5.022 4.870) 6.996 15.895 ( -0.187 15.099 -0.258) 15.103 15.928 ( 0.426 14.849 0.242) 14.857 16.863 ( -0.560 5.923 -1.232) 6.075 16.986 ( -0.002 3.923 1.177) 4.095 19.080 ( -0.456 23.828 -0.112) 23.833 19.161 ( -1.349 23.862 -0.000) 23.900 22.302 ( 0.331 -20.587 -0.725) 20.603 22.406 ( 0.232 -23.522 0.704) 23.534 26.236 ( -2.211 29.571 3.627) 29.875 26.357 ( -8.136 28.925 -4.406) 30.369 28.419 ( -1.341 -8.737 -2.776) 9.265 28.550 ( 0.458 -10.375 2.416) 10.662 31.342 ( -1.057 4.795 -3.569) 6.070 31.674 ( 0.436 -4.190 5.264) 6.742 32.585 ( 0.089 -10.180 -0.665) 10.203 32.635 ( 0.626 -10.666 0.204) 10.687 36.270 ( -3.343 4.266 -0.700) 5.465 36.591 ( 0.151 -0.512 9.306) 9.321 36.707 ( 4.054 -4.160 -11.054) 12.487 37.379 ( 2.552 -13.810 2.156) 14.208 ======================= Grid point 31 (20/126) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 5.118 0.000) 5.118 1.494 ( 0.000 -4.334 0.000) 4.334 1.520 ( 0.000 -0.696 -0.000) 0.696 1.673 ( 0.000 -9.632 0.000) 9.632 1.737 ( -0.000 1.013 0.000) 1.013 2.048 ( -0.000 7.397 -0.000) 7.397 2.057 ( 0.000 3.588 0.000) 3.588 2.128 ( -0.000 2.763 0.000) 2.763 2.234 ( -0.000 -0.690 -0.000) 0.690 2.305 ( 0.000 13.451 0.000) 13.451 2.324 ( 0.000 2.185 -0.000) 2.185 2.426 ( 0.000 0.665 0.000) 0.665 2.631 ( 0.000 -11.607 0.000) 11.607 2.783 ( 0.000 4.466 0.000) 4.466 3.014 ( 0.000 -0.646 0.000) 0.646 3.113 ( 0.000 4.324 0.000) 4.324 3.221 ( 0.000 1.085 0.000) 1.085 3.304 ( 0.000 4.554 0.000) 4.554 3.458 ( 0.000 12.825 0.000) 12.825 3.640 ( 0.000 11.565 0.000) 11.565 4.305 ( 0.000 6.182 0.000) 6.182 4.527 ( 0.000 7.267 0.000) 7.267 4.972 ( 0.000 -0.239 0.000) 0.239 5.033 ( 0.000 -0.248 0.000) 0.248 6.854 ( 0.000 25.202 0.000) 25.202 6.991 ( 0.000 24.749 0.000) 24.749 7.919 ( 0.000 6.645 0.000) 6.645 7.982 ( 0.000 7.094 0.000) 7.094 9.153 ( 0.000 -6.608 0.000) 6.608 9.265 ( 0.000 -10.718 0.000) 10.718 9.793 ( 0.000 8.981 0.000) 8.981 10.018 ( 0.000 9.921 0.000) 9.921 11.360 ( 0.000 -16.387 0.000) 16.387 11.401 ( 0.000 -15.750 0.000) 15.750 12.005 ( 0.000 -19.908 0.000) 19.908 12.093 ( 0.000 -23.315 0.000) 23.315 14.082 ( 0.000 -19.976 0.000) 19.976 14.260 ( -0.000 5.429 -0.000) 5.429 14.334 ( 0.000 -19.277 0.000) 19.277 14.606 ( 0.000 6.933 0.000) 6.933 15.892 ( 0.000 15.143 0.000) 15.143 15.933 ( 0.000 14.893 0.000) 14.893 16.851 ( 0.000 6.121 0.000) 6.121 16.991 ( 0.000 4.179 0.000) 4.179 19.075 ( 0.000 23.765 0.000) 23.765 19.149 ( 0.000 23.565 0.000) 23.565 22.302 ( 0.000 -20.648 0.000) 20.648 22.411 ( 0.000 -23.703 0.000) 23.703 26.228 ( 0.000 29.746 0.000) 29.746 26.262 ( 0.000 29.462 0.000) 29.462 28.392 ( 0.000 -8.482 0.000) 8.482 28.565 ( 0.000 -10.089 0.000) 10.089 31.316 ( 0.000 5.920 0.000) 5.920 31.699 ( 0.000 -4.213 0.000) 4.213 32.583 ( 0.000 -10.274 0.000) 10.274 32.642 ( 0.000 -10.536 0.000) 10.536 36.235 ( 0.000 4.440 0.000) 4.440 36.657 ( 0.000 -1.551 -0.000) 1.551 36.674 ( -0.000 -3.761 0.000) 3.761 37.413 ( 0.000 -14.678 0.000) 14.678 ======================= Grid point 36 (21/126) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 10.826 0.000) 10.826 1.421 ( 0.000 0.837 0.000) 0.837 1.494 ( 0.000 -3.952 0.000) 3.952 1.855 ( 0.000 10.574 0.000) 10.574 1.949 ( 0.000 -2.181 0.000) 2.181 1.988 ( 0.000 17.642 0.000) 17.642 2.074 ( 0.000 -5.188 0.000) 5.188 2.320 ( 0.000 5.956 0.000) 5.956 2.375 ( 0.000 2.752 0.000) 2.752 2.436 ( 0.000 1.419 0.000) 1.419 2.464 ( 0.000 5.789 0.000) 5.789 2.616 ( 0.000 3.940 0.000) 3.940 2.679 ( 0.000 -0.221 0.000) 0.221 2.925 ( 0.000 3.006 0.000) 3.006 3.027 ( 0.000 1.101 0.000) 1.101 3.152 ( 0.000 4.225 0.000) 4.225 3.174 ( 0.000 3.328 0.000) 3.328 3.279 ( 0.000 2.832 0.000) 2.832 3.450 ( 0.000 -0.658 0.000) 0.658 3.956 ( 0.000 -4.141 0.000) 4.141 4.331 ( 0.000 5.550 0.000) 5.550 4.684 ( 0.000 3.482 0.000) 3.482 4.830 ( 0.000 -4.579 0.000) 4.579 5.013 ( 0.000 -5.042 0.000) 5.042 7.500 ( 0.000 39.199 0.000) 39.199 7.568 ( 0.000 37.164 0.000) 37.164 7.972 ( 0.000 9.056 0.000) 9.056 8.247 ( 0.000 9.873 0.000) 9.873 9.012 ( 0.000 -5.855 0.000) 5.855 9.193 ( 0.000 -4.097 0.000) 4.097 9.992 ( 0.000 9.822 0.000) 9.822 10.173 ( 0.000 9.378 0.000) 9.378 11.027 ( 0.000 -16.504 0.000) 16.504 11.103 ( 0.000 -15.365 0.000) 15.365 11.450 ( 0.000 -36.049 0.000) 36.049 11.474 ( 0.000 -36.822 0.000) 36.822 13.823 ( 0.000 -5.134 0.000) 5.134 14.086 ( 0.000 -5.083 0.000) 5.083 14.284 ( 0.000 -4.181 0.000) 4.181 14.824 ( 0.000 -15.599 0.000) 15.599 16.190 ( 0.000 14.447 0.000) 14.447 16.205 ( 0.000 14.625 0.000) 14.625 16.899 ( 0.000 -0.285 0.000) 0.285 16.990 ( 0.000 -2.220 0.000) 2.220 19.652 ( 0.000 29.006 0.000) 29.006 19.790 ( 0.000 24.797 0.000) 24.797 21.855 ( 0.000 -24.297 0.000) 24.297 21.881 ( 0.000 -25.215 0.000) 25.215 26.778 ( 0.000 24.399 0.000) 24.399 27.517 ( 0.000 6.731 0.000) 6.731 28.104 ( 0.000 -11.182 0.000) 11.182 28.368 ( 0.000 -12.461 0.000) 12.461 31.379 ( 0.000 10.669 0.000) 10.669 31.615 ( 0.000 2.280 0.000) 2.280 32.346 ( 0.000 -11.795 0.000) 11.795 32.387 ( 0.000 -11.752 0.000) 11.752 36.494 ( 0.000 3.320 0.000) 3.320 36.601 ( 0.000 -0.087 0.000) 0.087 36.760 ( 0.000 -2.863 0.000) 2.863 36.803 ( 0.000 -4.836 0.000) 4.836 ======================= Grid point 37 (22/126) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.190 10.801 -1.642) 10.990 1.404 ( -1.886 1.799 1.525) 3.020 1.552 ( 2.614 -5.706 4.770) 7.883 1.844 ( -6.589 17.056 -8.120) 20.006 1.874 ( 2.527 8.883 -2.534) 9.577 1.947 ( -1.305 -1.628 2.716) 3.425 2.041 ( -4.954 -4.005 1.145) 6.472 2.313 ( -0.127 5.807 -0.712) 5.852 2.401 ( 0.301 -1.401 3.310) 3.607 2.428 ( -2.835 4.211 3.727) 6.297 2.470 ( 1.720 2.158 -3.094) 4.146 2.558 ( -4.037 2.397 -0.766) 4.757 2.765 ( 4.318 2.076 3.003) 5.655 2.916 ( -0.497 3.701 1.899) 4.189 3.002 ( -1.689 2.693 -2.663) 4.147 3.139 ( -2.076 4.895 0.944) 5.400 3.156 ( 0.640 2.737 -3.447) 4.448 3.305 ( 2.227 2.835 1.070) 3.761 3.504 ( 3.738 -0.275 2.498) 4.504 3.875 ( -4.781 -4.290 -5.687) 8.579 4.391 ( 3.157 6.027 4.900) 8.384 4.659 ( -1.334 3.802 -2.649) 4.822 4.861 ( 2.356 -4.068 1.583) 4.960 5.007 ( 0.164 -4.271 -1.866) 4.664 7.510 ( 0.794 38.721 0.743) 38.736 7.557 ( -0.531 37.439 -1.220) 37.463 7.992 ( 1.012 8.886 2.225) 9.216 8.223 ( -1.502 9.500 -2.102) 9.845 9.019 ( -0.010 -5.986 1.658) 6.211 9.169 ( -1.753 -4.310 -1.366) 4.849 10.024 ( 1.650 9.611 2.715) 10.122 10.150 ( -1.189 9.200 -1.955) 9.480 11.036 ( 0.558 -16.314 0.800) 16.343 11.092 ( -0.628 -15.546 -0.978) 15.589 11.457 ( 0.425 -36.291 0.489) 36.296 11.471 ( -0.150 -36.704 -0.373) 36.706 13.855 ( 1.789 -5.037 3.073) 6.166 14.023 ( -2.950 -4.833 -4.584) 7.285 14.363 ( 3.533 -4.842 6.599) 8.914 14.740 ( -5.483 -13.315 -6.123) 15.647 16.193 ( 0.202 14.578 0.154) 14.580 16.204 ( -0.027 14.586 -0.120) 14.586 16.912 ( 0.689 -0.541 1.052) 1.369 16.986 ( -0.063 -2.228 -0.710) 2.339 19.644 ( -0.736 29.127 0.019) 29.136 19.764 ( -2.232 25.693 -0.348) 25.792 21.857 ( 0.136 -24.526 -0.007) 24.527 21.887 ( 0.473 -25.499 0.329) 25.506 26.781 ( -1.203 24.635 3.354) 24.891 27.364 ( -10.595 11.685 -6.809) 17.181 28.162 ( 2.656 -12.306 4.439) 13.349 28.345 ( -1.246 -12.392 -2.309) 12.667 31.427 ( 2.578 8.780 3.466) 9.785 31.602 ( -0.112 2.994 -1.983) 3.593 32.359 ( 1.037 -11.915 0.558) 11.973 32.384 ( -0.003 -11.696 -0.628) 11.713 36.503 ( -0.452 2.940 2.494) 3.882 36.581 ( -3.921 -0.281 -2.426) 4.619 36.637 ( -1.717 -0.158 -1.257) 2.134 36.944 ( 6.916 -7.893 0.893) 10.532 ======================= Grid point 38 (23/126) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.440 8.166 -1.877) 8.391 1.385 ( -1.394 1.319 2.728) 3.335 1.604 ( 0.745 -0.812 -4.898) 5.020 1.720 ( -1.219 9.355 -0.313) 9.439 1.883 ( 0.387 4.690 -4.310) 6.381 1.939 ( -4.516 -3.755 2.093) 6.235 1.960 ( 0.049 -0.638 2.824) 2.895 2.295 ( -1.793 3.030 -1.605) 3.869 2.380 ( -3.293 1.843 3.295) 5.010 2.415 ( -1.813 0.725 0.266) 1.971 2.461 ( -5.098 1.256 1.233) 5.394 2.500 ( 1.668 0.620 1.840) 2.560 2.829 ( 3.208 2.128 -2.773) 4.745 2.882 ( -6.187 5.281 -5.409) 9.769 2.994 ( 2.149 5.142 7.227) 9.126 3.085 ( -1.569 1.954 -2.072) 3.252 3.187 ( 3.126 4.935 0.114) 5.843 3.357 ( 1.278 2.787 2.125) 3.730 3.606 ( 3.782 0.356 3.036) 4.863 3.729 ( -4.308 -3.255 -5.684) 7.840 4.492 ( 2.601 6.509 2.673) 7.502 4.604 ( -1.189 5.067 -1.935) 5.553 4.932 ( 2.914 -2.600 2.033) 4.403 4.992 ( 0.288 -2.953 -2.416) 3.826 7.528 ( -0.358 37.975 -1.171) 37.995 7.546 ( 1.126 37.673 0.821) 37.699 8.040 ( 1.335 8.338 3.122) 9.003 8.164 ( -2.178 8.674 -2.876) 9.394 9.037 ( 0.194 -6.583 2.261) 6.964 9.112 ( -2.463 -4.803 -1.976) 5.748 10.050 ( -0.946 9.960 -1.304) 10.089 10.138 ( 0.990 8.507 2.171) 8.835 11.059 ( 0.827 -15.969 1.184) 16.034 11.068 ( -0.783 -15.825 -1.235) 15.892 11.463 ( -0.191 -36.397 -0.566) 36.402 11.472 ( 0.560 -36.868 0.601) 36.877 13.923 ( -0.926 -4.864 -1.710) 5.239 13.940 ( 1.211 -5.195 1.783) 5.624 14.486 ( 2.794 -5.463 7.018) 9.322 14.548 ( -7.156 -8.889 -8.261) 14.088 16.195 ( -0.054 14.718 -0.285) 14.721 16.207 ( 0.445 14.635 0.334) 14.645 16.927 ( 0.085 -0.639 -0.219) 0.681 16.985 ( 0.343 -2.271 0.411) 2.333 19.628 ( -0.874 29.348 -0.020) 29.361 19.714 ( -2.338 27.225 -0.307) 27.326 21.858 ( 0.110 -24.546 -0.287) 24.548 21.900 ( 0.344 -26.375 0.522) 26.382 26.785 ( -1.868 25.335 4.689) 25.833 27.087 ( -10.867 19.343 -6.517) 23.124 28.237 ( 1.138 -12.750 2.453) 13.034 28.296 ( -1.024 -12.627 -1.790) 12.794 31.483 ( 0.731 7.266 -0.068) 7.303 31.607 ( 1.406 3.314 1.573) 3.929 32.377 ( 0.020 -11.647 -0.899) 11.682 32.388 ( 1.211 -12.007 0.618) 12.084 36.442 ( -5.462 3.123 -0.776) 6.340 36.542 ( -0.356 1.134 4.640) 4.790 36.642 ( 3.071 -1.387 -5.324) 6.301 37.058 ( 4.047 -10.610 1.191) 11.418 ======================= Grid point 39 (24/126) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 2.296 1.413 -0.950) 2.858 1.418 ( 2.014 -1.342 3.665) 4.392 1.550 ( -0.274 -2.494 -7.020) 7.455 1.689 ( -2.887 11.326 1.618) 11.800 1.816 ( -2.867 2.448 -3.368) 5.055 1.909 ( 0.740 -8.777 -3.031) 9.315 2.048 ( 3.678 -2.329 7.503) 8.675 2.179 ( -6.151 -4.592 -3.684) 8.515 2.341 ( -2.216 2.584 1.544) 3.738 2.376 ( -3.222 2.073 1.204) 4.016 2.447 ( 1.111 5.636 4.383) 7.226 2.529 ( -0.845 0.935 -0.458) 1.341 2.685 ( -6.162 9.899 -6.785) 13.491 2.873 ( 2.167 2.509 -2.105) 3.927 3.019 ( -2.231 1.989 1.019) 3.158 3.129 ( 3.960 2.948 4.395) 6.610 3.257 ( 3.323 6.182 0.383) 7.030 3.377 ( -0.929 2.094 1.670) 2.835 3.610 ( -2.320 -1.480 -3.161) 4.191 3.710 ( 2.610 0.399 1.972) 3.295 4.477 ( -1.532 6.592 -3.720) 7.723 4.638 ( 2.078 7.200 3.246) 8.167 4.961 ( -0.119 -2.367 -1.354) 2.729 5.010 ( 1.967 -0.865 0.880) 2.322 7.507 ( -0.433 38.447 -1.066) 38.464 7.582 ( 1.316 36.673 1.048) 36.711 8.076 ( -0.322 8.011 0.659) 8.044 8.114 ( -0.417 7.560 -0.434) 7.584 9.051 ( -1.369 -5.736 -1.144) 6.007 9.062 ( -0.121 -7.160 1.257) 7.270 10.005 ( -1.234 10.163 -2.030) 10.437 10.184 ( 0.900 8.727 2.521) 9.128 11.045 ( -0.535 -16.260 -0.841) 16.290 11.083 ( 0.639 -15.385 0.925) 15.426 11.456 ( -0.123 -36.145 -0.437) 36.148 11.485 ( 0.371 -37.366 0.373) 37.369 13.856 ( -1.437 -5.662 -2.960) 6.549 14.031 ( 2.859 -5.164 4.445) 7.389 14.357 ( -5.397 -5.672 -6.713) 10.314 14.577 ( 1.248 -5.558 4.546) 7.288 16.190 ( -0.117 14.696 -0.308) 14.700 16.221 ( 0.488 14.802 0.343) 14.814 16.916 ( -0.351 -0.426 -0.965) 1.112 17.001 ( 0.401 -2.149 0.946) 2.382 19.614 ( -0.477 29.527 -0.020) 29.531 19.678 ( -1.220 28.074 -0.155) 28.101 21.858 ( 0.119 -24.423 -0.217) 24.424 21.906 ( -0.019 -27.056 0.264) 27.057 26.786 ( -1.457 26.215 3.259) 26.456 26.877 ( -6.124 23.970 -3.558) 24.995 28.217 ( -1.116 -11.705 -2.323) 11.985 28.314 ( 0.820 -13.612 2.110) 13.799 31.472 ( -0.119 8.401 -1.790) 8.591 31.656 ( 1.029 2.327 2.588) 3.629 32.370 ( 0.028 -11.582 -0.686) 11.603 32.411 ( 0.697 -11.980 0.392) 12.007 36.355 ( -2.819 4.375 -0.509) 5.229 36.580 ( -0.655 -0.840 6.317) 6.406 36.649 ( 2.777 -1.478 -6.899) 7.582 37.121 ( 1.676 -12.227 0.989) 12.381 ======================= Grid point 40 (25/126) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 -2.765 0.000) 2.765 1.483 ( -0.000 -2.392 -0.000) 2.392 1.495 ( 0.000 -6.433 0.000) 6.433 1.669 ( 0.000 14.028 0.000) 14.028 1.760 ( -0.000 0.789 0.000) 0.789 1.901 ( 0.000 -11.401 0.000) 11.401 2.086 ( -0.000 -4.170 0.000) 4.170 2.137 ( 0.000 -2.310 -0.000) 2.310 2.345 ( 0.000 2.224 0.000) 2.224 2.392 ( -0.000 -5.213 -0.000) 5.213 2.405 ( 0.000 9.223 0.000) 9.223 2.497 ( -0.000 4.824 -0.000) 4.824 2.618 ( 0.000 12.639 0.000) 12.639 2.876 ( 0.000 4.331 0.000) 4.331 3.003 ( 0.000 -0.021 0.000) 0.021 3.202 ( 0.000 4.154 0.000) 4.154 3.298 ( -0.000 6.415 0.000) 6.415 3.363 ( 0.000 1.075 0.000) 1.075 3.570 ( 0.000 -0.664 0.000) 0.664 3.747 ( 0.000 -0.002 0.000) 0.002 4.441 ( 0.000 7.463 0.000) 7.463 4.676 ( 0.000 7.695 0.000) 7.695 4.951 ( 0.000 -2.465 0.000) 2.465 5.035 ( 0.000 -0.037 0.000) 0.037 7.498 ( 0.000 38.629 0.000) 38.629 7.601 ( 0.000 36.295 0.000) 36.295 8.062 ( 0.000 7.848 0.000) 7.848 8.121 ( 0.000 7.089 0.000) 7.089 9.027 ( 0.000 -5.494 0.000) 5.494 9.071 ( 0.000 -8.176 0.000) 8.176 9.984 ( 0.000 10.334 0.000) 10.334 10.203 ( 0.000 8.945 0.000) 8.945 11.036 ( 0.000 -16.350 0.000) 16.350 11.094 ( 0.000 -15.197 0.000) 15.197 11.453 ( 0.000 -36.053 0.000) 36.053 11.491 ( 0.000 -37.558 0.000) 37.558 13.829 ( 0.000 -5.970 0.000) 5.970 14.091 ( 0.000 -5.555 0.000) 5.555 14.263 ( 0.000 -4.370 0.000) 4.370 14.608 ( 0.000 -5.478 0.000) 5.478 16.187 ( 0.000 14.702 0.000) 14.702 16.227 ( 0.000 14.845 0.000) 14.845 16.907 ( 0.000 -0.268 0.000) 0.268 17.009 ( 0.000 -2.072 0.000) 2.072 19.610 ( 0.000 29.612 0.000) 29.612 19.665 ( 0.000 28.260 0.000) 28.260 21.858 ( 0.000 -24.368 0.000) 24.368 21.906 ( 0.000 -27.273 0.000) 27.273 26.784 ( 0.000 26.529 0.000) 26.529 26.804 ( 0.000 25.459 0.000) 25.459 28.195 ( 0.000 -11.612 0.000) 11.612 28.332 ( 0.000 -13.614 0.000) 13.614 31.463 ( 0.000 9.007 0.000) 9.007 31.677 ( 0.000 2.002 0.000) 2.002 32.368 ( 0.000 -11.572 0.000) 11.572 32.419 ( 0.000 -11.918 0.000) 11.918 36.326 ( 0.000 4.728 0.000) 4.728 36.607 ( 0.000 -3.139 -0.000) 3.139 36.640 ( 0.000 0.025 0.000) 0.025 37.141 ( 0.000 -12.796 0.000) 12.796 ======================= Grid point 45 (26/126) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 3.037 0.000) 3.037 1.450 ( 0.000 -0.624 0.000) 0.624 1.570 ( 0.000 10.091 0.000) 10.091 1.867 ( 0.000 -5.455 0.000) 5.455 1.913 ( 0.000 -3.026 0.000) 3.026 1.956 ( 0.000 -6.263 0.000) 6.263 2.260 ( 0.000 9.132 0.000) 9.132 2.377 ( 0.000 -0.578 0.000) 0.578 2.474 ( 0.000 8.060 0.000) 8.060 2.512 ( 0.000 6.069 0.000) 6.069 2.563 ( 0.000 2.876 0.000) 2.876 2.681 ( 0.000 1.111 0.000) 1.111 2.786 ( 0.000 11.430 0.000) 11.430 2.986 ( 0.000 2.900 0.000) 2.900 3.040 ( 0.000 0.594 0.000) 0.594 3.209 ( 0.000 0.253 0.000) 0.253 3.268 ( 0.000 6.550 0.000) 6.550 3.324 ( 0.000 1.415 0.000) 1.415 3.366 ( 0.000 -5.736 0.000) 5.736 3.758 ( 0.000 -14.455 0.000) 14.455 4.452 ( 0.000 6.733 0.000) 6.733 4.722 ( 0.000 -6.299 0.000) 6.299 4.758 ( 0.000 3.998 0.000) 3.998 4.924 ( 0.000 -4.302 0.000) 4.302 8.159 ( 0.000 9.713 0.000) 9.713 8.211 ( 0.000 24.980 0.000) 24.980 8.295 ( 0.000 30.952 0.000) 30.952 8.433 ( 0.000 8.624 0.000) 8.624 9.023 ( 0.000 14.143 0.000) 14.143 9.199 ( 0.000 9.526 0.000) 9.526 10.185 ( 0.000 8.503 0.000) 8.503 10.336 ( 0.000 4.267 0.000) 4.267 10.643 ( 0.000 -42.887 0.000) 42.887 10.680 ( 0.000 -40.250 0.000) 40.250 10.719 ( 0.000 -14.699 0.000) 14.699 10.819 ( 0.000 -13.382 0.000) 13.382 13.827 ( 0.000 4.500 0.000) 4.500 14.098 ( 0.000 5.391 0.000) 5.391 14.147 ( 0.000 -8.917 0.000) 8.917 14.526 ( 0.000 -14.509 0.000) 14.509 16.459 ( 0.000 12.761 0.000) 12.761 16.483 ( 0.000 13.462 0.000) 13.462 16.838 ( 0.000 -5.729 0.000) 5.729 16.898 ( 0.000 -6.961 0.000) 6.961 20.235 ( 0.000 29.917 0.000) 29.917 20.291 ( 0.000 26.221 0.000) 26.221 21.349 ( 0.000 -26.915 0.000) 26.915 21.364 ( 0.000 -27.220 0.000) 27.220 27.211 ( 0.000 19.867 0.000) 19.867 27.673 ( 0.000 9.168 0.000) 9.168 27.860 ( 0.000 -13.724 0.000) 13.724 28.116 ( 0.000 -12.848 0.000) 12.848 31.607 ( 0.000 12.392 0.000) 12.392 31.719 ( 0.000 7.925 0.000) 7.925 32.106 ( 0.000 -12.542 0.000) 12.542 32.147 ( 0.000 -12.431 0.000) 12.431 36.555 ( 0.000 2.774 0.000) 2.774 36.603 ( 0.000 0.219 0.000) 0.219 36.708 ( 0.000 -2.257 0.000) 2.257 36.723 ( 0.000 -3.190 0.000) 3.190 ======================= Grid point 46 (27/126) ======================= q-point: ( 0.12 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.400 2.744 2.255) 3.574 1.471 ( 0.147 -2.003 4.283) 4.730 1.561 ( -0.855 9.983 -1.554) 10.139 1.840 ( -1.803 -5.623 -1.005) 5.990 1.913 ( -0.614 -4.432 -3.270) 5.542 1.938 ( -2.627 -3.503 4.634) 6.375 2.162 ( -6.266 10.004 -3.240) 12.241 2.343 ( -3.702 -1.975 0.183) 4.200 2.473 ( -1.117 6.073 2.279) 6.582 2.499 ( -1.926 3.472 0.868) 4.064 2.557 ( 1.831 6.347 -3.300) 7.384 2.635 ( -2.452 4.281 -3.416) 6.001 2.839 ( 2.211 5.976 0.268) 6.378 2.995 ( -0.216 3.488 3.650) 5.053 3.032 ( -0.435 1.413 -0.162) 1.487 3.225 ( 1.196 2.664 1.251) 3.176 3.235 ( -1.968 4.900 -3.137) 6.142 3.342 ( 2.509 0.236 -0.758) 2.632 3.428 ( 3.612 -5.221 4.032) 7.520 3.692 ( -3.803 -12.693 -4.513) 13.997 4.514 ( 3.846 6.467 3.991) 8.517 4.736 ( -0.534 3.598 -2.099) 4.199 4.766 ( 3.054 -4.999 1.588) 6.070 4.921 ( 0.626 -4.550 -2.066) 5.037 8.161 ( 0.019 12.109 0.963) 12.147 8.228 ( 0.652 21.881 1.764) 21.962 8.284 ( -0.845 30.337 -0.559) 30.354 8.405 ( -1.733 9.017 -2.151) 9.431 9.027 ( -0.055 14.035 1.223) 14.088 9.175 ( -1.805 10.022 -1.154) 10.249 10.211 ( 1.437 7.980 2.149) 8.388 10.315 ( -1.098 5.085 -1.765) 5.493 10.645 ( 0.102 -42.824 0.103) 42.824 10.674 ( -0.267 -40.136 -0.427) 40.139 10.734 ( 0.769 -15.250 1.373) 15.331 10.806 ( -0.791 -13.667 -1.172) 13.740 13.858 ( 1.732 4.355 3.021) 5.576 14.021 ( -3.019 2.978 -4.488) 6.174 14.231 ( 3.153 -7.015 5.474) 9.440 14.474 ( -3.308 -13.282 -4.091) 14.287 16.464 ( 0.350 12.867 0.352) 12.877 16.481 ( -0.067 13.387 -0.327) 13.391 16.848 ( 0.589 -5.854 0.694) 5.924 16.894 ( -0.086 -6.925 -0.624) 6.953 20.229 ( -0.521 29.973 -0.107) 29.978 20.281 ( -0.965 26.842 -0.053) 26.860 21.349 ( -0.014 -26.923 0.096) 26.924 21.365 ( -0.000 -27.520 0.043) 27.520 27.219 ( -0.264 20.148 2.492) 20.304 27.584 ( -5.571 10.745 -4.583) 12.942 27.906 ( 1.849 -13.546 3.689) 14.161 28.092 ( -1.509 -13.082 -2.058) 13.328 31.630 ( 1.466 11.632 1.418) 11.810 31.714 ( 0.152 8.111 -1.010) 8.175 32.119 ( 0.979 -12.449 0.628) 12.503 32.146 ( 0.089 -12.375 -0.592) 12.389 36.552 ( -0.907 1.833 1.153) 2.348 36.578 ( -2.881 -0.101 -0.908) 3.022 36.647 ( -0.808 1.514 -0.746) 1.871 36.806 ( 3.978 -6.147 0.430) 7.334 ======================= Grid point 47 (28/126) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.352 2.579 3.549) 4.978 1.495 ( -3.735 8.837 -2.836) 10.004 1.509 ( -0.267 -4.462 2.647) 5.195 1.783 ( -2.338 -6.280 -2.307) 7.088 1.867 ( -2.676 -2.608 1.192) 3.922 1.897 ( -4.173 -1.675 2.141) 4.980 2.053 ( -2.388 7.138 -2.266) 7.861 2.234 ( -6.249 -3.944 -2.199) 7.710 2.442 ( -2.176 4.599 -1.746) 5.379 2.506 ( -0.208 3.772 1.599) 4.102 2.539 ( -3.337 5.199 -1.614) 6.385 2.583 ( 1.669 7.085 0.535) 7.298 2.863 ( 2.389 1.577 -2.090) 3.544 2.944 ( -4.213 0.676 -3.899) 5.780 3.091 ( 2.714 5.218 5.016) 7.730 3.157 ( -3.714 5.155 -0.616) 6.384 3.282 ( 3.064 3.145 1.832) 4.758 3.389 ( 2.045 0.200 0.117) 2.058 3.524 ( 1.429 -7.644 2.192) 8.080 3.602 ( -0.054 -7.115 -2.208) 7.450 4.619 ( 2.850 6.455 1.275) 7.170 4.709 ( 0.715 5.522 -1.114) 5.679 4.860 ( 3.780 -4.902 2.132) 6.547 4.917 ( 1.291 -4.550 -2.153) 5.197 8.180 ( 0.853 13.928 1.393) 14.023 8.248 ( -0.823 21.350 0.977) 21.388 8.264 ( -0.258 25.155 0.735) 25.167 8.341 ( -2.481 10.258 -2.890) 10.942 9.038 ( -0.125 13.736 1.531) 13.822 9.120 ( -2.404 11.448 -1.560) 11.801 10.239 ( -0.600 7.693 -0.938) 7.773 10.298 ( 0.916 5.851 1.509) 6.111 10.646 ( 0.013 -42.792 -0.088) 42.792 10.669 ( -0.063 -41.350 -0.026) 41.350 10.759 ( 0.129 -14.779 0.358) 14.784 10.782 ( -0.128 -14.009 -0.144) 14.010 13.923 ( -1.727 3.860 -2.622) 4.976 13.936 ( 1.472 3.604 2.578) 4.670 14.334 ( 2.140 -8.997 4.732) 10.388 14.350 ( -4.216 -10.337 -5.227) 12.327 16.470 ( -0.028 13.099 -0.372) 13.105 16.483 ( 0.515 13.216 0.458) 13.233 16.861 ( 0.147 -5.943 -0.263) 5.951 16.893 ( 0.420 -6.911 0.286) 6.929 20.216 ( -0.626 30.114 -0.139) 30.121 20.259 ( -1.115 28.068 -0.045) 28.090 21.350 ( -0.001 -26.922 0.150) 26.922 21.363 ( -0.151 -28.113 -0.025) 28.114 27.239 ( -0.393 20.979 3.640) 21.296 27.428 ( -6.026 15.674 -4.438) 17.369 27.967 ( 1.215 -14.728 3.095) 15.099 28.034 ( -1.994 -13.853 -2.747) 14.262 31.663 ( 0.793 10.795 -0.120) 10.824 31.722 ( 1.183 8.101 0.679) 8.215 32.141 ( 0.116 -12.222 -0.883) 12.255 32.147 ( 1.210 -12.320 0.747) 12.402 36.496 ( -3.582 2.316 -0.711) 4.324 36.551 ( -1.022 -0.366 1.917) 2.203 36.649 ( 1.422 2.391 -1.806) 3.316 36.871 ( 2.371 -8.379 0.528) 8.724 ======================= Grid point 48 (29/126) ======================= q-point: ( 0.38 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -2.506 3.531 1.117) 4.472 1.416 ( -1.659 3.279 0.555) 3.716 1.485 ( -2.210 -3.096 -1.356) 4.038 1.717 ( -2.488 -9.596 -2.618) 10.253 1.810 ( -4.581 -1.381 1.664) 5.066 1.886 ( 0.398 -3.102 3.050) 4.368 2.007 ( -0.299 5.675 -1.884) 5.987 2.105 ( -4.374 -1.086 -1.967) 4.918 2.363 ( -2.843 3.337 -2.210) 4.909 2.462 ( -1.295 5.078 -0.196) 5.244 2.553 ( 0.571 1.689 0.814) 1.960 2.579 ( -2.888 2.296 -1.412) 3.951 2.846 ( -0.595 6.197 -1.835) 6.490 2.912 ( 3.114 1.484 -1.746) 3.866 3.079 ( -3.339 4.668 -0.651) 5.776 3.198 ( 3.020 3.808 6.079) 7.783 3.345 ( 1.122 -0.334 1.170) 1.655 3.416 ( 1.065 3.712 0.256) 3.870 3.505 ( -0.844 -6.913 -1.998) 7.246 3.656 ( 2.310 -4.706 2.193) 5.683 4.612 ( -0.441 7.102 -3.251) 7.823 4.773 ( 2.974 6.162 2.624) 7.328 4.884 ( 0.065 -5.130 -1.920) 5.478 4.975 ( 2.970 -2.964 1.682) 4.520 8.207 ( 0.832 19.574 0.025) 19.592 8.229 ( -0.687 14.987 0.370) 15.008 8.271 ( -0.635 18.883 -0.512) 18.901 8.282 ( -1.428 13.974 0.409) 14.053 9.043 ( -0.436 13.031 0.446) 13.045 9.071 ( -1.307 13.593 -0.569) 13.667 10.204 ( -0.963 8.617 -1.655) 8.827 10.342 ( 1.119 5.262 2.110) 5.779 10.645 ( -0.042 -43.286 -0.153) 43.287 10.670 ( 0.080 -41.919 0.201) 41.919 10.740 ( -0.658 -14.879 -1.028) 14.929 10.803 ( 0.692 -13.371 1.208) 13.444 13.848 ( -1.750 3.898 -2.967) 5.203 14.020 ( 2.524 2.302 4.242) 5.446 14.214 ( -3.996 -7.250 -5.422) 9.896 14.413 ( 1.386 -10.092 3.482) 10.765 16.464 ( -0.120 13.035 -0.408) 13.042 16.499 ( 0.522 13.326 0.505) 13.346 16.852 ( -0.228 -5.864 -0.769) 5.918 16.910 ( 0.535 -6.905 0.735) 6.965 20.205 ( -0.328 30.210 -0.084) 30.212 20.241 ( -0.663 29.028 -0.018) 29.036 21.351 ( -0.085 -27.300 0.045) 27.300 21.360 ( -0.108 -28.160 -0.008) 28.160 27.260 ( -0.295 22.106 2.691) 22.271 27.302 ( -3.664 19.533 -2.588) 20.041 27.963 ( -1.360 -14.085 -2.041) 14.297 28.020 ( 0.567 -16.273 1.730) 16.375 31.665 ( 0.219 10.996 -0.892) 11.035 31.757 ( 0.997 7.622 1.284) 7.793 32.136 ( 0.078 -12.170 -0.678) 12.189 32.172 ( 0.752 -12.171 0.471) 12.204 36.437 ( -2.002 3.794 -0.365) 4.305 36.549 ( -0.626 -2.148 1.338) 2.607 36.661 ( 1.111 2.669 -1.419) 3.220 36.907 ( 0.982 -9.556 0.414) 9.615 ======================= Grid point 49 (30/126) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 2.878 0.000) 2.878 1.422 ( 0.000 -0.543 -0.000) 0.543 1.444 ( 0.000 -1.576 0.000) 1.576 1.675 ( 0.000 -10.905 0.000) 10.905 1.755 ( -0.000 -0.760 -0.000) 0.760 1.907 ( 0.000 0.279 0.000) 0.279 2.012 ( 0.000 1.359 0.000) 1.359 2.052 ( 0.000 0.716 -0.000) 0.716 2.333 ( 0.000 -0.013 0.000) 0.013 2.454 ( 0.000 6.290 0.000) 6.290 2.496 ( -0.000 0.284 -0.000) 0.284 2.572 ( 0.000 1.666 -0.000) 1.666 2.854 ( -0.000 9.388 0.000) 9.388 2.938 ( 0.000 1.823 0.000) 1.823 3.035 ( 0.000 4.432 -0.000) 4.432 3.280 ( 0.000 3.848 0.000) 3.848 3.334 ( 0.000 -4.213 0.000) 4.213 3.440 ( 0.000 7.476 0.000) 7.476 3.482 ( 0.000 -6.834 0.000) 6.834 3.689 ( 0.000 -4.803 0.000) 4.803 4.591 ( 0.000 7.745 0.000) 7.745 4.820 ( -0.000 6.797 0.000) 6.797 4.869 ( 0.000 -5.661 0.000) 5.661 5.013 ( 0.000 -2.491 0.000) 2.491 8.212 ( 0.000 26.049 0.000) 26.049 8.222 ( 0.000 8.211 0.000) 8.211 8.263 ( -0.000 7.407 0.000) 7.407 8.274 ( 0.000 24.201 0.000) 24.201 9.035 ( 0.000 13.127 0.000) 13.127 9.062 ( 0.000 14.201 0.000) 14.201 10.187 ( 0.000 9.021 0.000) 9.021 10.363 ( 0.000 4.992 0.000) 4.992 10.644 ( 0.000 -43.623 0.000) 43.623 10.672 ( 0.000 -42.103 0.000) 42.103 10.729 ( 0.000 -14.801 0.000) 14.801 10.815 ( 0.000 -13.037 0.000) 13.037 13.817 ( 0.000 3.838 0.000) 3.838 14.090 ( 0.000 4.515 0.000) 4.515 14.124 ( -0.000 -8.889 -0.000) 8.889 14.441 ( 0.000 -10.403 0.000) 10.403 16.461 ( 0.000 12.994 0.000) 12.994 16.507 ( 0.000 13.385 0.000) 13.385 16.846 ( 0.000 -5.775 0.000) 5.775 16.919 ( 0.000 -6.921 0.000) 6.921 20.202 ( 0.000 30.197 0.000) 30.197 20.235 ( 0.000 29.405 0.000) 29.405 21.349 ( 0.000 -27.832 0.000) 27.832 21.359 ( 0.000 -27.768 0.000) 27.768 27.254 ( 0.000 21.031 0.000) 21.031 27.269 ( 0.000 22.531 0.000) 22.531 27.939 ( 0.000 -14.448 0.000) 14.448 28.034 ( 0.000 -16.644 0.000) 16.644 31.663 ( 0.000 11.212 0.000) 11.212 31.772 ( 0.000 7.419 0.000) 7.419 32.134 ( 0.000 -12.156 0.000) 12.156 32.182 ( 0.000 -12.121 0.000) 12.121 36.416 ( 0.000 4.260 0.000) 4.260 36.549 ( 0.000 -2.881 -0.000) 2.881 36.666 ( 0.000 2.778 0.000) 2.778 36.917 ( 0.000 -9.912 0.000) 9.912 ======================= Grid point 54 (31/126) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 -1.396 0.000) 1.396 1.441 ( 0.000 1.396 0.000) 1.396 1.746 ( 0.000 -7.440 0.000) 7.440 1.746 ( 0.000 7.440 0.000) 7.440 1.869 ( 0.000 -0.927 0.000) 0.927 1.869 ( 0.000 0.927 0.000) 0.927 2.356 ( 0.000 -1.993 0.000) 1.993 2.356 ( 0.000 1.993 0.000) 1.993 2.570 ( 0.000 -2.260 0.000) 2.260 2.570 ( 0.000 2.260 0.000) 2.260 2.642 ( 0.000 -5.002 0.000) 5.002 2.642 ( 0.000 5.002 0.000) 5.002 3.005 ( 0.000 -3.608 0.000) 3.608 3.005 ( 0.000 3.608 0.000) 3.608 3.090 ( 0.000 -8.501 0.000) 8.501 3.090 ( 0.000 8.501 0.000) 8.501 3.327 ( 0.000 -0.456 0.000) 0.456 3.327 ( 0.000 0.456 0.000) 0.456 3.464 ( 0.000 -13.519 0.000) 13.519 3.464 ( 0.000 13.519 0.000) 13.519 4.589 ( 0.000 -7.069 0.000) 7.069 4.589 ( 0.000 7.069 0.000) 7.069 4.840 ( 0.000 -4.294 0.000) 4.294 4.840 ( 0.000 4.294 0.000) 4.294 8.327 ( 0.000 -5.903 0.000) 5.903 8.327 ( 0.000 5.903 0.000) 5.903 8.551 ( 0.000 -1.417 0.000) 1.417 8.551 ( 0.000 1.417 0.000) 1.417 9.681 ( 0.000 -44.772 0.000) 44.772 9.681 ( 0.000 44.772 0.000) 44.772 9.749 ( 0.000 -41.796 0.000) 41.796 9.749 ( 0.000 41.796 0.000) 41.796 10.455 ( 0.000 -11.832 0.000) 11.832 10.455 ( 0.000 11.832 0.000) 11.832 10.584 ( 0.000 -10.395 0.000) 10.395 10.584 ( 0.000 10.395 0.000) 10.395 13.965 ( 0.000 -8.873 0.000) 8.873 13.965 ( 0.000 8.873 0.000) 8.873 14.268 ( 0.000 -11.385 0.000) 11.385 14.268 ( 0.000 11.385 0.000) 11.385 16.683 ( 0.000 -9.889 0.000) 9.889 16.683 ( 0.000 9.889 0.000) 9.889 16.723 ( 0.000 -10.771 0.000) 10.771 16.723 ( 0.000 10.771 0.000) 10.771 20.812 ( 0.000 -28.417 0.000) 28.417 20.812 ( 0.000 28.417 0.000) 28.417 20.817 ( 0.000 -27.632 0.000) 27.632 20.817 ( 0.000 27.632 0.000) 27.632 27.565 ( 0.000 -16.418 0.000) 16.418 27.565 ( 0.000 16.418 0.000) 16.418 27.876 ( 0.000 -11.439 0.000) 11.439 27.876 ( 0.000 11.439 0.000) 11.439 31.856 ( 0.000 -12.817 0.000) 12.817 31.856 ( 0.000 12.817 0.000) 12.817 31.911 ( 0.000 -11.301 0.000) 11.301 31.911 ( 0.000 11.301 0.000) 11.301 36.597 ( 0.000 -1.258 0.000) 1.258 36.597 ( 0.000 1.258 0.000) 1.258 36.685 ( 0.000 -0.422 0.000) 0.422 36.685 ( 0.000 0.422 0.000) 0.422 ======================= Grid point 56 (32/126) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.828 -1.566 2.572) 3.123 1.445 ( -0.828 1.566 2.572) 3.123 1.730 ( -1.519 -6.647 -1.321) 6.945 1.730 ( -1.519 6.647 -1.321) 6.945 1.865 ( -1.117 -1.226 1.430) 2.190 1.865 ( -1.117 1.226 1.430) 2.190 2.289 ( -5.786 -3.816 -1.170) 7.029 2.289 ( -5.786 3.816 -1.170) 7.029 2.540 ( -1.797 -0.361 -0.295) 1.857 2.540 ( -1.797 0.361 -0.295) 1.857 2.649 ( 0.947 -2.876 -1.056) 3.206 2.649 ( 0.947 2.876 -1.056) 3.206 2.980 ( -1.910 -4.693 -2.150) 5.504 2.980 ( -1.910 4.693 -2.150) 5.504 3.150 ( 3.249 -9.463 4.298) 10.889 3.150 ( 3.249 9.463 4.298) 10.889 3.310 ( -0.851 -1.640 -2.123) 2.815 3.310 ( -0.851 1.640 -2.123) 2.815 3.460 ( 0.488 -8.540 -0.385) 8.563 3.460 ( 0.488 8.540 -0.385) 8.563 4.642 ( 3.768 -6.480 2.923) 8.046 4.642 ( 3.768 6.480 2.923) 8.046 4.829 ( 0.054 -4.758 -2.424) 5.340 4.829 ( 0.054 4.758 -2.424) 5.340 8.332 ( -0.061 -5.758 1.289) 5.901 8.332 ( -0.061 5.758 1.289) 5.901 8.529 ( -1.707 -1.947 -1.162) 2.839 8.529 ( -1.707 1.947 -1.162) 2.839 9.683 ( -0.010 -42.190 0.329) 42.191 9.683 ( -0.010 42.190 0.329) 42.191 9.743 ( -0.404 -39.768 -0.407) 39.772 9.743 ( -0.404 39.768 -0.407) 39.772 10.473 ( 1.002 -11.608 1.592) 11.760 10.473 ( 1.002 11.608 1.592) 11.760 10.566 ( -1.045 -10.623 -1.523) 10.782 10.566 ( -1.045 10.623 -1.523) 10.782 13.985 ( 0.884 -7.182 1.746) 7.444 13.985 ( 0.884 7.182 1.746) 7.444 14.244 ( -1.423 -9.060 -1.668) 9.322 14.244 ( -1.423 9.060 -1.668) 9.322 16.688 ( 0.240 -8.812 0.587) 8.835 16.688 ( 0.240 8.812 0.587) 8.835 16.721 ( 0.148 -9.541 -0.572) 9.560 16.721 ( 0.148 9.541 -0.572) 9.560 20.800 ( -0.457 -8.425 -0.771) 8.473 20.800 ( -0.457 8.425 -0.771) 8.473 20.823 ( -0.113 -7.255 0.761) 7.296 20.823 ( -0.113 7.255 0.761) 7.296 27.573 ( 0.320 -15.496 1.174) 15.543 27.573 ( 0.320 15.496 1.174) 15.544 27.847 ( -2.285 -11.113 -1.304) 11.420 27.847 ( -2.285 11.113 -1.304) 11.420 31.865 ( 0.595 -9.349 0.347) 9.374 31.865 ( 0.595 9.349 0.347) 9.374 31.916 ( 0.630 -8.067 -0.233) 8.095 31.916 ( 0.630 8.067 -0.233) 8.095 36.573 ( -2.044 -0.515 -0.013) 2.108 36.573 ( -2.044 0.515 -0.013) 2.108 36.704 ( 1.507 -4.190 -0.000) 4.453 36.704 ( 1.507 4.190 -0.000) 4.453 ======================= Grid point 58 (33/126) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -1.715 -2.448 3.130) 4.328 1.445 ( -1.715 2.448 3.130) 4.328 1.656 ( -3.997 -7.136 -3.429) 8.869 1.656 ( -3.997 7.136 -3.429) 8.869 1.841 ( -3.638 -1.890 3.631) 5.476 1.841 ( -3.638 1.890 3.631) 5.476 2.161 ( -5.016 -4.070 -1.906) 6.735 2.161 ( -5.016 4.070 -1.906) 6.735 2.523 ( 0.047 -1.907 -0.041) 1.908 2.523 ( 0.047 1.907 -0.041) 1.908 2.636 ( -1.735 -3.020 -2.968) 4.576 2.636 ( -1.735 3.020 -2.968) 4.576 2.913 ( -1.298 -3.217 -2.947) 4.552 2.913 ( -1.298 3.217 -2.947) 4.552 3.223 ( -1.127 -4.561 3.843) 6.069 3.223 ( -1.127 4.561 3.843) 6.069 3.293 ( 1.933 -4.413 -0.273) 4.825 3.293 ( 1.933 4.413 -0.273) 4.825 3.492 ( 2.589 -4.092 0.579) 4.876 3.492 ( 2.589 4.092 0.579) 4.876 4.745 ( 3.163 -6.242 1.143) 7.090 4.745 ( 3.163 6.242 1.143) 7.090 4.819 ( 1.851 -5.338 -1.085) 5.754 4.819 ( 1.851 5.338 -1.085) 5.754 8.344 ( -0.042 -4.951 1.757) 5.254 8.344 ( -0.042 4.951 1.757) 5.254 8.474 ( -2.581 -2.567 -1.606) 3.979 8.474 ( -2.581 2.567 -1.606) 3.979 9.685 ( -0.092 -35.366 0.409) 35.368 9.685 ( -0.092 35.366 0.409) 35.368 9.731 ( -0.395 -34.383 -0.477) 34.389 9.731 ( -0.395 34.383 -0.477) 34.389 10.500 ( -0.196 -11.516 -0.071) 11.518 10.500 ( -0.196 11.516 -0.071) 11.518 10.540 ( 0.236 -10.554 0.371) 10.564 10.540 ( 0.236 10.554 0.371) 10.564 14.003 ( -0.384 -0.608 -0.151) 0.735 14.003 ( -0.384 0.608 -0.151) 0.735 14.211 ( -0.588 -0.415 -0.033) 0.721 14.211 ( -0.588 0.415 -0.033) 0.721 16.695 ( -0.053 -6.414 0.242) 6.419 16.695 ( -0.053 6.414 0.242) 6.419 16.724 ( 0.602 -6.879 -0.204) 6.909 16.724 ( 0.602 6.879 -0.204) 6.909 20.787 ( -0.333 -8.674 -0.423) 8.691 20.787 ( -0.333 8.674 -0.423) 8.691 20.823 ( -0.402 -7.337 0.401) 7.359 20.823 ( -0.402 7.337 0.401) 7.359 27.594 ( 0.545 -11.551 1.507) 11.662 27.594 ( 0.545 11.551 1.507) 11.662 27.778 ( -3.189 -8.446 -1.640) 9.176 27.778 ( -3.189 8.446 -1.640) 9.176 31.880 ( 0.664 -5.100 0.142) 5.145 31.880 ( 0.664 5.100 0.142) 5.145 31.930 ( 0.944 -3.706 -0.029) 3.825 31.930 ( 0.944 3.706 -0.029) 3.825 36.532 ( -1.991 -1.417 -0.011) 2.444 36.532 ( -1.991 1.417 -0.011) 2.444 36.732 ( 1.245 -5.788 -0.004) 5.921 36.732 ( 1.245 5.788 -0.004) 5.921 ======================= Grid point 60 (34/126) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.183 -2.811 1.937) 4.052 1.428 ( -2.183 2.811 1.937) 4.052 1.542 ( -4.122 -8.073 -2.628) 9.438 1.542 ( -4.122 8.073 -2.628) 9.438 1.801 ( -2.911 -2.131 2.866) 4.607 1.801 ( -2.911 2.131 2.865) 4.607 2.090 ( -1.265 -2.122 -0.865) 2.617 2.090 ( -1.265 2.122 -0.865) 2.617 2.498 ( -3.502 -6.321 -4.363) 8.442 2.498 ( -3.502 6.321 -4.363) 8.442 2.554 ( -1.063 -0.711 -0.677) 1.447 2.554 ( -1.063 0.711 -0.677) 1.447 2.918 ( 2.530 -1.334 -1.009) 3.033 2.918 ( 2.530 1.335 -1.009) 3.033 3.205 ( -2.325 -6.001 2.817) 7.025 3.205 ( -2.325 6.001 2.817) 7.025 3.342 ( 1.814 -4.668 0.373) 5.022 3.342 ( 1.814 4.668 0.373) 5.022 3.550 ( 2.177 -5.889 1.165) 6.386 3.550 ( 2.177 5.889 1.165) 6.386 4.751 ( 0.127 -6.807 -2.503) 7.254 4.751 ( 0.127 6.807 -2.503) 7.254 4.895 ( 3.209 -4.902 2.140) 6.238 4.895 ( 3.209 4.902 2.140) 6.238 8.356 ( -0.013 -2.581 0.972) 2.758 8.356 ( -0.013 2.581 0.972) 2.758 8.417 ( -1.923 -2.015 -0.879) 2.921 8.417 ( -1.923 2.015 -0.879) 2.921 9.686 ( -0.132 -38.051 0.215) 38.052 9.686 ( -0.132 38.051 0.215) 38.052 9.722 ( -0.156 -38.188 -0.244) 38.190 9.722 ( -0.156 38.188 -0.244) 38.189 10.475 ( -0.801 -12.025 -1.232) 12.115 10.475 ( -0.801 12.025 -1.232) 12.115 10.570 ( 0.897 -10.315 1.582) 10.474 10.570 ( 0.897 10.315 1.582) 10.474 13.970 ( -1.353 -7.276 -1.881) 7.636 13.970 ( -1.353 7.276 -1.881) 7.636 14.223 ( 0.531 -8.018 1.552) 8.184 14.223 ( 0.531 8.018 1.552) 8.184 16.692 ( -0.162 -9.448 -0.228) 9.452 16.692 ( -0.162 9.448 -0.228) 9.452 16.737 ( 0.548 -9.971 0.267) 9.990 16.737 ( 0.548 9.971 0.267) 9.990 20.782 ( 0.067 -16.420 -0.020) 16.420 20.782 ( 0.067 16.420 -0.020) 16.420 20.815 ( -0.538 -15.695 -0.000) 15.704 20.815 ( -0.538 15.695 -0.000) 15.704 27.616 ( 0.659 -1.791 0.850) 2.089 27.616 ( 0.659 1.791 0.850) 2.089 27.711 ( -2.442 -3.522 -0.914) 4.382 27.711 ( -2.442 3.522 -0.914) 4.382 31.891 ( 0.422 -10.235 -0.074) 10.244 31.891 ( 0.422 10.235 -0.074) 10.244 31.947 ( 0.637 -8.952 0.125) 8.976 31.947 ( 0.637 8.952 0.125) 8.976 36.501 ( -1.160 -2.791 -0.005) 3.022 36.501 ( -1.160 2.791 -0.005) 3.022 36.750 ( 0.642 -6.344 -0.001) 6.376 36.750 ( 0.642 6.344 -0.001) 6.376 ======================= Grid point 62 (35/126) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 -2.379 0.000) 2.379 1.408 ( 0.000 2.379 0.000) 2.379 1.491 ( 0.000 -7.343 0.000) 7.343 1.491 ( -0.000 7.343 0.000) 7.343 1.784 ( -0.000 -4.755 -0.000) 4.755 1.784 ( 0.000 4.755 0.000) 4.755 2.080 ( 0.000 -0.586 -0.000) 0.586 2.080 ( 0.000 0.586 0.000) 0.586 2.422 ( 0.000 -7.038 0.000) 7.038 2.422 ( 0.000 7.038 -0.000) 7.038 2.552 ( -0.000 -3.311 0.000) 3.311 2.552 ( 0.000 3.311 0.000) 3.311 2.945 ( -0.000 -1.262 0.000) 1.262 2.945 ( -0.000 1.263 0.000) 1.263 3.194 ( 0.000 -9.541 -0.000) 9.541 3.194 ( 0.000 9.541 0.000) 9.541 3.360 ( 0.000 -4.813 0.000) 4.813 3.360 ( 0.000 4.813 0.000) 4.813 3.578 ( 0.000 -6.445 0.000) 6.445 3.578 ( 0.000 6.445 0.000) 6.445 4.740 ( 0.000 -7.289 0.000) 7.289 4.740 ( 0.000 7.289 0.000) 7.289 4.938 ( 0.000 -5.029 0.000) 5.029 4.938 ( 0.000 5.029 0.000) 5.029 8.359 ( -0.000 -4.263 -0.000) 4.263 8.359 ( 0.000 4.263 0.000) 4.263 8.395 ( 0.000 -4.708 0.000) 4.708 8.395 ( 0.000 4.708 0.000) 4.708 9.685 ( 0.000 -44.862 0.000) 44.862 9.685 ( 0.000 44.862 0.000) 44.862 9.720 ( 0.000 -45.030 0.000) 45.030 9.720 ( 0.000 45.030 0.000) 45.030 10.461 ( 0.000 -12.185 0.000) 12.185 10.461 ( 0.000 12.185 0.000) 12.185 10.586 ( 0.000 -10.198 0.000) 10.198 10.586 ( 0.000 10.198 0.000) 10.198 13.946 ( 0.000 -8.522 0.000) 8.522 13.946 ( 0.000 8.522 0.000) 8.522 14.237 ( 0.000 -9.704 0.000) 9.704 14.237 ( 0.000 9.704 0.000) 9.704 16.689 ( 0.000 -10.052 -0.000) 10.052 16.689 ( 0.000 10.052 0.000) 10.052 16.744 ( 0.000 -10.680 -0.000) 10.680 16.744 ( 0.000 10.680 0.000) 10.680 20.785 ( 0.000 -29.244 0.000) 29.244 20.785 ( 0.000 29.244 0.000) 29.244 20.808 ( 0.000 -28.797 0.000) 28.797 20.808 ( -0.000 28.798 -0.000) 28.798 27.628 ( 0.000 -17.317 0.000) 17.317 27.628 ( -0.000 17.317 -0.000) 17.317 27.681 ( 0.000 -19.432 0.000) 19.432 27.681 ( -0.000 19.432 -0.000) 19.432 31.894 ( 0.000 -12.163 0.000) 12.163 31.894 ( 0.000 12.163 0.000) 12.163 31.954 ( 0.000 -10.769 0.000) 10.769 31.954 ( 0.000 10.769 -0.000) 10.769 36.490 ( 0.000 -3.287 0.000) 3.287 36.490 ( 0.000 3.287 0.000) 3.287 36.756 ( 0.000 -6.462 0.000) 6.462 36.756 ( 0.000 6.462 0.000) 6.462 ======================= Grid point 117 (36/126) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -8.709 0.000 19.121) 21.011 0.498 ( 14.787 0.000 23.958) 28.153 0.759 ( 1.007 0.000 36.328) 36.341 1.165 ( 6.543 0.000 -15.053) 16.413 1.463 ( -9.339 0.000 -19.865) 21.951 1.804 ( -2.381 0.000 1.573) 2.854 1.878 ( -0.877 0.000 -3.944) 4.040 2.029 ( -10.525 0.000 0.797) 10.556 2.172 ( 6.958 0.000 -2.994) 7.575 2.225 ( 6.425 0.000 11.235) 12.942 2.328 ( 0.482 0.000 -10.960) 10.971 2.367 ( 1.706 0.000 -2.215) 2.796 2.402 ( 0.857 0.000 -3.025) 3.144 2.581 ( -3.277 0.000 -5.311) 6.241 2.756 ( 0.264 0.000 -2.025) 2.042 2.886 ( 0.742 0.000 -4.357) 4.420 3.117 ( 4.827 0.000 3.402) 5.905 3.244 ( -2.812 0.000 -1.203) 3.058 3.489 ( 0.051 0.000 19.671) 19.671 4.052 ( -1.407 0.000 -7.116) 7.253 4.275 ( 2.416 0.000 5.849) 6.329 4.561 ( -11.645 0.000 -5.112) 12.717 5.014 ( 1.171 0.000 2.522) 2.780 5.113 ( -0.813 0.000 -1.447) 1.660 6.374 ( 0.043 0.000 0.662) 0.663 6.417 ( 0.031 0.000 -0.979) 0.980 7.609 ( 0.150 0.000 2.053) 2.059 7.714 ( 0.285 0.000 -1.923) 1.944 9.383 ( 0.889 0.000 0.676) 1.117 9.430 ( -1.066 0.000 -1.242) 1.637 9.540 ( -2.984 0.000 0.711) 3.068 9.559 ( 0.749 0.000 -0.146) 0.763 11.992 ( -0.951 0.000 0.112) 0.958 11.998 ( 0.834 0.000 -0.126) 0.844 12.543 ( 8.622 0.000 0.759) 8.655 12.583 ( -1.608 0.000 -0.758) 1.778 13.508 ( -0.230 0.000 0.381) 0.445 13.528 ( 0.221 0.000 -0.381) 0.441 15.323 ( -0.133 0.000 0.167) 0.213 15.332 ( 0.156 0.000 -0.161) 0.224 15.875 ( 24.220 0.000 0.125) 24.220 15.879 ( -3.771 0.000 -0.019) 3.771 16.186 ( 0.598 0.000 0.028) 0.599 16.189 ( -0.138 0.000 -0.100) 0.170 18.474 ( -0.092 0.000 0.420) 0.430 18.496 ( 0.122 0.000 -0.422) 0.439 22.995 ( 2.900 0.000 0.128) 2.903 23.001 ( -15.404 0.000 -0.113) 15.405 24.986 ( -0.080 0.000 0.087) 0.119 24.991 ( 0.078 0.000 -0.099) 0.126 28.860 ( -2.328 0.000 0.199) 2.337 28.871 ( 13.394 0.000 -0.207) 13.396 32.109 ( -16.675 0.000 1.208) 16.718 32.174 ( 91.028 0.000 -1.235) 91.036 32.903 ( 0.142 0.000 0.152) 0.208 32.910 ( -0.152 0.000 -0.099) 0.182 36.342 ( 4.173 0.000 3.564) 5.488 36.586 ( -10.671 0.000 -6.908) 12.711 36.980 ( 21.722 0.000 5.945) 22.521 37.172 ( -68.184 0.000 -2.569) 68.232 ======================= Grid point 118 (37/126) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 7.530 0.000 14.716) 16.531 0.978 ( 14.997 0.000 20.202) 25.160 1.100 ( -7.619 0.000 -23.051) 24.278 1.183 ( 6.601 0.000 -17.571) 18.770 1.320 ( 20.941 0.000 27.834) 34.831 1.763 ( -0.946 0.000 -4.167) 4.273 1.788 ( -1.000 0.000 1.844) 2.098 1.941 ( -0.472 0.000 0.442) 0.646 2.225 ( 6.738 0.000 -13.371) 14.973 2.293 ( -2.185 0.000 -2.792) 3.546 2.316 ( -3.782 0.000 -2.201) 4.375 2.389 ( 0.394 0.000 -2.303) 2.337 2.435 ( 3.915 0.000 7.129) 8.133 2.481 ( -2.635 0.000 -2.563) 3.676 2.681 ( -6.866 0.000 -2.451) 7.290 2.813 ( -0.070 0.000 -3.874) 3.875 3.187 ( -1.242 0.000 -0.434) 1.316 3.244 ( 3.256 0.000 1.931) 3.785 3.628 ( -1.741 0.000 17.201) 17.289 3.947 ( -5.629 0.000 -8.561) 10.246 4.345 ( -6.329 0.000 -4.543) 7.791 4.345 ( -1.578 0.000 8.051) 8.204 5.066 ( 1.769 0.000 2.670) 3.203 5.076 ( -1.412 0.000 -2.448) 2.826 6.392 ( 1.047 0.000 0.799) 1.317 6.416 ( 0.805 0.000 -1.050) 1.323 7.628 ( 0.014 0.000 2.186) 2.186 7.706 ( 0.694 0.000 -2.195) 2.303 9.418 ( -0.209 0.000 -1.288) 1.305 9.447 ( 4.758 0.000 1.942) 5.139 9.516 ( -0.605 0.000 0.543) 0.812 9.574 ( 0.628 0.000 0.290) 0.692 11.975 ( -0.305 0.000 -0.459) 0.552 12.008 ( -0.092 0.000 -0.046) 0.103 12.514 ( -3.765 0.000 -3.094) 4.873 12.601 ( 0.282 0.000 0.432) 0.516 13.506 ( 0.069 0.000 0.154) 0.169 13.521 ( -0.627 0.000 -0.442) 0.767 15.319 ( -0.274 0.000 0.173) 0.324 15.330 ( -0.213 0.000 -0.141) 0.255 15.747 ( -7.340 0.000 -5.102) 8.939 16.028 ( 0.363 0.000 -2.205) 2.235 16.158 ( -2.375 0.000 0.768) 2.496 16.170 ( -1.246 0.000 -0.026) 1.247 18.496 ( 2.065 0.000 0.824) 2.223 18.499 ( -0.138 0.000 -0.117) 0.181 22.903 ( 0.189 0.000 0.746) 0.770 23.084 ( 4.188 0.000 3.113) 5.219 24.985 ( -0.002 0.000 0.033) 0.034 24.990 ( -0.095 0.000 -0.098) 0.136 28.776 ( -4.936 0.000 -3.112) 5.836 28.935 ( -0.727 0.000 -0.790) 1.073 31.650 ( -20.919 0.000 -13.179) 24.724 32.710 ( -5.797 0.000 -7.102) 9.168 32.932 ( 1.887 0.000 -0.524) 1.959 32.982 ( 0.694 0.000 1.396) 1.559 36.339 ( -9.024 0.000 -3.904) 9.832 36.482 ( 5.233 0.000 6.412) 8.276 36.601 ( -0.904 0.000 -1.626) 1.861 37.508 ( 21.248 0.000 13.155) 24.991 ======================= Grid point 119 (38/126) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 5.147 0.000 -11.131) 12.264 0.849 ( 10.494 0.000 1.171) 10.559 1.113 ( 6.267 0.000 -15.998) 17.182 1.422 ( 13.096 0.000 17.745) 22.054 1.772 ( -0.227 0.000 2.693) 2.702 1.832 ( 4.787 0.000 0.721) 4.841 1.942 ( 18.770 0.000 17.199) 25.458 1.970 ( 1.827 0.000 2.907) 3.433 2.128 ( -7.994 0.000 -7.552) 10.998 2.168 ( -4.810 0.000 -7.305) 8.747 2.270 ( 4.170 0.000 -7.260) 8.372 2.335 ( -5.596 0.000 3.521) 6.612 2.405 ( -2.442 0.000 -5.566) 6.078 2.520 ( -1.153 0.000 -7.028) 7.122 2.577 ( 5.181 0.000 5.212) 7.350 2.819 ( 3.001 0.000 -3.677) 4.746 3.186 ( -0.730 0.000 2.126) 2.247 3.287 ( 0.203 0.000 0.553) 0.589 3.676 ( -14.199 0.000 -8.532) 16.565 3.682 ( -7.556 0.000 15.036) 16.828 4.223 ( -2.445 0.000 -5.674) 6.179 4.346 ( -3.968 0.000 6.103) 7.279 5.025 ( -1.464 0.000 -2.327) 2.749 5.115 ( 1.234 0.000 1.618) 2.035 6.422 ( 1.277 0.000 0.665) 1.440 6.430 ( 1.342 0.000 -0.800) 1.563 7.646 ( -0.126 0.000 2.181) 2.185 7.703 ( 0.879 0.000 -2.052) 2.232 9.400 ( -0.700 0.000 -0.168) 0.720 9.514 ( -0.018 0.000 0.175) 0.176 9.563 ( 2.763 0.000 0.511) 2.810 9.603 ( 3.635 0.000 2.170) 4.234 11.975 ( 0.603 0.000 -0.489) 0.776 11.990 ( -0.985 0.000 -1.073) 1.456 12.412 ( -3.015 0.000 -3.618) 4.710 12.605 ( -0.243 0.000 0.542) 0.594 13.502 ( -0.689 0.000 -0.461) 0.829 13.513 ( 0.511 0.000 -0.159) 0.535 15.323 ( -0.295 0.000 -0.186) 0.349 15.324 ( 0.638 0.000 0.684) 0.935 15.563 ( -5.212 0.000 -6.655) 8.453 15.979 ( -3.476 0.000 -0.023) 3.476 16.137 ( -0.228 0.000 -0.462) 0.515 16.152 ( -0.713 0.000 0.300) 0.774 18.489 ( -0.760 0.000 0.294) 0.815 18.556 ( 2.820 0.000 0.888) 2.957 22.932 ( 1.934 0.000 0.078) 1.935 23.168 ( 1.138 0.000 3.356) 3.544 24.986 ( -0.173 0.000 -0.119) 0.210 24.986 ( 0.090 0.000 -0.018) 0.091 28.655 ( -2.989 0.000 -4.705) 5.574 28.902 ( -1.916 0.000 -0.150) 1.922 31.252 ( -7.498 0.000 -12.403) 14.494 32.436 ( -15.553 0.000 -1.825) 15.660 32.959 ( 1.420 0.000 -0.838) 1.649 32.975 ( -2.214 0.000 3.997) 4.570 36.184 ( -5.247 0.000 -0.707) 5.294 36.566 ( 6.209 0.000 -12.910) 14.325 36.732 ( 6.767 0.000 11.329) 13.196 37.911 ( 9.200 0.000 10.433) 13.910 ======================= Grid point 120 (39/126) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 7.403 0.000 -4.081) 8.453 1.210 ( 13.719 0.000 8.404) 16.088 1.227 ( 12.839 0.000 -3.046) 13.195 1.683 ( -2.488 0.000 -0.982) 2.674 1.758 ( -1.375 0.000 -1.837) 2.294 1.886 ( 2.010 0.000 0.801) 2.163 1.932 ( 2.240 0.000 6.774) 7.135 1.952 ( -5.544 0.000 -5.328) 7.690 2.029 ( -7.265 0.000 -4.551) 8.573 2.138 ( -5.717 0.000 8.127) 9.936 2.245 ( -7.109 0.000 8.801) 11.314 2.432 ( 12.392 0.000 4.523) 13.192 2.494 ( 3.896 0.000 -3.154) 5.012 2.556 ( 18.481 0.000 -13.829) 23.082 2.759 ( 10.695 0.000 6.636) 12.587 2.839 ( 3.028 0.000 -5.445) 6.230 3.161 ( -3.310 0.000 0.394) 3.333 3.193 ( -12.571 0.000 -8.605) 15.234 3.362 ( -7.123 0.000 -1.883) 7.367 3.569 ( -14.628 0.000 10.532) 18.025 4.159 ( -0.090 0.000 -2.899) 2.900 4.309 ( -3.621 0.000 2.277) 4.278 4.997 ( -0.062 0.000 -0.083) 0.104 5.135 ( 0.090 0.000 0.047) 0.101 6.446 ( 0.710 0.000 0.387) 0.809 6.450 ( 1.169 0.000 -0.463) 1.257 7.656 ( -0.565 0.000 1.818) 1.904 7.706 ( 0.954 0.000 -1.542) 1.813 9.396 ( -0.158 0.000 1.417) 1.426 9.517 ( 0.075 0.000 0.489) 0.495 9.574 ( 0.066 0.000 -0.505) 0.509 9.686 ( 2.212 0.000 -1.279) 2.555 11.974 ( 0.265 0.000 -0.453) 0.525 11.986 ( 0.753 0.000 -0.115) 0.762 12.366 ( -0.117 0.000 0.283) 0.306 12.598 ( -0.531 0.000 -0.630) 0.824 13.492 ( -0.115 0.000 0.043) 0.123 13.521 ( 0.504 0.000 -0.382) 0.633 15.317 ( -0.132 0.000 -0.195) 0.235 15.348 ( 0.479 0.000 0.248) 0.540 15.473 ( -0.109 0.000 -0.860) 0.867 15.909 ( -2.995 0.000 -1.862) 3.526 16.134 ( 0.338 0.000 -0.613) 0.701 16.144 ( -0.443 0.000 0.201) 0.486 18.480 ( -0.544 0.000 0.767) 0.941 18.598 ( 1.231 0.000 -0.771) 1.453 22.972 ( 1.595 0.000 1.296) 2.055 23.180 ( -1.273 0.000 0.591) 1.404 24.983 ( -0.048 0.000 -0.002) 0.048 24.988 ( 0.095 0.000 -0.048) 0.107 28.613 ( 0.872 0.000 -0.627) 1.074 28.863 ( -1.640 0.000 -0.989) 1.915 31.154 ( 2.182 0.000 -1.520) 2.659 32.135 ( -11.690 0.000 -6.925) 13.587 32.968 ( -1.580 0.000 2.827) 3.239 32.975 ( 1.009 0.000 -0.532) 1.140 36.119 ( -2.258 0.000 1.809) 2.894 36.537 ( 3.336 0.000 -15.209) 15.571 36.978 ( 5.914 0.000 17.358) 18.338 38.032 ( -0.338 0.000 0.055) 0.343 ======================= Grid point 121 (40/126) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.940 0.000 8.470) 12.316 1.380 ( -1.261 0.000 -1.296) 1.808 1.452 ( -0.859 0.000 11.766) 11.797 1.509 ( -5.678 0.000 -10.015) 11.512 1.692 ( 3.566 0.000 -11.137) 11.694 1.845 ( -0.458 0.000 -3.094) 3.127 1.865 ( -2.611 0.000 1.502) 3.012 1.937 ( 4.717 0.000 1.709) 5.017 2.114 ( -5.631 0.000 9.398) 10.955 2.188 ( 6.225 0.000 13.561) 14.922 2.230 ( -1.983 0.000 10.226) 10.417 2.515 ( -2.929 0.000 -2.756) 4.022 2.538 ( 3.285 0.000 -1.107) 3.467 2.726 ( -17.159 0.000 -10.534) 20.134 2.818 ( 17.353 0.000 -12.407) 21.332 2.832 ( -0.709 0.000 -9.161) 9.189 3.073 ( -4.978 0.000 -0.315) 4.988 3.117 ( 14.784 0.000 1.978) 14.915 3.322 ( 1.712 0.000 3.556) 3.947 3.352 ( -13.763 0.000 6.481) 15.213 4.186 ( 3.953 0.000 0.726) 4.019 4.242 ( -3.434 0.000 -1.489) 3.743 5.021 ( 1.430 0.000 2.211) 2.634 5.120 ( -0.942 0.000 -1.508) 1.778 6.453 ( -0.306 0.000 0.150) 0.341 6.462 ( 0.362 0.000 -0.220) 0.424 7.653 ( -1.144 0.000 1.339) 1.761 7.715 ( 1.053 0.000 -0.984) 1.441 9.417 ( 0.218 0.000 3.397) 3.404 9.526 ( 0.246 0.000 0.941) 0.973 9.568 ( -0.035 0.000 -0.826) 0.827 9.656 ( -1.882 0.000 -5.421) 5.739 11.984 ( 0.462 0.000 0.359) 0.585 11.998 ( 0.445 0.000 0.078) 0.452 12.406 ( 2.119 0.000 3.863) 4.406 12.571 ( -1.002 0.000 -2.471) 2.666 13.496 ( 0.155 0.000 0.448) 0.474 13.524 ( 0.204 0.000 -0.566) 0.601 15.316 ( 0.119 0.000 -0.083) 0.145 15.333 ( -0.792 0.000 -1.114) 1.367 15.543 ( 4.017 0.000 5.663) 6.943 15.830 ( -2.167 0.000 -5.321) 5.745 16.137 ( -0.368 0.000 -0.126) 0.389 16.139 ( 0.535 0.000 -0.344) 0.636 18.483 ( -0.174 0.000 1.542) 1.552 18.590 ( -0.570 0.000 -2.340) 2.408 23.016 ( 1.146 0.000 3.028) 3.238 23.144 ( -1.653 0.000 -1.839) 2.473 24.984 ( 0.041 0.000 0.098) 0.106 24.989 ( 0.042 0.000 -0.077) 0.088 28.660 ( 2.466 0.000 3.210) 4.048 28.822 ( -1.115 0.000 -2.772) 2.988 31.275 ( 6.778 0.000 8.570) 10.926 31.873 ( -6.318 0.000 -14.860) 16.147 32.959 ( -1.411 0.000 1.845) 2.323 32.991 ( 0.798 0.000 0.061) 0.801 36.120 ( -0.106 0.000 3.570) 3.572 36.456 ( 0.877 0.000 -13.397) 13.426 37.238 ( 4.419 0.000 21.276) 21.730 37.932 ( -5.432 0.000 -9.309) 10.778 ======================= Grid point 122 (41/126) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -15.334 0.000 -15.452) 21.769 1.241 ( 0.274 0.000 11.214) 11.218 1.310 ( -9.167 0.000 8.127) 12.250 1.392 ( 0.933 0.000 0.746) 1.195 1.777 ( 4.007 0.000 -6.199) 7.381 1.841 ( -2.173 0.000 2.625) 3.407 1.863 ( 1.951 0.000 -3.894) 4.356 1.938 ( -9.054 0.000 -1.463) 9.172 2.173 ( -18.427 0.000 0.582) 18.436 2.222 ( 9.736 0.000 11.518) 15.081 2.308 ( -1.222 0.000 1.771) 2.152 2.388 ( 3.246 0.000 10.249) 10.751 2.464 ( -3.061 0.000 -8.051) 8.613 2.597 ( 2.993 0.000 0.683) 3.070 2.782 ( 2.499 0.000 -10.542) 10.834 2.915 ( -1.706 0.000 -0.072) 1.707 3.048 ( 4.896 0.000 -7.711) 9.134 3.201 ( 0.826 0.000 -3.760) 3.850 3.204 ( -4.388 0.000 4.194) 6.070 3.596 ( 15.599 0.000 7.755) 17.421 4.170 ( -1.673 0.000 -3.028) 3.459 4.309 ( 6.783 0.000 2.535) 7.241 5.075 ( 1.713 0.000 2.546) 3.069 5.077 ( -1.639 0.000 -2.513) 3.000 6.437 ( -1.304 0.000 0.033) 1.304 6.460 ( -0.431 0.000 -0.109) 0.445 7.637 ( -1.487 0.000 1.077) 1.836 7.726 ( 0.846 0.000 -0.796) 1.162 9.455 ( -0.148 0.000 4.876) 4.879 9.544 ( 0.499 0.000 1.585) 1.661 9.550 ( -3.634 0.000 -4.887) 6.090 9.561 ( -0.056 0.000 -1.601) 1.602 11.992 ( 0.184 0.000 0.012) 0.184 12.002 ( 0.035 0.000 -0.272) 0.274 12.490 ( 2.584 0.000 4.209) 4.939 12.518 ( -1.380 0.000 -4.689) 4.888 13.504 ( 0.296 0.000 0.393) 0.492 13.519 ( -0.128 0.000 -0.743) 0.753 15.316 ( -0.323 0.000 -0.363) 0.486 15.320 ( 0.296 0.000 0.171) 0.342 15.687 ( 4.906 0.000 6.944) 8.502 15.732 ( -1.797 0.000 -9.732) 9.897 16.131 ( 0.080 0.000 -0.308) 0.319 16.148 ( 0.551 0.000 -0.053) 0.553 18.497 ( -0.080 0.000 2.320) 2.322 18.548 ( -1.511 0.000 -2.280) 2.735 23.070 ( 1.056 0.000 5.128) 5.235 23.090 ( -1.788 0.000 -3.163) 3.633 24.986 ( 0.089 0.000 0.068) 0.112 24.988 ( -0.023 0.000 -0.113) 0.115 28.744 ( 2.735 0.000 4.090) 4.920 28.770 ( -0.843 0.000 -5.700) 5.762 31.540 ( 10.155 0.000 15.189) 18.271 31.630 ( -3.122 0.000 -23.479) 23.685 32.945 ( -1.339 0.000 1.193) 1.793 33.005 ( 0.242 0.000 0.658) 0.701 36.172 ( 2.253 0.000 4.243) 4.804 36.361 ( -0.203 0.000 -10.320) 10.322 37.503 ( 3.423 0.000 24.748) 24.984 37.688 ( -9.251 0.000 -14.563) 17.253 ======================= Grid point 123 (42/126) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -19.324 0.000 -15.255) 24.620 0.902 ( -22.593 0.000 -0.711) 22.604 1.425 ( 0.805 0.000 -10.671) 10.702 1.429 ( -31.255 0.000 6.655) 31.956 1.584 ( 10.480 0.000 12.601) 16.390 1.754 ( -3.186 0.000 5.592) 6.435 1.804 ( -3.219 0.000 3.465) 4.730 1.899 ( 1.494 0.000 -0.196) 1.506 2.139 ( 1.085 0.000 -6.226) 6.320 2.227 ( 2.626 0.000 -3.611) 4.465 2.399 ( 0.946 0.000 0.203) 0.967 2.410 ( -0.234 0.000 -0.847) 0.879 2.467 ( -1.070 0.000 5.282) 5.389 2.670 ( 3.360 0.000 1.472) 3.668 2.743 ( 3.729 0.000 -14.195) 14.677 2.842 ( -2.980 0.000 -8.509) 9.016 3.094 ( 2.940 0.000 10.488) 10.892 3.192 ( -0.315 0.000 0.859) 0.915 3.241 ( 2.616 0.000 1.625) 3.079 3.934 ( 13.113 0.000 5.040) 14.048 4.141 ( 1.130 0.000 -2.089) 2.375 4.470 ( 7.614 0.000 2.796) 8.111 5.023 ( -1.691 0.000 -2.303) 2.858 5.118 ( 0.895 0.000 1.471) 1.722 6.408 ( -1.695 0.000 0.089) 1.697 6.447 ( -0.755 0.000 -0.223) 0.787 7.617 ( -1.467 0.000 1.169) 1.876 7.731 ( 0.367 0.000 -1.031) 1.094 9.446 ( -3.132 0.000 -2.776) 4.185 9.484 ( -1.042 0.000 4.477) 4.597 9.553 ( 0.175 0.000 -1.119) 1.133 9.574 ( 0.798 0.000 2.897) 3.005 11.991 ( 0.075 0.000 -0.690) 0.694 11.993 ( -0.278 0.000 -1.382) 1.410 12.439 ( -1.971 0.000 -6.629) 6.916 12.561 ( 1.695 0.000 2.575) 3.083 13.508 ( -0.243 0.000 -0.829) 0.864 13.513 ( 0.495 0.000 -0.002) 0.495 15.314 ( 0.173 0.000 0.094) 0.197 15.329 ( 0.289 0.000 0.565) 0.635 15.590 ( -3.102 0.000 -13.601) 13.950 15.825 ( 3.593 0.000 5.521) 6.587 16.140 ( 1.206 0.000 -0.253) 1.233 16.158 ( 0.436 0.000 0.092) 0.446 18.505 ( -1.374 0.000 -0.907) 1.646 18.515 ( -0.352 0.000 2.475) 2.499 23.027 ( -1.785 0.000 -3.287) 3.740 23.150 ( 2.179 0.000 7.538) 7.847 24.986 ( -0.055 0.000 -0.145) 0.155 24.988 ( 0.116 0.000 -0.038) 0.122 28.681 ( -2.184 0.000 -9.925) 10.162 28.822 ( 2.058 0.000 3.126) 3.742 31.332 ( -5.852 0.000 -29.337) 29.915 31.887 ( 10.849 0.000 17.116) 20.265 32.928 ( -1.185 0.000 0.799) 1.430 33.003 ( -1.524 0.000 1.087) 1.872 36.286 ( 6.665 0.000 3.669) 7.608 36.289 ( 0.220 0.000 -6.328) 6.332 37.351 ( -12.466 0.000 -15.406) 19.818 37.793 ( 5.091 0.000 25.939) 26.434 ======================= Grid point 124 (43/126) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( -12.372 0.000 2.418) 12.606 0.462 ( -20.243 0.000 4.911) 20.830 0.918 ( -31.971 0.000 21.696) 38.638 1.252 ( -2.014 0.000 -16.235) 16.359 1.710 ( -3.611 0.000 -6.578) 7.504 1.848 ( -0.052 0.000 3.344) 3.344 1.863 ( 3.682 0.000 1.816) 4.105 1.967 ( 4.494 0.000 8.080) 9.246 2.014 ( 2.529 0.000 2.735) 3.724 2.291 ( -9.627 0.000 -0.915) 9.670 2.369 ( 3.131 0.000 0.541) 3.177 2.411 ( 1.294 0.000 -0.985) 1.626 2.440 ( -0.537 0.000 -10.311) 10.325 2.687 ( -2.384 0.000 -7.352) 7.729 2.719 ( 8.680 0.000 -10.502) 13.625 2.741 ( 3.145 0.000 -4.839) 5.771 3.175 ( -3.943 0.000 1.334) 4.162 3.273 ( 0.301 0.000 3.695) 3.707 3.302 ( 1.839 0.000 17.718) 17.814 4.122 ( 3.804 0.000 -3.862) 5.421 4.182 ( 3.376 0.000 1.301) 3.618 4.652 ( 8.593 0.000 -0.706) 8.622 4.988 ( -0.372 0.000 0.025) 0.373 5.130 ( -0.224 0.000 -0.070) 0.235 6.381 ( -1.129 0.000 0.347) 1.181 6.430 ( -0.591 0.000 -0.610) 0.850 7.602 ( -1.246 0.000 1.651) 2.069 7.724 ( 0.110 0.000 -1.460) 1.464 9.389 ( -1.458 0.000 -0.451) 1.526 9.481 ( -2.265 0.000 1.728) 2.849 9.551 ( 0.456 0.000 -0.754) 0.881 9.606 ( -0.437 0.000 -0.207) 0.484 11.980 ( 0.707 0.000 -0.233) 0.745 11.988 ( 0.454 0.000 -0.746) 0.873 12.358 ( -0.469 0.000 0.311) 0.563 12.594 ( 0.256 0.000 0.822) 0.861 13.501 ( 0.165 0.000 -0.086) 0.186 13.522 ( 0.588 0.000 -0.345) 0.682 15.320 ( 0.244 0.000 0.206) 0.319 15.335 ( -0.433 0.000 -0.376) 0.573 15.440 ( 0.009 0.000 1.470) 1.470 15.899 ( 0.169 0.000 3.037) 3.042 16.168 ( 0.544 0.000 0.243) 0.596 16.171 ( 1.790 0.000 -0.071) 1.791 18.481 ( -0.868 0.000 0.234) 0.899 18.517 ( -1.148 0.000 0.714) 1.352 22.980 ( -0.309 0.000 -2.176) 2.198 23.258 ( 1.519 0.000 -0.011) 1.519 24.985 ( 0.026 0.000 0.013) 0.029 24.989 ( 0.123 0.000 -0.109) 0.164 28.549 ( -0.916 0.000 0.652) 1.124 28.868 ( 0.386 0.000 1.830) 1.871 31.012 ( -2.141 0.000 0.779) 2.279 32.169 ( 2.835 0.000 13.325) 13.623 32.913 ( -0.912 0.000 0.439) 1.012 32.956 ( -3.831 0.000 0.626) 3.882 36.275 ( 1.953 0.000 -1.575) 2.509 36.510 ( 13.917 0.000 3.110) 14.260 36.982 ( -12.766 0.000 -12.394) 17.793 38.050 ( 0.429 0.000 0.150) 0.454 ======================= Grid point 125 (44/126) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -7.409 17.313 7.642) 20.323 0.607 ( -13.698 8.182 19.969) 25.561 1.159 ( 7.049 10.899 -4.258) 13.661 1.177 ( 11.654 20.336 12.915) 26.762 1.492 ( -1.693 0.163 -18.162) 18.242 1.825 ( -1.540 2.437 2.183) 3.616 1.918 ( -1.842 3.417 -3.705) 5.366 2.019 ( -5.975 -1.522 6.613) 9.042 2.212 ( -1.147 6.714 -6.560) 9.457 2.281 ( 3.204 -0.756 -4.470) 5.551 2.387 ( 3.913 4.418 1.430) 6.072 2.423 ( 1.663 3.717 -8.955) 9.838 2.477 ( 1.164 14.148 5.510) 15.227 2.708 ( -2.914 5.767 -4.043) 7.622 2.853 ( 3.339 4.865 -4.134) 7.205 2.977 ( -2.227 12.801 -5.339) 14.047 3.103 ( 6.169 -0.953 3.000) 6.926 3.227 ( -2.788 -1.935 -0.527) 3.434 3.404 ( 0.360 -7.200 15.693) 17.269 3.669 ( -5.119 -21.703 10.062) 24.463 4.266 ( 2.421 -1.424 5.555) 6.225 4.476 ( -3.393 -0.129 -3.376) 4.788 5.005 ( 1.346 -0.876 2.785) 3.214 5.189 ( -1.905 1.300 -6.165) 6.583 6.376 ( 0.141 1.345 0.675) 1.511 6.436 ( -0.312 3.211 -2.030) 3.812 7.638 ( 0.101 2.999 2.625) 3.987 7.756 ( -0.423 4.010 -1.954) 4.481 9.355 ( 1.013 -2.777 0.966) 3.110 9.413 ( -1.056 -1.866 -1.289) 2.502 9.590 ( -1.573 4.634 1.930) 5.260 9.624 ( 1.587 5.806 0.253) 6.024 11.901 ( -0.237 -8.686 0.065) 8.690 11.914 ( 0.456 -8.267 -0.311) 8.285 12.402 ( 3.692 -5.363 4.781) 8.078 12.533 ( -1.682 -4.904 -1.415) 5.374 13.738 ( 1.274 20.037 4.560) 20.589 14.454 ( -10.142 36.991 -39.993) 55.413 15.386 ( 4.927 -18.801 0.676) 19.448 15.402 ( -1.107 0.216 -0.119) 1.135 15.420 ( 0.893 -11.543 -0.614) 11.594 15.448 ( 4.361 -10.474 -3.884) 11.992 16.488 ( 5.306 15.254 3.480) 16.521 16.538 ( -1.305 18.790 -0.345) 18.839 18.530 ( -0.467 6.305 0.545) 6.346 18.575 ( 2.047 9.371 -1.963) 9.791 22.881 ( -6.448 -8.816 2.561) 11.219 22.918 ( 3.216 -8.055 0.205) 8.675 25.221 ( 0.335 22.311 3.800) 22.635 25.923 ( -8.002 56.880 -49.120) 75.578 28.777 ( 11.553 -8.159 4.717) 14.910 28.831 ( -2.019 -3.124 -0.196) 3.725 31.702 ( 47.987 -28.166 25.304) 61.126 31.999 ( -14.548 -10.169 -0.480) 17.756 32.860 ( -0.077 -4.186 0.208) 4.191 32.873 ( -0.212 -3.762 -0.237) 3.775 36.357 ( 4.001 1.539 3.489) 5.527 36.592 ( -7.950 0.149 -6.007) 9.966 36.940 ( 2.937 -2.888 5.180) 6.617 37.108 ( -21.259 -4.792 -1.201) 21.825 ======================= Grid point 126 (45/126) ======================= q-point: ( 0.12 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 6.093 8.678 11.904) 15.943 0.800 ( 13.765 -6.354 22.279) 26.948 1.107 ( 4.304 3.618 -19.389) 20.188 1.374 ( 3.071 11.634 -14.757) 19.040 1.678 ( 14.966 23.485 20.253) 34.435 1.757 ( -4.721 4.655 -4.038) 7.763 1.844 ( 0.633 3.521 1.441) 3.856 1.940 ( -1.976 -0.130 2.500) 3.189 2.220 ( 7.625 1.004 -10.978) 13.404 2.280 ( -1.842 -1.735 -2.857) 3.817 2.351 ( -3.077 1.430 -5.462) 6.430 2.425 ( -0.391 3.514 0.225) 3.542 2.545 ( -4.887 5.823 -1.243) 7.703 2.620 ( -0.396 14.904 6.805) 16.389 2.825 ( -1.706 13.735 -7.652) 15.815 2.854 ( -2.933 5.403 -2.751) 6.735 3.176 ( -1.131 -0.880 -0.522) 1.525 3.234 ( 3.272 -0.779 1.844) 3.836 3.527 ( -0.875 -9.204 14.411) 17.121 3.679 ( -2.116 -20.565 0.005) 20.673 4.327 ( -2.553 -0.916 3.489) 4.419 4.371 ( -2.133 1.932 -2.459) 3.786 5.056 ( 0.710 -0.731 2.724) 2.909 5.093 ( -2.271 0.332 -3.855) 4.487 6.395 ( 0.969 1.835 0.686) 2.186 6.426 ( 0.979 1.918 -1.249) 2.490 7.669 ( 0.513 3.866 2.967) 4.900 7.740 ( 0.513 3.433 -2.454) 4.251 9.378 ( -0.260 -2.952 -1.133) 3.173 9.413 ( 2.599 -3.010 1.579) 4.278 9.572 ( -0.738 5.104 0.633) 5.196 9.664 ( 1.472 6.928 0.158) 7.084 11.891 ( -0.342 -8.277 -0.247) 8.288 11.918 ( -0.046 -8.663 -0.272) 8.668 12.462 ( -2.868 -4.821 -2.824) 6.280 12.505 ( 2.241 -6.338 2.945) 7.339 13.797 ( -1.040 24.894 6.709) 25.803 13.998 ( -9.538 32.102 -15.611) 36.949 15.310 ( -5.209 -22.781 -3.156) 23.581 15.408 ( -0.264 0.711 0.235) 0.794 15.424 ( -0.035 0.977 -0.277) 1.016 15.470 ( -0.163 -24.511 -0.766) 24.524 16.450 ( -3.603 17.791 -0.704) 18.166 16.581 ( 0.365 18.174 -0.062) 18.178 18.536 ( 0.860 4.971 0.374) 5.059 18.577 ( -0.347 8.298 -0.793) 8.343 22.835 ( -0.340 -6.945 0.674) 6.986 23.002 ( 3.956 -8.589 1.566) 9.585 25.252 ( -1.637 24.843 5.644) 25.529 25.450 ( -9.753 38.547 -14.748) 42.409 28.744 ( -4.672 -3.300 -3.379) 6.644 28.882 ( 0.180 -5.303 0.578) 5.338 31.588 ( -17.739 -5.662 -11.882) 22.089 32.368 ( 4.362 -29.858 6.847) 30.942 32.877 ( 1.003 -5.485 1.255) 5.715 32.893 ( 2.088 -4.528 -0.189) 4.990 36.398 ( -9.280 4.044 -6.333) 11.941 36.489 ( 4.466 0.736 6.023) 7.534 36.605 ( -3.265 0.443 -0.172) 3.299 37.464 ( 19.480 -5.027 7.735) 21.554 ======================= Grid point 127 (46/126) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 12.871 2.296 7.533) 15.089 1.086 ( 7.089 17.633 -7.772) 20.533 1.238 ( 0.765 14.631 -17.063) 22.490 1.295 ( 17.445 -8.540 16.451) 25.453 1.726 ( 3.073 -2.467 -1.153) 4.106 1.891 ( 2.390 2.877 3.581) 5.178 1.956 ( 1.176 -0.358 2.772) 3.033 2.119 ( 0.652 6.990 1.578) 7.195 2.131 ( -4.549 3.734 3.540) 6.867 2.222 ( 3.425 5.606 -4.686) 8.069 2.302 ( 3.327 2.667 -5.267) 6.777 2.390 ( -5.813 2.966 0.589) 6.553 2.401 ( -0.353 3.508 -1.304) 3.759 2.672 ( -2.053 15.301 -7.710) 17.256 2.724 ( 2.662 13.076 5.124) 14.294 2.854 ( 3.552 3.977 -4.470) 6.958 3.159 ( -1.775 -2.501 1.210) 3.297 3.276 ( 0.189 -0.696 0.570) 0.919 3.530 ( -9.812 -12.804 -5.202) 16.949 3.586 ( -6.144 -8.653 12.409) 16.328 4.233 ( -3.063 1.242 -4.595) 5.660 4.367 ( -2.345 2.062 4.492) 5.471 5.016 ( -1.562 -0.755 -2.395) 2.957 5.101 ( 0.528 -1.380 1.826) 2.349 6.414 ( 0.892 1.113 -0.041) 1.427 6.454 ( 2.031 2.568 -0.066) 3.274 7.700 ( 0.045 4.795 2.692) 5.499 7.733 ( 0.794 3.103 -2.160) 3.863 9.358 ( -0.429 -3.445 -0.970) 3.605 9.500 ( 3.531 -3.238 2.531) 5.418 9.575 ( 0.921 2.360 -0.316) 2.553 9.677 ( -0.119 7.193 -0.014) 7.194 11.889 ( 0.211 -8.410 -0.358) 8.421 11.907 ( -0.402 -8.147 -0.706) 8.188 12.380 ( -2.222 -3.116 -3.034) 4.884 12.552 ( 0.712 -5.033 1.417) 5.277 13.741 ( -3.967 21.459 -3.046) 22.034 13.870 ( -2.791 28.844 4.060) 29.262 15.185 ( -3.464 -25.581 -4.174) 26.150 15.401 ( -0.334 2.724 -0.522) 2.794 15.420 ( -0.186 -0.512 0.073) 0.550 15.460 ( -0.756 -19.912 0.537) 19.934 16.389 ( -1.610 17.233 -1.391) 17.364 16.560 ( -1.709 19.931 -0.199) 20.005 18.548 ( -0.768 5.776 0.245) 5.832 18.581 ( 1.928 4.202 -0.044) 4.623 22.854 ( 1.526 -7.820 0.285) 7.973 23.070 ( 1.431 -9.707 1.510) 9.927 25.236 ( -3.513 24.351 1.276) 24.637 25.264 ( -3.915 24.847 -1.034) 25.175 28.628 ( -2.711 -2.718 -4.600) 5.991 28.866 ( -1.598 -3.653 0.290) 3.998 31.247 ( -6.273 -0.251 -10.901) 12.579 32.283 ( -11.213 -14.308 1.288) 18.224 32.901 ( 0.088 -5.618 1.888) 5.928 32.924 ( 0.886 -4.514 0.224) 4.606 36.215 ( -6.040 2.857 -0.903) 6.743 36.553 ( 5.191 -1.126 -11.203) 12.399 36.725 ( 6.163 -0.764 11.162) 12.773 37.811 ( 9.191 -9.642 6.934) 15.018 ======================= Grid point 128 (47/126) ======================= q-point: ( 0.38 0.08 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.076 20.851 -4.001) 21.830 1.177 ( 11.694 1.671 3.108) 12.215 1.343 ( 11.721 9.259 2.326) 15.117 1.645 ( 3.675 -4.306 2.255) 6.094 1.757 ( 0.600 1.132 -1.833) 2.236 1.918 ( -2.930 -3.415 2.517) 5.156 1.938 ( 1.088 3.912 0.795) 4.138 2.000 ( -4.679 2.997 -3.542) 6.589 2.020 ( -1.217 0.516 0.644) 1.470 2.175 ( -7.416 3.327 3.098) 8.698 2.315 ( -3.921 5.703 4.938) 8.502 2.483 ( 6.372 4.920 4.664) 9.304 2.544 ( 15.101 0.397 -8.924) 17.545 2.620 ( 2.943 12.496 -4.703) 13.672 2.847 ( 5.359 6.774 1.033) 8.699 2.901 ( 5.406 7.207 -1.497) 9.132 3.115 ( -3.965 -3.980 0.213) 5.622 3.174 ( -10.967 -1.300 -7.307) 13.242 3.323 ( -3.815 -3.269 -0.437) 5.043 3.495 ( -12.318 -6.378 8.627) 16.335 4.166 ( -0.522 1.013 -2.112) 2.400 4.341 ( -3.059 3.165 1.566) 4.672 4.989 ( -0.021 -0.688 -0.098) 0.695 5.113 ( -0.181 -2.042 0.216) 2.061 6.432 ( 0.807 0.715 0.383) 1.145 6.487 ( 1.347 3.278 -0.340) 3.561 7.710 ( -0.708 4.642 1.604) 4.962 7.735 ( 0.880 3.343 -1.227) 3.668 9.354 ( 0.323 -3.654 0.515) 3.704 9.549 ( 0.026 3.305 0.961) 3.442 9.606 ( 2.421 -5.007 -1.360) 5.725 9.664 ( -0.955 5.678 -0.456) 5.775 11.888 ( 0.261 -8.432 -0.166) 8.438 11.906 ( 0.486 -7.936 -0.157) 7.953 12.346 ( 0.042 -2.229 0.281) 2.247 12.559 ( -0.329 -4.185 -0.444) 4.221 13.681 ( -0.721 17.143 -0.584) 17.168 13.839 ( -3.033 27.715 1.573) 27.925 15.135 ( 0.227 -26.667 -0.252) 26.669 15.387 ( -0.343 -1.793 -1.325) 2.256 15.419 ( 0.017 -3.604 0.008) 3.604 15.447 ( -0.846 -9.422 0.103) 9.461 16.368 ( 0.007 16.887 -0.058) 16.887 16.524 ( -1.395 20.107 -1.116) 20.186 18.534 ( -0.725 5.780 0.530) 5.849 18.614 ( 1.360 2.685 -0.916) 3.146 22.890 ( 1.408 -8.262 1.347) 8.488 23.082 ( -0.570 -9.720 -0.183) 9.739 25.183 ( -1.114 19.518 -0.903) 19.571 25.212 ( -2.811 21.180 1.491) 21.418 28.589 ( 0.868 -2.433 -0.641) 2.662 28.833 ( -1.588 -3.087 -0.830) 3.569 31.165 ( 2.089 1.265 -1.214) 2.728 32.053 ( -9.887 -7.733 -5.700) 13.786 32.913 ( -0.649 -5.192 2.134) 5.650 32.936 ( 0.584 -4.143 -0.218) 4.189 36.140 ( -2.505 2.055 1.692) 3.655 36.527 ( 3.201 -0.920 -13.950) 14.342 36.953 ( 5.220 -2.427 16.488) 17.464 37.925 ( 0.605 -10.353 -1.032) 10.422 ======================= Grid point 129 (48/126) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 6.876 16.886 3.226) 18.515 1.399 ( 0.090 -1.887 6.956) 7.208 1.421 ( -5.754 3.557 -1.201) 6.870 1.585 ( -0.634 3.705 -4.084) 5.550 1.730 ( 1.945 4.480 -5.486) 7.345 1.897 ( 1.307 1.708 -5.178) 5.607 1.904 ( -2.850 3.985 0.303) 4.908 1.979 ( 3.040 3.594 -0.124) 4.709 2.089 ( -0.741 -0.758 8.761) 8.825 2.134 ( -2.915 -0.890 12.213) 12.588 2.369 ( 2.121 7.665 10.157) 12.900 2.526 ( -2.827 0.450 -2.101) 3.551 2.634 ( 3.193 9.948 -4.245) 11.278 2.717 ( -1.107 -0.805 -7.312) 7.439 2.805 ( -3.000 2.510 -9.400) 10.181 2.907 ( 7.291 3.785 -9.881) 12.850 3.069 ( -3.545 0.753 1.423) 3.893 3.129 ( 9.961 2.676 2.014) 10.509 3.295 ( 0.183 -2.505 2.291) 3.400 3.304 ( -11.631 -3.840 5.496) 13.425 4.189 ( 2.829 0.877 1.471) 3.307 4.279 ( -2.501 3.376 -2.096) 4.695 5.012 ( 1.331 -0.836 2.011) 2.553 5.098 ( -0.865 -2.046 -1.271) 2.560 6.448 ( 0.137 1.150 0.921) 1.480 6.494 ( -0.058 3.085 -0.855) 3.202 7.701 ( -1.414 4.502 0.998) 4.823 7.747 ( 1.187 3.219 -0.716) 3.505 9.379 ( 0.825 -3.541 2.473) 4.397 9.531 ( -1.577 -0.891 -1.928) 2.646 9.619 ( -0.222 -1.548 -1.255) 2.005 9.643 ( 0.079 6.433 -0.840) 6.488 11.897 ( 0.373 -8.525 0.419) 8.544 11.913 ( 0.264 -8.304 -0.047) 8.309 12.382 ( 1.857 -2.587 3.389) 4.650 12.533 ( -1.137 -3.981 -2.406) 4.789 13.697 ( 1.528 18.306 1.812) 18.459 13.789 ( -1.622 23.389 -1.617) 23.501 15.177 ( 2.256 -26.182 3.520) 26.513 15.360 ( -0.657 -16.589 -3.336) 16.934 15.419 ( -0.261 -3.775 0.252) 3.792 15.434 ( -0.213 5.809 -0.285) 5.820 16.384 ( 0.817 17.446 1.551) 17.534 16.490 ( -0.493 19.796 -2.469) 19.955 18.532 ( -0.284 5.363 1.045) 5.471 18.613 ( -0.176 3.159 -1.894) 3.687 22.929 ( 0.732 -8.730 2.840) 9.209 23.055 ( -1.014 -9.017 -1.963) 9.284 25.173 ( -0.775 18.592 0.404) 18.612 25.188 ( 0.852 19.126 -0.126) 19.145 28.636 ( 2.430 -2.566 3.085) 4.691 28.792 ( -1.238 -3.074 -2.723) 4.289 31.276 ( 6.014 0.326 7.944) 9.968 31.823 ( -5.802 -4.744 -13.388) 15.343 32.912 ( -1.059 -4.645 1.746) 5.074 32.947 ( 0.621 -4.404 -0.049) 4.448 36.137 ( -0.123 1.717 3.374) 3.788 36.454 ( 1.030 -0.114 -12.637) 12.680 37.186 ( 2.989 -5.003 19.988) 20.820 37.843 ( -4.131 -8.680 -8.932) 13.122 ======================= Grid point 130 (49/126) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -18.312 0.955 -3.903) 18.748 1.384 ( 1.217 8.558 5.114) 10.043 1.424 ( -3.250 2.548 0.834) 4.214 1.464 ( -4.615 11.184 5.509) 13.295 1.793 ( 5.262 1.134 -7.702) 9.396 1.868 ( -2.082 2.694 -1.035) 3.559 1.885 ( -1.829 1.755 -2.022) 3.242 1.928 ( -4.598 0.963 0.255) 4.704 2.154 ( -8.649 -2.225 5.138) 10.303 2.250 ( 7.090 3.426 8.722) 11.751 2.347 ( -2.041 3.609 0.807) 4.224 2.444 ( -6.985 7.574 -4.592) 11.280 2.519 ( 0.686 1.217 2.988) 3.299 2.722 ( 5.784 12.260 -2.075) 13.714 2.808 ( 2.830 3.521 -7.221) 8.518 2.971 ( 2.213 3.503 -4.069) 5.808 3.029 ( -0.263 1.113 -2.622) 2.860 3.179 ( -2.476 -0.583 2.481) 3.554 3.198 ( 0.333 -1.375 -1.794) 2.284 3.490 ( 11.344 -9.304 7.019) 16.264 4.189 ( -1.713 2.104 -2.631) 3.779 4.322 ( 5.991 1.578 2.160) 6.562 5.048 ( -0.731 -1.825 -0.434) 2.013 5.077 ( 1.249 -0.772 0.595) 1.585 6.447 ( -1.178 2.040 0.650) 2.443 6.477 ( -0.723 2.246 -0.602) 2.435 7.676 ( -1.782 3.775 0.578) 4.215 7.767 ( 1.213 3.845 -0.197) 4.036 9.420 ( 0.418 -3.260 3.926) 5.120 9.459 ( -2.830 -5.152 -3.701) 6.946 9.598 ( -1.045 4.143 -0.029) 4.273 9.650 ( 0.899 5.963 -0.613) 6.061 11.904 ( 0.002 -8.677 0.129) 8.678 11.914 ( -0.027 -8.489 -0.320) 8.495 12.452 ( 1.264 -3.754 2.644) 4.763 12.481 ( -0.901 -3.748 -2.872) 4.807 13.712 ( -1.135 19.529 -1.010) 19.588 13.824 ( 6.749 24.956 2.051) 25.934 15.262 ( 2.736 -23.397 4.169) 23.923 15.304 ( -0.962 -25.656 -5.995) 26.364 15.414 ( -0.333 5.318 0.281) 5.336 15.437 ( 0.438 2.838 0.037) 2.872 16.407 ( -0.193 18.063 0.575) 18.073 16.478 ( 1.778 19.697 -1.849) 19.863 18.538 ( -0.191 4.843 1.328) 5.025 18.584 ( -1.018 4.307 -1.700) 4.741 22.957 ( -0.908 -9.932 2.993) 10.413 23.021 ( -0.294 -8.151 -1.793) 8.351 25.162 ( -0.171 17.411 -0.177) 17.412 25.251 ( 5.568 24.335 0.815) 24.978 28.715 ( 2.038 -3.042 2.832) 4.629 28.739 ( -0.448 -3.026 -4.312) 5.287 31.488 ( 4.228 -4.083 6.504) 8.766 31.623 ( 1.037 -1.299 -13.262) 13.366 32.903 ( -1.120 -4.194 1.197) 4.503 32.956 ( 0.095 -4.847 0.366) 4.862 36.189 ( 2.423 1.649 3.930) 4.902 36.368 ( 0.077 0.786 -9.800) 9.832 37.373 ( -2.679 -10.907 18.867) 21.957 37.657 ( -4.517 -4.389 -9.742) 11.601 ======================= Grid point 131 (50/126) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -15.953 10.774 1.524) 19.311 1.124 ( -19.309 11.910 3.862) 23.013 1.370 ( -6.173 -1.222 -9.321) 11.246 1.531 ( -18.134 9.414 -6.714) 21.506 1.630 ( 3.797 2.013 7.856) 8.955 1.793 ( 0.423 3.550 3.228) 4.817 1.866 ( -0.242 7.059 6.429) 9.551 1.959 ( 0.584 4.822 0.897) 4.939 2.115 ( 3.084 -8.320 -2.894) 9.333 2.255 ( -1.882 6.700 -8.145) 10.713 2.367 ( 1.606 4.502 0.943) 4.872 2.435 ( 3.780 1.410 1.431) 4.280 2.585 ( -0.766 5.320 5.520) 7.704 2.754 ( 1.666 4.243 -9.227) 10.292 2.807 ( 3.621 8.851 -7.270) 12.012 2.926 ( -2.664 8.840 -5.321) 10.656 3.055 ( 3.139 -2.732 9.704) 10.558 3.169 ( -0.900 -2.039 0.568) 2.299 3.239 ( 2.449 0.186 1.689) 2.981 3.727 ( 6.088 -16.386 6.021) 18.488 4.154 ( 0.478 1.370 -2.100) 2.553 4.453 ( 4.965 0.224 2.050) 5.376 5.004 ( -1.593 -1.329 -1.780) 2.733 5.135 ( 3.195 0.313 1.198) 3.426 6.415 ( -1.950 1.635 -0.108) 2.547 6.464 ( -0.467 2.870 -0.008) 2.908 7.647 ( -1.712 2.999 0.863) 3.560 7.784 ( 0.654 4.667 -0.252) 4.719 9.382 ( -2.091 -4.887 -2.263) 5.777 9.454 ( -0.692 -3.196 3.986) 5.156 9.579 ( -0.742 3.961 -0.306) 4.042 9.659 ( 0.059 6.091 -0.021) 6.092 11.897 ( -0.290 -8.848 -0.636) 8.876 11.910 ( 0.073 -8.087 -0.602) 8.110 12.394 ( -2.368 -3.548 -4.188) 5.978 12.524 ( 1.469 -4.109 2.435) 4.997 13.686 ( -0.236 17.209 -1.087) 17.245 14.081 ( 19.343 39.387 2.830) 43.971 15.217 ( -1.704 -27.177 -8.997) 28.678 15.342 ( 2.263 -14.356 2.697) 14.781 15.413 ( 0.025 7.769 0.128) 7.770 15.446 ( 0.259 -6.713 0.471) 6.735 16.384 ( -0.881 17.473 -2.100) 17.620 16.522 ( 2.591 20.042 0.409) 20.213 18.543 ( -0.420 4.387 0.974) 4.513 18.555 ( -0.724 5.685 -0.620) 5.764 22.930 ( -1.936 -9.403 -1.036) 9.656 23.025 ( -0.799 -10.844 3.042) 11.291 25.166 ( 0.574 17.792 0.179) 17.803 25.457 ( 17.401 38.457 0.303) 42.211 28.643 ( -2.550 -3.712 -8.768) 9.857 28.797 ( 2.068 -2.597 2.988) 4.467 31.293 ( -6.850 -2.901 -22.233) 23.445 31.846 ( 9.684 -4.274 13.968) 17.525 32.890 ( -1.032 -3.848 0.797) 4.063 32.949 ( -1.541 -5.355 0.553) 5.600 36.287 ( 2.775 0.897 -1.642) 3.347 36.324 ( 4.858 2.615 -1.111) 5.627 37.239 ( -13.035 -10.216 -6.358) 17.740 37.670 ( -0.476 -10.286 15.015) 18.207 ======================= Grid point 132 (51/126) ======================= q-point: (-0.12 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -2.157 21.366 13.981) 25.625 0.781 ( -16.449 21.094 0.145) 26.749 1.000 ( -22.033 15.170 11.719) 29.204 1.262 ( -2.366 1.405 -15.064) 15.314 1.674 ( -1.856 -3.838 -9.863) 10.745 1.812 ( 0.071 1.112 5.389) 5.503 1.959 ( -0.594 1.648 -0.634) 1.863 1.979 ( 1.109 2.096 4.427) 5.022 2.142 ( 7.329 7.835 3.283) 11.220 2.282 ( 2.555 -1.580 -1.529) 3.371 2.367 ( -2.983 8.963 1.014) 9.501 2.458 ( -0.826 4.792 0.894) 4.945 2.552 ( -4.300 6.802 -9.013) 12.083 2.722 ( 8.601 1.910 -6.022) 10.672 2.774 ( 1.418 3.756 -9.502) 10.316 2.915 ( 4.611 15.481 -3.588) 16.547 3.142 ( -3.683 -2.978 1.439) 4.950 3.222 ( 1.203 -5.220 13.204) 14.249 3.282 ( 0.522 -0.477 4.615) 4.669 3.765 ( -7.891 -21.256 6.652) 23.629 4.180 ( 2.610 0.047 1.648) 3.087 4.520 ( 0.752 -1.192 -0.174) 1.420 4.978 ( -0.169 -0.976 0.356) 1.053 5.208 ( 3.808 1.094 -2.327) 4.594 6.383 ( -1.230 1.201 0.191) 1.730 6.455 ( -0.147 3.727 -1.055) 3.876 7.629 ( -1.131 2.768 1.751) 3.465 7.782 ( -0.460 4.562 -1.091) 4.714 9.347 ( -0.456 -3.710 -0.360) 3.755 9.450 ( -2.076 -2.910 1.146) 3.754 9.573 ( 0.324 2.933 0.695) 3.031 9.643 ( -1.878 5.832 0.300) 6.134 11.895 ( 0.515 -8.466 -0.182) 8.484 11.909 ( 0.401 -7.912 -0.532) 7.940 12.339 ( -0.397 -2.064 0.057) 2.103 12.552 ( 0.017 -4.576 0.614) 4.617 13.692 ( 0.922 17.169 1.036) 17.225 14.621 ( 36.954 51.744 -25.103) 68.361 15.109 ( -0.031 -26.308 1.005) 26.327 15.391 ( 1.308 -1.322 0.933) 2.081 15.416 ( 0.247 8.161 -0.110) 8.166 15.449 ( -0.506 -20.598 0.334) 20.607 16.366 ( 0.868 16.598 1.310) 16.672 16.560 ( 0.499 19.513 0.368) 19.523 18.536 ( -0.647 5.727 0.600) 5.794 18.552 ( 0.848 7.057 -0.695) 7.141 22.894 ( -0.298 -8.683 -1.156) 8.765 22.998 ( -5.744 -14.406 3.276) 15.851 25.186 ( 0.842 19.492 1.510) 19.569 25.965 ( 40.211 57.423 -25.654) 74.649 28.524 ( -0.962 -2.539 0.642) 2.790 28.841 ( 0.344 -2.758 1.627) 3.220 31.032 ( -1.831 2.045 1.159) 2.980 32.081 ( 1.532 -8.809 10.821) 14.037 32.876 ( -1.013 -3.771 0.400) 3.925 32.904 ( -2.983 -5.107 0.125) 5.915 36.290 ( 1.998 1.600 -1.291) 2.867 36.543 ( 14.588 2.744 1.987) 14.976 36.914 ( -12.767 -6.037 -7.661) 16.067 37.666 ( -16.038 -24.348 7.807) 30.182 ======================= Grid point 133 (52/126) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -10.567 13.049 12.011) 20.645 0.923 ( -9.692 24.043 -4.886) 26.380 1.248 ( 5.644 7.217 -13.339) 16.182 1.437 ( 2.894 -3.415 -14.960) 15.615 1.732 ( 10.706 22.002 15.056) 28.730 1.903 ( -2.630 0.425 3.214) 4.175 1.920 ( 0.151 4.630 7.327) 8.668 2.054 ( -0.053 4.615 -1.902) 4.992 2.237 ( 2.825 -2.908 -5.296) 6.670 2.359 ( -4.592 6.410 -0.350) 7.893 2.454 ( 0.962 2.958 0.277) 3.123 2.530 ( 0.209 5.886 -7.701) 9.695 2.753 ( -2.183 7.144 -0.192) 7.473 2.844 ( 4.908 5.915 -2.908) 8.217 2.935 ( 0.044 4.953 8.237) 9.611 3.047 ( -0.170 -1.573 3.428) 3.775 3.166 ( 0.127 2.030 3.225) 3.813 3.210 ( 1.416 1.586 1.120) 2.403 3.281 ( -2.607 -6.593 6.772) 9.805 3.516 ( -2.672 10.346 -7.850) 13.259 4.263 ( 1.746 1.515 5.658) 6.113 4.511 ( -1.919 2.818 -4.663) 5.777 4.978 ( 1.266 -1.942 2.918) 3.727 5.165 ( -1.497 -3.102 -4.781) 5.892 6.482 ( 0.667 10.817 0.967) 10.881 6.571 ( -0.910 11.459 -2.803) 11.832 7.723 ( 0.374 5.516 3.162) 6.369 7.865 ( -0.665 6.977 -2.371) 7.399 9.279 ( 1.055 -4.952 1.499) 5.280 9.357 ( -0.964 -3.846 -1.489) 4.235 9.701 ( 1.230 6.707 3.154) 7.512 9.778 ( -0.712 9.306 -0.266) 9.337 11.671 ( 0.036 -14.282 0.239) 14.284 11.694 ( 0.050 -13.589 -0.586) 13.602 12.284 ( 1.764 -8.330 2.456) 8.862 12.383 ( -1.286 -11.080 -1.415) 11.243 14.126 ( 2.397 16.010 7.073) 17.666 14.520 ( -1.668 -20.733 -3.576) 21.105 14.813 ( -0.697 -28.665 -0.212) 28.675 15.109 ( -2.916 -5.061 -19.446) 20.305 15.622 ( -0.116 13.242 0.289) 13.246 15.653 ( 0.523 12.712 -1.846) 12.856 16.728 ( 2.484 9.865 4.457) 11.107 16.828 ( -1.069 10.721 -0.849) 10.808 18.743 ( -0.971 15.692 1.216) 15.769 18.859 ( 2.209 18.696 -4.130) 19.274 22.655 ( -1.850 -14.662 1.742) 14.880 22.690 ( 1.649 -14.955 0.048) 15.045 25.764 ( 0.722 30.639 8.852) 31.900 26.722 ( -6.119 27.098 -39.496) 48.287 28.595 ( 7.895 -9.889 7.564) 14.742 28.736 ( -2.181 -6.678 -1.201) 7.127 31.358 ( 17.073 -8.078 19.213) 26.942 31.774 ( -9.325 -11.108 -2.728) 14.758 32.743 ( 0.209 -7.619 0.314) 7.628 32.764 ( -0.315 -7.224 -0.454) 7.245 36.399 ( 3.502 2.595 3.159) 5.383 36.590 ( -5.819 -0.214 -3.881) 6.998 36.883 ( -4.466 -3.011 2.587) 5.975 37.005 ( 1.727 -5.603 -1.510) 6.054 ======================= Grid point 134 (53/126) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 2.063 11.752 6.812) 13.740 0.858 ( 3.789 11.706 7.980) 14.665 1.256 ( 7.220 11.037 -11.212) 17.310 1.470 ( 8.554 -0.030 -8.641) 12.159 1.866 ( -2.855 2.214 -0.270) 3.623 1.922 ( 2.011 1.331 3.276) 4.068 1.965 ( -6.728 9.265 -0.595) 11.465 2.138 ( 8.372 17.315 14.387) 24.019 2.213 ( 0.023 -2.753 -5.248) 5.926 2.294 ( 2.641 5.921 -3.625) 7.428 2.419 ( -2.177 4.588 -5.791) 7.702 2.500 ( -1.121 4.982 -1.463) 5.312 2.636 ( -7.038 4.252 -2.901) 8.719 2.887 ( -1.042 6.471 2.953) 7.189 2.966 ( 0.154 5.615 1.733) 5.878 3.059 ( -1.862 1.239 -0.379) 2.269 3.212 ( 1.560 -0.838 2.852) 3.357 3.258 ( 1.421 5.198 4.011) 6.717 3.341 ( 2.159 -6.490 3.979) 7.913 3.390 ( -3.751 3.545 -4.811) 7.055 4.336 ( -0.229 2.038 4.868) 5.282 4.423 ( -1.811 3.487 -4.272) 5.805 5.029 ( 0.765 -2.065 3.493) 4.129 5.075 ( -2.743 -1.982 -4.644) 5.747 6.515 ( 1.106 11.449 0.756) 11.527 6.538 ( 0.516 10.720 -1.703) 10.866 7.768 ( 1.113 6.109 3.761) 7.260 7.836 ( 0.043 6.249 -3.043) 6.951 9.307 ( -0.288 -4.452 -0.473) 4.486 9.334 ( 0.895 -4.974 0.692) 5.101 9.704 ( -1.749 8.018 0.090) 8.207 9.810 ( 2.344 7.776 1.185) 8.208 11.669 ( -0.237 -13.726 0.105) 13.729 11.690 ( -0.011 -14.061 -0.460) 14.069 12.325 ( -1.358 -9.811 -1.262) 9.984 12.355 ( 1.540 -10.229 1.459) 10.447 14.226 ( -0.578 12.790 8.450) 15.341 14.402 ( -4.568 4.545 -8.493) 10.661 14.761 ( -4.320 -24.283 -1.252) 24.696 14.894 ( -3.835 -20.337 -5.945) 21.532 15.621 ( -0.137 13.146 0.185) 13.148 15.643 ( -0.176 13.122 -0.781) 13.146 16.736 ( -2.576 11.209 -0.041) 11.501 16.846 ( 1.662 9.421 0.678) 9.590 18.728 ( -1.097 15.245 0.647) 15.298 18.832 ( -1.423 17.447 -2.463) 17.677 22.631 ( -0.792 -13.826 0.272) 13.852 22.752 ( 3.176 -16.503 0.679) 16.819 25.833 ( -3.475 31.655 12.287) 34.134 26.202 ( -15.042 34.341 -22.753) 43.855 28.645 ( -3.861 -6.791 -3.569) 8.588 28.735 ( 1.755 -9.317 2.770) 9.877 31.470 ( -10.696 -5.225 -7.302) 13.965 31.845 ( 9.754 -20.019 11.811) 25.207 32.752 ( 0.206 -7.506 -0.046) 7.509 32.772 ( 1.561 -7.829 -0.036) 7.984 36.457 ( -6.216 2.047 -6.433) 9.176 36.511 ( 2.974 1.404 5.909) 6.763 36.617 ( -6.275 0.635 0.573) 6.333 37.315 ( 15.892 -9.409 1.910) 18.567 ======================= Grid point 135 (54/126) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 8.430 6.031 4.674) 11.370 1.165 ( 15.796 -2.729 11.793) 19.901 1.362 ( 9.398 12.756 -3.439) 16.213 1.560 ( 7.646 5.593 -9.667) 13.535 1.753 ( -3.053 9.982 -2.950) 10.848 1.905 ( -2.248 0.323 5.756) 6.188 1.979 ( 0.470 1.388 -0.480) 1.542 2.083 ( -6.408 -1.236 -2.038) 6.837 2.285 ( -5.041 6.404 -3.865) 9.020 2.349 ( 8.453 2.394 -6.969) 11.214 2.381 ( -6.704 4.381 -0.349) 8.016 2.431 ( 2.568 6.736 2.654) 7.682 2.542 ( -1.819 6.576 5.386) 8.692 2.884 ( 0.817 3.340 -0.437) 3.466 2.992 ( 0.636 2.830 1.320) 3.187 3.015 ( -0.148 9.134 -5.274) 10.548 3.198 ( -2.442 14.662 -2.340) 15.048 3.259 ( -3.904 -11.702 -2.604) 12.608 3.312 ( 0.546 6.716 3.332) 7.517 3.428 ( -1.887 -5.157 8.121) 9.803 4.278 ( -3.262 3.367 -3.910) 6.104 4.428 ( -0.270 4.186 3.842) 5.689 4.998 ( -1.478 -0.983 -2.432) 3.011 5.063 ( -0.142 -2.310 2.110) 3.132 6.512 ( 0.304 10.018 -1.094) 10.083 6.582 ( 2.380 11.666 1.093) 11.956 7.802 ( 0.112 5.637 -0.369) 5.650 7.831 ( 0.889 6.482 1.000) 6.619 9.277 ( -0.677 -4.788 -1.753) 5.144 9.394 ( 2.916 -6.881 2.298) 7.819 9.669 ( -1.284 6.641 -1.066) 6.848 9.842 ( 0.114 9.083 0.479) 9.096 11.665 ( -0.158 -13.835 -0.271) 13.839 11.688 ( 0.107 -13.619 -0.099) 13.620 12.277 ( -1.227 -8.206 -1.924) 8.517 12.401 ( 1.153 -11.083 1.363) 11.226 14.134 ( -5.512 14.593 -6.012) 16.718 14.374 ( -1.208 14.311 9.104) 17.004 14.655 ( -4.598 -22.232 -3.043) 22.906 14.841 ( -1.114 -26.979 0.518) 27.007 15.617 ( -0.367 13.085 -0.079) 13.091 15.640 ( 0.383 13.198 -0.294) 13.207 16.686 ( -1.507 12.323 -1.382) 12.491 16.860 ( -0.536 10.700 0.308) 10.718 18.720 ( -0.220 13.719 0.240) 13.722 18.787 ( -1.334 15.955 -1.175) 16.054 22.633 ( 0.715 -14.544 0.218) 14.563 22.802 ( 1.468 -17.373 0.063) 17.435 25.815 ( -7.591 31.787 6.753) 33.371 25.845 ( -8.714 31.721 -6.428) 33.518 28.546 ( -2.061 -5.705 -4.259) 7.412 28.757 ( -0.728 -7.472 1.295) 7.618 31.256 ( -3.733 1.533 -7.456) 8.478 31.963 ( -3.005 -15.925 4.356) 16.781 32.762 ( 0.355 -8.338 0.852) 8.389 32.801 ( 1.322 -7.931 -0.224) 8.044 36.283 ( -6.597 3.767 -1.090) 7.674 36.534 ( 2.838 -0.543 -7.934) 8.444 36.705 ( 4.768 -1.228 10.005) 11.151 37.570 ( 8.548 -13.888 1.651) 16.391 ======================= Grid point 136 (55/126) ======================= q-point: ( 0.38 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 10.017 1.535 4.210) 10.973 1.462 ( 4.568 10.868 -7.486) 13.965 1.526 ( 8.978 -5.572 6.450) 12.380 1.651 ( 7.861 16.661 0.964) 18.447 1.771 ( 1.661 -2.313 -0.006) 2.847 1.847 ( -4.335 0.952 -4.792) 6.532 1.922 ( -0.159 -3.450 5.924) 6.857 2.066 ( 1.018 6.011 0.495) 6.116 2.140 ( -4.444 8.125 -4.418) 10.261 2.247 ( -5.358 4.179 1.939) 7.067 2.373 ( -2.438 0.163 0.130) 2.447 2.529 ( 5.937 -1.731 -1.122) 6.285 2.579 ( 1.185 2.974 2.430) 4.019 2.898 ( -0.360 3.090 -5.317) 6.160 2.947 ( 1.004 2.567 -4.318) 5.123 2.997 ( -2.984 3.886 -1.147) 5.032 3.142 ( -1.271 9.054 2.174) 9.397 3.214 ( 1.354 3.783 -1.221) 4.199 3.339 ( -0.043 11.923 1.451) 12.011 3.386 ( -7.784 -3.147 4.627) 9.587 4.209 ( -0.861 3.507 -1.406) 3.875 4.427 ( -2.202 5.412 1.035) 5.934 4.976 ( 0.138 -0.553 -0.150) 0.590 5.066 ( -0.598 -2.375 0.509) 2.501 6.519 ( 0.742 9.429 0.371) 9.466 6.624 ( 1.282 11.798 -0.069) 11.868 7.799 ( 0.496 4.921 -0.748) 5.002 7.849 ( -0.365 7.113 1.044) 7.198 9.265 ( 0.411 -5.379 -0.316) 5.404 9.453 ( 1.489 -9.088 -0.567) 9.226 9.647 ( -0.266 6.540 0.744) 6.587 9.829 ( -1.046 9.651 -0.699) 9.733 11.662 ( 0.120 -14.023 0.019) 14.024 11.691 ( 0.195 -13.406 -0.060) 13.407 12.259 ( 0.219 -7.448 0.263) 7.456 12.417 ( 0.027 -11.039 -0.293) 11.042 14.038 ( -0.923 16.170 -1.453) 16.261 14.381 ( -5.397 22.529 3.609) 23.446 14.576 ( -0.141 -28.288 -0.272) 28.290 14.827 ( -0.910 -28.375 -0.259) 28.391 15.611 ( -0.170 13.190 0.110) 13.192 15.647 ( 0.429 13.163 -0.389) 13.176 16.667 ( 0.084 12.656 0.124) 12.656 16.839 ( -1.119 11.822 -0.936) 11.912 18.717 ( -0.386 13.357 0.311) 13.366 18.768 ( 0.143 14.061 -1.040) 14.100 22.656 ( 0.955 -15.287 1.184) 15.362 22.812 ( 0.093 -17.531 -0.902) 17.554 25.680 ( -2.588 29.221 -3.254) 29.515 25.736 ( -6.827 30.067 4.323) 31.134 28.514 ( 0.865 -5.273 -0.655) 5.383 28.740 ( -1.373 -6.507 -0.433) 6.664 31.209 ( 1.815 3.353 -0.568) 3.855 31.870 ( -5.822 -9.753 -3.349) 11.842 32.775 ( -0.022 -8.542 1.438) 8.662 32.817 ( 0.609 -7.870 -0.296) 7.899 36.196 ( -2.899 3.519 1.408) 4.771 36.509 ( 2.619 -0.735 -11.084) 11.412 36.890 ( 3.617 -3.861 14.120) 15.078 37.665 ( 2.033 -15.048 -2.744) 15.431 ======================= Grid point 137 (56/126) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 2.059 1.043 5.853) 6.291 1.470 ( -2.042 2.222 -2.422) 3.870 1.508 ( -0.395 4.637 -4.847) 6.720 1.678 ( -4.182 7.502 -2.198) 8.866 1.811 ( 1.277 0.039 -0.565) 1.397 1.856 ( 1.727 0.178 2.436) 2.991 1.990 ( -1.113 2.404 1.986) 3.311 2.064 ( 2.434 5.347 -4.322) 7.294 2.111 ( 0.376 4.242 3.038) 5.231 2.210 ( -0.240 6.193 7.217) 9.512 2.405 ( 3.655 -2.008 4.832) 6.383 2.512 ( -3.917 -2.430 2.071) 5.053 2.719 ( 8.887 -0.715 -2.505) 9.261 2.762 ( -7.509 -1.445 -4.060) 8.657 2.894 ( -0.228 5.710 -7.610) 9.517 2.994 ( 6.806 4.237 -6.900) 10.577 3.192 ( 1.386 14.017 5.234) 15.027 3.229 ( -8.364 -0.419 1.989) 8.607 3.255 ( 0.329 0.587 1.519) 1.662 3.332 ( -1.101 14.573 -0.515) 14.623 4.236 ( 2.786 3.991 2.515) 5.479 4.368 ( -2.579 5.613 -2.694) 6.739 4.995 ( 1.009 -0.780 1.493) 1.963 5.052 ( -0.652 -2.190 -0.752) 2.406 6.543 ( 0.691 9.715 1.703) 9.887 6.624 ( -0.640 11.303 -1.394) 11.407 7.806 ( -0.454 5.799 0.671) 5.856 7.840 ( 0.146 6.196 -0.574) 6.224 9.288 ( 1.308 -5.619 1.614) 5.991 9.423 ( -2.120 -8.388 -3.902) 9.491 9.678 ( 1.175 6.150 3.079) 6.977 9.800 ( -0.601 9.089 -1.959) 9.317 11.670 ( 0.293 -14.071 0.515) 14.084 11.691 ( -0.040 -13.742 -0.279) 13.745 12.287 ( 1.252 -8.036 2.383) 8.475 12.398 ( -0.935 -10.499 -1.904) 10.711 14.074 ( 3.678 16.793 3.292) 17.503 14.258 ( -5.137 19.017 -4.153) 20.132 14.631 ( 2.579 -25.731 4.408) 26.233 14.796 ( -1.100 -28.085 -2.336) 28.204 15.613 ( 0.119 13.229 0.483) 13.238 15.646 ( -0.014 13.231 -0.707) 13.250 16.688 ( 0.914 12.690 2.029) 12.883 16.807 ( -0.535 12.206 -2.459) 12.463 18.714 ( -0.212 13.678 0.554) 13.691 18.764 ( 0.258 13.374 -1.286) 13.438 22.684 ( 0.301 -15.871 2.307) 16.041 22.796 ( -0.316 -17.152 -1.941) 17.264 25.654 ( -3.242 28.612 0.686) 28.803 25.676 ( 3.337 28.892 -0.165) 29.085 28.557 ( 2.300 -5.483 2.773) 6.561 28.700 ( -1.483 -6.353 -2.558) 7.007 31.296 ( 4.227 1.906 6.306) 7.827 31.713 ( -4.386 -5.679 -9.871) 12.203 32.783 ( -0.415 -8.235 1.485) 8.378 32.823 ( 0.280 -8.097 -0.279) 8.106 36.185 ( -0.158 3.153 2.856) 4.257 36.454 ( 1.279 0.166 -10.670) 10.748 37.061 ( 0.352 -7.252 16.713) 18.222 37.619 ( -1.648 -13.327 -7.822) 15.540 ======================= Grid point 138 (57/126) ======================= q-point: (-0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -13.755 9.207 3.647) 16.949 1.418 ( -7.449 -3.100 -1.053) 8.136 1.478 ( -2.989 0.813 0.977) 3.249 1.661 ( -1.163 8.149 1.832) 8.433 1.785 ( 4.041 -1.290 -3.444) 5.464 1.891 ( 1.412 0.336 2.825) 3.176 1.980 ( -1.127 6.381 2.450) 6.927 2.012 ( -2.836 5.149 -4.887) 7.645 2.137 ( -2.177 2.480 -1.893) 3.804 2.319 ( 4.458 1.693 1.470) 4.990 2.434 ( -3.322 3.312 0.700) 4.742 2.540 ( 3.823 4.527 6.974) 9.151 2.587 ( -5.293 2.678 -2.222) 6.334 2.822 ( 4.832 0.259 -4.083) 6.332 2.902 ( 6.453 -0.273 -9.467) 11.460 3.044 ( -3.993 6.654 -0.448) 7.773 3.132 ( 2.943 -4.386 -1.298) 5.439 3.219 ( -3.514 10.181 2.641) 11.090 3.294 ( 1.907 16.053 3.233) 16.486 3.349 ( 3.633 -0.194 2.965) 4.693 4.258 ( -2.207 4.960 -2.429) 5.947 4.377 ( 5.052 4.023 2.088) 6.787 5.011 ( -0.913 -1.719 -0.580) 2.031 5.052 ( 1.848 -1.414 0.940) 2.510 6.563 ( -0.791 10.873 0.998) 10.947 6.589 ( -0.882 10.403 -0.687) 10.463 7.775 ( -2.285 6.032 -0.335) 6.459 7.865 ( 1.662 5.905 0.627) 6.166 9.333 ( 0.899 -5.553 2.493) 6.153 9.339 ( -2.417 -7.058 -3.315) 8.164 9.711 ( -0.461 7.233 1.511) 7.404 9.785 ( 0.940 7.679 -1.542) 7.888 11.675 ( -0.242 -13.999 0.141) 14.002 11.688 ( 0.158 -13.963 -0.165) 13.965 12.331 ( 0.335 -9.339 1.596) 9.480 12.357 ( -0.615 -9.645 -1.637) 9.802 14.113 ( -2.932 16.807 -3.402) 17.397 14.267 ( 9.335 15.207 4.804) 18.479 14.706 ( 0.798 -27.100 1.851) 27.175 14.771 ( 2.119 -23.925 -1.598) 24.072 15.621 ( 0.103 13.201 0.553) 13.213 15.637 ( -0.154 13.277 -0.820) 13.303 16.712 ( -0.477 12.513 0.843) 12.550 16.795 ( 1.667 12.109 -1.684) 12.339 18.718 ( 0.131 13.929 0.560) 13.941 18.757 ( 0.379 14.404 -1.295) 14.467 22.699 ( -1.044 -16.193 2.378) 16.400 22.773 ( -0.228 -16.796 -2.090) 16.927 25.618 ( -0.381 27.592 -0.582) 27.600 25.827 ( 12.172 31.712 1.701) 34.010 28.621 ( -0.127 -6.552 -0.390) 6.564 28.653 ( 1.000 -5.872 -0.719) 6.000 31.419 ( -0.409 -2.202 2.215) 3.149 31.581 ( 2.332 -2.394 -6.028) 6.893 32.784 ( -0.625 -7.735 1.187) 7.850 32.822 ( -0.281 -8.665 -0.214) 8.672 36.234 ( 2.678 2.930 3.165) 5.077 36.391 ( 0.719 1.460 -8.397) 8.553 37.144 ( -6.612 -11.403 14.382) 19.508 37.510 ( -1.643 -10.050 -7.436) 12.609 ======================= Grid point 139 (58/126) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -6.820 18.069 8.686) 21.177 1.223 ( -16.087 2.567 10.286) 19.266 1.357 ( -2.760 -0.697 -9.877) 10.279 1.661 ( -1.509 1.836 2.649) 3.559 1.828 ( -7.030 13.143 -9.274) 17.555 1.837 ( -0.266 0.242 -4.750) 4.763 1.967 ( -3.850 -0.410 0.018) 3.872 2.001 ( 3.673 3.598 1.580) 5.379 2.083 ( 6.024 7.088 2.498) 9.632 2.309 ( -3.642 2.389 -2.815) 5.186 2.457 ( 3.576 1.215 0.269) 3.786 2.544 ( 2.095 5.228 -1.157) 5.750 2.668 ( 2.099 3.885 3.800) 5.826 2.821 ( 1.414 1.536 -7.825) 8.099 2.955 ( 3.441 1.155 -4.033) 5.426 2.987 ( -3.214 2.797 7.669) 8.773 3.146 ( 0.772 0.256 -3.659) 3.748 3.162 ( -2.669 9.317 1.619) 9.826 3.324 ( -1.043 6.876 2.438) 7.370 3.512 ( 6.503 1.542 4.383) 7.992 4.201 ( -0.991 3.510 -2.054) 4.186 4.492 ( 4.105 3.328 2.027) 5.660 4.976 ( -1.413 -1.509 -1.281) 2.432 5.117 ( 3.573 -1.916 0.962) 4.166 6.519 ( -2.167 10.385 -1.063) 10.662 6.597 ( 0.235 11.478 1.057) 11.529 7.730 ( -2.032 5.332 0.199) 5.709 7.896 ( 0.745 6.538 0.476) 6.598 9.274 ( -1.320 -6.125 -1.966) 6.567 9.372 ( 0.255 -5.112 2.426) 5.664 9.688 ( -1.256 6.938 -1.382) 7.185 9.801 ( 0.372 8.248 0.855) 8.301 11.667 ( -0.243 -14.146 -0.299) 14.151 11.693 ( 0.260 -13.502 -0.086) 13.505 12.289 ( -1.694 -8.204 -2.429) 8.722 12.385 ( 0.858 -10.743 1.867) 10.937 14.046 ( -0.780 16.063 -2.587) 16.289 14.508 ( 6.825 -9.627 4.793) 12.737 14.728 ( 4.711 -18.441 -1.788) 19.117 14.868 ( 8.907 -11.741 0.316) 14.740 15.623 ( -0.232 13.062 0.221) 13.066 15.633 ( 0.526 13.440 -0.695) 13.468 16.684 ( -1.271 12.466 -1.875) 12.670 16.832 ( 1.800 11.368 0.638) 11.527 18.728 ( 0.325 14.505 0.760) 14.528 18.767 ( 2.152 16.626 -1.743) 16.855 22.681 ( -1.724 -15.723 0.272) 15.819 22.752 ( -1.266 -16.957 0.019) 17.005 25.628 ( 1.499 27.787 0.447) 27.831 26.200 ( 26.399 33.945 0.128) 43.002 28.540 ( -3.022 -6.766 -6.316) 9.737 28.716 ( 2.010 -5.838 2.686) 6.733 31.260 ( -6.649 0.199 -11.736) 13.490 31.732 ( 6.128 -6.526 9.022) 12.709 32.780 ( -0.683 -7.297 0.777) 7.370 32.803 ( -1.495 -9.141 -0.283) 9.267 36.320 ( 2.557 2.324 -1.873) 3.931 36.382 ( 6.019 3.049 -0.825) 6.798 37.022 ( -12.319 -10.384 3.186) 16.424 37.450 ( -4.036 -11.610 2.141) 12.476 ======================= Grid point 140 (59/126) ======================= q-point: (-0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -14.913 8.616 11.831) 20.895 1.112 ( -3.925 22.308 5.076) 23.213 1.261 ( 2.972 2.720 -11.366) 12.059 1.555 ( -3.843 17.821 -2.657) 18.424 1.591 ( -4.904 3.601 -12.503) 13.905 1.849 ( 0.231 0.400 7.942) 7.955 1.923 ( -2.220 1.346 2.522) 3.619 2.067 ( 2.077 4.041 -3.320) 5.627 2.228 ( 1.148 -2.601 -2.029) 3.493 2.284 ( 6.850 6.997 3.155) 10.288 2.478 ( -1.232 2.099 -0.373) 2.463 2.582 ( 1.311 2.678 -1.963) 3.570 2.725 ( 3.059 4.506 1.131) 5.562 2.790 ( 0.935 4.343 -2.923) 5.318 2.919 ( -0.539 11.731 -4.945) 12.742 3.036 ( -0.509 -3.771 6.541) 7.567 3.124 ( -1.329 4.537 3.887) 6.120 3.184 ( 2.461 1.295 -0.908) 2.925 3.304 ( -3.974 0.648 5.231) 6.601 3.591 ( 0.383 5.897 -2.208) 6.308 4.200 ( 0.955 2.199 2.105) 3.191 4.547 ( 1.019 2.725 -1.160) 3.132 4.952 ( -0.315 -1.608 0.460) 1.702 5.182 ( 2.637 -3.032 -1.698) 4.363 6.482 ( -1.030 10.380 -0.137) 10.432 6.600 ( -0.212 11.761 -0.976) 11.804 7.708 ( -1.001 5.178 1.730) 5.550 7.894 ( -0.654 6.913 -0.903) 7.002 9.257 ( 0.341 -5.356 -0.043) 5.367 9.379 ( -0.694 -4.384 0.336) 4.451 9.666 ( 0.045 6.312 0.338) 6.321 9.801 ( -1.263 9.518 1.020) 9.656 11.666 ( 0.225 -14.292 -0.031) 14.294 11.696 ( 0.210 -13.276 -0.351) 13.282 12.256 ( -0.173 -7.283 -0.131) 7.287 12.402 ( -0.183 -11.368 0.350) 11.375 14.049 ( 1.539 16.149 1.572) 16.298 14.555 ( -0.801 -28.005 0.027) 28.016 14.802 ( 2.133 -27.391 -0.230) 27.475 15.122 ( 15.428 2.579 -9.812) 18.465 15.621 ( -0.071 13.194 0.181) 13.196 15.644 ( 1.468 13.229 -1.336) 13.377 16.662 ( 0.388 12.603 0.930) 12.643 16.852 ( -0.471 10.472 0.475) 10.494 18.741 ( 0.011 15.232 1.295) 15.287 18.815 ( 4.724 18.937 -3.294) 19.793 22.655 ( -0.586 -15.330 -0.064) 15.341 22.717 ( -2.841 -15.901 1.101) 16.190 25.681 ( 2.087 29.006 3.815) 29.330 26.750 ( 31.298 25.932 -20.001) 45.300 28.447 ( -0.998 -5.376 0.705) 5.514 28.755 ( 0.197 -6.206 1.086) 6.303 31.096 ( -1.512 4.637 1.315) 5.051 31.864 ( -0.727 -11.667 6.289) 13.274 32.761 ( -1.905 -8.193 -0.011) 8.412 32.775 ( -0.600 -7.486 -0.055) 7.510 36.335 ( 2.112 2.904 -0.895) 3.701 36.593 ( 14.011 1.930 0.814) 14.167 36.792 ( -10.869 -5.480 -1.145) 12.226 37.306 ( -14.556 -13.529 2.708) 20.056 ======================= Grid point 141 (60/126) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -5.205 12.686 4.095) 14.311 1.352 ( 2.336 6.568 -10.696) 12.767 1.413 ( -5.963 12.362 -7.390) 15.588 1.439 ( 6.953 12.430 -6.126) 15.504 1.823 ( -2.507 -1.327 7.449) 7.971 1.964 ( 0.431 4.499 1.544) 4.776 2.132 ( 1.672 0.426 -2.820) 3.306 2.161 ( 1.144 5.484 1.013) 5.693 2.262 ( 5.854 12.643 5.251) 14.889 2.444 ( -2.994 1.591 1.733) 3.808 2.496 ( -1.603 1.498 2.602) 3.403 2.590 ( 1.084 0.088 -0.157) 1.099 2.766 ( 4.262 -6.390 2.086) 7.959 2.878 ( -1.681 5.540 -1.758) 6.051 2.979 ( -2.042 -1.418 2.249) 3.352 3.052 ( 0.003 5.425 -1.265) 5.571 3.169 ( -4.359 -2.230 2.354) 5.433 3.223 ( 1.839 0.334 -0.885) 2.068 3.396 ( 0.854 11.402 4.848) 12.420 3.768 ( -0.505 9.912 -9.991) 14.082 4.324 ( 1.566 4.381 6.436) 7.941 4.575 ( -1.537 3.584 -4.131) 5.681 4.929 ( 0.904 -3.053 2.517) 4.059 5.082 ( -1.070 -5.016 -3.518) 6.219 6.844 ( 0.860 26.674 0.986) 26.706 6.924 ( -1.088 25.229 -2.229) 25.351 7.851 ( 0.580 7.525 3.600) 8.362 8.023 ( -0.690 8.932 -3.070) 9.470 9.166 ( 0.901 -6.408 2.051) 6.788 9.267 ( -0.770 -5.133 -1.836) 5.506 9.851 ( 2.022 8.417 3.424) 9.309 9.968 ( -1.724 9.777 -1.233) 10.004 11.363 ( 0.267 -16.594 0.592) 16.607 11.401 ( -0.301 -15.802 -0.855) 15.828 12.015 ( 0.813 -20.523 1.004) 20.564 12.060 ( -0.654 -22.809 -0.735) 22.831 14.087 ( 1.763 -18.616 2.366) 18.848 14.219 ( -2.889 -10.695 -3.281) 11.554 14.438 ( 4.382 -4.315 8.704) 10.658 14.975 ( -4.495 -9.766 -12.911) 16.801 15.902 ( -0.029 14.839 0.198) 14.840 15.917 ( 0.169 14.202 -0.456) 14.211 16.875 ( 1.207 4.917 2.632) 5.707 16.966 ( -0.736 3.624 -1.153) 3.874 19.140 ( -0.851 24.265 1.772) 24.345 19.278 ( 1.277 23.457 -3.770) 23.792 22.307 ( -0.097 -20.535 1.110) 20.565 22.337 ( 0.238 -20.938 -0.117) 20.940 26.353 ( 0.755 28.321 9.641) 29.927 27.112 ( -3.245 14.936 -22.735) 27.395 28.393 ( 4.626 -10.768 6.351) 13.330 28.568 ( -1.975 -10.264 -2.110) 10.663 31.317 ( 6.256 2.684 9.646) 11.806 31.612 ( -4.749 -4.754 -2.966) 7.345 32.567 ( 0.414 -10.167 0.421) 10.184 32.594 ( -0.396 -9.952 -0.593) 9.978 36.455 ( 2.786 2.982 2.505) 4.789 36.588 ( -4.326 0.025 -2.195) 4.851 36.821 ( -4.939 -3.235 0.946) 5.980 36.894 ( 5.405 -5.523 -1.342) 7.844 ======================= Grid point 142 (61/126) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.584 12.565 1.701) 12.693 1.183 ( -4.825 19.364 -4.229) 20.399 1.416 ( 6.480 0.352 -4.651) 7.984 1.552 ( 6.786 13.306 -4.232) 15.524 1.825 ( -1.844 -3.596 4.928) 6.373 1.986 ( 0.413 3.205 1.909) 3.753 2.111 ( -2.115 -3.966 -2.803) 5.297 2.146 ( -1.675 8.095 -2.093) 8.527 2.364 ( -1.857 4.802 0.355) 5.161 2.458 ( 4.473 6.086 4.997) 9.056 2.472 ( -2.244 2.095 1.604) 3.464 2.600 ( -0.660 1.225 -0.034) 1.392 2.737 ( -5.547 7.066 -6.773) 11.250 2.862 ( -1.520 -6.218 4.268) 7.693 2.972 ( 1.253 1.455 0.723) 2.052 3.055 ( 0.108 -0.134 2.013) 2.020 3.110 ( -1.502 -0.840 0.171) 1.729 3.295 ( 3.739 0.303 2.244) 4.371 3.476 ( 2.309 11.212 5.736) 12.804 3.645 ( -2.999 10.414 -9.961) 14.720 4.404 ( 0.313 4.593 4.802) 6.652 4.504 ( -1.090 4.513 -3.611) 5.882 4.977 ( 1.293 -3.087 3.177) 4.615 5.023 ( -1.422 -3.241 -3.829) 5.214 6.878 ( 0.107 26.007 -0.509) 26.013 6.890 ( 0.981 25.835 -0.138) 25.854 7.904 ( 1.235 7.683 4.316) 8.899 7.979 ( -0.690 8.203 -3.838) 9.083 9.199 ( 0.379 -6.445 1.954) 6.745 9.227 ( -1.098 -5.638 -1.807) 6.022 9.876 ( -2.158 9.367 -0.514) 9.626 9.967 ( 2.515 8.222 1.729) 8.770 11.374 ( 0.130 -15.934 0.539) 15.943 11.387 ( -0.213 -16.368 -0.699) 16.385 12.031 ( -0.631 -21.432 -0.638) 21.451 12.050 ( 0.933 -22.105 0.653) 22.134 14.130 ( -1.738 -14.734 -1.250) 14.888 14.163 ( 1.599 -17.431 1.786) 17.595 14.594 ( 2.468 -0.300 10.725) 11.009 14.714 ( -8.939 -5.070 -13.703) 17.129 15.902 ( -0.123 14.959 0.099) 14.959 15.915 ( 0.085 14.415 -0.323) 14.419 16.893 ( -1.222 4.887 0.265) 5.044 16.966 ( 1.456 3.109 0.215) 3.440 19.127 ( -1.862 24.613 1.521) 24.730 19.241 ( -1.722 23.582 -2.959) 23.829 22.297 ( -0.728 -19.964 0.030) 19.977 22.369 ( 1.974 -22.285 0.443) 22.376 26.425 ( -3.497 27.935 12.660) 30.869 26.764 ( -11.822 23.474 -18.121) 31.924 28.478 ( -2.218 -10.199 -2.035) 10.634 28.528 ( 1.896 -11.601 2.283) 11.975 31.417 ( -4.330 0.364 -2.000) 4.784 31.599 ( 6.253 -5.834 5.324) 10.074 32.581 ( -0.061 -9.932 -0.582) 9.950 32.592 ( 1.218 -10.377 0.350) 10.454 36.490 ( -4.197 1.506 -4.434) 6.288 36.541 ( 2.075 1.673 5.037) 5.699 36.624 ( -6.427 0.059 0.112) 6.428 37.123 ( 11.606 -9.743 -0.340) 15.157 ======================= Grid point 143 (62/126) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.395 8.793 -0.538) 10.330 1.200 ( 6.530 6.760 4.139) 10.270 1.520 ( 6.522 -3.504 -2.421) 7.789 1.620 ( 4.000 12.193 -2.946) 13.166 1.833 ( -1.683 -2.307 3.134) 4.239 1.938 ( -4.749 -1.512 -3.416) 6.042 2.083 ( -0.175 3.509 3.553) 4.997 2.106 ( 0.067 9.003 -0.373) 9.011 2.374 ( 1.611 2.104 -0.087) 2.652 2.388 ( -3.828 3.536 -1.610) 5.455 2.516 ( -2.113 0.733 -1.261) 2.568 2.537 ( -6.601 10.805 -7.598) 14.766 2.586 ( -3.162 -3.437 2.589) 5.340 2.863 ( -1.281 -3.899 3.529) 5.413 2.995 ( 1.385 2.543 -2.611) 3.899 3.078 ( -0.425 0.686 2.930) 3.040 3.125 ( 2.506 -0.295 0.398) 2.554 3.368 ( 1.018 0.251 2.856) 3.042 3.516 ( -2.578 11.716 -4.951) 12.978 3.569 ( 2.331 11.528 3.901) 12.392 4.361 ( -2.781 4.810 -3.746) 6.701 4.527 ( 0.989 5.626 3.659) 6.783 4.978 ( -0.441 -1.323 -2.324) 2.711 5.019 ( 0.553 -2.012 2.188) 3.023 6.855 ( -0.254 25.712 -1.246) 25.743 6.941 ( 2.140 25.407 1.401) 25.535 7.930 ( -0.523 7.399 -2.094) 7.707 7.968 ( 0.984 7.345 2.448) 7.805 9.171 ( -1.173 -5.859 -2.194) 6.366 9.244 ( 0.852 -8.120 2.144) 8.442 9.823 ( -1.698 8.887 -1.526) 9.176 10.021 ( 0.907 8.954 1.377) 9.105 11.366 ( -0.357 -16.237 -0.628) 16.253 11.394 ( 0.381 -15.845 0.604) 15.861 12.010 ( -0.472 -20.340 -0.864) 20.364 12.077 ( 0.855 -23.043 0.633) 23.067 14.078 ( -0.957 -17.221 -2.148) 17.380 14.232 ( 2.050 -12.753 3.549) 13.396 14.453 ( -6.800 -4.035 -9.074) 12.036 14.692 ( -1.753 1.947 8.514) 8.908 15.897 ( -0.273 14.966 -0.106) 14.969 15.919 ( 0.457 14.840 -0.128) 14.848 16.863 ( -0.947 5.739 -1.033) 5.907 16.993 ( 0.493 3.246 0.576) 3.334 19.103 ( -1.575 24.512 1.032) 24.584 19.183 ( -1.842 23.822 -1.798) 23.961 22.292 ( 0.155 -20.054 0.030) 20.054 22.400 ( 0.967 -23.276 -0.109) 23.296 26.414 ( -7.477 28.495 9.558) 30.971 26.439 ( -9.012 27.965 -9.224) 30.795 28.403 ( -1.386 -8.822 -3.729) 9.677 28.575 ( 0.273 -11.064 2.137) 11.272 31.319 ( -1.558 5.018 -4.057) 6.638 31.722 ( 1.191 -7.915 3.642) 8.794 32.578 ( 0.221 -10.321 -0.104) 10.324 32.619 ( 1.164 -10.440 0.147) 10.506 36.356 ( -5.823 3.658 -1.000) 6.949 36.534 ( 0.617 0.449 -5.248) 5.303 36.678 ( 3.151 -1.386 8.023) 8.730 37.297 ( 6.849 -13.438 -0.959) 15.113 ======================= Grid point 144 (63/126) ======================= q-point: ( 0.38 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 7.769 3.409 -0.931) 8.535 1.427 ( 9.179 -2.862 6.008) 11.338 1.568 ( 0.396 -4.142 -5.344) 6.772 1.681 ( 3.601 4.598 0.746) 5.887 1.784 ( -4.842 -2.609 5.763) 7.967 1.891 ( 3.949 0.959 -4.666) 6.188 2.071 ( -1.029 10.046 -1.971) 10.289 2.164 ( 1.943 5.229 3.468) 6.569 2.308 ( -3.240 6.845 -3.515) 8.349 2.327 ( -7.581 1.384 -3.828) 8.605 2.381 ( -2.285 6.279 5.489) 8.647 2.485 ( -1.608 -2.032 -0.850) 2.727 2.551 ( 1.226 -5.460 -1.047) 5.693 2.844 ( -3.252 -1.477 1.506) 3.876 2.995 ( 0.872 1.185 -1.908) 2.409 3.079 ( -0.259 5.619 -2.006) 5.972 3.188 ( 3.183 1.134 0.363) 3.398 3.364 ( -2.968 0.930 0.703) 3.189 3.466 ( -0.301 11.986 0.093) 11.990 3.633 ( 1.219 11.874 1.797) 12.071 4.301 ( -0.390 5.718 -1.103) 5.837 4.547 ( -1.227 6.679 0.877) 6.847 4.968 ( 0.477 -0.490 -0.269) 0.735 5.034 ( -0.127 -0.724 0.613) 0.957 6.853 ( 0.423 25.403 0.417) 25.409 6.980 ( 0.975 24.894 -0.051) 24.913 7.912 ( 0.418 6.598 -1.135) 6.708 7.991 ( -0.451 7.304 1.228) 7.420 9.147 ( 0.075 -6.511 -0.812) 6.562 9.266 ( 0.026 -9.751 0.164) 9.752 9.800 ( -0.174 8.858 0.651) 8.883 10.022 ( -0.787 9.676 -0.902) 9.750 11.359 ( 0.055 -16.408 -0.053) 16.408 11.401 ( 0.023 -15.641 0.093) 15.641 12.004 ( 0.220 -19.902 0.215) 19.905 12.089 ( 0.223 -23.329 -0.231) 23.332 14.068 ( 0.982 -18.550 -0.209) 18.577 14.273 ( -1.265 3.955 -0.405) 4.172 14.329 ( -0.015 -18.632 -0.608) 18.642 14.672 ( -4.807 4.752 2.669) 7.267 15.893 ( -0.079 15.088 0.127) 15.088 15.927 ( 0.426 14.954 -0.320) 14.963 16.851 ( 0.143 6.100 0.211) 6.105 16.992 ( -0.491 4.005 -0.580) 4.077 19.087 ( -0.816 24.086 0.799) 24.113 19.147 ( -0.623 23.724 -1.242) 23.765 22.302 ( 0.478 -20.568 0.753) 20.587 22.405 ( 0.125 -23.569 -0.814) 23.584 26.265 ( -2.875 29.241 -4.073) 29.663 26.329 ( -7.434 29.336 4.922) 30.661 28.380 ( 0.856 -8.461 -0.651) 8.529 28.576 ( -0.975 -10.202 0.011) 10.248 31.302 ( 1.421 6.265 -0.039) 6.424 31.714 ( -2.237 -5.367 -1.649) 6.044 32.586 ( 0.267 -10.579 0.726) 10.607 32.635 ( 0.522 -10.450 -0.191) 10.465 36.273 ( -2.934 4.216 1.062) 5.245 36.502 ( 1.643 0.128 -8.008) 8.176 36.810 ( 1.939 -4.105 10.958) 11.861 37.367 ( 2.484 -14.731 -3.347) 15.309 ======================= Grid point 145 (64/126) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 7.413 -1.624 -1.307) 7.701 1.461 ( -3.871 -5.756 -4.437) 8.234 1.522 ( -5.551 4.758 4.085) 8.375 1.742 ( 1.279 0.020 1.356) 1.864 1.807 ( -0.292 -2.069 6.609) 6.931 1.953 ( 0.855 6.528 -4.116) 7.764 2.025 ( 1.313 1.432 -2.238) 2.964 2.168 ( -1.710 5.927 -0.600) 6.198 2.222 ( 1.154 -0.867 0.599) 1.563 2.245 ( -0.702 4.320 -3.686) 5.723 2.432 ( -2.435 -1.163 2.652) 3.783 2.489 ( 4.841 7.723 9.770) 13.362 2.574 ( 1.183 -9.699 -4.337) 10.690 2.808 ( -0.055 3.736 1.360) 3.976 2.982 ( -1.728 2.355 -3.046) 4.220 3.042 ( 1.729 3.765 -5.722) 7.065 3.228 ( -1.208 1.584 0.968) 2.215 3.293 ( -2.356 3.117 -1.179) 4.081 3.504 ( 2.342 11.978 3.710) 12.756 3.627 ( -1.890 11.340 -1.339) 11.574 4.341 ( 3.171 6.512 3.235) 7.933 4.496 ( -2.856 7.251 -2.868) 8.305 4.985 ( 0.701 -0.273 1.127) 1.355 5.028 ( -0.465 -0.287 -0.527) 0.760 6.876 ( 0.841 25.065 1.975) 25.156 6.973 ( -0.895 24.755 -1.691) 24.829 7.928 ( 0.856 6.693 0.820) 6.797 7.973 ( -1.065 6.993 -0.860) 7.126 9.163 ( 1.474 -6.900 0.972) 7.123 9.241 ( -1.619 -9.703 -2.075) 10.053 9.827 ( 1.171 8.747 3.086) 9.349 9.985 ( -1.073 9.519 -3.009) 10.040 11.367 ( 0.431 -16.343 0.586) 16.359 11.396 ( -0.392 -15.904 -0.510) 15.917 12.020 ( 0.589 -20.485 1.273) 20.533 12.081 ( -0.450 -22.881 -1.079) 22.911 14.104 ( 1.541 -18.810 2.011) 18.980 14.220 ( -1.757 -7.962 -2.798) 8.620 14.395 ( 4.187 -5.835 4.649) 8.555 14.579 ( -4.161 5.595 -2.680) 7.470 15.897 ( 0.123 15.139 0.476) 15.147 15.927 ( -0.034 14.939 -0.627) 14.952 16.870 ( 0.764 5.907 1.799) 6.222 16.970 ( -0.560 4.510 -1.941) 4.941 19.084 ( -0.250 23.870 0.814) 23.885 19.136 ( 0.472 23.720 -1.157) 23.753 22.318 ( 0.138 -21.162 1.485) 21.215 22.395 ( -0.088 -23.325 -1.437) 23.369 26.236 ( -4.127 29.633 0.659) 29.926 26.260 ( 4.170 29.431 -0.246) 29.726 28.418 ( 2.075 -8.721 2.370) 9.273 28.541 ( -1.626 -9.878 -2.247) 10.260 31.361 ( 2.392 4.866 4.269) 6.901 31.630 ( -2.650 -2.201 -6.103) 7.008 32.598 ( 0.062 -10.507 1.166) 10.571 32.637 ( -0.028 -10.613 -0.458) 10.623 36.257 ( -0.162 4.073 2.176) 4.621 36.463 ( 1.310 0.751 -8.154) 8.293 36.919 ( -1.318 -6.938 12.653) 14.491 37.348 ( 0.088 -13.738 -6.187) 15.067 ======================= Grid point 146 (65/126) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -5.046 -3.964 -2.081) 6.746 1.376 ( -5.707 2.179 0.753) 6.155 1.509 ( -0.085 8.655 4.559) 9.783 1.720 ( -2.124 -3.206 2.369) 4.517 1.824 ( -1.946 6.154 -7.205) 9.673 1.903 ( 0.034 1.149 6.887) 6.982 2.024 ( -2.058 -1.447 -3.559) 4.358 2.143 ( 0.016 7.866 0.551) 7.885 2.237 ( 3.308 5.478 -4.655) 7.913 2.324 ( 4.994 -0.257 0.630) 5.040 2.422 ( 0.446 -3.736 2.517) 4.527 2.531 ( -0.407 -5.277 -3.993) 6.631 2.701 ( 5.748 9.204 9.445) 14.385 2.825 ( 1.630 0.681 -7.582) 7.785 2.903 ( -1.320 1.950 -0.436) 2.395 3.067 ( 1.735 -0.773 -1.138) 2.214 3.155 ( -3.068 4.622 -0.040) 5.548 3.287 ( -0.302 2.298 1.125) 2.576 3.544 ( -3.038 10.820 -1.200) 11.302 3.615 ( 4.029 11.753 2.891) 12.756 4.378 ( -3.177 7.043 -2.688) 8.180 4.475 ( 4.057 5.780 2.453) 7.476 4.987 ( -1.387 -0.806 -0.481) 1.675 5.032 ( 1.319 -0.680 0.816) 1.694 6.910 ( 0.127 25.083 1.779) 25.146 6.928 ( -1.293 24.899 -1.406) 24.972 7.904 ( -2.505 6.987 -1.000) 7.489 7.993 ( 2.190 7.033 1.087) 7.446 9.184 ( -1.870 -8.375 -2.512) 8.941 9.211 ( 1.959 -6.827 1.863) 7.342 9.873 ( 0.060 9.076 2.159) 9.329 9.946 ( 0.340 8.584 -2.410) 8.922 11.376 ( -0.416 -16.019 -0.250) 16.027 11.387 ( 0.392 -16.321 0.290) 16.328 12.041 ( 0.129 -21.462 1.090) 21.490 12.058 ( -0.560 -22.039 -1.107) 22.073 14.133 ( -1.464 -13.375 -0.441) 13.462 14.172 ( 0.239 -17.360 0.121) 17.362 14.481 ( -2.508 2.277 -5.006) 6.044 14.577 ( 9.461 -0.380 6.767) 11.638 15.903 ( 0.046 15.117 0.519) 15.126 15.917 ( -0.238 14.868 -0.701) 14.887 16.891 ( -0.578 5.657 0.761) 5.737 16.954 ( 0.927 4.389 -1.131) 4.626 19.091 ( 0.265 23.851 0.916) 23.870 19.146 ( 1.733 24.254 -1.358) 24.353 22.328 ( -0.561 -21.441 1.548) 21.504 22.380 ( -0.166 -22.837 -1.609) 22.894 26.189 ( -0.643 29.424 -0.839) 29.443 26.426 ( 12.555 28.489 1.707) 31.180 28.461 ( -1.513 -9.730 -1.586) 9.973 28.504 ( 1.661 -9.294 0.934) 9.488 31.419 ( -1.816 2.358 1.234) 3.222 31.553 ( 1.417 0.071 -2.880) 3.210 32.606 ( -0.180 -10.250 1.105) 10.311 32.627 ( -0.623 -10.976 -0.624) 11.012 36.300 ( 2.686 3.716 2.302) 5.130 36.424 ( 1.278 1.881 -6.535) 6.919 36.946 ( -6.461 -8.684 10.670) 15.198 37.290 ( -0.553 -11.809 -5.771) 13.155 ======================= Grid point 147 (66/126) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -6.070 3.860 3.547) 8.021 1.303 ( -0.679 1.370 -3.029) 3.393 1.510 ( -2.134 18.400 7.657) 20.044 1.663 ( -4.556 -5.684 -12.209) 14.217 1.754 ( 0.544 1.496 2.670) 3.109 1.952 ( 0.264 1.824 0.752) 1.991 2.014 ( 2.972 -0.929 1.527) 3.468 2.165 ( 1.134 11.424 -2.772) 11.810 2.230 ( -0.057 6.799 0.699) 6.835 2.377 ( -0.426 4.156 -1.985) 4.625 2.469 ( 1.787 -0.686 0.882) 2.108 2.518 ( 2.271 -4.875 0.568) 5.408 2.720 ( 0.431 0.190 -9.507) 9.518 2.866 ( 1.464 5.537 4.903) 7.540 2.931 ( 1.616 -0.205 2.695) 3.149 3.051 ( -0.826 2.340 0.358) 2.507 3.163 ( 1.989 1.732 -0.654) 2.718 3.279 ( -2.687 1.766 3.777) 4.961 3.465 ( -3.645 9.715 -1.158) 10.441 3.737 ( 5.998 10.931 0.464) 12.477 4.291 ( -2.545 5.500 -2.337) 6.495 4.571 ( 2.910 4.553 2.233) 5.847 4.945 ( -1.936 -1.702 -0.810) 2.702 5.073 ( 2.007 -2.284 0.675) 3.114 6.869 ( -1.744 25.909 -1.476) 26.010 6.946 ( 0.393 24.741 1.638) 24.798 7.851 ( -2.030 6.936 -0.291) 7.233 8.038 ( 1.389 7.886 0.653) 8.034 9.142 ( -0.644 -7.195 -1.358) 7.350 9.258 ( 1.397 -6.303 1.284) 6.582 9.843 ( -1.601 8.716 -2.264) 9.147 9.974 ( 1.178 9.112 2.125) 9.430 11.362 ( -0.404 -16.473 -0.464) 16.484 11.401 ( 0.481 -15.766 0.440) 15.780 12.020 ( -0.931 -20.520 -1.215) 20.577 12.066 ( 0.250 -22.812 0.984) 22.835 14.076 ( -1.496 -16.491 -2.292) 16.716 14.216 ( 1.732 -10.271 3.345) 10.940 14.394 ( -2.275 -4.692 -4.859) 7.127 14.842 ( 11.754 -3.690 4.715) 13.191 15.903 ( -0.235 14.961 -0.027) 14.963 15.913 ( 0.185 14.782 -0.233) 14.785 16.865 ( -1.164 5.874 -1.252) 6.118 16.977 ( 0.858 3.742 0.758) 3.914 19.109 ( 0.604 23.939 1.193) 23.977 19.185 ( 3.775 24.821 -1.974) 25.184 22.319 ( -1.048 -21.034 0.098) 21.061 22.365 ( -0.605 -22.332 -0.178) 22.341 26.198 ( 1.711 29.085 0.517) 29.140 26.761 ( 20.732 23.800 -0.035) 31.563 28.380 ( -3.045 -9.475 -4.113) 10.769 28.565 ( 1.778 -9.578 2.298) 10.009 31.310 ( -4.881 4.926 -5.247) 8.696 31.629 ( 2.636 -3.228 4.889) 6.424 32.602 ( -1.235 -11.144 -0.685) 11.233 32.609 ( -0.411 -9.990 0.727) 10.025 36.375 ( 2.615 3.240 -1.589) 4.457 36.438 ( 5.750 2.565 -0.697) 6.335 36.854 ( -9.108 -6.840 4.927) 12.411 37.224 ( -3.811 -11.254 -1.826) 12.022 ======================= Grid point 148 (67/126) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -7.937 10.239 6.205) 14.364 1.310 ( 5.961 2.187 -7.396) 9.747 1.479 ( -1.958 -0.252 -12.757) 12.909 1.559 ( -0.458 18.166 -0.470) 18.177 1.782 ( -0.760 1.274 6.850) 7.008 1.949 ( -0.213 4.311 0.244) 4.324 2.085 ( 0.860 3.826 3.137) 5.021 2.143 ( 1.346 13.476 -1.340) 13.609 2.216 ( -0.904 2.258 -3.175) 3.999 2.398 ( 3.205 3.641 3.198) 5.810 2.502 ( -0.088 0.491 2.188) 2.244 2.571 ( 1.218 -2.008 1.413) 2.741 2.693 ( 2.993 -4.226 -4.167) 6.647 2.895 ( -0.963 5.899 2.832) 6.614 2.973 ( 1.174 -0.937 0.299) 1.531 3.055 ( 0.587 3.752 -0.333) 3.812 3.188 ( 0.710 0.705 -0.531) 1.132 3.250 ( -3.635 0.649 4.082) 5.504 3.393 ( -3.205 10.276 1.114) 10.821 3.811 ( 3.329 10.244 -5.882) 12.273 4.265 ( -0.042 4.210 2.831) 5.073 4.610 ( 0.428 3.511 -0.933) 3.658 4.914 ( -0.849 -2.380 0.592) 2.596 5.104 ( 1.008 -4.538 -1.254) 4.815 6.838 ( -0.584 26.551 -0.285) 26.559 6.952 ( -0.442 24.809 -0.427) 24.817 7.830 ( -0.754 7.193 1.742) 7.439 8.049 ( 0.020 8.705 -1.214) 8.789 9.139 ( 0.601 -6.587 0.459) 6.630 9.280 ( 0.378 -5.536 -0.302) 5.557 9.813 ( -0.050 8.503 0.123) 8.504 9.995 ( -0.627 9.899 1.106) 9.981 11.357 ( 0.027 -16.702 0.064) 16.702 11.408 ( 0.102 -15.568 -0.223) 15.570 12.003 ( -0.098 -19.910 -0.175) 19.911 12.071 ( -0.215 -23.232 0.191) 23.233 14.055 ( 0.403 -18.407 -0.110) 18.412 14.284 ( 0.610 4.379 1.660) 4.723 14.324 ( -0.076 -19.032 -0.195) 19.034 15.035 ( 6.074 -9.818 -3.883) 12.181 15.901 ( -0.014 14.845 0.056) 14.845 15.915 ( 0.306 14.455 -0.337) 14.462 16.846 ( 0.023 6.085 0.408) 6.099 16.985 ( -0.477 3.393 0.167) 3.430 19.130 ( 0.324 24.028 1.566) 24.081 19.248 ( 4.427 24.330 -3.061) 24.919 22.301 ( -0.391 -20.503 -0.059) 20.507 22.350 ( -1.137 -21.496 0.552) 21.533 26.260 ( 2.405 28.782 4.470) 29.226 27.124 ( 17.581 14.555 -11.340) 25.486 28.312 ( -0.966 -8.411 0.791) 8.503 28.595 ( 0.001 -10.036 0.429) 10.045 31.217 ( -1.303 7.657 1.053) 7.839 31.679 ( -1.410 -6.240 2.666) 6.930 32.573 ( -1.041 -10.616 -0.251) 10.670 32.605 ( -0.408 -9.920 0.034) 9.929 36.400 ( 2.115 3.544 -0.656) 4.179 36.614 ( 11.530 0.349 0.446) 11.543 36.710 ( -7.768 -3.016 1.012) 8.394 37.086 ( -9.871 -9.611 -0.455) 13.785 ======================= Grid point 149 (68/126) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.110 9.308 -0.140) 9.310 1.391 ( 1.556 4.683 -2.463) 5.515 1.544 ( 4.128 0.217 3.684) 5.538 1.759 ( -1.261 10.448 -7.551) 12.952 1.921 ( -4.287 10.643 -1.739) 11.605 2.006 ( 0.257 1.473 0.011) 1.495 2.101 ( -0.398 -1.641 2.965) 3.412 2.271 ( 2.627 5.528 -3.297) 6.952 2.399 ( 0.498 -2.914 2.054) 3.600 2.445 ( 0.275 3.901 2.303) 4.538 2.540 ( -2.544 2.365 2.295) 4.164 2.585 ( -0.138 0.263 -1.298) 1.332 2.728 ( 3.447 3.738 4.554) 6.826 2.980 ( 0.522 1.666 -2.320) 2.904 2.996 ( -2.456 5.738 3.182) 7.006 3.144 ( -1.528 0.020 1.107) 1.887 3.170 ( -0.303 5.461 -1.601) 5.699 3.252 ( 0.823 2.169 -2.400) 3.337 3.502 ( 1.224 -0.349 4.885) 5.048 3.840 ( -1.645 -2.627 -9.094) 9.608 4.415 ( 2.098 4.681 6.375) 8.183 4.647 ( -1.428 3.705 -3.471) 5.274 4.855 ( 0.734 -4.513 2.276) 5.107 4.983 ( -0.840 -4.801 -2.683) 5.563 7.506 ( 0.561 39.046 0.650) 39.055 7.554 ( -0.726 37.678 -1.224) 37.705 8.015 ( 0.634 9.145 3.870) 9.950 8.208 ( -0.692 9.692 -3.585) 10.357 9.040 ( 0.616 -5.600 2.577) 6.195 9.167 ( -0.484 -4.378 -2.324) 4.981 10.027 ( 1.942 9.447 3.083) 10.126 10.155 ( -1.855 9.180 -1.829) 9.543 11.036 ( 0.470 -16.353 0.912) 16.385 11.090 ( -0.552 -15.569 -1.150) 15.621 11.455 ( 0.355 -36.127 0.394) 36.131 11.472 ( -0.302 -36.684 -0.251) 36.686 13.855 ( 2.089 -5.074 2.896) 6.205 14.027 ( -3.184 -4.864 -4.361) 7.267 14.375 ( 4.266 -5.461 7.410) 10.145 14.742 ( -3.436 -13.253 -7.327) 15.528 16.192 ( 0.131 14.492 0.178) 14.494 16.202 ( -0.087 14.621 -0.217) 14.623 16.916 ( 0.702 -0.797 1.463) 1.808 16.979 ( -0.568 -2.096 -1.005) 2.392 19.666 ( -0.518 28.621 1.392) 28.659 19.763 ( 0.645 25.725 -2.352) 25.840 21.862 ( -0.065 -24.578 0.608) 24.585 21.880 ( 0.151 -25.196 -0.109) 25.197 26.858 ( 0.669 23.105 7.585) 24.328 27.362 ( -1.874 11.435 -12.729) 17.214 28.169 ( 2.784 -12.145 4.870) 13.378 28.341 ( -1.562 -12.608 -2.532) 12.954 31.431 ( 2.330 8.387 4.425) 9.764 31.594 ( -2.082 2.783 -2.043) 4.032 32.351 ( 0.453 -11.762 0.488) 11.780 32.380 ( -0.399 -11.730 -0.615) 11.753 36.513 ( 2.014 2.853 1.662) 3.867 36.591 ( -3.036 0.344 -1.067) 3.236 36.759 ( -4.109 -3.055 0.157) 5.122 36.794 ( 4.918 -4.581 -0.864) 6.777 ======================= Grid point 150 (69/126) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.334 12.192 -0.577) 12.211 1.423 ( 2.747 1.541 -0.102) 3.151 1.523 ( -5.184 10.882 -6.904) 13.891 1.742 ( 3.322 2.563 0.350) 4.211 1.836 ( -2.730 7.189 0.121) 7.691 1.994 ( -1.748 -0.945 -1.151) 2.296 2.083 ( -3.437 1.275 4.106) 5.504 2.290 ( 0.959 4.645 -2.999) 5.611 2.410 ( 0.183 2.005 0.739) 2.144 2.474 ( -0.403 -3.570 1.264) 3.808 2.494 ( -2.202 2.133 1.967) 3.643 2.566 ( -2.386 -1.472 0.416) 2.834 2.800 ( 0.263 1.682 3.153) 3.583 2.907 ( -3.431 6.359 -6.331) 9.607 3.024 ( 0.435 3.971 4.924) 6.341 3.112 ( -1.241 3.214 0.657) 3.507 3.143 ( 0.469 4.790 -0.911) 4.898 3.316 ( 4.696 1.229 -0.078) 4.855 3.594 ( 2.900 0.666 6.118) 6.803 3.713 ( -3.091 -3.004 -8.647) 9.662 4.501 ( 0.522 5.097 3.560) 6.239 4.590 ( -0.103 4.164 -2.538) 4.878 4.911 ( 2.449 -3.773 3.001) 5.408 4.950 ( 0.100 -4.142 -3.260) 5.272 7.524 ( -0.401 38.370 -0.663) 38.378 7.534 ( 0.803 38.237 0.412) 38.248 8.068 ( 0.901 9.028 4.670) 10.204 8.152 ( -1.386 9.244 -4.392) 10.328 9.070 ( -0.074 -5.876 2.961) 6.580 9.122 ( -1.690 -4.521 -2.874) 5.617 10.065 ( -1.862 9.724 -0.705) 9.925 10.131 ( 2.117 8.455 1.549) 8.852 11.059 ( 0.770 -15.980 1.328) 16.054 11.066 ( -0.726 -15.913 -1.406) 15.991 11.462 ( -0.328 -36.250 -0.464) 36.255 11.468 ( 0.538 -36.669 0.506) 36.676 13.924 ( -2.502 -4.858 -3.346) 6.407 13.939 ( 2.369 -5.008 3.491) 6.548 14.524 ( 3.418 -6.976 8.400) 11.442 14.569 ( -6.259 -9.605 -9.377) 14.811 16.194 ( -0.108 14.624 -0.079) 14.624 16.202 ( 0.324 14.584 0.028) 14.587 16.931 ( -0.544 -0.967 0.171) 1.123 16.974 ( 0.998 -2.217 0.010) 2.432 19.658 ( -1.442 28.773 1.345) 28.840 19.737 ( -1.196 26.566 -2.069) 26.674 21.859 ( -0.369 -24.388 0.140) 24.391 21.892 ( 0.817 -25.906 0.117) 25.919 26.919 ( -2.230 22.487 9.717) 24.597 27.154 ( -7.441 17.065 -11.863) 22.075 28.251 ( 0.138 -12.664 1.495) 12.753 28.286 ( 0.088 -12.899 -1.156) 12.951 31.487 ( -1.180 6.475 0.128) 6.582 31.581 ( 3.149 3.201 1.362) 4.692 32.367 ( -0.188 -11.670 -0.860) 11.703 32.372 ( 1.117 -11.827 0.672) 11.898 36.520 ( -3.275 1.513 -2.450) 4.361 36.575 ( 1.886 1.644 3.639) 4.416 36.622 ( -5.466 -0.159 -0.381) 5.482 36.945 ( 7.592 -8.200 -0.790) 11.203 ======================= Grid point 151 (70/126) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.164 8.127 -2.048) 8.382 1.395 ( -0.520 9.742 -4.303) 10.663 1.472 ( 1.274 -0.676 -0.249) 1.464 1.794 ( 0.076 -1.020 3.993) 4.122 1.810 ( 0.104 4.435 -1.985) 4.860 1.901 ( -5.325 1.461 -2.052) 5.891 2.090 ( 0.164 -1.299 5.446) 5.601 2.236 ( -3.204 0.314 -3.882) 5.043 2.422 ( -4.338 -3.143 0.934) 5.438 2.449 ( 1.343 6.502 3.305) 7.417 2.484 ( -2.287 -0.477 0.143) 2.340 2.513 ( -1.022 0.431 -1.273) 1.688 2.743 ( -6.805 8.912 -6.536) 12.979 2.832 ( 0.565 0.815 2.806) 2.976 3.039 ( -0.566 2.120 -1.391) 2.598 3.143 ( 1.278 4.404 5.681) 7.301 3.184 ( 3.747 5.640 -1.006) 6.846 3.386 ( 1.969 0.919 0.213) 2.183 3.606 ( -1.768 -1.987 -4.721) 5.419 3.694 ( 2.355 1.176 4.641) 5.336 4.460 ( -1.759 5.379 -3.762) 6.795 4.638 ( 2.191 5.592 3.216) 6.812 4.935 ( 0.703 -3.322 -2.333) 4.120 4.983 ( 2.384 -1.962 2.209) 3.796 7.504 ( -0.437 38.773 -0.737) 38.782 7.567 ( 1.382 37.024 0.912) 37.061 8.089 ( -1.243 8.695 -2.976) 9.274 8.120 ( 0.382 8.284 3.195) 8.887 9.058 ( -1.600 -5.018 -2.292) 5.744 9.092 ( -0.710 -6.582 2.092) 6.942 10.010 ( -1.603 10.035 -1.701) 10.304 10.190 ( 1.377 8.343 1.798) 8.645 11.043 ( -0.469 -16.272 -0.963) 16.307 11.084 ( 0.613 -15.456 1.055) 15.504 11.453 ( -0.151 -35.968 -0.346) 35.970 11.481 ( 0.451 -37.172 0.273) 37.176 13.847 ( -1.607 -5.342 -2.877) 6.277 14.033 ( 2.744 -4.997 4.445) 7.229 14.375 ( -5.508 -6.226 -7.492) 11.191 14.629 ( 0.505 -7.590 6.071) 9.733 16.189 ( -0.156 14.573 -0.180) 14.575 16.212 ( 0.578 14.862 0.095) 14.874 16.913 ( -0.518 -0.518 -0.746) 1.045 16.999 ( 0.805 -2.407 0.608) 2.610 19.638 ( -1.507 29.144 1.054) 29.202 19.695 ( -1.405 27.713 -1.409) 27.784 21.856 ( -0.010 -24.109 0.104) 24.109 21.904 ( 0.322 -26.844 -0.162) 26.847 26.922 ( -5.112 23.394 7.755) 25.170 26.931 ( -6.455 22.357 -7.356) 24.405 28.203 ( -1.018 -11.537 -3.268) 12.034 28.329 ( 0.749 -13.810 2.457) 14.047 31.454 ( -0.296 8.610 -1.833) 8.808 31.657 ( 1.922 1.072 1.956) 2.944 32.361 ( 0.170 -11.671 -0.469) 11.682 32.398 ( 1.032 -11.886 0.375) 11.937 36.425 ( -4.429 3.303 -0.720) 5.572 36.549 ( -0.774 1.018 -3.436) 3.666 36.654 ( 1.763 -0.964 5.818) 6.155 37.055 ( 4.709 -11.078 -1.474) 12.127 ======================= Grid point 152 (71/126) ======================= q-point: ( 0.38 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 3.197 2.347 -2.742) 4.821 1.414 ( 1.792 -0.053 -2.469) 3.051 1.486 ( 2.169 -2.061 1.920) 3.555 1.780 ( -3.367 2.930 1.093) 4.595 1.809 ( -1.970 5.927 5.751) 8.490 1.838 ( 1.667 -4.950 -2.634) 5.850 2.091 ( -2.754 -4.113 -3.237) 5.914 2.199 ( -0.841 -4.669 4.958) 6.863 2.354 ( -0.696 1.513 -0.682) 1.799 2.404 ( -4.004 -1.826 -0.797) 4.472 2.473 ( -3.601 7.801 -0.307) 8.597 2.487 ( -1.142 2.931 -1.819) 3.634 2.617 ( -0.287 11.313 -0.152) 11.317 2.860 ( 0.523 2.322 0.758) 2.498 3.012 ( -0.897 1.234 -0.315) 1.558 3.203 ( 0.461 5.717 0.752) 5.785 3.246 ( 3.670 5.011 -0.934) 6.281 3.386 ( -1.365 0.709 -0.911) 1.787 3.570 ( 0.174 -0.845 -0.143) 0.875 3.747 ( 0.335 0.118 1.252) 1.302 4.428 ( 0.827 7.065 -0.609) 7.139 4.681 ( 0.076 6.772 0.561) 6.796 4.939 ( 1.079 -2.799 -0.404) 3.027 5.028 ( 0.907 -0.471 0.605) 1.187 7.499 ( 0.110 38.661 0.333) 38.663 7.592 ( 0.703 36.367 -0.139) 36.374 8.056 ( 0.040 8.013 -1.434) 8.141 8.136 ( -0.920 7.587 1.460) 7.781 9.022 ( -0.311 -5.396 -1.166) 5.530 9.088 ( -1.117 -7.566 0.839) 7.694 9.988 ( -0.075 10.202 0.441) 10.211 10.203 ( -0.406 8.775 -0.829) 8.824 11.035 ( 0.061 -16.354 -0.111) 16.354 11.095 ( -0.015 -15.258 0.108) 15.258 11.452 ( 0.121 -35.996 0.102) 35.996 11.488 ( 0.173 -37.436 -0.110) 37.436 13.824 ( 0.428 -5.754 -0.022) 5.770 14.091 ( 0.045 -5.413 0.060) 5.413 14.268 ( -0.768 -4.464 -0.432) 4.550 14.640 ( -2.354 -6.777 1.189) 7.272 16.188 ( 0.027 14.650 0.117) 14.651 16.222 ( 0.374 14.909 -0.235) 14.916 16.907 ( 0.167 -0.295 0.193) 0.390 17.008 ( -0.053 -2.148 -0.305) 2.170 19.623 ( -0.908 29.416 0.823) 29.442 19.665 ( -0.594 28.342 -0.957) 28.364 21.860 ( 0.126 -24.309 0.371) 24.312 21.903 ( -0.010 -27.136 -0.475) 27.140 26.801 ( -2.078 25.110 -3.380) 25.421 26.865 ( -5.610 25.184 3.889) 26.093 28.183 ( 0.763 -11.567 -0.705) 11.614 28.341 ( -0.659 -13.584 0.386) 13.606 31.455 ( 1.034 9.186 0.183) 9.246 31.676 ( -0.347 1.549 -0.811) 1.783 32.366 ( 0.374 -11.718 0.312) 11.729 32.414 ( 0.453 -11.884 -0.090) 11.893 36.357 ( -2.500 4.288 0.716) 5.015 36.513 ( 0.600 0.903 -5.285) 5.395 36.735 ( 0.737 -3.242 7.633) 8.326 37.101 ( 2.079 -12.227 -2.864) 12.729 ======================= Grid point 153 (72/126) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 2.906 -1.322 -1.809) 3.669 1.363 ( -1.310 -3.017 -4.549) 5.614 1.582 ( 0.731 -2.455 4.207) 4.926 1.742 ( -0.683 0.594 1.505) 1.756 1.837 ( -0.287 5.930 7.457) 9.532 1.887 ( 4.049 -7.838 -0.815) 8.859 2.041 ( -1.604 -2.616 -1.839) 3.577 2.162 ( -1.507 -3.846 1.454) 4.379 2.310 ( -1.677 3.696 -2.209) 4.621 2.360 ( -2.443 4.927 -0.814) 5.559 2.413 ( -0.730 4.349 -3.868) 5.866 2.486 ( 2.480 2.275 0.038) 3.366 2.679 ( 3.777 9.420 6.225) 11.906 2.880 ( 1.514 3.358 -0.233) 3.691 3.004 ( -0.567 1.393 0.384) 1.552 3.144 ( -3.508 4.923 -5.206) 7.978 3.293 ( 0.388 4.934 0.014) 4.949 3.345 ( -0.870 1.686 -1.587) 2.473 3.607 ( 2.042 -0.985 3.106) 3.845 3.728 ( -1.803 -0.513 -1.804) 2.601 4.481 ( 2.922 7.519 3.545) 8.811 4.644 ( -2.591 7.696 -2.908) 8.625 4.968 ( 1.131 -2.104 1.422) 2.780 5.026 ( -0.896 -0.413 -0.876) 1.319 7.513 ( 0.545 38.204 1.406) 38.233 7.587 ( -0.636 36.558 -1.364) 36.589 8.070 ( 1.232 7.754 0.757) 7.888 8.112 ( -1.381 7.202 -0.825) 7.379 9.032 ( 1.527 -5.712 0.433) 5.928 9.063 ( -1.446 -7.595 -0.758) 7.768 10.013 ( 1.138 10.023 2.695) 10.441 10.168 ( -1.249 9.054 -3.213) 9.688 11.044 ( 0.588 -16.249 0.729) 16.276 11.085 ( -0.640 -15.443 -0.832) 15.478 11.459 ( 0.236 -36.282 0.544) 36.287 11.485 ( -0.190 -37.338 -0.474) 37.342 13.860 ( 1.947 -5.790 2.901) 6.763 14.033 ( -2.915 -5.304 -4.331) 7.442 14.340 ( 4.410 -4.900 5.933) 8.870 14.571 ( -3.389 -5.508 -3.514) 7.360 16.192 ( 0.156 14.726 0.477) 14.734 16.221 ( -0.126 14.815 -0.604) 14.828 16.922 ( 0.587 -0.498 1.349) 1.553 16.994 ( -0.520 -1.784 -1.374) 2.311 19.617 ( -0.317 29.471 0.715) 29.482 19.657 ( 0.467 28.512 -0.778) 28.526 21.865 ( -0.036 -24.805 0.610) 24.812 21.899 ( 0.059 -26.861 -0.674) 26.870 26.788 ( -3.005 26.295 0.356) 26.468 26.802 ( 2.942 25.539 -0.177) 25.708 28.216 ( 1.856 -11.883 1.901) 12.177 28.313 ( -1.606 -13.308 -1.772) 13.521 31.489 ( 1.134 8.195 2.481) 8.637 31.640 ( -1.319 3.276 -3.291) 4.827 32.378 ( 0.279 -11.720 0.896) 11.757 32.414 ( -0.204 -11.936 -0.521) 11.949 36.341 ( -0.095 4.403 1.498) 4.652 36.483 ( 1.020 1.294 -5.600) 5.838 36.798 ( -1.642 -5.204 8.638) 10.217 37.095 ( 0.698 -11.815 -4.367) 12.616 ======================= Grid point 154 (73/126) ======================= q-point: (-0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.581 -0.284 -2.996) 3.065 1.367 ( 1.047 0.447 -0.056) 1.140 1.592 ( -0.216 -4.395 -0.053) 4.401 1.770 ( 0.540 6.987 4.206) 8.173 1.845 ( -2.462 -4.228 -7.193) 8.699 1.916 ( 0.789 -1.419 3.249) 3.632 2.019 ( -1.044 2.524 6.039) 6.628 2.248 ( 5.784 -4.001 -0.134) 7.034 2.292 ( 0.427 5.856 -2.423) 6.352 2.345 ( 4.640 3.348 -0.090) 5.722 2.391 ( -0.015 4.415 0.976) 4.521 2.493 ( -0.169 2.153 -3.050) 3.737 2.834 ( 4.107 4.096 3.392) 6.719 2.900 ( 2.551 4.881 -4.390) 7.043 2.951 ( -4.204 4.079 2.643) 6.426 3.086 ( 0.878 1.836 -0.710) 2.156 3.245 ( -3.434 4.681 -0.321) 5.815 3.344 ( 0.395 3.017 -0.779) 3.141 3.643 ( -2.758 -0.749 -1.424) 3.192 3.705 ( 3.092 -1.802 2.480) 4.354 4.525 ( -3.604 7.691 -2.160) 8.763 4.596 ( 2.327 6.431 2.100) 7.155 4.967 ( -2.503 -1.637 -0.898) 3.122 5.012 ( 0.515 -1.783 1.095) 2.155 7.538 ( 0.423 37.578 1.675) 37.618 7.554 ( -1.105 37.319 -1.479) 37.365 8.047 ( -2.264 7.645 -1.236) 8.068 8.140 ( 2.914 7.943 1.260) 8.554 9.027 ( -1.120 -6.799 -1.380) 7.027 9.080 ( 2.610 -5.675 1.052) 6.334 10.060 ( 0.287 9.807 2.085) 10.030 10.118 ( -0.128 8.952 -2.469) 9.287 11.061 ( -0.826 -15.969 -1.060) 16.026 11.067 ( 0.809 -15.833 1.055) 15.888 11.468 ( 0.163 -36.643 0.676) 36.649 11.474 ( -0.474 -36.896 -0.683) 36.906 13.930 ( -0.987 -5.122 -0.756) 5.271 13.942 ( 0.442 -5.446 0.784) 5.520 14.463 ( -3.364 -4.829 -6.053) 8.442 14.506 ( 6.744 -7.042 6.816) 11.897 16.199 ( 0.037 14.797 0.546) 14.807 16.209 ( -0.376 14.688 -0.661) 14.708 16.938 ( -0.475 -0.683 0.597) 1.024 16.977 ( 0.330 -1.783 -0.709) 1.947 19.623 ( 0.235 29.352 0.739) 29.363 19.670 ( 1.617 28.356 -0.872) 28.415 21.868 ( -0.237 -25.188 0.658) 25.198 21.894 ( 0.046 -26.296 -0.762) 26.307 26.741 ( -0.965 26.440 -0.976) 26.475 26.933 ( 9.353 23.267 1.489) 25.120 28.241 ( -2.050 -12.646 -1.878) 12.948 28.289 ( 1.897 -12.538 1.557) 12.776 31.512 ( -1.621 7.056 0.888) 7.294 31.597 ( 0.374 4.517 -1.502) 4.775 32.389 ( -0.029 -11.717 0.907) 11.752 32.399 ( -0.749 -12.059 -0.700) 12.103 36.377 ( 2.424 3.998 1.606) 4.943 36.463 ( 1.418 2.040 -4.634) 5.258 36.805 ( -4.638 -5.703 7.275) 10.342 37.065 ( -0.098 -10.763 -4.046) 11.499 ======================= Grid point 155 (74/126) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.384 2.129 -2.857) 4.287 1.383 ( -0.697 6.264 1.785) 6.550 1.524 ( -3.066 -5.505 -6.619) 9.139 1.797 ( 2.917 1.938 -1.093) 3.669 1.855 ( 4.244 10.332 1.406) 11.258 1.949 ( 0.680 -2.317 1.190) 2.692 2.018 ( -2.087 3.180 3.130) 4.926 2.298 ( 2.516 2.172 -0.628) 3.382 2.357 ( 2.405 4.738 2.309) 5.793 2.370 ( -1.074 -4.038 -3.122) 5.216 2.463 ( 5.269 4.906 0.973) 7.265 2.511 ( 2.922 4.075 3.330) 6.019 2.758 ( -2.804 4.026 -9.241) 10.462 2.940 ( 0.266 1.265 1.523) 1.998 2.997 ( 1.810 5.198 4.198) 6.923 3.100 ( 0.331 3.411 -0.442) 3.455 3.209 ( -0.530 3.082 1.949) 3.685 3.327 ( -1.740 2.893 -0.014) 3.375 3.559 ( -3.828 -0.620 -1.575) 4.186 3.814 ( 5.288 -3.054 1.719) 6.344 4.415 ( -3.997 7.048 -3.035) 8.652 4.663 ( 1.482 4.744 2.378) 5.510 4.900 ( -3.075 -3.169 -0.922) 4.511 5.027 ( -0.101 -2.643 0.791) 2.761 7.517 ( -0.966 38.385 -1.055) 38.411 7.564 ( 0.325 36.984 1.240) 37.006 8.001 ( -1.543 8.304 -0.385) 8.455 8.202 ( 2.354 8.756 0.603) 9.087 9.005 ( -0.164 -5.994 -0.657) 6.032 9.138 ( 2.460 -5.261 0.447) 5.825 10.025 ( -1.665 9.681 -2.412) 10.115 10.152 ( 1.522 9.037 2.509) 9.502 11.038 ( -0.618 -16.258 -0.720) 16.285 11.091 ( 0.680 -15.551 0.812) 15.587 11.459 ( -0.454 -36.352 -0.571) 36.360 11.475 ( 0.022 -36.868 0.497) 36.871 13.851 ( -1.926 -5.155 -3.045) 6.289 14.027 ( 2.613 -4.964 4.592) 7.250 14.348 ( -3.047 -4.515 -5.856) 7.998 14.689 ( 6.471 -10.847 4.467) 13.397 16.195 ( -0.319 14.569 -0.338) 14.576 16.205 ( -0.034 14.837 0.249) 14.839 16.917 ( -0.940 -0.463 -0.871) 1.362 16.991 ( 0.392 -2.143 0.729) 2.298 19.638 ( 0.586 29.144 0.892) 29.163 19.704 ( 2.787 27.555 -1.249) 27.724 21.865 ( -0.412 -24.917 0.245) 24.922 21.888 ( -0.138 -25.894 -0.304) 25.896 26.739 ( 1.067 25.678 0.293) 25.702 27.164 ( 13.044 18.003 0.193) 22.233 28.168 ( -2.684 -12.094 -2.711) 12.682 28.344 ( 1.590 -12.662 1.805) 12.888 31.448 ( -3.107 8.887 -2.141) 9.654 31.623 ( 0.671 2.772 2.263) 3.641 32.373 ( -1.082 -12.110 -0.714) 12.179 32.395 ( -0.266 -11.697 0.628) 11.717 36.443 ( 2.521 3.600 -1.228) 4.563 36.482 ( 4.572 1.937 -0.435) 4.985 36.748 ( -5.687 -4.013 3.999) 8.028 37.017 ( -2.632 -9.706 -2.149) 10.284 ======================= Grid point 156 (75/126) ======================= q-point: (-0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.268 3.629 -2.996) 4.714 1.374 ( 1.650 6.207 -0.960) 6.493 1.466 ( 0.889 1.009 -0.755) 1.542 1.822 ( 0.296 4.705 -4.450) 6.483 1.944 ( 3.356 12.813 0.311) 13.249 1.973 ( 1.966 0.693 0.383) 2.119 2.055 ( 1.754 -2.092 4.141) 4.960 2.281 ( -0.052 3.413 -4.924) 5.991 2.369 ( 0.662 -3.104 2.452) 4.011 2.420 ( 0.587 7.722 3.016) 8.311 2.531 ( 1.025 3.050 1.436) 3.523 2.600 ( 1.681 4.885 2.241) 5.631 2.655 ( 0.019 2.226 -3.535) 4.177 2.960 ( 0.491 1.222 1.876) 2.292 3.024 ( -0.696 4.405 0.605) 4.501 3.112 ( 2.194 2.452 -1.035) 3.449 3.209 ( -1.970 2.389 0.812) 3.201 3.291 ( -1.876 2.833 -0.024) 3.398 3.489 ( -2.572 -0.737 1.128) 2.903 3.892 ( 2.810 -2.622 -4.331) 5.790 4.358 ( -0.810 5.352 2.237) 5.857 4.682 ( -0.271 3.795 -0.596) 3.851 4.851 ( -1.602 -4.138 0.665) 4.487 5.017 ( -0.891 -4.166 -0.910) 4.356 7.500 ( -0.190 39.107 -0.195) 39.108 7.570 ( -0.252 37.009 -0.095) 37.010 7.988 ( -0.372 8.871 1.820) 9.064 8.229 ( 0.789 9.505 -1.517) 9.658 9.011 ( 0.645 -5.631 1.021) 5.759 9.173 ( 1.272 -4.681 -0.927) 4.939 9.994 ( -0.109 9.816 0.056) 9.817 10.182 ( -0.235 9.074 0.794) 9.112 11.028 ( -0.075 -16.466 0.099) 16.466 11.101 ( 0.067 -15.374 -0.176) 15.375 11.450 ( -0.073 -36.001 -0.090) 36.001 11.476 ( -0.145 -36.905 0.133) 36.905 13.820 ( 0.177 -5.173 -0.149) 5.178 14.088 ( 0.053 -5.090 0.326) 5.100 14.283 ( 0.341 -4.319 0.324) 4.344 14.793 ( 2.258 -13.929 -1.337) 14.174 16.190 ( -0.035 14.438 -0.068) 14.438 16.205 ( -0.094 14.807 0.013) 14.807 16.902 ( -0.117 -0.313 0.150) 0.367 16.994 ( -0.377 -2.292 0.039) 2.323 19.656 ( 0.362 28.831 1.147) 28.856 19.747 ( 2.686 26.252 -1.879) 26.456 21.859 ( -0.214 -24.330 0.148) 24.331 21.884 ( -0.301 -25.653 0.114) 25.655 26.784 ( 1.786 24.440 3.632) 24.773 27.374 ( 9.294 11.737 -6.216) 16.210 28.118 ( -0.821 -11.264 0.872) 11.327 28.368 ( 0.011 -12.787 -0.144) 12.788 31.395 ( -1.063 10.388 0.656) 10.463 31.634 ( -1.155 1.587 0.877) 2.150 32.351 ( -0.604 -11.902 -0.185) 11.918 32.391 ( -0.412 -11.728 0.001) 11.735 36.470 ( 1.918 3.525 -0.572) 4.054 36.611 ( 7.463 -0.564 0.597) 7.508 36.669 ( -4.104 -1.231 1.017) 4.403 36.919 ( -6.224 -7.486 -1.026) 9.789 ======================= Grid point 157 (76/126) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.149 5.095 2.475) 6.058 1.508 ( 2.089 -0.225 4.300) 4.786 1.557 ( -0.886 7.761 -1.070) 7.884 1.792 ( 0.260 -3.766 -6.657) 7.653 1.948 ( -1.355 -2.589 4.727) 5.557 2.037 ( 0.052 -5.300 4.910) 7.225 2.195 ( -2.604 9.599 -5.277) 11.259 2.315 ( 3.306 0.157 -4.961) 5.964 2.473 ( 2.555 8.429 0.204) 8.810 2.516 ( -1.684 3.897 0.665) 4.296 2.575 ( -2.657 1.505 -0.088) 3.055 2.621 ( -0.274 2.384 -3.439) 4.194 2.836 ( 0.424 6.793 3.985) 7.887 3.014 ( 1.441 1.116 -1.225) 2.196 3.085 ( -1.607 3.109 5.169) 6.243 3.185 ( 0.279 4.243 -0.704) 4.310 3.244 ( 1.179 1.033 -1.407) 2.106 3.290 ( -1.325 1.421 -2.748) 3.365 3.434 ( 1.675 -4.176 4.844) 6.611 3.688 ( -2.498 -11.579 -5.945) 13.253 4.514 ( 2.249 5.531 5.142) 7.880 4.722 ( -1.209 3.819 -3.092) 5.061 4.753 ( 0.721 -5.617 2.539) 6.206 4.894 ( -1.055 -4.443 -2.727) 5.319 8.187 ( -0.401 13.852 2.369) 14.058 8.237 ( 1.213 21.310 2.429) 21.482 8.281 ( -0.014 29.917 -1.298) 29.945 8.397 ( -0.931 9.775 -3.241) 10.340 9.048 ( 0.308 13.189 2.351) 13.401 9.172 ( -0.213 9.998 -2.406) 10.286 10.211 ( 1.469 7.804 2.337) 8.278 10.317 ( -1.440 4.845 -1.724) 5.341 10.645 ( 0.078 -41.898 0.243) 41.899 10.670 ( -0.090 -39.117 -0.770) 39.125 10.739 ( 0.704 -16.376 1.583) 16.468 10.807 ( -0.815 -14.017 -1.155) 14.088 13.858 ( 2.063 4.381 2.837) 5.612 14.025 ( -3.078 2.978 -4.343) 6.100 14.234 ( 3.653 -7.255 5.692) 9.919 14.478 ( -2.514 -13.231 -4.392) 14.165 16.462 ( 0.268 12.872 0.322) 12.879 16.479 ( -0.257 13.364 -0.333) 13.371 16.848 ( 0.478 -5.971 0.878) 6.055 16.890 ( -0.464 -6.832 -0.745) 6.888 20.240 ( -0.329 29.488 0.564) 29.495 20.280 ( 0.370 26.893 -0.959) 26.913 21.353 ( -0.061 -27.030 0.308) 27.031 21.363 ( 0.094 -27.244 -0.102) 27.244 27.265 ( 0.611 18.630 5.086) 19.322 27.577 ( -1.588 10.411 -7.524) 12.943 27.919 ( 2.036 -12.915 4.320) 13.770 28.087 ( -1.089 -13.012 -2.740) 13.342 31.629 ( 0.934 11.375 1.877) 11.567 31.707 ( -0.942 8.273 -1.136) 8.403 32.112 ( 0.472 -12.457 0.560) 12.478 32.141 ( -0.396 -12.383 -0.556) 12.402 36.564 ( 1.253 2.355 0.843) 2.798 36.600 ( -1.820 0.451 -0.391) 1.915 36.706 ( -2.545 -2.222 -0.081) 3.379 36.718 ( 3.081 -3.015 -0.440) 4.333 ======================= Grid point 158 (77/126) ======================= q-point: ( 0.12 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.568 4.138 3.828) 5.666 1.504 ( -1.864 8.290 -3.753) 9.289 1.561 ( -1.570 -1.702 2.981) 3.775 1.734 ( 0.018 -4.004 -6.782) 7.876 1.945 ( -2.363 -0.795 4.115) 4.811 2.036 ( -6.160 4.542 2.548) 8.067 2.095 ( -1.401 1.758 -0.227) 2.259 2.293 ( -1.923 -2.221 -4.543) 5.410 2.466 ( -3.009 3.516 -2.528) 5.274 2.515 ( 0.966 4.739 1.672) 5.117 2.546 ( 0.749 4.314 1.073) 4.508 2.581 ( -2.243 2.441 -1.713) 3.732 2.851 ( -1.268 3.438 2.267) 4.310 2.982 ( -3.247 0.930 -3.571) 4.916 3.102 ( -0.117 4.561 2.623) 5.263 3.198 ( 0.998 5.155 1.816) 5.556 3.242 ( 0.799 4.375 -0.649) 4.494 3.322 ( 4.604 -1.262 -0.835) 4.847 3.531 ( 2.821 -5.868 5.273) 8.378 3.577 ( -2.404 -8.837 -5.482) 10.674 4.604 ( 1.139 5.438 2.447) 6.071 4.673 ( 0.889 4.438 -2.018) 4.956 4.824 ( 3.148 -5.112 3.173) 6.791 4.861 ( 0.735 -4.811 -3.159) 5.802 8.200 ( -0.313 17.954 2.321) 18.106 8.263 ( -0.418 29.311 -1.342) 29.345 8.284 ( 0.537 16.052 3.332) 16.403 8.337 ( -1.704 10.706 -3.982) 11.549 9.070 ( -0.377 12.437 2.642) 12.720 9.132 ( -1.487 11.043 -2.771) 11.482 10.247 ( -1.151 7.122 -0.488) 7.230 10.290 ( 1.470 5.693 0.945) 5.955 10.647 ( -0.109 -41.437 0.134) 41.438 10.664 ( 0.180 -40.409 -0.422) 40.412 10.766 ( -0.142 -15.522 0.573) 15.533 10.781 ( 0.021 -14.617 -0.210) 14.618 13.926 ( -2.725 4.009 -3.680) 6.086 13.938 ( 2.396 3.763 3.697) 5.794 14.351 ( 2.427 -9.627 4.976) 11.105 14.362 ( -3.753 -10.603 -5.348) 12.454 16.468 ( -0.157 13.075 -0.207) 13.077 16.477 ( 0.491 13.211 0.208) 13.222 16.860 ( -0.252 -6.105 0.021) 6.110 16.884 ( 0.694 -6.822 0.048) 6.857 20.233 ( -0.873 29.435 0.522) 29.453 20.271 ( -0.510 27.649 -0.828) 27.666 21.354 ( -0.076 -26.813 0.284) 26.814 21.364 ( 0.014 -27.792 -0.167) 27.792 27.316 ( -0.645 18.187 6.587) 19.354 27.454 ( -4.089 13.777 -7.232) 16.088 27.989 ( 1.040 -13.831 3.603) 14.331 28.029 ( -1.572 -13.142 -3.517) 13.695 31.657 ( -0.141 10.461 0.180) 10.464 31.701 ( 1.676 8.482 0.384) 8.654 32.130 ( -0.116 -12.374 -0.845) 12.404 32.134 ( 1.088 -12.288 0.748) 12.359 36.549 ( -2.661 1.411 -0.964) 3.162 36.590 ( -0.708 -0.353 1.391) 1.600 36.638 ( -1.530 2.270 0.119) 2.740 36.804 ( 4.278 -6.170 -0.581) 7.530 ======================= Grid point 159 (78/126) ======================= q-point: ( 0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.109 7.057 -4.021) 8.697 1.482 ( -2.404 2.023 3.624) 4.796 1.504 ( -2.765 1.660 -4.097) 5.214 1.698 ( -0.142 -6.571 -2.214) 6.935 1.928 ( -3.670 -0.751 2.971) 4.781 1.944 ( -3.431 6.081 1.958) 7.252 2.062 ( -3.972 -0.517 1.947) 4.453 2.187 ( -4.805 -2.736 -1.575) 5.750 2.384 ( -2.569 2.532 -2.588) 4.439 2.509 ( -3.287 2.691 -0.332) 4.261 2.546 ( 0.654 1.876 0.974) 2.212 2.588 ( 1.142 3.602 -0.054) 3.779 2.858 ( -3.899 2.734 -2.637) 5.443 2.863 ( 0.267 1.731 1.402) 2.243 3.107 ( -0.645 5.490 -0.639) 5.565 3.230 ( 0.774 4.594 3.512) 5.835 3.306 ( 4.094 5.290 0.578) 6.714 3.386 ( 2.182 -1.002 -0.590) 2.473 3.493 ( -1.057 -7.419 -3.034) 8.085 3.638 ( 2.540 -5.831 3.416) 7.219 4.577 ( -0.335 6.562 -3.263) 7.336 4.743 ( 3.224 4.836 2.423) 6.297 4.846 ( 1.185 -5.322 -2.154) 5.863 4.931 ( 3.788 -3.469 2.292) 5.624 8.209 ( -0.319 21.201 0.920) 21.223 8.246 ( -0.754 23.678 -0.140) 23.691 8.264 ( -1.045 10.702 -3.164) 11.208 8.321 ( -0.597 15.280 2.699) 15.528 9.066 ( -1.449 12.337 -0.452) 12.430 9.089 ( -1.098 12.671 0.247) 12.721 10.205 ( -1.177 8.348 -1.504) 8.563 10.340 ( 1.446 4.641 1.597) 5.116 10.645 ( -0.111 -42.452 -0.065) 42.452 10.668 ( 0.246 -40.482 -0.045) 40.482 10.742 ( -0.773 -15.637 -0.975) 15.687 10.805 ( 0.674 -13.889 1.264) 13.963 13.846 ( -1.904 4.235 -2.862) 5.455 14.025 ( 2.469 2.492 4.290) 5.542 14.224 ( -4.151 -7.514 -5.663) 10.284 14.437 ( 1.116 -11.011 3.963) 11.755 16.462 ( -0.122 12.970 -0.305) 12.974 16.492 ( 0.649 13.406 0.281) 13.425 16.849 ( -0.278 -5.895 -0.564) 5.929 16.905 ( 0.788 -6.994 0.565) 7.061 20.219 ( -0.892 29.652 0.466) 29.669 20.252 ( -0.731 28.727 -0.601) 28.742 21.354 ( -0.118 -26.995 0.200) 26.996 21.361 ( -0.093 -28.114 -0.226) 28.115 27.325 ( -3.502 18.011 -4.958) 19.006 27.340 ( -2.400 19.354 5.578) 20.284 27.956 ( -1.324 -13.406 -3.277) 13.864 28.040 ( 0.260 -15.511 2.576) 15.726 31.649 ( 0.251 11.129 -0.815) 11.162 31.746 ( 1.588 7.423 0.975) 7.654 32.125 ( 0.248 -12.316 -0.577) 12.332 32.160 ( 1.025 -12.184 0.453) 12.235 36.485 ( -3.052 2.792 -0.311) 4.148 36.560 ( -1.443 -0.430 -1.065) 1.844 36.657 ( 0.962 1.891 2.450) 3.241 36.865 ( 2.731 -8.275 -1.055) 8.778 ======================= Grid point 160 (79/126) ======================= q-point: ( 0.38 0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.061 4.644 -2.637) 5.445 1.417 ( -3.182 0.765 -2.847) 4.337 1.477 ( 0.347 0.916 2.451) 2.639 1.671 ( -0.893 -8.150 -1.203) 8.287 1.827 ( -7.408 -1.063 -0.037) 7.484 1.909 ( -1.119 -4.273 -1.275) 4.598 2.036 ( -0.163 5.063 4.216) 6.591 2.124 ( -3.222 -0.183 3.158) 4.515 2.341 ( -0.730 0.471 -0.608) 1.061 2.459 ( -1.113 4.217 -0.080) 4.362 2.538 ( -2.566 1.168 0.149) 2.823 2.571 ( -0.820 1.330 0.286) 1.588 2.819 ( 1.584 7.809 -0.960) 8.026 2.907 ( 1.771 1.690 0.723) 2.552 3.069 ( -2.176 5.544 -0.352) 5.967 3.284 ( 1.204 3.356 1.803) 3.995 3.340 ( -0.720 -0.310 -2.121) 2.261 3.411 ( 1.593 5.204 -0.789) 5.499 3.477 ( 0.773 -7.281 -0.031) 7.322 3.680 ( 0.413 -5.735 -0.161) 5.752 4.574 ( 1.621 7.733 -0.038) 7.901 4.806 ( 1.683 5.500 0.435) 5.768 4.857 ( 1.102 -5.056 -0.486) 5.197 4.997 ( 1.658 -2.833 0.341) 3.300 8.208 ( 0.028 24.433 0.178) 24.434 8.219 ( -0.195 9.299 -1.296) 9.391 8.254 ( 0.132 19.146 -0.228) 19.147 8.312 ( -2.081 14.400 1.383) 14.615 9.037 ( -0.495 13.618 -0.759) 13.648 9.075 ( -1.134 13.123 0.665) 13.189 10.188 ( 0.033 8.883 0.250) 8.886 10.359 ( -0.014 4.748 -0.596) 4.785 10.644 ( 0.021 -43.098 0.063) 43.098 10.670 ( 0.054 -41.377 -0.209) 41.378 10.730 ( -0.023 -15.301 0.046) 15.301 10.817 ( -0.107 -13.390 0.029) 13.391 13.816 ( 0.115 4.029 0.052) 4.031 14.092 ( -0.176 4.636 0.066) 4.640 14.128 ( -0.444 -8.965 -0.095) 8.977 14.455 ( -1.071 -11.003 0.372) 11.061 16.460 ( 0.098 12.947 0.085) 12.947 16.502 ( 0.295 13.429 -0.207) 13.434 16.846 ( 0.172 -5.767 0.171) 5.773 16.917 ( 0.142 -6.944 -0.136) 6.947 20.209 ( -0.507 29.861 0.422) 29.869 20.236 ( -0.402 29.477 -0.441) 29.483 21.351 ( -0.189 -28.000 0.025) 28.001 21.359 ( -0.002 -27.469 -0.093) 27.469 27.249 ( -0.916 20.674 -2.288) 20.821 27.319 ( -3.342 21.257 2.643) 21.680 27.928 ( 0.442 -14.350 -0.987) 14.391 28.048 ( -0.855 -16.209 0.777) 16.250 31.657 ( 0.752 11.266 0.162) 11.292 31.767 ( 0.311 7.355 -0.404) 7.373 32.130 ( 0.472 -12.247 0.151) 12.257 32.177 ( 0.456 -12.126 -0.051) 12.135 36.437 ( -1.811 3.814 0.455) 4.247 36.528 ( -0.410 0.059 -2.353) 2.390 36.697 ( 0.346 -0.075 3.730) 3.747 36.892 ( 1.339 -9.069 -1.795) 9.342 ======================= Grid point 161 (80/126) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 1.157 2.623 -1.034) 3.048 1.347 ( -0.027 1.212 -3.140) 3.366 1.516 ( -0.554 -2.525 3.947) 4.718 1.668 ( 2.080 -7.801 -1.390) 8.192 1.743 ( 0.429 -3.753 0.137) 3.780 1.859 ( -1.798 -7.060 -4.657) 8.647 2.086 ( -0.660 5.967 6.165) 8.605 2.100 ( -0.977 -0.651 3.124) 3.337 2.342 ( 1.807 4.245 1.973) 5.018 2.471 ( -0.447 5.762 1.523) 5.976 2.535 ( 1.903 1.319 1.651) 2.844 2.551 ( -0.657 3.977 -2.185) 4.585 2.846 ( 1.289 7.506 0.427) 7.628 2.936 ( 1.534 2.219 -0.543) 2.751 3.053 ( 0.304 3.791 1.611) 4.130 3.206 ( -5.217 0.907 -5.462) 7.607 3.350 ( 0.406 -0.631 0.562) 0.938 3.408 ( 0.074 5.781 -2.335) 6.235 3.515 ( 1.239 -6.460 2.788) 7.144 3.658 ( -1.177 -5.286 -2.793) 6.093 4.630 ( 2.210 7.519 3.432) 8.556 4.789 ( -2.112 6.754 -2.793) 7.608 4.895 ( 1.615 -5.039 2.174) 5.721 4.995 ( -1.284 -2.953 -1.692) 3.637 8.210 ( 0.478 19.309 0.229) 19.317 8.236 ( 0.333 13.927 0.799) 13.953 8.250 ( 0.739 13.710 -0.862) 13.757 8.273 ( -1.747 18.892 -0.333) 18.975 9.039 ( 0.519 13.328 0.378) 13.343 9.058 ( -0.399 14.086 -0.357) 14.096 10.209 ( 0.971 8.563 2.076) 8.864 10.333 ( -1.093 5.771 -2.645) 6.442 10.646 ( 0.080 -43.056 0.270) 43.057 10.667 ( -0.049 -42.222 -0.503) 42.225 10.742 ( 0.660 -15.046 1.166) 15.106 10.802 ( -0.797 -13.601 -1.179) 13.675 13.850 ( 1.903 3.761 2.964) 5.153 14.018 ( -2.755 2.164 -4.177) 5.452 14.208 ( 3.476 -6.897 5.199) 9.310 14.408 ( -2.389 -10.046 -3.158) 10.799 16.466 ( 0.236 13.017 0.529) 13.030 16.499 ( -0.242 13.275 -0.709) 13.297 16.857 ( 0.450 -5.882 1.012) 5.986 16.908 ( -0.443 -6.712 -0.938) 6.792 20.207 ( -0.114 30.082 0.442) 30.085 20.230 ( 0.177 29.520 -0.431) 29.524 21.350 ( -0.003 -27.806 0.111) 27.806 21.358 ( 0.015 -27.763 -0.165) 27.763 27.256 ( 2.457 21.160 0.177) 21.303 27.267 ( -2.673 22.206 -0.234) 22.368 27.954 ( 1.845 -14.687 1.403) 14.869 28.022 ( -1.579 -16.255 -1.160) 16.373 31.677 ( 0.532 10.718 1.276) 10.806 31.753 ( -0.654 8.028 -1.669) 8.226 32.143 ( 0.356 -12.156 0.764) 12.186 32.176 ( -0.276 -12.139 -0.531) 12.154 36.425 ( -0.023 4.000 0.938) 4.108 36.506 ( 0.451 0.647 -2.809) 2.918 36.726 ( -1.013 -1.588 4.418) 4.802 36.891 ( 0.588 -8.865 -2.511) 9.232 ======================= Grid point 162 (81/126) ======================= q-point: (-0.38 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.160 2.761 -2.230) 3.734 1.408 ( 4.870 1.994 -1.507) 5.474 1.516 ( -1.274 -1.167 1.953) 2.608 1.717 ( 2.650 -6.179 -3.202) 7.447 1.793 ( 3.053 -3.800 -0.458) 4.896 1.822 ( 3.344 -6.355 0.223) 7.184 2.096 ( -1.389 2.682 3.793) 4.849 2.165 ( 3.867 -2.725 3.033) 5.620 2.438 ( -0.789 7.663 -0.660) 7.731 2.461 ( 3.936 7.878 3.127) 9.345 2.513 ( -0.298 4.639 -1.634) 4.927 2.573 ( 1.335 5.502 -1.131) 5.773 2.891 ( 1.361 2.187 0.738) 2.680 2.958 ( 0.871 1.603 -0.033) 1.825 3.050 ( -2.227 4.153 -2.753) 5.458 3.130 ( 2.344 2.934 2.604) 4.570 3.314 ( -3.020 1.419 -1.330) 3.592 3.403 ( 0.149 3.043 -0.805) 3.151 3.542 ( -1.503 -7.896 0.562) 8.058 3.615 ( 0.010 -5.639 -0.575) 5.668 4.670 ( -3.160 7.003 -0.501) 7.699 4.725 ( 0.244 6.648 0.718) 6.691 4.909 ( -3.164 -4.369 -0.982) 5.483 4.953 ( -0.200 -4.210 1.006) 4.333 8.199 ( -2.217 9.432 -0.589) 9.707 8.228 ( 0.614 21.551 0.198) 21.561 8.247 ( 0.288 24.484 -1.003) 24.507 8.312 ( 3.242 11.808 1.430) 12.328 9.030 ( -0.654 14.314 -0.546) 14.340 9.085 ( 2.377 12.503 0.454) 12.735 10.247 ( 0.206 7.751 1.568) 7.910 10.288 ( -0.347 6.557 -1.914) 6.840 10.649 ( -0.080 -43.041 0.198) 43.042 10.663 ( 0.216 -41.964 -0.338) 41.966 10.762 ( -0.420 -14.587 -0.005) 14.593 10.779 ( 0.299 -14.281 0.075) 14.284 13.924 ( 0.126 3.554 0.467) 3.586 13.933 ( -0.093 3.367 -0.396) 3.391 14.320 ( -2.480 -8.665 -4.561) 10.101 14.332 ( 4.103 -9.575 4.883) 11.505 16.475 ( 0.037 13.117 0.565) 13.129 16.484 ( -0.391 13.142 -0.685) 13.166 16.871 ( -0.333 -5.979 0.494) 6.009 16.893 ( -0.024 -6.655 -0.462) 6.671 20.212 ( 0.231 30.186 0.469) 30.191 20.236 ( 0.836 29.023 -0.488) 29.039 21.350 ( -0.081 -27.341 0.017) 27.341 21.359 ( 0.234 -28.064 -0.085) 28.065 27.218 ( -1.384 22.218 -1.154) 22.291 27.346 ( 5.820 19.095 1.498) 20.018 27.966 ( -1.998 -15.371 -1.989) 15.627 28.019 ( 2.434 -14.799 1.791) 15.105 31.686 ( -1.025 10.379 0.600) 10.447 31.727 ( -0.263 8.498 -0.833) 8.543 32.154 ( -0.010 -12.093 0.855) 12.123 32.159 ( -0.878 -12.298 -0.764) 12.353 36.452 ( 1.867 3.410 1.081) 4.035 36.500 ( 1.203 1.443 -2.533) 3.154 36.727 ( -2.497 -1.871 3.816) 4.929 36.876 ( -0.014 -8.304 -2.327) 8.624 ======================= Grid point 163 (82/126) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.294 3.357 -1.635) 4.382 1.427 ( -0.332 -1.371 -3.252) 3.545 1.546 ( 2.612 6.587 1.138) 7.176 1.746 ( 4.551 -4.294 -3.009) 6.943 1.866 ( 2.255 -4.147 1.662) 5.004 1.937 ( 5.677 -3.601 3.631) 7.640 2.100 ( 0.455 4.849 0.810) 4.937 2.261 ( 3.597 -4.312 -0.157) 5.618 2.392 ( 0.875 7.605 -4.663) 8.963 2.481 ( 0.612 4.453 -0.256) 4.502 2.566 ( 1.952 4.570 0.301) 4.978 2.639 ( 3.397 6.336 4.200) 8.326 2.854 ( -1.695 6.108 -4.898) 8.011 2.970 ( 0.654 1.408 -0.518) 1.636 3.041 ( 0.385 1.437 2.006) 2.498 3.205 ( -0.027 6.223 1.729) 6.459 3.264 ( 0.150 1.143 1.651) 2.014 3.383 ( -1.832 2.926 -0.587) 3.501 3.466 ( -3.861 -7.568 -2.182) 8.772 3.667 ( 3.066 -10.021 2.657) 10.811 4.558 ( -4.770 7.311 -2.895) 9.197 4.758 ( 0.006 4.917 2.111) 5.351 4.817 ( -3.896 -5.129 -1.330) 6.577 4.960 ( -0.933 -4.306 1.377) 4.616 8.166 ( -0.868 10.481 0.323) 10.522 8.221 ( -0.334 22.587 -0.873) 22.607 8.266 ( 1.273 26.966 0.034) 26.996 8.382 ( 2.665 10.254 0.837) 10.627 9.019 ( -0.088 14.696 -0.183) 14.697 9.137 ( 2.606 10.859 -0.026) 11.167 10.213 ( -1.472 8.151 -1.976) 8.515 10.317 ( 1.204 5.387 2.071) 5.895 10.646 ( -0.167 -42.942 -0.127) 42.942 10.670 ( 0.439 -41.145 0.061) 41.147 10.736 ( -0.898 -14.724 -0.959) 14.783 10.805 ( 0.811 -13.942 1.201) 14.017 13.852 ( -1.703 4.264 -3.067) 5.521 14.020 ( 2.850 2.637 4.460) 5.913 14.221 ( -2.791 -6.834 -5.243) 9.055 14.453 ( 3.723 -12.349 3.581) 13.385 16.466 ( -0.430 12.870 -0.483) 12.886 16.485 ( 0.001 13.412 0.457) 13.420 16.853 ( -0.773 -5.822 -0.669) 5.911 16.900 ( 0.151 -6.875 0.671) 6.909 20.223 ( 0.496 30.028 0.539) 30.037 20.252 ( 1.303 28.171 -0.674) 28.210 21.349 ( -0.013 -27.428 0.098) 27.428 21.362 ( 0.138 -27.545 -0.124) 27.545 27.200 ( 0.029 21.318 -0.077) 21.318 27.488 ( 7.296 15.340 0.850) 17.008 27.907 ( -2.034 -14.518 -2.054) 14.803 28.078 ( 2.013 -14.220 1.199) 14.411 31.649 ( -1.888 11.362 -0.957) 11.558 31.731 ( -0.104 7.904 1.110) 7.982 32.131 ( -1.109 -12.398 -0.720) 12.468 32.158 ( -0.315 -12.243 0.604) 12.262 36.508 ( 2.014 2.689 -0.940) 3.489 36.515 ( 3.235 1.423 0.161) 3.538 36.698 ( -2.906 -0.828 2.214) 3.746 36.847 ( -1.515 -7.436 -1.416) 7.720 ======================= Grid point 164 (83/126) ======================= q-point: (-0.12 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.489 3.758 -0.807) 4.122 1.436 ( 2.170 0.934 1.420) 2.757 1.574 ( -0.090 7.581 -0.158) 7.583 1.809 ( 3.755 -4.618 -4.797) 7.644 1.913 ( 0.671 -3.126 3.952) 5.083 2.008 ( -0.904 -3.907 4.160) 5.778 2.182 ( 6.458 7.462 -1.519) 9.985 2.292 ( 2.412 -0.545 -3.890) 4.609 2.413 ( 3.745 7.501 -1.927) 8.602 2.517 ( 1.003 3.450 1.679) 3.966 2.593 ( 0.671 2.528 -0.136) 2.619 2.676 ( -0.998 1.371 -2.878) 3.340 2.804 ( -0.735 10.922 1.471) 11.045 2.985 ( 1.513 0.988 -0.340) 1.839 3.065 ( -0.208 1.129 3.481) 3.666 3.184 ( -0.366 3.777 -0.991) 3.922 3.287 ( -1.980 5.031 -0.582) 5.438 3.329 ( -1.280 0.752 -0.770) 1.672 3.405 ( -1.831 -5.836 1.786) 6.372 3.730 ( 1.670 -12.368 -1.232) 12.541 4.479 ( -1.822 6.808 0.993) 7.117 4.739 ( -1.496 -3.178 0.033) 3.513 4.772 ( -1.439 1.359 0.191) 1.988 4.937 ( -1.659 -4.220 -0.662) 4.583 8.171 ( 0.117 9.577 1.920) 9.769 8.213 ( 0.029 25.107 0.258) 25.108 8.283 ( 0.717 28.914 -0.716) 28.931 8.416 ( 0.909 9.653 -1.141) 9.762 9.026 ( 0.396 14.184 1.094) 14.232 9.174 ( 1.572 9.952 -1.218) 10.149 10.187 ( -0.162 8.510 0.045) 8.512 10.340 ( -0.139 4.223 0.415) 4.246 10.643 ( -0.028 -42.527 0.007) 42.527 10.675 ( 0.153 -39.916 -0.430) 39.918 10.723 ( -0.067 -15.403 0.422) 15.409 10.820 ( 0.028 -13.652 0.077) 13.653 13.823 ( 0.235 4.494 -0.184) 4.504 14.098 ( 0.291 5.240 0.440) 5.266 14.144 ( 0.125 -8.969 -0.251) 8.973 14.515 ( 0.890 -13.912 -0.360) 13.945 16.459 ( -0.074 12.779 -0.075) 12.779 16.485 ( -0.192 13.488 0.076) 13.490 16.840 ( -0.167 -5.742 0.032) 5.745 16.902 ( -0.322 -6.971 0.038) 6.978 20.236 ( 0.260 29.779 0.568) 29.786 20.272 ( 1.250 27.150 -0.875) 27.193 21.351 ( -0.009 -27.284 0.249) 27.285 21.363 ( 0.065 -27.163 -0.132) 27.163 27.218 ( 0.826 19.954 2.383) 20.113 27.603 ( 4.460 11.828 -3.473) 13.109 27.872 ( -0.419 -13.812 1.204) 13.870 28.107 ( 0.563 -13.567 -0.678) 13.595 31.617 ( -0.794 12.122 0.263) 12.150 31.729 ( -0.804 7.653 0.306) 7.701 32.110 ( -0.533 -12.520 -0.128) 12.532 32.152 ( -0.479 -12.335 0.029) 12.344 36.533 ( 1.692 2.768 -0.464) 3.277 36.596 ( 3.623 -0.910 0.633) 3.789 36.663 ( -1.280 0.706 0.523) 1.553 36.791 ( -3.439 -5.540 -0.728) 6.561 ======================= Grid point 165 (84/126) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 1.199 -2.301 3.871) 4.660 1.481 ( 1.199 2.301 3.871) 4.660 1.699 ( 0.330 -5.585 -4.176) 6.981 1.699 ( 0.330 5.585 -4.176) 6.981 1.938 ( -1.292 -2.961 5.758) 6.603 1.938 ( -1.292 2.961 5.758) 6.603 2.302 ( 0.988 -2.143 -4.744) 5.298 2.302 ( 0.988 2.143 -4.744) 5.298 2.570 ( -0.984 -0.904 0.066) 1.338 2.570 ( -0.984 0.904 0.066) 1.338 2.617 ( 0.211 -3.220 -2.038) 3.817 2.617 ( 0.211 3.220 -2.038) 3.817 2.980 ( 0.339 -5.559 -0.402) 5.584 2.980 ( 0.339 5.559 -0.402) 5.584 3.164 ( 1.112 -5.565 4.054) 6.974 3.164 ( 1.112 5.565 4.054) 6.974 3.283 ( -0.747 -2.816 -2.698) 3.971 3.283 ( -0.747 2.816 -2.698) 3.971 3.466 ( -0.997 -8.367 -0.356) 8.434 3.466 ( -0.997 8.367 -0.356) 8.434 4.631 ( 1.664 -6.263 3.710) 7.467 4.631 ( 1.664 6.263 3.710) 7.467 4.807 ( -1.413 -4.413 -3.050) 5.547 4.807 ( -1.413 4.413 -3.050) 5.547 8.356 ( 0.178 -5.196 2.574) 5.801 8.356 ( 0.178 5.196 2.574) 5.801 8.525 ( -0.187 -2.287 -2.315) 3.260 8.525 ( -0.187 2.287 -2.315) 3.260 9.690 ( 0.036 -43.377 0.765) 43.383 9.690 ( 0.036 43.377 0.765) 43.383 9.739 ( -0.035 -41.285 -0.932) 41.296 9.739 ( -0.035 41.285 -0.932) 41.296 10.475 ( 1.014 -11.416 1.750) 11.594 10.475 ( 1.014 11.416 1.750) 11.594 10.567 ( -1.088 -10.398 -1.566) 10.571 10.567 ( -1.088 10.398 -1.566) 10.571 13.986 ( 1.196 -7.324 1.685) 7.610 13.986 ( 1.196 7.324 1.685) 7.610 14.248 ( -1.083 -9.099 -1.647) 9.310 14.248 ( -1.083 9.099 -1.647) 9.310 16.689 ( 0.434 -9.805 0.516) 9.828 16.689 ( 0.434 9.805 0.516) 9.828 16.718 ( -0.439 -10.425 -0.488) 10.445 16.718 ( -0.439 10.425 -0.488) 10.445 20.797 ( -0.143 -3.264 -0.678) 3.337 20.797 ( -0.143 3.264 -0.678) 3.337 20.832 ( 0.162 -2.702 0.619) 2.777 20.832 ( 0.162 2.702 0.619) 2.777 27.590 ( 0.189 -13.745 2.159) 13.915 27.590 ( 0.189 13.745 2.159) 13.915 27.847 ( -0.207 -10.232 -2.372) 10.506 27.847 ( -0.207 10.232 -2.372) 10.506 31.862 ( 0.193 -10.667 0.472) 10.679 31.862 ( 0.193 10.667 0.472) 10.679 31.908 ( -0.178 -9.606 -0.279) 9.611 31.908 ( -0.178 9.606 -0.279) 9.611 36.599 ( -0.078 -0.918 0.143) 0.933 36.599 ( -0.078 0.918 0.143) 0.933 36.683 ( 0.078 -0.310 -0.169) 0.361 36.683 ( 0.078 0.310 -0.169) 0.361 ======================= Grid point 167 (85/126) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -1.120 -1.882 4.175) 4.715 1.520 ( -1.120 1.882 4.175) 4.715 1.645 ( -1.418 -5.098 -5.684) 7.766 1.645 ( -1.418 5.098 -5.684) 7.766 1.964 ( -1.854 -4.158 6.454) 7.899 1.964 ( -1.854 4.158 6.454) 7.899 2.224 ( -4.247 -5.222 -4.601) 8.153 2.224 ( -4.247 5.222 -4.601) 8.153 2.533 ( -1.694 -1.823 -0.121) 2.492 2.533 ( -1.694 1.823 -0.121) 2.492 2.614 ( 0.331 -0.699 -1.718) 1.884 2.614 ( 0.331 0.699 -1.718) 1.884 2.940 ( -3.717 -4.653 -1.052) 6.047 2.940 ( -3.717 4.653 -1.052) 6.047 3.229 ( 2.603 -7.551 0.533) 8.005 3.229 ( 2.603 7.551 0.533) 8.005 3.279 ( 1.192 -1.569 1.140) 2.277 3.279 ( 1.192 1.569 1.140) 2.277 3.458 ( 0.932 -1.603 0.277) 1.875 3.458 ( 0.932 1.603 0.277) 1.875 4.715 ( 2.188 -5.789 2.439) 6.652 4.715 ( 2.188 5.789 2.439) 6.652 4.765 ( 1.273 -4.881 -2.260) 5.527 4.765 ( 1.273 4.881 -2.260) 5.527 8.377 ( -0.353 -4.129 2.487) 4.833 8.377 ( -0.353 4.129 2.487) 4.833 8.488 ( -1.469 -1.741 -2.295) 3.234 8.488 ( -1.469 1.741 -2.295) 3.234 9.696 ( -0.178 -36.108 0.773) 36.117 9.696 ( -0.178 36.108 0.773) 36.117 9.728 ( -0.184 -35.263 -0.885) 35.275 9.728 ( -0.184 35.263 -0.885) 35.275 10.506 ( -0.348 -10.369 0.110) 10.375 10.506 ( -0.348 10.369 0.110) 10.375 10.537 ( 0.385 -9.664 0.130) 9.673 10.537 ( 0.385 9.664 0.130) 9.673 14.008 ( -0.322 -0.533 -0.146) 0.639 14.008 ( -0.322 0.533 -0.146) 0.639 14.220 ( -0.361 -0.262 0.025) 0.446 14.220 ( -0.361 0.262 0.025) 0.446 16.698 ( -0.168 -10.196 -0.119) 10.198 16.698 ( -0.168 10.196 -0.119) 10.198 16.712 ( 0.564 -10.552 0.149) 10.568 16.712 ( 0.564 10.552 0.149) 10.568 20.788 ( -0.279 -6.489 -0.294) 6.502 20.788 ( -0.279 6.489 -0.294) 6.502 20.834 ( -0.275 -5.373 0.237) 5.386 20.834 ( -0.275 5.373 0.237) 5.386 27.611 ( 0.041 -7.291 1.755) 7.499 27.611 ( 0.041 7.291 1.755) 7.499 27.806 ( -1.961 -4.802 -1.890) 5.520 27.806 ( -1.961 4.802 -1.890) 5.520 31.871 ( 0.357 -4.722 0.139) 4.737 31.871 ( 0.357 4.722 0.139) 4.737 31.912 ( 0.825 -3.710 -0.015) 3.801 31.912 ( 0.825 3.710 -0.015) 3.801 36.574 ( -2.124 -1.130 0.093) 2.408 36.574 ( -2.124 1.130 0.093) 2.408 36.703 ( 1.593 -4.203 -0.112) 4.496 36.703 ( 1.593 4.203 -0.112) 4.496 ======================= Grid point 169 (86/126) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -3.108 -1.607 -0.459) 3.529 1.496 ( -3.108 1.607 -0.459) 3.529 1.572 ( -2.177 -5.996 -1.878) 6.649 1.572 ( -2.177 5.996 -1.878) 6.649 1.934 ( -6.392 -3.076 3.345) 7.843 1.934 ( -6.392 3.076 3.345) 7.843 2.125 ( -2.163 -4.360 -0.529) 4.896 2.125 ( -2.163 4.360 -0.529) 4.896 2.505 ( -1.524 -5.766 -1.457) 6.140 2.505 ( -1.524 5.766 -1.457) 6.140 2.577 ( -2.295 -2.485 -1.351) 3.643 2.577 ( -2.295 2.485 -1.351) 3.643 2.881 ( -0.634 -0.156 -0.009) 0.653 2.881 ( -0.634 0.156 -0.009) 0.653 3.258 ( 0.215 -8.789 0.069) 8.792 3.258 ( 0.215 8.789 0.069) 8.792 3.319 ( 1.383 -3.994 1.301) 4.423 3.319 ( 1.383 3.994 1.301) 4.423 3.505 ( 2.867 -6.768 0.580) 7.373 3.505 ( 2.867 6.768 0.580) 7.373 4.711 ( 0.638 -6.725 -2.645) 7.254 4.711 ( 0.638 6.725 -2.645) 7.254 4.850 ( 4.059 -4.492 2.376) 6.504 4.850 ( 4.059 4.492 2.376) 6.504 8.378 ( -0.878 -0.396 0.336) 1.020 8.378 ( -0.878 0.396 0.336) 1.020 8.443 ( -1.808 -0.879 -0.271) 2.029 8.443 ( -1.808 0.879 -0.271) 2.029 9.694 ( -0.388 -41.410 0.155) 41.412 9.694 ( -0.388 41.410 0.155) 41.412 9.721 ( -0.051 -41.552 -0.190) 41.552 9.721 ( -0.051 41.552 -0.190) 41.552 10.476 ( -0.918 -11.772 -1.302) 11.879 10.476 ( -0.918 11.772 -1.302) 11.879 10.571 ( 1.002 -10.134 1.472) 10.289 10.571 ( 1.002 10.134 1.472) 10.289 13.974 ( -1.489 -7.553 -1.823) 7.911 13.974 ( -1.489 7.553 -1.823) 7.911 14.234 ( 0.404 -8.401 1.625) 8.567 14.234 ( 0.404 8.401 1.625) 8.567 16.690 ( -0.161 -9.992 -0.533) 10.008 16.690 ( -0.162 9.992 -0.533) 10.008 16.730 ( 0.713 -10.601 0.547) 10.639 16.730 ( 0.713 10.601 0.547) 10.639 20.783 ( -0.118 -12.602 0.127) 12.603 20.783 ( -0.118 12.602 0.127) 12.603 20.826 ( -0.600 -11.885 -0.171) 11.901 20.826 ( -0.600 11.885 -0.171) 11.901 27.618 ( -0.049 -4.982 0.095) 4.983 27.618 ( -0.049 4.982 0.095) 4.983 27.752 ( -2.542 -6.709 -0.098) 7.176 27.752 ( -2.542 6.709 -0.098) 7.176 31.879 ( 0.538 -11.208 -0.181) 11.223 31.879 ( 0.538 11.208 -0.181) 11.223 31.933 ( 1.021 -9.841 0.192) 9.895 31.933 ( 1.021 9.841 0.192) 9.895 36.533 ( -2.032 -2.059 0.061) 2.893 36.533 ( -2.032 2.059 0.061) 2.893 36.731 ( 1.293 -5.397 -0.067) 5.550 36.731 ( 1.293 5.397 -0.067) 5.550 ======================= Grid point 171 (87/126) ======================= q-point: ( 0.38 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.630 -1.976 -2.621) 4.206 1.418 ( -2.630 1.976 -2.621) 4.206 1.533 ( -2.070 -5.182 1.580) 5.799 1.533 ( -2.070 5.182 1.580) 5.799 1.815 ( -5.225 -1.872 -1.442) 5.735 1.815 ( -5.225 1.872 -1.442) 5.735 2.119 ( -0.936 -2.424 2.951) 3.932 2.119 ( -0.936 2.424 2.951) 3.932 2.441 ( -1.977 -7.048 -0.111) 7.321 2.441 ( -1.977 7.048 -0.111) 7.321 2.557 ( -0.275 -1.846 0.898) 2.071 2.557 ( -0.275 1.846 0.898) 2.071 2.906 ( 2.312 -1.836 0.149) 2.956 2.906 ( 2.312 1.836 0.149) 2.956 3.231 ( -2.818 -9.170 -0.810) 9.628 3.231 ( -2.818 9.170 -0.810) 9.628 3.353 ( 1.328 -4.203 0.693) 4.462 3.353 ( 1.328 4.203 0.693) 4.462 3.550 ( 1.701 -7.243 -1.247) 7.544 3.550 ( 1.701 7.243 -1.247) 7.544 4.723 ( 1.776 -7.266 0.088) 7.481 4.723 ( 1.776 7.266 0.088) 7.481 4.919 ( 1.756 -4.902 0.042) 5.207 4.919 ( 1.756 4.902 0.042) 5.207 8.360 ( -0.296 -3.951 -0.765) 4.035 8.360 ( -0.296 3.951 -0.765) 4.035 8.413 ( -1.688 -4.215 0.735) 4.600 8.413 ( -1.688 4.215 0.735) 4.600 9.687 ( -0.235 -42.590 -0.118) 42.591 9.687 ( -0.235 42.590 -0.118) 42.591 9.720 ( -0.031 -42.564 0.114) 42.565 9.720 ( -0.031 42.564 0.114) 42.565 10.461 ( 0.018 -11.983 0.017) 11.983 10.461 ( 0.018 11.983 0.017) 11.983 10.586 ( -0.072 -10.122 -0.201) 10.124 10.586 ( -0.072 10.122 -0.201) 10.124 13.948 ( -0.165 -8.658 0.067) 8.660 13.948 ( -0.165 8.658 0.067) 8.660 14.242 ( -0.501 -9.945 0.067) 9.958 14.242 ( -0.501 9.945 0.067) 9.958 16.686 ( 0.110 -9.294 -0.213) 9.297 16.686 ( 0.110 9.294 -0.213) 9.297 16.743 ( 0.262 -9.983 0.188) 9.989 16.743 ( 0.262 9.983 0.188) 9.989 20.785 ( 0.060 -25.012 0.279) 25.014 20.785 ( 0.060 25.012 0.279) 25.014 20.812 ( -0.507 -24.658 -0.301) 24.665 20.812 ( -0.507 24.658 -0.301) 24.665 27.617 ( 0.449 -16.342 -0.781) 16.367 27.617 ( 0.449 16.342 -0.781) 16.367 27.710 ( -2.217 -17.643 0.845) 17.802 27.710 ( -2.217 17.643 0.845) 17.802 31.889 ( 0.515 -12.056 -0.069) 12.068 31.889 ( 0.515 12.056 -0.069) 12.068 31.949 ( 0.528 -10.648 0.028) 10.662 31.949 ( 0.528 10.648 0.028) 10.662 36.502 ( -1.184 -2.571 0.048) 2.831 36.502 ( -1.184 2.571 0.048) 2.831 36.749 ( 0.670 -5.253 -0.048) 5.296 36.749 ( 0.670 5.253 -0.048) 5.296 ======================= Grid point 173 (88/126) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.301 -0.664 -2.053) 2.178 1.376 ( 0.301 0.664 -2.053) 2.178 1.527 ( 0.301 -4.768 2.535) 5.408 1.527 ( 0.301 4.768 2.535) 5.408 1.738 ( -0.602 -3.500 -3.284) 4.837 1.738 ( -0.602 3.500 -3.284) 4.837 2.115 ( -1.261 -1.273 2.142) 2.793 2.115 ( -1.261 1.273 2.142) 2.793 2.485 ( 3.690 -6.756 5.067) 9.216 2.485 ( 3.690 6.756 5.067) 9.216 2.556 ( -0.622 -2.448 0.435) 2.563 2.556 ( -0.622 2.448 0.435) 2.563 2.944 ( 0.943 -2.043 0.120) 2.253 2.944 ( 0.943 2.043 0.120) 2.253 3.156 ( -1.968 -5.613 -3.549) 6.926 3.156 ( -1.968 5.613 -3.549) 6.927 3.374 ( -0.462 -4.109 1.559) 4.419 3.374 ( -0.462 4.109 1.559) 4.419 3.547 ( -0.114 -5.885 -2.665) 6.461 3.547 ( -0.114 5.885 -2.665) 6.461 4.772 ( 1.600 -6.795 2.841) 7.537 4.772 ( 1.600 6.795 2.841) 7.537 4.912 ( -1.427 -5.232 -2.330) 5.902 4.912 ( -1.427 5.232 -2.330) 5.902 8.357 ( -0.237 -2.913 -0.103) 2.924 8.357 ( -0.238 2.913 -0.103) 2.925 8.395 ( 0.197 -3.205 0.040) 3.211 8.395 ( 0.197 3.205 0.040) 3.211 9.683 ( -0.068 -28.973 -0.118) 28.973 9.683 ( -0.068 28.973 -0.118) 28.973 9.722 ( 0.085 -29.095 0.118) 29.095 9.722 ( 0.085 29.095 0.118) 29.095 10.475 ( 0.786 -11.629 1.326) 11.731 10.475 ( 0.786 11.629 1.326) 11.731 10.567 ( -0.918 -10.228 -1.734) 10.415 10.567 ( -0.918 10.228 -1.734) 10.415 13.969 ( 1.178 -7.117 1.885) 7.456 13.969 ( 1.178 7.117 1.885) 7.456 14.218 ( -1.033 -7.952 -1.501) 8.158 14.218 ( -1.033 7.952 -1.501) 8.158 16.689 ( 0.228 -7.269 0.024) 7.272 16.689 ( 0.228 7.269 0.024) 7.272 16.743 ( -0.241 -7.714 -0.072) 7.719 16.743 ( -0.241 7.714 -0.072) 7.718 20.785 ( -0.175 -21.652 0.035) 21.653 20.785 ( -0.175 21.652 0.035) 21.653 20.807 ( 0.197 -21.336 -0.046) 21.337 20.807 ( 0.197 21.336 -0.046) 21.337 27.619 ( -0.114 -8.786 -0.590) 8.807 27.619 ( -0.114 8.786 -0.590) 8.807 27.691 ( 0.121 -10.282 0.667) 10.304 27.691 ( 0.121 10.282 0.667) 10.305 31.895 ( 0.076 -8.859 0.046) 8.860 31.895 ( 0.076 8.859 0.046) 8.860 31.953 ( -0.087 -7.873 -0.093) 7.874 31.953 ( -0.087 7.873 -0.093) 7.874 36.490 ( -0.015 -2.343 0.045) 2.344 36.490 ( -0.015 2.343 0.045) 2.344 36.755 ( 0.019 -4.587 -0.044) 4.587 36.755 ( 0.019 4.587 -0.044) 4.587 ======================= Grid point 175 (89/126) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.615 -3.141 -1.791) 3.960 1.382 ( 1.615 3.141 -1.791) 3.960 1.592 ( 3.951 -6.557 1.037) 7.725 1.592 ( 3.951 6.557 1.037) 7.725 1.744 ( 3.611 -0.755 -1.161) 3.867 1.744 ( 3.611 0.755 -1.161) 3.867 2.128 ( 0.981 -1.458 1.991) 2.655 2.128 ( 0.981 1.458 1.991) 2.655 2.528 ( -1.141 -1.441 -0.804) 2.006 2.528 ( -1.141 1.441 -0.804) 2.006 2.612 ( 3.804 -3.502 2.268) 5.646 2.612 ( 3.804 3.502 2.268) 5.646 2.941 ( -0.728 -2.779 0.979) 3.035 2.941 ( -0.728 2.779 0.979) 3.035 3.137 ( 2.574 -3.857 -2.342) 5.195 3.137 ( 2.574 3.857 -2.342) 5.195 3.354 ( -2.864 -5.186 1.516) 6.115 3.354 ( -2.864 5.186 1.516) 6.115 3.515 ( -0.975 -4.241 -1.651) 4.654 3.515 ( -0.975 4.241 -1.651) 4.654 4.798 ( -2.657 -5.607 0.112) 6.206 4.798 ( -2.657 5.607 0.112) 6.206 4.854 ( -1.009 -5.295 0.015) 5.390 4.854 ( -1.009 5.295 0.015) 5.390 8.339 ( -0.918 -4.420 -0.441) 4.535 8.339 ( -0.918 4.420 -0.441) 4.535 8.432 ( 2.816 -3.334 0.411) 4.383 8.432 ( 2.816 3.334 0.411) 4.383 9.682 ( -0.016 -24.800 -0.086) 24.800 9.682 ( -0.016 24.800 -0.086) 24.801 9.726 ( 0.334 -24.234 0.082) 24.236 9.726 ( 0.334 24.233 0.082) 24.236 10.500 ( 0.016 -8.876 0.258) 8.880 10.500 ( 0.016 8.876 0.258) 8.880 10.537 ( -0.036 -8.220 -0.441) 8.231 10.537 ( -0.036 8.220 -0.441) 8.231 13.998 ( 0.224 -0.380 0.063) 0.445 13.998 ( 0.224 0.380 0.063) 0.445 14.201 ( 0.472 -0.340 0.071) 0.586 14.201 ( 0.472 0.340 0.071) 0.586 16.691 ( 0.002 -2.687 -0.264) 2.700 16.691 ( 0.002 2.687 -0.264) 2.700 16.737 ( -0.382 -2.999 0.239) 3.032 16.737 ( -0.382 2.999 0.239) 3.032 20.786 ( 0.208 -6.185 0.286) 6.195 20.786 ( 0.208 6.185 0.286) 6.195 20.812 ( 0.276 -5.391 -0.309) 5.407 20.812 ( 0.276 5.391 -0.308) 5.407 27.598 ( -1.171 -11.701 -0.539) 11.772 27.598 ( -1.171 11.701 -0.539) 11.772 27.730 ( 2.983 -9.774 0.604) 10.236 27.730 ( 2.983 9.774 0.604) 10.236 31.891 ( -0.526 -3.123 -0.073) 3.168 31.891 ( -0.526 3.123 -0.073) 3.168 31.946 ( -0.565 -2.138 0.032) 2.211 31.946 ( -0.565 2.138 0.032) 2.211 36.502 ( 1.150 -1.437 0.048) 1.841 36.502 ( 1.150 1.437 0.048) 1.841 36.749 ( -0.625 -4.224 -0.048) 4.271 36.749 ( -0.625 4.224 -0.048) 4.271 ======================= Grid point 177 (90/126) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.368 -2.147 -0.845) 2.683 1.399 ( 1.368 2.147 -0.845) 2.683 1.660 ( 3.801 -4.793 -2.283) 6.529 1.660 ( 3.801 4.793 -2.283) 6.530 1.846 ( 4.246 -3.113 3.435) 6.286 1.846 ( 4.246 3.113 3.435) 6.286 2.184 ( 3.933 -3.810 0.153) 5.478 2.184 ( 3.933 3.810 0.153) 5.478 2.509 ( 0.744 -2.294 -1.190) 2.689 2.509 ( 0.744 2.294 -1.190) 2.689 2.650 ( 0.737 -3.835 -1.729) 4.271 2.650 ( 0.737 3.835 -1.729) 4.271 2.957 ( 1.513 -2.762 -0.563) 3.199 2.957 ( 1.513 2.762 -0.563) 3.199 3.172 ( -0.155 -10.286 1.004) 10.336 3.172 ( -0.155 10.286 1.004) 10.336 3.316 ( -1.003 -5.193 1.144) 5.411 3.316 ( -1.003 5.193 1.144) 5.411 3.489 ( -1.231 -7.127 0.485) 7.249 3.489 ( -1.231 7.127 0.485) 7.249 4.696 ( -4.783 -6.653 -2.236) 8.494 4.696 ( -4.783 6.653 -2.236) 8.494 4.864 ( -0.598 -5.269 1.964) 5.655 4.864 ( -0.598 5.269 1.964) 5.655 8.326 ( -0.202 -5.561 0.152) 5.566 8.326 ( -0.202 5.561 0.152) 5.566 8.491 ( 2.796 -3.488 -0.088) 4.471 8.491 ( 2.796 3.488 -0.088) 4.471 9.681 ( -0.001 -37.614 0.070) 37.614 9.681 ( -0.001 37.614 0.070) 37.614 9.735 ( 0.521 -35.810 -0.103) 35.814 9.735 ( 0.521 35.810 -0.103) 35.814 10.474 ( -0.998 -11.305 -1.379) 11.432 10.474 ( -0.998 11.305 -1.379) 11.432 10.564 ( 1.071 -10.379 1.548) 10.548 10.564 ( 1.071 10.379 1.548) 10.548 13.978 ( -0.803 -7.224 -1.837) 7.497 13.978 ( -0.803 7.224 -1.837) 7.497 14.235 ( 1.620 -8.736 1.641) 9.035 14.235 ( 1.620 8.736 1.641) 9.035 16.685 ( -0.189 -6.296 -0.448) 6.314 16.685 ( -0.189 6.296 -0.448) 6.314 16.734 ( -0.348 -7.000 0.463) 7.024 16.734 ( -0.348 7.000 0.463) 7.024 20.798 ( 0.591 -17.575 0.417) 17.590 20.798 ( 0.591 17.575 0.417) 17.590 20.812 ( 0.154 -17.722 -0.462) 17.729 20.812 ( 0.154 17.722 -0.462) 17.729 27.576 ( -0.720 -16.625 0.058) 16.641 27.576 ( -0.720 16.625 0.058) 16.641 27.797 ( 3.384 -13.723 -0.061) 14.135 27.797 ( 3.384 13.723 -0.061) 14.135 31.876 ( -0.820 -8.252 -0.168) 8.294 31.876 ( -0.820 8.252 -0.168) 8.294 31.933 ( -0.814 -7.033 0.179) 7.082 31.933 ( -0.814 7.033 0.179) 7.082 36.533 ( 1.987 -0.207 0.061) 1.998 36.533 ( 1.987 0.207 0.061) 1.998 36.731 ( -1.235 -4.166 -0.067) 4.346 36.731 ( -1.235 4.166 -0.067) 4.346 ======================= Grid point 179 (91/126) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.645 -2.300 1.358) 3.137 1.428 ( 1.645 2.300 1.358) 3.137 1.701 ( 2.429 -5.699 -2.876) 6.830 1.701 ( 2.429 5.699 -2.876) 6.830 1.916 ( -0.435 -3.687 4.968) 6.202 1.916 ( -0.435 3.687 4.968) 6.202 2.268 ( 5.290 -2.351 -3.103) 6.568 2.268 ( 5.290 2.351 -3.103) 6.568 2.544 ( 2.652 -2.585 0.152) 3.706 2.544 ( 2.652 2.585 0.152) 3.706 2.640 ( -0.130 -3.456 -1.945) 3.968 2.640 ( -0.130 3.457 -1.945) 3.968 2.971 ( 1.375 -3.692 -2.395) 4.610 2.971 ( 1.375 3.692 -2.395) 4.610 3.147 ( -2.602 -7.288 3.367) 8.439 3.147 ( -2.602 7.288 3.367) 8.439 3.318 ( -0.344 -1.086 -1.149) 1.618 3.318 ( -0.344 1.086 -1.149) 1.618 3.479 ( -0.628 -11.382 1.004) 11.444 3.479 ( -0.628 11.382 1.004) 11.444 4.616 ( -2.195 -6.996 0.627) 7.359 4.616 ( -2.195 6.996 0.627) 7.359 4.851 ( -1.412 -4.475 -0.443) 4.714 4.851 ( -1.412 4.475 -0.443) 4.714 8.334 ( 0.269 -5.624 1.460) 5.816 8.334 ( 0.269 5.624 1.460) 5.816 8.528 ( 1.498 -2.954 -1.268) 3.547 8.528 ( 1.498 2.954 -1.268) 3.547 9.684 ( 0.049 -44.111 0.409) 44.113 9.684 ( 0.049 44.111 0.409) 44.113 9.742 ( 0.363 -41.713 -0.522) 41.718 9.742 ( 0.363 41.713 -0.522) 41.718 10.457 ( -0.074 -11.719 0.121) 11.720 10.457 ( -0.074 11.719 0.121) 11.720 10.584 ( 0.060 -10.258 0.120) 10.259 10.584 ( 0.060 10.258 0.120) 10.259 13.962 ( 0.277 -8.903 -0.121) 8.908 13.962 ( 0.277 8.903 -0.121) 8.908 14.264 ( 0.364 -11.134 -0.000) 11.140 14.264 ( 0.364 11.134 -0.000) 11.140 16.681 ( 0.064 -8.788 -0.024) 8.788 16.681 ( 0.064 8.788 -0.024) 8.788 16.728 ( -0.455 -9.648 0.054) 9.659 16.728 ( -0.455 9.648 0.054) 9.659 20.804 ( 0.130 -13.637 -0.812) 13.662 20.804 ( 0.130 13.637 -0.812) 13.662 20.819 ( 0.457 -14.163 0.756) 14.190 20.819 ( 0.457 14.163 0.756) 14.190 27.574 ( -0.095 -16.497 1.246) 16.544 27.574 ( -0.095 16.497 1.246) 16.544 27.846 ( 2.033 -12.849 -1.382) 13.082 27.846 ( 2.033 12.849 -1.382) 13.082 31.862 ( -0.458 -12.418 0.120) 12.427 31.862 ( -0.458 12.418 0.120) 12.427 31.919 ( -0.748 -10.914 0.004) 10.939 31.919 ( -0.748 10.914 0.004) 10.939 36.574 ( 2.041 -1.436 0.093) 2.498 36.574 ( 2.041 1.436 0.093) 2.498 36.703 ( -1.504 -3.379 -0.112) 3.700 36.703 ( -1.504 3.379 -0.112) 3.700 ======================= Grid point 221 (92/126) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 8.564 0.000 -16.112) 18.247 0.779 ( -8.564 0.000 16.112) 18.247 1.017 ( -12.210 0.000 -20.649) 23.988 1.017 ( 12.210 0.000 20.649) 23.988 1.488 ( -2.493 0.000 -32.862) 32.957 1.488 ( 2.493 0.000 32.862) 32.957 1.860 ( 2.641 0.000 -3.932) 4.737 1.860 ( -2.641 0.000 3.932) 4.737 2.254 ( 5.358 0.000 -6.577) 8.483 2.254 ( -5.358 0.000 6.577) 8.483 2.328 ( 0.009 0.000 -2.604) 2.604 2.328 ( -0.009 0.000 2.604) 2.604 2.458 ( -3.143 0.000 -7.781) 8.392 2.458 ( 3.143 0.000 7.781) 8.392 2.785 ( 0.415 0.000 -4.312) 4.332 2.785 ( -0.415 0.000 4.312) 4.332 3.192 ( -3.458 0.000 -3.404) 4.852 3.192 ( 3.458 0.000 3.404) 4.852 3.837 ( 0.136 0.000 -13.627) 13.628 3.837 ( -0.136 0.000 13.627) 13.628 4.423 ( -5.324 0.000 -7.663) 9.331 4.423 ( 5.324 0.000 7.663) 9.331 5.070 ( -1.318 0.000 -2.604) 2.918 5.070 ( 1.318 0.000 2.604) 2.918 6.393 ( -0.014 0.000 -1.140) 1.141 6.393 ( 0.014 0.000 1.140) 1.141 7.662 ( 0.350 0.000 -2.799) 2.820 7.662 ( -0.350 0.000 2.799) 2.820 9.403 ( -1.308 0.000 -1.230) 1.796 9.403 ( 1.308 0.000 1.230) 1.796 9.553 ( -1.488 0.000 0.480) 1.564 9.553 ( 1.488 0.000 -0.480) 1.564 11.995 ( -1.261 0.000 0.167) 1.272 11.995 ( 1.261 0.000 -0.167) 1.272 12.563 ( -3.730 0.000 -1.071) 3.881 12.563 ( 3.730 0.000 1.071) 3.881 13.518 ( 0.319 0.000 -0.540) 0.627 13.518 ( -0.319 0.000 0.540) 0.627 15.327 ( 0.203 0.000 -0.232) 0.309 15.327 ( -0.203 0.000 0.232) 0.309 15.878 ( -9.566 0.000 -0.107) 9.567 15.878 ( 9.566 0.000 0.107) 9.567 16.187 ( -0.282 0.000 -0.087) 0.295 16.187 ( 0.282 0.000 0.087) 0.295 18.485 ( 0.151 0.000 -0.596) 0.615 18.485 ( -0.151 0.000 0.596) 0.615 22.998 ( -6.690 0.000 -0.170) 6.692 22.998 ( 6.690 0.000 0.170) 6.692 24.988 ( 0.112 0.000 -0.131) 0.172 24.988 ( -0.112 0.000 0.131) 0.172 28.865 ( -5.577 0.000 0.286) 5.585 28.865 ( 5.577 0.000 -0.286) 5.585 32.141 ( -38.989 0.000 1.726) 39.027 32.141 ( 38.989 0.000 -1.726) 39.027 32.907 ( -0.208 0.000 -0.175) 0.272 32.907 ( 0.208 0.000 0.175) 0.272 36.445 ( -8.107 0.000 -6.218) 10.217 36.445 ( 8.107 0.000 6.218) 10.217 37.095 ( -34.697 0.000 -4.833) 35.032 37.095 ( 34.697 0.000 4.833) 35.032 ======================= Grid point 223 (93/126) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -5.391 0.000 -23.016) 23.639 0.758 ( 6.592 0.000 -19.612) 20.690 0.876 ( 0.257 0.000 18.605) 18.607 1.396 ( 15.838 0.000 -2.140) 15.982 1.437 ( 15.411 0.000 -3.236) 15.747 1.831 ( -0.330 0.000 3.027) 3.045 1.879 ( 2.477 0.000 -3.144) 4.003 1.922 ( 10.103 0.000 27.581) 29.373 2.181 ( -5.932 0.000 -9.091) 10.855 2.185 ( -8.179 0.000 -5.913) 10.093 2.264 ( -1.477 0.000 7.355) 7.502 2.346 ( 4.158 0.000 -1.754) 4.513 2.414 ( 0.918 0.000 -2.615) 2.772 2.581 ( 2.798 0.000 5.941) 6.567 2.659 ( -14.439 0.000 -0.709) 14.456 2.743 ( -0.127 0.000 -2.764) 2.767 3.181 ( 3.114 0.000 0.090) 3.115 3.274 ( 1.884 0.000 0.849) 2.067 3.691 ( -3.634 0.000 -16.050) 16.457 3.939 ( -1.230 0.000 12.560) 12.620 4.249 ( -6.148 0.000 -4.500) 7.619 4.522 ( -3.186 0.000 8.513) 9.090 5.021 ( -1.355 0.000 -2.552) 2.890 5.112 ( 1.113 0.000 1.643) 1.985 6.394 ( 1.018 0.000 -0.937) 1.383 6.411 ( 0.809 0.000 1.023) 1.304 7.652 ( 1.066 0.000 -2.782) 2.979 7.680 ( -0.199 0.000 2.594) 2.602 9.393 ( 0.565 0.000 -0.801) 0.980 9.484 ( 5.257 0.000 1.302) 5.416 9.534 ( -1.016 0.000 0.905) 1.361 9.581 ( 1.514 0.000 0.692) 1.665 11.975 ( -0.733 0.000 0.427) 0.849 11.998 ( -0.982 0.000 -0.922) 1.347 12.437 ( -5.388 0.000 -4.375) 6.941 12.603 ( 0.675 0.000 -0.132) 0.688 13.509 ( -0.662 0.000 -0.608) 0.899 13.513 ( -0.397 0.000 0.449) 0.600 15.324 ( -0.054 0.000 0.347) 0.351 15.325 ( -0.197 0.000 -0.264) 0.329 15.609 ( -10.714 0.000 -8.487) 13.668 15.963 ( 1.992 0.000 -3.275) 3.833 16.168 ( -2.051 0.000 0.237) 2.065 16.170 ( -0.886 0.000 -0.025) 0.886 18.490 ( 0.516 0.000 -0.554) 0.757 18.513 ( 2.371 0.000 0.713) 2.475 22.937 ( -1.033 0.000 2.004) 2.254 23.164 ( 5.687 0.000 4.879) 7.493 24.987 ( -0.096 0.000 0.121) 0.155 24.987 ( -0.112 0.000 -0.156) 0.192 28.685 ( -8.330 0.000 -6.203) 10.386 28.905 ( 0.423 0.000 -1.739) 1.790 31.333 ( -24.631 0.000 -17.979) 30.495 32.458 ( 2.940 0.000 -14.264) 14.563 32.922 ( 1.343 0.000 -0.450) 1.417 32.971 ( 5.091 0.000 -0.836) 5.159 36.278 ( -5.643 0.000 -1.760) 5.911 36.543 ( -11.569 0.000 0.181) 11.570 36.739 ( 5.928 0.000 10.693) 12.226 37.798 ( 21.573 0.000 15.087) 26.325 ======================= Grid point 224 (94/126) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 13.180 0.000 -5.506) 14.283 0.885 ( 17.681 0.000 -4.140) 18.159 1.130 ( 8.646 0.000 16.135) 18.306 1.683 ( 11.293 0.000 -3.672) 11.875 1.722 ( 13.345 0.000 -5.423) 14.405 1.805 ( -2.913 0.000 0.657) 2.986 1.911 ( 3.852 0.000 -4.773) 6.134 1.981 ( -5.206 0.000 -7.837) 9.408 1.985 ( -2.246 0.000 -0.094) 2.248 2.274 ( -7.550 0.000 -4.161) 8.621 2.333 ( 9.478 0.000 16.468) 19.001 2.388 ( 0.064 0.000 1.743) 1.744 2.397 ( -3.593 0.000 5.994) 6.988 2.435 ( -1.431 0.000 5.477) 5.661 2.686 ( 4.784 0.000 5.214) 7.076 2.726 ( 0.985 0.000 -4.994) 5.091 3.211 ( -0.906 0.000 -0.020) 0.906 3.263 ( -3.421 0.000 -2.876) 4.469 3.431 ( -8.147 0.000 -14.383) 16.530 3.924 ( -10.257 0.000 6.888) 12.355 4.141 ( -2.102 0.000 -2.073) 2.952 4.455 ( -7.467 0.000 3.779) 8.369 4.995 ( 0.166 0.000 -0.115) 0.202 5.133 ( 0.172 0.000 0.093) 0.196 6.415 ( 1.633 0.000 -0.582) 1.734 6.436 ( 0.928 0.000 0.683) 1.153 7.656 ( 1.501 0.000 -2.320) 2.763 7.695 ( -0.490 0.000 2.292) 2.344 9.407 ( 0.924 0.000 1.015) 1.373 9.530 ( -0.347 0.000 1.085) 1.139 9.550 ( 1.634 0.000 -1.700) 2.358 9.625 ( 1.745 0.000 -0.821) 1.928 11.969 ( -0.278 0.000 -0.165) 0.323 11.976 ( 0.294 0.000 0.560) 0.633 12.367 ( 0.256 0.000 0.045) 0.260 12.599 ( -0.564 0.000 -1.057) 1.198 13.496 ( -0.196 0.000 0.090) 0.216 13.512 ( -0.006 0.000 0.058) 0.058 15.318 ( -0.265 0.000 -0.266) 0.376 15.341 ( 0.635 0.000 0.407) 0.754 15.459 ( 0.019 0.000 -1.457) 1.458 15.927 ( -2.210 0.000 -4.138) 4.691 16.135 ( -1.121 0.000 0.154) 1.132 16.157 ( -0.581 0.000 0.148) 0.599 18.494 ( 0.118 0.000 0.242) 0.269 18.557 ( 1.680 0.000 -1.049) 1.981 22.965 ( 1.438 0.000 2.580) 2.954 23.220 ( -1.806 0.000 0.683) 1.931 24.984 ( -0.053 0.000 -0.011) 0.054 24.987 ( -0.013 0.000 0.055) 0.056 28.581 ( 1.261 0.000 -0.913) 1.557 28.876 ( -1.457 0.000 -2.058) 2.521 31.080 ( 2.889 0.000 -1.853) 3.432 32.230 ( -10.644 0.000 -14.995) 18.389 32.943 ( 1.357 0.000 -0.684) 1.520 33.016 ( 0.276 0.000 0.162) 0.319 36.200 ( -2.966 0.000 2.383) 3.805 36.378 ( -2.901 0.000 -5.743) 6.434 37.029 ( 9.943 0.000 15.445) 18.369 38.041 ( -0.484 0.000 0.024) 0.484 ======================= Grid point 225 (95/126) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 15.740 0.000 9.438) 18.353 1.261 ( 17.613 0.000 5.139) 18.348 1.380 ( 6.865 0.000 4.358) 8.132 1.517 ( -10.558 0.000 -11.095) 15.315 1.749 ( -3.508 0.000 3.642) 5.057 1.845 ( -0.510 0.000 -7.573) 7.590 1.899 ( -2.917 0.000 -3.061) 4.228 1.907 ( 0.179 0.000 0.413) 0.450 2.178 ( 9.454 0.000 11.035) 14.531 2.238 ( 13.476 0.000 -4.179) 14.109 2.361 ( -2.929 0.000 0.755) 3.025 2.413 ( 1.743 0.000 -0.422) 1.794 2.492 ( -0.086 0.000 0.704) 0.709 2.514 ( 0.167 0.000 11.068) 11.070 2.683 ( 0.086 0.000 -7.903) 7.903 2.895 ( 9.188 0.000 4.458) 10.212 3.003 ( -13.894 0.000 -6.680) 15.416 3.162 ( -3.557 0.000 0.299) 3.570 3.298 ( 0.812 0.000 -4.200) 4.277 3.687 ( -15.617 0.000 0.246) 15.619 4.132 ( 1.794 0.000 0.387) 1.835 4.334 ( -6.701 0.000 0.095) 6.701 5.023 ( 1.421 0.000 2.354) 2.750 5.119 ( -0.968 0.000 -1.552) 1.829 6.441 ( 1.371 0.000 -0.332) 1.411 6.455 ( 0.432 0.000 0.377) 0.574 7.669 ( 1.648 0.000 -1.839) 2.470 7.697 ( -1.069 0.000 1.898) 2.178 9.451 ( 1.506 0.000 3.879) 4.161 9.536 ( 0.019 0.000 1.163) 1.163 9.550 ( 0.455 0.000 -2.340) 2.384 9.606 ( -0.600 0.000 -5.234) 5.268 11.983 ( 0.526 0.000 1.205) 1.315 11.989 ( 0.483 0.000 0.252) 0.545 12.416 ( 2.121 0.000 4.313) 4.807 12.563 ( -1.506 0.000 -2.700) 3.092 13.501 ( 0.119 0.000 0.776) 0.785 13.512 ( 0.144 0.000 -0.420) 0.444 15.313 ( -0.004 0.000 -0.092) 0.093 15.332 ( -0.506 0.000 -1.039) 1.156 15.543 ( 4.003 0.000 7.126) 8.174 15.824 ( -3.928 0.000 -5.869) 7.062 16.128 ( 0.119 0.000 -0.033) 0.123 16.147 ( -0.621 0.000 0.069) 0.625 18.505 ( 0.307 0.000 1.670) 1.698 18.557 ( 0.344 0.000 -2.911) 2.931 23.022 ( 1.914 0.000 3.171) 3.704 23.159 ( -2.580 0.000 -2.841) 3.838 24.985 ( 0.019 0.000 0.157) 0.158 24.987 ( 0.018 0.000 -0.048) 0.051 28.652 ( 3.017 0.000 4.481) 5.402 28.820 ( -2.160 0.000 -3.042) 3.731 31.248 ( 7.936 0.000 11.564) 14.025 31.874 ( -11.837 0.000 -16.031) 19.928 32.964 ( 1.400 0.000 -0.669) 1.552 33.007 ( -1.259 0.000 0.733) 1.457 36.195 ( -1.247 0.000 5.726) 5.860 36.298 ( 0.081 0.000 -8.314) 8.314 37.349 ( 8.768 0.000 17.756) 19.802 37.906 ( -5.767 0.000 -12.935) 14.162 ======================= Grid point 226 (96/126) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -11.189 0.000 -12.262) 16.600 1.212 ( 11.189 0.000 12.262) 16.600 1.490 ( 3.675 0.000 -6.603) 7.557 1.490 ( -3.675 0.000 6.603) 7.557 1.711 ( 4.513 0.000 -10.230) 11.181 1.711 ( -4.513 0.000 10.230) 11.181 1.917 ( 2.572 0.000 -3.022) 3.968 1.917 ( -2.572 0.000 3.022) 3.968 2.337 ( 2.808 0.000 -4.897) 5.645 2.337 ( -2.808 0.000 4.897) 5.645 2.403 ( -5.442 0.000 -7.554) 9.310 2.403 ( 5.442 0.000 7.554) 9.310 2.601 ( -2.328 0.000 -9.817) 10.090 2.601 ( 2.328 0.000 9.817) 10.090 2.626 ( -18.011 0.000 4.014) 18.452 2.626 ( 18.011 0.000 -4.014) 18.452 3.092 ( 5.699 0.000 -2.163) 6.095 3.092 ( -5.699 0.000 2.163) 6.095 3.400 ( -11.525 0.000 -1.797) 11.664 3.400 ( 11.525 0.000 1.797) 11.664 4.210 ( -5.135 0.000 -1.457) 5.337 4.210 ( 5.135 0.000 1.457) 5.337 5.075 ( -1.591 0.000 -2.650) 3.091 5.075 ( 1.591 0.000 2.650) 3.091 6.457 ( 0.472 0.000 -0.264) 0.540 6.457 ( -0.472 0.000 0.264) 0.540 7.686 ( 1.550 0.000 -1.664) 2.274 7.686 ( -1.550 0.000 1.664) 2.274 9.520 ( -0.793 0.000 -5.851) 5.904 9.520 ( 0.793 0.000 5.851) 5.904 9.552 ( -0.752 0.000 -1.717) 1.874 9.552 ( 0.752 0.000 1.717) 1.874 11.994 ( 0.094 0.000 -0.470) 0.479 11.994 ( -0.094 0.000 0.470) 0.479 12.497 ( -2.172 0.000 -4.395) 4.903 12.497 ( 2.172 0.000 4.395) 4.903 13.509 ( 0.020 0.000 -0.776) 0.776 13.509 ( -0.020 0.000 0.776) 0.776 15.317 ( -0.340 0.000 -0.367) 0.500 15.317 ( 0.340 0.000 0.367) 0.500 15.687 ( -4.221 0.000 -7.700) 8.782 15.687 ( 4.221 0.000 7.700) 8.782 16.135 ( -0.591 0.000 0.019) 0.591 16.135 ( 0.591 0.000 -0.019) 0.591 18.531 ( -0.301 0.000 -2.922) 2.938 18.531 ( 0.301 0.000 2.922) 2.938 23.088 ( -2.063 0.000 -3.451) 4.021 23.088 ( 2.063 0.000 3.451) 4.021 24.986 ( 0.002 0.000 -0.142) 0.142 24.986 ( -0.002 0.000 0.142) 0.142 28.744 ( -2.527 0.000 -4.375) 5.053 28.744 ( 2.527 0.000 4.375) 5.053 31.534 ( -9.626 0.000 -15.854) 18.548 31.534 ( 9.626 0.000 15.854) 18.548 32.986 ( 1.462 0.000 -0.684) 1.614 32.986 ( -1.462 0.000 0.684) 1.614 36.237 ( 0.576 0.000 -7.913) 7.934 36.237 ( -0.576 0.000 7.913) 7.934 37.650 ( -7.185 0.000 -17.511) 18.928 37.650 ( 7.185 0.000 17.511) 18.928 ======================= Grid point 231 (97/126) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 2.619 4.167 -18.628) 19.267 0.778 ( -2.619 4.167 18.628) 19.267 1.061 ( 5.956 1.828 -21.451) 22.338 1.061 ( -5.956 1.828 21.451) 22.338 1.698 ( -10.557 17.922 -23.058) 31.053 1.698 ( 10.557 17.922 23.058) 31.053 1.894 ( 1.996 4.155 -5.875) 7.468 1.894 ( -1.996 4.155 5.875) 7.468 2.202 ( 2.696 -3.548 -6.099) 7.553 2.202 ( -2.696 -3.548 6.099) 7.553 2.375 ( -2.339 3.463 -0.966) 4.289 2.375 ( 2.339 3.463 0.966) 4.289 2.627 ( -1.343 12.269 -6.202) 13.813 2.627 ( 1.343 12.269 6.202) 13.813 2.856 ( 0.792 9.158 -4.742) 10.343 2.856 ( -0.792 9.158 4.742) 10.343 3.178 ( -3.598 -1.484 -3.447) 5.199 3.178 ( 3.598 -1.484 3.447) 5.199 3.668 ( -1.359 -15.084 -8.052) 17.152 3.668 ( 1.359 -15.084 8.052) 17.152 4.384 ( -3.969 -1.672 -5.380) 6.892 4.384 ( 3.969 -1.672 5.380) 6.892 5.079 ( -1.798 0.140 -4.363) 4.721 5.079 ( 1.798 0.140 4.363) 4.721 6.398 ( -0.230 1.801 -1.495) 2.352 6.398 ( 0.230 1.801 1.495) 2.352 7.700 ( -0.166 3.670 -3.150) 4.840 7.700 ( 0.166 3.670 3.150) 4.840 9.382 ( -1.609 -2.210 -1.508) 3.122 9.382 ( 1.609 -2.210 1.508) 3.122 9.618 ( -1.030 5.878 -0.197) 5.971 9.618 ( 1.030 5.878 0.197) 5.971 11.906 ( -0.098 -8.578 -0.238) 8.582 11.906 ( 0.098 -8.578 0.238) 8.582 12.486 ( -3.267 -5.789 -3.158) 7.360 12.486 ( 3.267 -5.789 3.158) 7.360 13.920 ( -3.526 29.892 -14.569) 33.440 13.920 ( 3.526 29.892 14.569) 33.440 15.397 ( -5.212 -20.539 -0.153) 21.191 15.397 ( 5.212 -20.539 0.153) 21.191 15.418 ( -0.169 -2.232 -0.566) 2.308 15.418 ( 0.169 -2.232 0.566) 2.308 16.526 ( -4.422 18.081 -0.766) 18.630 16.526 ( 4.422 18.081 0.766) 18.630 18.546 ( 1.071 7.051 -0.985) 7.200 18.546 ( -1.071 7.051 0.985) 7.200 22.913 ( -5.175 -8.243 0.641) 9.754 22.913 ( 5.175 -8.243 -0.641) 9.754 25.375 ( -1.596 33.652 -12.730) 36.015 25.375 ( 1.596 33.652 12.730) 36.015 28.821 ( -5.442 -4.459 -0.836) 7.085 28.821 ( 5.442 -4.459 0.836) 7.085 31.958 ( -31.344 -15.661 -4.583) 35.337 31.958 ( 31.344 -15.661 4.583) 35.337 32.866 ( -0.165 -4.021 -0.333) 4.038 32.866 ( 0.165 -4.021 0.333) 4.038 36.459 ( -7.412 1.233 -6.082) 9.667 36.459 ( 7.412 1.233 6.082) 9.667 37.047 ( -28.371 -4.244 -3.146) 28.859 37.047 ( 28.371 -4.244 3.146) 28.859 ======================= Grid point 233 (98/126) ======================= q-point: ( 0.12 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 10.554 12.675 -8.639) 18.619 0.902 ( 2.652 6.497 14.498) 16.107 1.032 ( -0.070 17.915 -15.677) 23.806 1.297 ( 8.020 -7.849 22.460) 25.108 1.450 ( 10.676 6.002 -21.369) 24.630 1.874 ( -0.186 3.432 0.772) 3.523 1.900 ( 1.841 2.384 -1.916) 3.571 2.110 ( 7.517 11.416 14.827) 20.166 2.165 ( -1.240 -1.189 -5.488) 5.751 2.221 ( -0.032 1.157 2.936) 3.156 2.272 ( -4.996 3.788 3.097) 6.993 2.415 ( 2.270 5.922 -1.407) 6.496 2.519 ( -3.847 10.137 -3.575) 11.417 2.657 ( -4.315 6.520 -1.158) 7.904 2.780 ( -3.068 5.516 -3.412) 7.175 2.811 ( -3.935 14.149 5.381) 15.641 3.160 ( 2.360 -1.955 -0.736) 3.152 3.263 ( 1.997 -0.878 0.801) 2.324 3.552 ( -3.208 -12.411 -11.419) 17.168 3.762 ( 1.335 -15.199 6.697) 16.663 4.250 ( -4.767 0.495 -4.485) 6.564 4.465 ( -0.350 -1.850 4.787) 5.144 5.013 ( -1.508 -0.746 -2.857) 3.316 5.133 ( -0.281 0.515 3.851) 3.895 6.394 ( 0.804 1.056 -0.791) 1.545 6.426 ( 1.180 2.788 1.318) 3.302 7.681 ( 0.822 2.954 -2.929) 4.240 7.735 ( 0.460 4.762 3.080) 5.690 9.353 ( -0.389 -3.322 -0.922) 3.470 9.447 ( 3.774 -3.111 1.230) 5.043 9.581 ( -1.416 4.144 0.057) 4.380 9.657 ( 1.783 6.838 -0.738) 7.105 11.892 ( -0.637 -8.232 0.273) 8.261 11.908 ( -0.456 -8.505 -0.553) 8.535 12.388 ( -2.981 -3.776 -3.666) 6.049 12.548 ( 1.297 -5.270 1.062) 5.531 13.759 ( -3.533 21.390 -5.883) 22.464 14.075 ( -4.750 39.286 19.035) 43.912 15.226 ( -7.870 -25.736 -5.225) 27.415 15.405 ( -0.634 4.253 -0.422) 4.321 15.418 ( 0.081 6.181 -0.260) 6.187 15.457 ( 1.167 -27.689 -0.443) 27.717 16.416 ( -3.951 17.476 -2.379) 18.075 16.572 ( 0.232 19.356 -0.628) 19.367 18.543 ( 0.618 4.740 0.226) 4.786 18.556 ( 0.504 6.990 -1.027) 7.083 22.862 ( -1.092 -7.614 1.602) 7.857 23.025 ( 5.129 -11.656 0.379) 12.740 25.254 ( -2.547 25.012 -5.416) 25.718 25.465 ( -7.025 39.016 16.432) 42.914 28.648 ( -7.180 -3.662 -6.201) 10.169 28.870 ( 0.633 -3.534 -1.154) 3.771 31.299 ( -18.883 -2.702 -16.026) 24.914 32.296 ( 5.096 -15.306 -9.085) 18.514 32.884 ( 1.300 -3.895 -0.303) 4.118 32.901 ( 3.242 -6.092 0.452) 6.916 36.303 ( -5.071 2.245 -2.510) 6.088 36.562 ( -11.844 1.629 0.628) 11.972 36.724 ( 5.991 -1.348 9.263) 11.113 37.628 ( 21.146 -14.378 7.176) 26.559 ======================= Grid point 234 (99/126) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 4.752 23.017 -12.835) 26.778 1.015 ( 13.908 12.294 6.832) 19.780 1.158 ( 10.429 5.214 11.177) 16.152 1.613 ( 10.208 -5.517 3.742) 12.192 1.645 ( 12.509 -4.759 -1.522) 13.470 1.866 ( 0.928 1.893 -4.992) 5.419 1.934 ( 2.267 3.091 -0.425) 3.857 2.016 ( -3.494 1.030 -2.907) 4.660 2.051 ( -6.559 5.385 -5.950) 10.365 2.257 ( 0.625 1.122 -1.320) 1.842 2.385 ( -0.067 3.656 1.022) 3.797 2.401 ( -7.388 1.028 6.331) 9.783 2.534 ( 5.718 15.361 10.846) 19.654 2.543 ( -0.893 8.247 0.777) 8.332 2.756 ( 1.369 3.082 -4.619) 5.719 2.837 ( 2.284 13.948 4.740) 14.907 3.174 ( -1.053 -3.381 0.185) 3.546 3.244 ( -4.400 -1.938 -4.278) 6.435 3.358 ( -5.027 -5.841 -9.955) 12.589 3.766 ( -6.689 -13.316 3.600) 15.330 4.156 ( -1.765 1.532 -2.185) 3.199 4.447 ( -4.388 0.685 2.480) 5.087 4.986 ( 0.164 -0.854 -0.293) 0.917 5.133 ( -1.458 -0.483 1.106) 1.893 6.414 ( 1.490 0.899 -0.001) 1.740 6.458 ( 1.231 3.223 0.430) 3.477 7.682 ( 1.495 2.660 -2.275) 3.807 7.757 ( -0.625 5.432 2.274) 5.922 9.352 ( 0.579 -4.353 0.522) 4.422 9.526 ( 3.532 -4.450 -1.512) 5.879 9.564 ( -0.472 3.283 0.373) 3.337 9.669 ( -0.007 6.386 -0.672) 6.422 11.885 ( -0.112 -8.230 0.124) 8.232 11.899 ( 0.086 -7.707 0.244) 7.712 12.346 ( 0.288 -2.338 0.174) 2.362 12.558 ( -0.284 -4.407 -0.744) 4.478 13.687 ( -1.107 17.100 -1.324) 17.187 14.012 ( -11.369 39.207 7.590) 41.521 15.124 ( 0.400 -26.413 -0.538) 26.421 15.383 ( -0.960 -3.032 -1.283) 3.429 15.416 ( 0.017 5.770 -0.244) 5.775 15.458 ( -0.364 -17.931 -0.509) 17.942 16.366 ( -0.206 16.863 -0.447) 16.870 16.543 ( -1.943 20.127 -1.211) 20.257 18.549 ( -0.200 5.738 0.009) 5.741 18.569 ( 1.648 3.155 -1.134) 3.736 22.885 ( 1.342 -8.082 2.303) 8.510 23.079 ( 0.674 -12.284 -1.023) 12.344 25.188 ( -1.324 19.649 -1.975) 19.792 25.372 ( -10.459 33.143 6.682) 35.390 28.557 ( 1.279 -2.467 -0.938) 2.933 28.848 ( -1.403 -2.948 -1.809) 3.732 31.096 ( 2.790 1.774 -1.668) 3.704 32.137 ( -8.935 -8.997 -12.480) 17.791 32.904 ( 1.200 -3.988 -0.526) 4.198 32.950 ( 0.828 -6.291 0.719) 6.385 36.222 ( -3.068 2.171 1.866) 4.196 36.389 ( -3.562 1.098 -4.992) 6.230 36.997 ( 9.728 -2.996 13.653) 17.030 37.874 ( 3.244 -14.956 -2.351) 15.484 ======================= Grid point 235 (100/126) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 13.569 13.665 0.379) 19.262 1.323 ( 9.308 1.633 8.595) 12.775 1.445 ( 11.949 10.099 4.055) 16.162 1.572 ( -9.020 3.619 -6.986) 11.970 1.752 ( -2.340 0.961 3.037) 3.952 1.839 ( 0.588 -2.779 -7.885) 8.381 1.931 ( -1.546 3.457 -2.431) 4.500 1.937 ( 0.238 3.237 -1.318) 3.503 2.159 ( 8.431 -4.037 10.264) 13.883 2.284 ( 8.086 4.604 -1.358) 9.403 2.349 ( -3.312 -1.072 1.798) 3.918 2.415 ( 5.262 6.625 -3.162) 9.032 2.569 ( 0.059 5.190 5.689) 7.701 2.636 ( -3.098 9.243 5.608) 11.246 2.729 ( 0.858 4.150 -7.456) 8.576 2.965 ( -3.981 4.019 -0.220) 5.661 3.003 ( -1.692 4.437 -2.515) 5.373 3.147 ( -2.356 -0.975 1.200) 2.818 3.276 ( 0.458 -1.768 -3.891) 4.298 3.581 ( -12.383 -9.253 -0.617) 15.471 4.150 ( 1.809 1.900 0.693) 2.714 4.352 ( -5.965 2.101 -0.532) 6.347 5.011 ( 1.436 -1.058 1.922) 2.622 5.105 ( -1.494 -1.431 -1.062) 2.325 6.446 ( 1.366 1.321 0.707) 2.028 6.476 ( 0.629 2.983 -0.528) 3.094 7.699 ( 1.846 2.968 -1.493) 3.801 7.750 ( -1.561 4.885 1.375) 5.309 9.387 ( 1.675 -4.806 2.714) 5.768 9.518 ( -0.572 -3.869 -4.558) 6.006 9.590 ( 1.563 3.280 0.670) 3.695 9.650 ( -1.120 5.961 -0.617) 6.097 11.896 ( 0.512 -8.490 0.807) 8.544 11.907 ( 0.285 -8.101 0.158) 8.108 12.389 ( 2.020 -2.823 3.582) 4.989 12.527 ( -1.438 -3.922 -2.560) 4.899 13.687 ( 1.127 17.125 1.024) 17.192 13.855 ( -7.080 28.893 -0.367) 29.750 15.181 ( 2.457 -26.503 4.690) 27.027 15.341 ( -1.593 -15.549 -3.126) 15.940 15.417 ( 0.268 5.733 -0.092) 5.740 15.442 ( -0.777 -4.259 -0.421) 4.350 16.384 ( 1.212 17.634 1.607) 17.748 16.489 ( -2.212 19.747 -1.932) 19.964 18.551 ( 0.003 5.129 1.179) 5.262 18.579 ( 0.779 3.260 -2.187) 4.002 22.938 ( 1.821 -8.468 2.881) 9.128 23.052 ( -1.332 -10.320 -2.612) 10.729 25.166 ( 0.102 17.756 -0.561) 17.765 25.246 ( -5.449 24.065 1.231) 24.705 28.625 ( 3.017 -2.772 4.137) 5.822 28.793 ( -2.225 -2.812 -2.927) 4.628 31.251 ( 7.518 0.450 10.172) 12.656 31.826 ( -10.736 -4.656 -14.221) 18.417 32.922 ( 1.196 -4.227 -0.605) 4.434 32.953 ( -0.814 -5.288 0.847) 5.417 36.211 ( -1.416 1.591 5.367) 5.774 36.306 ( -0.165 0.846 -7.692) 7.740 37.298 ( 8.485 -4.990 15.814) 18.628 37.792 ( -3.794 -10.665 -11.822) 16.367 ======================= Grid point 236 (101/126) ======================= q-point: (-0.50 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -10.881 7.634 -6.873) 14.964 1.313 ( 10.881 7.634 6.873) 14.964 1.528 ( 0.613 2.550 -5.945) 6.498 1.528 ( -0.613 2.550 5.945) 6.498 1.745 ( 3.139 3.710 -8.440) 9.739 1.745 ( -3.139 3.710 8.440) 9.739 1.940 ( 0.566 2.525 -2.605) 3.671 1.940 ( -0.566 2.525 2.605) 3.671 2.289 ( -0.958 -3.571 -4.654) 5.943 2.289 ( 0.958 -3.571 4.654) 5.943 2.474 ( -9.045 4.607 -1.807) 10.311 2.474 ( 9.045 4.607 1.807) 10.311 2.613 ( -1.857 4.060 -5.552) 7.125 2.613 ( 1.857 4.060 5.552) 7.125 2.711 ( 5.295 6.165 -6.933) 10.682 2.711 ( -5.295 6.165 6.933) 10.682 3.111 ( 3.807 2.907 -2.339) 5.331 3.111 ( -3.807 2.907 2.339) 5.331 3.348 ( -9.133 -4.485 -1.152) 10.240 3.348 ( 9.133 -4.485 1.152) 10.240 4.230 ( -4.576 2.217 -2.252) 5.561 4.230 ( 4.576 2.217 2.252) 5.561 5.060 ( -1.549 -1.425 -2.287) 3.108 5.060 ( 1.549 -1.425 2.287) 3.108 6.471 ( -0.229 2.201 -1.224) 2.529 6.471 ( 0.229 2.201 1.224) 2.529 7.726 ( 1.493 3.810 -1.162) 4.253 7.726 ( -1.493 3.810 1.162) 4.253 9.454 ( -1.812 -4.699 -4.487) 6.745 9.454 ( 1.812 -4.699 4.487) 6.745 9.622 ( -0.739 5.107 -0.930) 5.243 9.622 ( 0.739 5.107 0.930) 5.243 11.908 ( -0.042 -8.469 -0.476) 8.483 11.908 ( 0.042 -8.469 0.476) 8.483 12.464 ( -2.123 -3.476 -4.020) 5.723 12.464 ( 2.123 -3.476 4.020) 5.723 13.744 ( -2.919 20.925 -2.418) 21.265 13.744 ( 2.919 20.925 2.418) 21.265 15.270 ( -2.265 -24.158 -4.927) 24.759 15.270 ( 2.265 -24.158 4.927) 24.759 15.426 ( -0.303 4.008 -0.384) 4.038 15.426 ( 0.303 4.008 0.384) 4.038 16.431 ( -1.306 18.789 -2.818) 19.044 16.431 ( 1.306 18.789 2.818) 19.044 18.567 ( 0.069 4.245 -2.221) 4.792 18.567 ( -0.069 4.245 2.221) 4.792 22.998 ( -1.420 -9.049 -3.380) 9.763 22.998 ( 1.420 -9.049 3.380) 9.763 25.182 ( -1.661 18.987 -0.007) 19.059 25.182 ( 1.661 18.987 0.007) 19.059 28.716 ( -2.609 -2.867 -4.227) 5.736 28.716 ( 2.609 -2.867 4.227) 5.736 31.515 ( -8.782 -1.702 -14.463) 17.006 31.515 ( 8.782 -1.702 14.463) 17.006 32.940 ( 0.945 -4.635 -0.750) 4.789 32.940 ( -0.945 -4.635 0.750) 4.789 36.247 ( 0.610 1.088 -7.479) 7.582 36.247 ( -0.610 1.088 7.479) 7.582 37.574 ( -5.646 -7.340 -16.526) 18.943 37.574 ( 5.646 -7.340 16.526) 18.943 ======================= Grid point 241 (102/126) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 4.395 13.449 -9.588) 17.092 0.972 ( -4.395 13.449 9.588) 17.092 1.108 ( 9.366 4.700 -15.298) 18.543 1.108 ( -9.366 4.700 15.298) 18.543 1.913 ( -2.469 4.317 -3.316) 5.977 1.913 ( 2.469 4.317 3.316) 5.977 2.089 ( -0.906 4.047 -8.965) 9.877 2.089 ( 0.906 4.047 8.965) 9.877 2.194 ( -4.814 11.184 -12.646) 17.555 2.194 ( 4.814 11.184 12.646) 17.555 2.452 ( -1.176 4.393 -0.396) 4.564 2.452 ( 1.176 4.393 0.396) 4.564 2.779 ( 4.362 4.372 -2.486) 6.658 2.779 ( -4.362 4.372 2.486) 6.658 3.123 ( -4.159 -3.666 -1.775) 5.821 3.123 ( 4.159 -3.666 1.775) 5.821 3.166 ( -1.960 14.925 -7.108) 16.647 3.166 ( 1.960 14.925 7.108) 16.647 3.386 ( -1.204 -8.053 -3.493) 8.860 3.386 ( 1.204 -8.053 3.493) 8.860 4.392 ( -2.663 2.351 -6.358) 7.283 4.392 ( 2.663 2.351 6.358) 7.283 5.059 ( -1.761 -2.188 -4.849) 5.603 5.059 ( 1.761 -2.188 4.849) 5.603 6.515 ( -1.060 11.198 -2.280) 11.477 6.515 ( 1.060 11.198 2.280) 11.477 7.799 ( -0.690 6.218 -3.791) 7.315 7.799 ( 0.690 6.218 3.791) 7.315 9.318 ( -1.551 -4.305 -2.070) 5.022 9.318 ( 1.551 -4.305 2.070) 5.022 9.758 ( -2.573 7.996 -1.683) 8.566 9.758 ( 2.573 7.996 1.683) 8.566 11.680 ( -0.085 -13.932 -0.637) 13.947 11.680 ( 0.085 -13.932 0.637) 13.947 12.340 ( -2.167 -10.131 -2.596) 10.681 12.340 ( 2.167 -10.131 2.596) 10.681 14.341 ( -4.242 7.259 -12.386) 14.970 14.341 ( 4.242 7.259 12.386) 14.970 14.843 ( -0.176 -21.429 -4.750) 21.950 14.843 ( 0.176 -21.429 4.750) 21.950 15.631 ( 0.304 13.223 -0.603) 13.240 15.631 ( -0.304 13.223 0.603) 13.240 16.798 ( -3.074 9.926 -2.107) 10.602 16.798 ( 3.074 9.926 2.107) 10.602 18.784 ( 1.981 17.102 -2.805) 17.444 18.784 ( -1.981 17.102 2.805) 17.444 22.684 ( -2.483 -15.072 0.024) 15.275 22.684 ( 2.483 -15.072 -0.024) 15.275 26.074 ( -2.430 33.987 -22.214) 40.675 26.074 ( 2.430 33.987 22.214) 40.675 28.695 ( -4.933 -8.259 -2.922) 10.054 28.695 ( 4.933 -8.259 2.922) 10.054 31.659 ( -17.807 -12.497 -9.198) 23.619 31.659 ( 17.807 -12.497 9.198) 23.619 32.753 ( -0.429 -7.450 -0.553) 7.483 32.753 ( 0.429 -7.450 0.553) 7.483 36.488 ( -6.155 1.680 -5.157) 8.203 36.488 ( 6.155 1.680 5.157) 8.203 36.952 ( -18.836 -5.044 -1.028) 19.527 36.952 ( 18.836 -5.044 1.028) 19.527 ======================= Grid point 243 (103/126) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -1.008 8.824 10.363) 13.648 1.118 ( 9.665 11.887 4.435) 15.950 1.197 ( 5.057 2.104 15.742) 16.667 1.230 ( 12.406 4.574 -12.345) 18.089 1.748 ( -5.431 17.508 -10.862) 21.307 1.952 ( -0.118 3.753 0.689) 3.817 1.975 ( -0.372 6.027 -3.738) 7.102 2.089 ( -0.689 -2.613 -6.694) 7.219 2.167 ( 2.788 -0.371 2.289) 3.626 2.350 ( -4.964 5.869 -2.549) 8.098 2.433 ( 2.434 9.833 8.609) 13.294 2.501 ( 1.423 3.660 1.287) 4.133 2.654 ( -6.449 4.304 4.275) 8.855 2.833 ( 2.562 5.549 -3.709) 7.149 2.969 ( -5.062 8.407 -6.819) 11.950 3.069 ( -3.551 5.941 2.649) 7.411 3.179 ( 1.198 8.156 -3.414) 8.922 3.226 ( 1.308 -5.501 -2.866) 6.339 3.362 ( -0.648 1.124 0.670) 1.460 3.499 ( 3.475 -7.338 5.929) 10.054 4.283 ( -3.125 2.936 -5.196) 6.737 4.479 ( 0.928 2.645 4.920) 5.662 4.990 ( -1.388 -1.597 -3.142) 3.788 5.113 ( -0.559 -2.364 4.216) 4.866 6.491 ( 0.216 10.335 -1.161) 10.402 6.562 ( 1.603 11.898 2.158) 12.198 7.765 ( 0.346 5.485 -3.368) 6.445 7.848 ( 1.080 6.666 3.336) 7.532 9.274 ( -1.166 -4.726 -1.537) 5.104 9.368 ( 2.037 -4.953 1.382) 5.531 9.689 ( -2.224 6.760 -1.312) 7.236 9.819 ( 2.210 9.125 -0.402) 9.397 11.669 ( -0.461 -14.003 -0.231) 14.012 11.687 ( 0.041 -13.526 0.300) 13.529 12.280 ( -1.598 -8.299 -2.090) 8.706 12.393 ( 1.376 -11.256 1.255) 11.409 14.150 ( -5.089 14.701 -8.187) 17.579 14.490 ( 1.908 -9.215 8.252) 12.516 14.772 ( -5.967 -16.928 2.619) 18.139 14.886 ( -2.285 -14.683 5.993) 16.023 15.625 ( -0.434 13.130 0.036) 13.137 15.631 ( 0.017 13.350 -0.185) 13.352 16.707 ( -3.077 11.687 -2.382) 12.318 16.856 ( 1.309 9.923 0.159) 10.010 18.754 ( -2.631 17.015 1.929) 17.325 18.780 ( -0.033 16.031 -2.195) 16.181 22.642 ( -1.054 -14.569 0.724) 14.625 22.748 ( 3.404 -16.697 -1.127) 17.078 25.842 ( -5.464 32.002 -12.100) 34.646 26.212 ( -10.819 33.763 24.487) 43.088 28.545 ( -4.851 -6.682 -5.812) 10.097 28.764 ( 1.124 -7.392 0.285) 7.482 31.265 ( -9.899 -0.046 -11.128) 14.894 31.951 ( 6.613 -17.178 -0.915) 18.430 32.757 ( 1.167 -8.450 0.329) 8.536 32.772 ( 1.080 -7.351 0.099) 7.431 36.356 ( -4.207 3.001 -2.908) 5.930 36.594 ( -11.364 1.433 1.059) 11.503 36.694 ( 5.836 -1.516 6.419) 8.807 37.339 ( 16.963 -13.801 -0.013) 21.869 ======================= Grid point 244 (104/126) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 4.643 2.576 10.169) 11.472 1.251 ( 4.673 14.247 -9.164) 17.573 1.404 ( 13.817 6.531 -3.026) 15.580 1.483 ( 9.176 -5.970 14.916) 18.502 1.701 ( 5.707 14.168 -0.392) 15.279 1.884 ( -4.422 0.763 -6.225) 7.674 1.983 ( 0.580 -0.680 -0.517) 1.033 2.029 ( -0.164 3.894 -1.721) 4.260 2.168 ( -6.058 5.984 -4.613) 9.685 2.289 ( 5.300 2.443 -0.644) 5.872 2.432 ( -7.039 2.253 4.299) 8.550 2.471 ( -0.731 3.762 3.101) 4.930 2.664 ( -1.546 2.436 1.959) 3.487 2.832 ( 0.489 5.190 -2.775) 5.905 2.891 ( 0.192 12.378 -2.224) 12.578 3.064 ( -0.374 1.603 3.368) 3.749 3.160 ( -2.478 -3.994 -5.244) 7.042 3.173 ( 0.587 9.174 -1.446) 9.305 3.359 ( -0.393 8.162 0.178) 8.173 3.539 ( -3.457 -6.311 2.003) 7.469 4.205 ( -1.236 3.554 -2.282) 4.401 4.494 ( -2.440 3.785 1.792) 4.847 4.966 ( 0.411 -1.069 -0.507) 1.253 5.107 ( -2.303 -2.089 1.685) 3.536 6.503 ( 1.309 9.761 0.295) 9.853 6.601 ( 1.090 12.120 0.576) 12.182 7.758 ( 1.364 4.961 -2.198) 5.595 7.881 ( -0.296 6.885 1.940) 7.159 9.255 ( 0.121 -5.496 -0.186) 5.500 9.411 ( 1.726 -6.698 -0.827) 6.966 9.661 ( -0.212 6.432 0.620) 6.465 9.830 ( -0.143 9.356 -1.380) 9.458 11.662 ( -0.058 -14.011 0.070) 14.011 11.689 ( 0.005 -13.156 0.200) 13.158 12.258 ( 0.269 -7.474 0.298) 7.485 12.410 ( 0.143 -11.287 -0.455) 11.297 14.040 ( -1.709 15.737 -2.205) 15.982 14.569 ( 1.457 -26.343 2.128) 26.469 14.618 ( -12.493 12.118 4.816) 18.059 14.857 ( -2.899 -22.131 0.888) 22.337 15.618 ( -0.313 13.185 0.269) 13.191 15.633 ( 0.357 13.193 -0.364) 13.203 16.665 ( -0.045 12.674 -0.274) 12.677 16.852 ( -1.199 11.232 -0.902) 11.331 18.731 ( -0.938 15.120 0.841) 15.172 18.757 ( -0.536 14.965 -1.330) 15.034 22.655 ( 1.015 -15.118 1.679) 15.244 22.783 ( 1.416 -17.715 -1.725) 17.855 25.686 ( -3.303 29.155 -5.088) 29.780 26.060 ( -18.087 33.643 11.608) 39.921 28.482 ( 1.311 -5.306 -0.997) 5.556 28.757 ( -1.181 -6.434 -1.140) 6.640 31.153 ( 2.496 4.133 -1.217) 4.979 31.917 ( -4.732 -11.929 -7.181) 14.705 32.785 ( 0.724 -8.657 0.817) 8.726 32.796 ( 1.359 -8.271 -0.125) 8.383 36.278 ( -3.044 3.311 0.938) 4.594 36.419 ( -4.722 1.870 -3.445) 6.137 36.922 ( 8.714 -4.376 9.668) 13.732 37.547 ( 6.275 -16.734 -4.038) 18.322 ======================= Grid point 245 (105/126) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 8.081 -0.164 5.953) 10.039 1.304 ( 7.827 10.800 -4.810) 14.179 1.584 ( 1.618 0.378 -3.066) 3.487 1.690 ( 6.009 -0.055 0.692) 6.049 1.731 ( -5.836 2.310 -1.732) 6.511 1.843 ( 4.223 7.384 5.340) 10.044 1.990 ( 1.032 -0.199 0.504) 1.165 2.016 ( -0.651 4.038 -3.951) 5.687 2.105 ( 4.142 3.062 1.986) 5.520 2.329 ( -3.748 -0.360 -0.668) 3.824 2.395 ( 2.139 6.203 4.758) 8.105 2.533 ( 4.750 1.084 2.656) 5.549 2.628 ( -2.082 -1.065 1.781) 2.940 2.813 ( -5.932 5.525 -4.908) 9.477 2.821 ( 1.055 6.484 -3.573) 7.478 3.000 ( -8.000 1.804 2.207) 8.493 3.150 ( 4.564 0.486 -1.478) 4.822 3.225 ( 3.241 11.957 1.675) 12.501 3.340 ( -1.153 13.042 -1.489) 13.177 3.416 ( -8.039 -4.381 -1.673) 9.306 4.210 ( 2.126 4.246 1.472) 4.972 4.421 ( -4.980 4.808 -1.502) 7.083 4.989 ( 1.361 -1.020 1.172) 2.065 5.069 ( -1.978 -1.926 -0.339) 2.782 6.541 ( 1.664 9.831 1.589) 10.097 6.610 ( 0.087 11.559 -1.251) 11.627 7.780 ( 2.189 5.139 -0.769) 5.638 7.868 ( -1.929 6.705 0.453) 6.992 9.279 ( 1.661 -6.184 1.834) 6.661 9.403 ( -0.689 -7.196 -3.533) 8.046 9.690 ( 1.430 6.618 2.646) 7.270 9.798 ( -1.552 8.606 -1.952) 8.960 11.669 ( 0.438 -14.091 0.525) 14.108 11.689 ( -0.097 -13.501 -0.131) 13.502 12.290 ( 1.548 -8.112 2.465) 8.619 12.392 ( -0.926 -10.578 -1.997) 10.804 14.047 ( 2.353 16.287 2.189) 16.601 14.368 ( -10.878 15.060 -3.832) 18.969 14.646 ( 1.709 -22.751 5.238) 23.408 14.800 ( -2.480 -26.619 -2.226) 26.827 15.619 ( 0.031 13.257 0.719) 13.276 15.634 ( 0.203 13.164 -0.714) 13.185 16.690 ( 1.505 12.719 1.960) 12.956 16.806 ( -2.167 12.193 -1.927) 12.533 18.728 ( -0.094 13.915 0.596) 13.928 18.742 ( -0.102 13.967 -0.949) 14.000 22.697 ( 1.450 -15.857 2.333) 16.093 22.776 ( -0.267 -17.451 -2.185) 17.589 25.629 ( 0.201 27.847 -1.576) 27.893 25.816 ( -11.888 31.469 2.696) 33.747 28.542 ( 2.989 -5.728 3.328) 7.268 28.707 ( -2.305 -6.044 -2.597) 6.971 31.275 ( 6.253 2.211 7.133) 9.740 31.715 ( -7.749 -5.890 -10.057) 13.996 32.801 ( 0.585 -8.162 0.132) 8.184 32.812 ( 0.164 -8.655 0.311) 8.662 36.255 ( -1.707 2.796 4.422) 5.503 36.332 ( -0.761 1.748 -6.157) 6.445 37.169 ( 7.593 -7.676 11.287) 15.619 37.535 ( -1.096 -14.381 -8.767) 16.879 ======================= Grid point 246 (106/126) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -5.426 2.726 -0.418) 6.086 1.436 ( 5.426 2.726 0.418) 6.086 1.543 ( -1.738 1.097 -8.270) 8.522 1.543 ( 1.738 1.097 8.270) 8.522 1.851 ( -2.570 6.156 -2.128) 7.002 1.851 ( 2.570 6.156 2.128) 7.002 2.002 ( -0.420 2.795 -0.921) 2.972 2.002 ( 0.420 2.795 0.921) 2.972 2.229 ( -1.511 -1.938 -5.531) 6.052 2.229 ( 1.511 -1.938 5.531) 6.052 2.537 ( -6.997 1.676 -3.031) 7.807 2.537 ( 6.997 1.676 3.031) 7.807 2.671 ( 1.197 0.323 -5.164) 5.311 2.671 ( -1.197 0.323 5.164) 5.311 2.856 ( 4.873 6.768 -5.471) 9.974 2.856 ( -4.873 6.768 5.471) 9.974 3.252 ( -6.285 2.710 -0.473) 6.861 3.252 ( 6.285 2.710 0.473) 6.861 3.299 ( -1.702 9.838 -2.438) 10.278 3.299 ( 1.702 9.838 2.438) 10.278 4.301 ( -4.364 4.979 -3.387) 7.437 4.301 ( 4.364 4.979 3.387) 7.437 5.028 ( -1.321 -1.518 -1.493) 2.506 5.028 ( 1.321 -1.518 1.493) 2.506 6.585 ( -1.000 10.563 -2.171) 10.830 6.585 ( 1.000 10.563 2.171) 10.830 7.824 ( -1.561 5.934 -0.633) 6.169 7.824 ( 1.561 5.934 0.633) 6.169 9.341 ( -2.133 -6.730 -3.524) 7.891 9.341 ( 2.133 -6.730 3.524) 7.891 9.745 ( -1.301 7.420 -3.117) 8.153 9.745 ( 1.301 7.420 3.117) 8.153 11.682 ( -0.276 -13.964 -0.592) 13.979 11.682 ( 0.276 -13.964 0.592) 13.979 12.346 ( -1.569 -9.390 -2.985) 9.978 12.346 ( 1.569 -9.390 2.985) 9.978 14.162 ( -6.240 17.159 -4.754) 18.867 14.162 ( 6.240 17.159 4.754) 18.867 14.726 ( -2.211 -26.071 -4.237) 26.505 14.726 ( 2.211 -26.071 4.237) 26.505 15.628 ( -0.092 13.240 -0.896) 13.270 15.628 ( 0.092 13.240 0.896) 13.270 16.745 ( -1.413 12.591 -3.187) 13.064 16.745 ( 1.413 12.591 3.187) 13.064 18.734 ( 0.305 13.625 -1.353) 13.696 18.734 ( -0.305 13.625 1.353) 13.696 22.743 ( -0.614 -16.659 -2.985) 16.935 22.743 ( 0.614 -16.659 2.985) 16.935 25.668 ( -4.896 28.769 0.519) 29.187 25.668 ( 4.896 28.769 -0.519) 29.187 28.630 ( -2.744 -5.964 -3.835) 7.603 28.630 ( 2.744 -5.964 3.835) 7.603 31.481 ( -6.611 -1.242 -11.024) 12.914 31.481 ( 6.611 -1.242 11.024) 12.914 32.810 ( 0.433 -8.325 -0.951) 8.391 32.810 ( -0.433 -8.325 0.951) 8.391 36.279 ( 0.659 2.115 -6.340) 6.716 36.279 ( -0.659 2.115 6.340) 6.716 37.388 ( -2.608 -10.984 -13.975) 17.965 37.388 ( 2.608 -10.984 13.975) 17.965 ======================= Grid point 251 (107/126) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 4.841 7.241 -6.666) 10.968 1.160 ( -4.841 7.241 6.666) 10.968 1.350 ( -6.271 17.099 -0.033) 18.213 1.350 ( 6.271 17.099 0.033) 18.213 1.947 ( 2.912 -1.050 -3.829) 4.924 1.947 ( -2.912 -1.050 3.829) 4.924 2.111 ( -0.689 3.322 -1.943) 3.910 2.111 ( 0.689 3.322 1.943) 3.910 2.423 ( -5.915 6.287 -5.162) 10.058 2.423 ( 5.915 6.287 5.162) 10.058 2.547 ( 2.514 4.269 -2.893) 5.737 2.547 ( -2.514 4.269 2.893) 5.737 2.821 ( -6.410 -0.188 -2.510) 6.887 2.821 ( 6.410 -0.188 2.510) 6.887 3.031 ( -2.831 -0.960 -0.907) 3.124 3.031 ( 2.831 -0.960 0.907) 3.124 3.203 ( -5.207 -1.652 -0.727) 5.511 3.203 ( 5.207 -1.652 0.727) 5.511 3.549 ( -0.888 10.957 -9.824) 14.743 3.549 ( 0.888 10.957 9.824) 14.743 4.463 ( -2.305 4.376 -6.407) 8.094 4.463 ( 2.305 4.376 6.407) 8.094 4.999 ( -1.329 -3.800 -4.043) 5.705 4.999 ( 1.329 -3.800 4.043) 5.705 6.876 ( -1.353 26.180 -2.081) 26.298 6.876 ( 1.353 26.180 2.081) 26.298 7.940 ( -0.875 8.136 -4.572) 9.374 7.940 ( 0.875 8.136 4.572) 9.374 9.218 ( -1.234 -5.731 -2.697) 6.452 9.218 ( 1.234 -5.731 2.697) 6.452 9.924 ( -3.164 8.790 -3.002) 9.812 9.924 ( 3.164 8.790 3.002) 9.812 11.380 ( -0.413 -16.172 -1.037) 16.210 11.380 ( 0.413 -16.172 1.037) 16.210 12.039 ( -1.078 -21.788 -1.212) 21.848 12.039 ( 1.078 -21.788 1.212) 21.848 14.150 ( -2.757 -16.331 -3.394) 16.906 14.150 ( 2.757 -16.331 3.394) 16.906 14.677 ( -5.561 -3.329 -14.061) 15.483 14.677 ( 5.561 -3.329 14.061) 15.483 15.908 ( 0.070 14.663 -0.377) 14.668 15.908 ( -0.070 14.663 0.377) 14.668 16.930 ( -1.785 3.794 -2.249) 4.757 16.930 ( 1.785 3.794 2.249) 4.757 19.196 ( 1.471 24.235 -3.581) 24.542 19.196 ( -1.471 24.235 3.581) 24.542 22.328 ( -1.309 -20.935 -0.520) 20.982 22.328 ( 1.309 -20.935 0.520) 20.982 26.654 ( -1.957 25.153 -19.269) 31.746 26.654 ( 1.957 25.153 19.269) 31.746 28.503 ( -3.891 -11.053 -4.188) 12.444 28.503 ( 3.891 -11.053 4.188) 12.444 31.506 ( -8.349 -3.018 -7.327) 11.511 31.506 ( 8.349 -3.018 7.327) 11.511 32.580 ( -0.595 -10.058 -0.720) 10.101 32.580 ( 0.595 -10.058 0.720) 10.101 36.522 ( -4.833 1.740 -3.675) 6.316 36.522 ( 4.833 1.740 3.675) 6.316 36.856 ( -12.497 -4.663 0.071) 13.339 36.856 ( 12.497 -4.663 -0.071) 13.339 ======================= Grid point 253 (108/126) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.367 5.822 8.167) 10.580 1.212 ( 0.913 7.317 4.689) 8.738 1.318 ( 6.273 7.009 -3.656) 10.091 1.509 ( 6.496 17.651 1.326) 18.855 1.897 ( -2.957 0.285 -0.292) 2.985 1.949 ( -0.421 -2.688 -2.974) 4.031 2.093 ( 0.146 4.689 0.473) 4.715 2.142 ( -0.638 3.947 2.488) 4.709 2.277 ( -0.523 11.345 -8.273) 14.051 2.451 ( -3.652 4.117 -1.282) 5.651 2.540 ( -0.667 1.304 -0.463) 1.536 2.585 ( -0.623 4.709 -1.057) 4.866 2.665 ( -5.303 -3.744 0.180) 6.494 2.921 ( 2.630 0.314 0.365) 2.674 2.961 ( -3.178 1.863 0.591) 3.730 3.078 ( 0.910 -1.078 -2.264) 2.667 3.136 ( -1.092 0.880 3.594) 3.858 3.321 ( 5.190 -2.802 -0.880) 5.964 3.464 ( -0.177 11.454 -6.415) 13.129 3.638 ( -0.283 10.684 9.256) 14.139 4.360 ( -2.654 4.526 -5.367) 7.505 4.551 ( 1.602 4.291 4.415) 6.362 4.950 ( -0.381 -2.544 -2.810) 3.810 5.050 ( 0.311 -3.753 3.494) 5.137 6.846 ( -0.341 26.346 -1.059) 26.370 6.924 ( 1.666 25.567 1.876) 25.690 7.893 ( -0.155 7.533 -3.983) 8.523 7.994 ( 0.829 8.165 3.832) 9.058 9.169 ( -1.404 -5.877 -2.232) 6.441 9.256 ( 0.611 -6.267 1.928) 6.585 9.841 ( -2.362 8.613 -2.110) 9.177 10.001 ( 2.368 9.184 0.766) 9.515 11.365 ( -0.373 -16.470 -0.680) 16.488 11.396 ( 0.310 -15.715 0.841) 15.740 12.011 ( -0.728 -20.429 -0.853) 20.460 12.067 ( 0.876 -22.958 0.599) 22.982 14.079 ( -1.859 -17.805 -2.228) 18.040 14.232 ( 2.593 -12.450 3.454) 13.178 14.456 ( -5.867 -4.188 -9.917) 12.260 14.849 ( -0.392 -3.750 12.282) 12.848 15.902 ( -0.290 14.734 -0.079) 14.737 15.911 ( 0.140 14.828 0.012) 14.828 16.873 ( -1.668 5.275 -1.683) 5.783 16.980 ( 1.498 3.087 0.661) 3.495 19.175 ( -1.885 24.150 0.144) 24.224 19.179 ( -1.902 24.659 0.245) 24.733 22.299 ( -0.776 -20.193 0.101) 20.208 22.366 ( 1.869 -22.136 -0.644) 22.224 26.437 ( -5.515 27.801 -12.549) 30.997 26.766 ( -8.494 23.362 19.249) 31.440 28.388 ( -2.872 -9.359 -4.993) 10.990 28.582 ( 1.511 -11.020 1.719) 11.255 31.309 ( -4.248 4.579 -6.307) 8.876 31.693 ( 5.236 -8.308 1.914) 10.005 32.572 ( 0.291 -10.398 -0.174) 10.403 32.600 ( 0.946 -10.042 0.380) 10.093 36.417 ( -3.578 3.181 -2.277) 5.302 36.613 ( -9.815 0.517 0.736) 9.856 36.668 ( 5.357 -1.187 4.157) 6.884 37.101 ( 11.522 -10.563 -1.443) 15.698 ======================= Grid point 254 (109/126) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.829 3.147 5.352) 6.263 1.361 ( 7.348 -1.937 6.073) 9.728 1.421 ( 6.494 1.955 -0.807) 6.830 1.601 ( 3.566 13.819 -0.555) 14.283 1.828 ( -1.916 -1.384 -4.317) 4.922 1.914 ( -2.359 -0.761 2.537) 3.547 2.070 ( -1.721 6.361 -2.483) 7.042 2.160 ( 1.155 9.393 1.041) 9.521 2.270 ( 1.739 6.093 -5.179) 8.184 2.368 ( -1.268 5.600 -1.268) 5.880 2.489 ( -4.094 1.805 -0.527) 4.505 2.508 ( -3.181 1.341 3.726) 5.079 2.607 ( -3.717 -6.368 -0.849) 7.422 2.920 ( -2.434 -0.772 2.153) 3.340 2.950 ( 0.993 4.348 -2.245) 4.993 3.074 ( 0.590 0.731 -1.786) 2.018 3.150 ( -0.359 3.153 1.014) 3.332 3.365 ( 1.692 -0.560 -3.256) 3.712 3.454 ( 1.574 9.840 -0.476) 9.977 3.679 ( -1.930 11.237 5.210) 12.535 4.291 ( -0.601 5.014 -2.183) 5.502 4.583 ( -0.941 5.007 1.213) 5.237 4.944 ( 1.170 -1.399 -0.769) 1.979 5.062 ( -1.171 -2.207 1.594) 2.964 6.847 ( 0.744 25.950 0.478) 25.965 6.960 ( 0.957 25.031 0.254) 25.051 7.874 ( 1.011 6.853 -2.291) 7.296 8.024 ( -0.484 7.741 1.963) 8.000 9.137 ( -0.330 -6.437 -0.874) 6.504 9.270 ( -0.206 -7.507 0.267) 7.514 9.810 ( -0.083 8.628 0.511) 8.643 10.018 ( -0.222 9.462 -1.514) 9.585 11.358 ( 0.020 -16.514 -0.082) 16.514 11.403 ( -0.050 -15.508 0.229) 15.510 12.003 ( 0.220 -19.900 0.292) 19.903 12.080 ( 0.316 -23.318 -0.310) 23.322 14.052 ( 0.286 -17.601 -0.106) 17.603 14.287 ( -1.131 3.225 -1.302) 3.658 14.324 ( -0.142 -18.568 -0.387) 18.573 14.840 ( -7.472 -1.087 4.583) 8.833 15.898 ( -0.151 14.900 0.214) 14.902 15.914 ( 0.302 15.034 -0.246) 15.039 16.850 ( 0.111 6.090 -0.039) 6.091 16.993 ( -0.216 3.522 -0.525) 3.568 19.137 ( -2.759 24.917 2.175) 25.163 19.142 ( -0.915 23.954 -1.900) 24.046 22.302 ( 0.568 -20.487 0.961) 20.517 22.384 ( 0.782 -22.909 -1.254) 22.957 26.267 ( -3.732 28.938 -6.033) 29.794 26.643 ( -15.509 25.831 10.116) 31.782 28.347 ( 1.303 -8.437 -1.053) 8.602 28.593 ( -0.784 -10.247 -0.317) 10.282 31.262 ( 2.044 7.028 -0.721) 7.354 31.723 ( -1.189 -6.904 -3.100) 7.661 32.586 ( 0.791 -10.996 0.739) 11.049 32.619 ( 0.824 -10.147 -0.222) 10.183 36.347 ( -2.845 3.702 0.429) 4.689 36.459 ( -5.008 2.064 -2.201) 5.847 36.835 ( 6.771 -4.302 5.894) 9.954 37.247 ( 5.434 -13.672 -3.178) 15.051 ======================= Grid point 255 (110/126) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 4.671 -1.893 3.680) 6.240 1.438 ( 2.128 -2.242 -4.644) 5.579 1.609 ( 4.325 -2.509 7.542) 9.049 1.649 ( 2.148 9.127 -3.511) 10.012 1.800 ( 4.700 1.215 -2.758) 5.583 1.912 ( -0.308 -0.962 5.160) 5.258 2.036 ( 0.191 3.626 -1.332) 3.868 2.126 ( -2.801 8.523 -4.291) 9.945 2.241 ( -1.162 8.263 -1.621) 8.501 2.323 ( -5.023 -0.391 0.735) 5.092 2.468 ( 1.545 -3.564 0.326) 3.898 2.496 ( -1.040 -2.893 -2.352) 3.871 2.580 ( 0.164 2.147 10.902) 11.113 2.869 ( -4.407 0.993 -1.255) 4.688 2.932 ( 1.075 5.659 -4.289) 7.182 3.032 ( -4.277 2.327 0.264) 4.877 3.177 ( 3.946 3.133 -1.356) 5.218 3.339 ( -1.972 -0.142 -2.726) 3.368 3.500 ( 2.439 10.823 2.472) 11.366 3.653 ( -2.646 11.679 -0.296) 11.979 4.315 ( 2.921 6.354 2.279) 7.355 4.532 ( -3.744 6.322 -2.127) 7.649 4.973 ( 1.683 -0.715 0.628) 1.934 5.041 ( -1.434 -0.713 -0.023) 1.602 6.879 ( 1.416 25.312 1.936) 25.425 6.961 ( -0.272 24.774 -1.717) 24.835 7.896 ( 2.292 6.572 -0.284) 6.965 8.005 ( -2.196 7.280 -0.004) 7.604 9.147 ( 1.285 -7.205 0.934) 7.378 9.248 ( -1.481 -8.273 -1.603) 8.556 9.841 ( 1.488 8.654 3.033) 9.290 9.976 ( -1.848 9.262 -3.124) 9.948 11.365 ( 0.486 -16.434 0.529) 16.450 11.398 ( -0.435 -15.757 -0.441) 15.769 12.022 ( 0.863 -20.532 1.351) 20.594 12.074 ( -0.286 -22.837 -1.144) 22.867 14.088 ( 2.338 -17.058 2.005) 17.334 14.221 ( -1.844 -9.114 -2.936) 9.751 14.384 ( 2.595 -5.355 4.106) 7.230 14.678 ( -9.048 2.418 -2.394) 9.666 15.902 ( 0.127 15.015 0.638) 15.029 15.916 ( 0.183 15.069 -0.611) 15.083 16.872 ( 1.314 5.873 1.636) 6.237 16.967 ( -1.438 4.445 -1.583) 4.933 19.113 ( -1.328 24.487 1.424) 24.564 19.117 ( -0.299 23.739 -1.312) 23.777 22.329 ( 0.874 -21.376 1.563) 21.451 22.378 ( -0.107 -22.928 -1.541) 22.980 26.201 ( 0.395 29.308 -1.967) 29.377 26.415 ( -12.287 28.684 2.764) 31.327 28.399 ( 2.864 -8.884 2.457) 9.652 28.553 ( -2.205 -9.671 -2.108) 10.141 31.346 ( 4.467 5.219 4.220) 8.063 31.626 ( -4.272 -2.523 -5.873) 7.689 32.607 ( 0.511 -11.013 1.071) 11.076 32.626 ( 0.355 -10.387 -0.664) 10.414 36.317 ( -1.837 3.469 3.268) 5.108 36.374 ( -1.301 2.475 -4.413) 5.224 37.014 ( 6.049 -7.830 6.755) 11.981 37.260 ( -0.141 -13.284 -5.315) 14.309 ======================= Grid point 256 (111/126) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.729 -5.121 -2.814) 7.517 1.377 ( 4.729 -5.121 2.814) 7.517 1.652 ( 4.756 6.560 -7.476) 11.024 1.652 ( -4.756 6.560 7.476) 11.024 1.921 ( 3.985 -0.049 -2.881) 4.917 1.921 ( -3.985 -0.049 2.881) 4.917 2.051 ( 1.606 3.386 -6.502) 7.505 2.051 ( -1.606 3.386 6.502) 7.505 2.235 ( -3.497 2.317 -0.166) 4.199 2.235 ( 3.497 2.317 0.166) 4.199 2.479 ( 1.176 -5.794 -3.387) 6.813 2.479 ( -1.176 -5.794 3.387) 6.813 2.728 ( -4.244 5.310 -10.157) 12.222 2.728 ( 4.244 5.310 10.157) 12.222 2.954 ( 2.836 4.059 -2.092) 5.375 2.954 ( -2.836 4.059 2.092) 5.375 3.259 ( -3.107 1.746 -1.492) 3.864 3.259 ( 3.107 1.746 1.492) 3.864 3.581 ( -2.968 11.287 -3.156) 12.090 3.581 ( 2.968 11.287 3.156) 12.090 4.421 ( -4.457 7.024 -4.015) 9.237 4.421 ( 4.457 7.024 4.015) 9.237 5.010 ( -1.112 -0.317 -1.063) 1.571 5.010 ( 1.112 -0.317 1.063) 1.571 6.926 ( -1.248 24.844 -2.594) 25.010 6.926 ( 1.248 24.844 2.594) 25.010 7.950 ( -2.402 6.816 -1.074) 7.306 7.950 ( 2.402 6.816 1.074) 7.306 9.195 ( -2.126 -7.970 -2.072) 8.504 9.195 ( 2.126 -7.970 2.072) 8.504 9.907 ( -1.725 8.845 -4.186) 9.936 9.907 ( 1.725 8.845 4.186) 9.936 11.382 ( -0.601 -16.179 -0.776) 16.209 11.382 ( 0.601 -16.179 0.776) 16.209 12.052 ( -0.745 -21.753 -1.645) 21.828 12.052 ( 0.745 -21.753 1.645) 21.828 14.158 ( -2.267 -15.356 -2.999) 15.810 14.158 ( 2.267 -15.356 2.999) 15.810 14.499 ( -5.753 1.791 -4.848) 7.733 14.499 ( 5.753 1.791 4.848) 7.733 15.911 ( -0.106 15.059 -0.807) 15.081 15.911 ( 0.106 15.059 0.807) 15.081 16.919 ( -1.213 5.268 -2.632) 6.012 16.919 ( 1.213 5.268 2.632) 6.012 19.108 ( 0.505 23.925 -1.409) 23.972 19.108 ( -0.505 23.925 1.409) 23.972 22.357 ( -0.262 -22.312 -2.059) 22.408 22.357 ( 0.262 -22.312 2.059) 22.408 26.251 ( -5.932 29.459 0.626) 30.057 26.251 ( 5.932 29.459 -0.626) 30.057 28.480 ( -2.738 -9.314 -3.279) 10.247 28.480 ( 2.738 -9.314 3.279) 10.247 31.483 ( -4.063 1.793 -7.108) 8.381 31.483 ( 4.063 1.793 7.108) 8.381 32.622 ( -0.061 -10.694 -1.015) 10.742 32.622 ( 0.061 -10.694 1.015) 10.742 36.329 ( 0.620 2.909 -4.855) 5.694 36.329 ( -0.620 2.909 4.855) 5.694 37.168 ( -0.316 -10.986 -10.717) 15.351 37.168 ( 0.316 -10.986 10.717) 15.351 ======================= Grid point 261 (112/126) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.031 8.811 -3.680) 9.604 1.320 ( 1.031 8.811 3.680) 9.604 1.625 ( -6.107 7.705 -4.240) 10.707 1.625 ( 6.107 7.705 4.240) 10.707 1.943 ( 3.310 3.476 -3.373) 5.867 1.943 ( -3.310 3.476 3.373) 5.867 2.194 ( 2.951 3.073 -4.301) 6.054 2.194 ( -2.951 3.073 4.301) 6.054 2.452 ( -0.627 -1.247 -1.616) 2.135 2.452 ( 0.627 -1.247 1.616) 2.135 2.563 ( 1.094 -0.146 -1.108) 1.564 2.563 ( -1.094 -0.146 1.108) 1.564 2.858 ( -1.150 3.959 -6.990) 8.115 2.858 ( 1.150 3.959 6.990) 8.115 3.102 ( -0.076 5.671 -4.539) 7.264 3.102 ( 0.076 5.671 4.539) 7.264 3.194 ( -1.858 0.488 -2.282) 2.983 3.194 ( 1.858 0.488 2.282) 2.983 3.645 ( -1.832 -0.888 -8.751) 8.985 3.645 ( 1.832 -0.888 8.751) 8.985 4.548 ( -2.488 4.158 -5.880) 7.619 4.548 ( 2.488 4.158 5.880) 7.619 4.917 ( -1.116 -4.510 -3.414) 5.765 4.917 ( 1.116 -4.510 3.414) 5.765 7.526 ( -0.907 38.546 -1.252) 38.577 7.526 ( 0.907 38.546 1.252) 38.577 8.113 ( -0.907 9.371 -5.118) 10.716 8.113 ( 0.907 9.371 5.118) 10.716 9.105 ( -0.789 -5.008 -3.382) 6.094 9.105 ( 0.789 -5.008 3.382) 6.094 10.099 ( -2.938 9.030 -3.362) 10.074 10.099 ( 2.938 9.030 3.362) 10.074 11.062 ( -0.714 -15.985 -1.446) 16.066 11.062 ( 0.714 -15.985 1.446) 16.066 11.464 ( -0.457 -36.378 -0.446) 36.384 11.464 ( 0.457 -36.378 0.446) 36.384 13.933 ( -3.267 -4.937 -4.435) 7.397 13.933 ( 3.267 -4.937 4.435) 7.397 14.557 ( -4.956 -8.726 -9.648) 13.921 14.557 ( 4.956 -8.726 9.648) 13.921 16.197 ( -0.197 14.574 -0.282) 14.578 16.197 ( 0.197 14.574 0.282) 14.578 16.951 ( -1.120 -1.628 -1.651) 2.575 16.951 ( 1.120 -1.628 1.651) 2.575 19.708 ( 0.812 27.435 -2.570) 27.567 19.708 ( -0.812 27.435 2.570) 27.567 21.874 ( -0.392 -25.014 -0.393) 25.020 21.874 ( 0.392 -25.014 0.393) 25.020 27.079 ( -1.439 18.734 -13.190) 22.956 27.079 ( 1.439 18.734 13.190) 22.956 28.268 ( -2.768 -12.752 -4.373) 13.762 28.268 ( 2.768 -12.752 4.373) 13.762 31.528 ( -3.549 4.750 -4.216) 7.276 31.528 ( 3.549 4.750 4.216) 7.276 32.364 ( -0.608 -11.718 -0.783) 11.760 32.364 ( 0.608 -11.718 0.783) 11.760 36.555 ( -3.505 1.627 -2.202) 4.448 36.555 ( 3.505 1.627 2.202) 4.448 36.772 ( -8.217 -3.835 0.404) 9.077 36.772 ( 8.217 -3.835 -0.404) 9.077 ======================= Grid point 263 (113/126) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.702 7.332 -0.551) 7.547 1.375 ( 0.129 8.331 -1.583) 8.481 1.477 ( -3.203 6.857 0.010) 7.568 1.752 ( 2.946 3.109 1.440) 4.519 1.902 ( -3.798 2.759 4.879) 6.771 1.951 ( -1.420 5.660 -1.436) 6.010 2.164 ( -2.238 1.720 0.310) 2.840 2.200 ( 0.965 1.471 -2.087) 2.730 2.428 ( 0.713 1.431 -1.088) 1.934 2.474 ( 0.310 -0.857 -1.264) 1.558 2.527 ( -2.744 1.961 1.315) 3.620 2.560 ( -2.022 -2.064 0.598) 2.951 2.753 ( -3.138 8.661 -7.372) 11.798 2.903 ( -1.502 0.667 4.982) 5.246 3.065 ( -1.741 4.692 -0.232) 5.010 3.107 ( 0.507 3.468 -1.558) 3.836 3.181 ( 1.409 3.232 3.511) 4.976 3.303 ( 5.291 0.507 -1.054) 5.419 3.558 ( -0.400 -1.231 -5.633) 5.780 3.747 ( 0.760 -0.036 8.172) 8.207 4.447 ( -2.352 4.409 -5.232) 7.235 4.636 ( 2.181 4.299 3.576) 6.002 4.886 ( 0.684 -4.068 -2.594) 4.873 4.975 ( 1.852 -3.831 2.890) 5.144 7.504 ( -0.455 39.077 -0.627) 39.084 7.556 ( 1.024 37.487 1.065) 37.517 8.057 ( -0.627 9.007 -4.405) 10.046 8.166 ( 0.222 9.254 4.308) 10.210 9.055 ( -1.417 -5.009 -2.917) 5.967 9.135 ( -0.496 -5.403 2.633) 6.031 10.022 ( -2.033 9.679 -2.263) 10.146 10.175 ( 2.171 8.580 1.510) 8.979 11.040 ( -0.431 -16.323 -0.994) 16.359 11.086 ( 0.552 -15.553 1.173) 15.607 11.453 ( -0.260 -35.959 -0.332) 35.962 11.476 ( 0.413 -36.868 0.217) 36.871 13.848 ( -2.100 -5.151 -2.784) 6.220 14.033 ( 2.957 -4.922 4.317) 7.184 14.381 ( -4.981 -6.096 -7.785) 11.071 14.696 ( 1.427 -10.745 7.282) 13.058 16.191 ( -0.179 14.450 -0.149) 14.452 16.204 ( 0.350 14.832 0.109) 14.836 16.916 ( -0.862 -0.751 -1.064) 1.562 16.987 ( 1.188 -2.280 0.729) 2.672 19.689 ( -0.749 27.930 -1.528) 27.981 19.700 ( -1.970 27.669 1.847) 27.800 21.861 ( -0.372 -24.197 0.015) 24.200 21.890 ( 0.726 -26.055 -0.332) 26.067 26.924 ( -3.964 21.995 -9.518) 24.291 27.159 ( -5.002 17.497 12.546) 22.104 28.181 ( -1.762 -11.639 -4.271) 12.522 28.340 ( 1.394 -13.383 2.518) 13.689 31.440 ( -1.506 8.602 -3.097) 9.266 31.628 ( 3.239 1.290 1.657) 3.860 32.353 ( 0.053 -11.763 -0.427) 11.771 32.385 ( 0.855 -11.752 0.501) 11.793 36.478 ( -3.004 3.026 -1.302) 4.459 36.617 ( -7.276 -0.201 -0.108) 7.280 36.650 ( 4.062 -0.495 2.828) 4.974 36.921 ( 7.076 -7.895 -1.125) 10.661 ======================= Grid point 264 (114/126) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -1.190 4.767 1.019) 5.018 1.365 ( 2.033 2.277 1.664) 3.476 1.476 ( 0.747 3.203 -0.607) 3.345 1.771 ( -0.879 -1.678 -0.415) 1.939 1.868 ( -3.061 9.580 1.087) 10.116 1.915 ( -1.319 1.900 3.940) 4.569 2.092 ( -2.104 -2.501 -4.950) 5.932 2.237 ( 1.782 0.015 4.570) 4.905 2.393 ( -2.951 -4.095 -3.923) 6.393 2.441 ( -2.825 2.112 -3.986) 5.322 2.480 ( -2.412 5.440 -0.613) 5.983 2.556 ( -1.005 3.717 4.906) 6.237 2.631 ( -2.821 9.042 -3.030) 9.945 2.904 ( -1.798 0.461 3.449) 3.917 3.036 ( -1.355 2.769 0.660) 3.152 3.136 ( 3.414 5.695 -3.451) 7.483 3.221 ( 0.263 3.627 1.532) 3.946 3.359 ( 2.138 0.452 -2.355) 3.213 3.547 ( 1.750 -0.979 -0.804) 2.160 3.789 ( -1.783 -0.472 3.670) 4.108 4.398 ( 0.821 6.063 -1.509) 6.302 4.682 ( 0.517 4.988 0.662) 5.058 4.899 ( 2.070 -3.386 -0.883) 4.066 5.022 ( 0.979 -2.152 1.260) 2.679 7.501 ( 0.209 38.856 0.389) 38.859 7.577 ( 0.626 36.659 -0.029) 36.664 8.025 ( 0.447 8.413 -2.485) 8.783 8.184 ( -1.288 8.615 2.239) 8.994 9.014 ( -0.666 -5.343 -1.522) 5.595 9.129 ( -1.676 -6.128 1.227) 6.471 9.994 ( 0.030 9.954 0.328) 9.960 10.196 ( -0.161 8.680 -1.195) 8.763 11.031 ( 0.097 -16.392 -0.150) 16.393 11.097 ( -0.058 -15.350 0.202) 15.352 11.451 ( 0.136 -35.944 0.136) 35.945 11.482 ( 0.226 -37.151 -0.172) 37.153 13.817 ( 0.164 -5.378 0.091) 5.381 14.091 ( -0.020 -5.185 -0.186) 5.189 14.278 ( -0.770 -4.503 -0.528) 4.598 14.716 ( -3.268 -10.164 1.805) 10.828 16.189 ( 0.022 14.522 0.161) 14.523 16.211 ( 0.363 14.971 -0.214) 14.976 16.905 ( 0.192 -0.320 0.075) 0.381 17.003 ( 0.211 -2.303 -0.272) 2.329 19.662 ( -0.874 28.612 -1.017) 28.643 19.671 ( -2.196 28.375 1.343) 28.491 21.861 ( 0.203 -24.240 0.393) 24.244 21.894 ( 0.204 -26.604 -0.629) 26.612 26.795 ( -2.711 24.677 -4.962) 25.317 27.089 ( -10.103 20.128 6.876) 23.547 28.152 ( 1.145 -11.435 -1.152) 11.550 28.360 ( -0.547 -13.326 0.394) 13.343 31.428 ( 1.544 9.753 -0.323) 9.880 31.665 ( 0.362 0.999 -1.182) 1.589 32.360 ( 0.667 -11.941 0.365) 11.965 32.402 ( 0.658 -11.779 -0.076) 11.798 36.420 ( -2.645 3.642 0.448) 4.523 36.499 ( -4.171 2.011 -1.604) 4.901 36.758 ( 4.485 -3.438 3.314) 6.551 37.012 ( 3.527 -10.376 -1.889) 11.121 ======================= Grid point 265 (115/126) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.581 1.335 0.799) 2.218 1.382 ( -2.440 -1.351 -1.230) 3.049 1.554 ( 6.207 -3.022 4.093) 8.025 1.755 ( -0.414 -2.041 -0.767) 2.219 1.828 ( -0.293 2.181 -0.157) 2.207 1.927 ( -1.135 1.113 2.394) 2.874 2.063 ( 0.958 1.912 2.234) 3.093 2.232 ( -5.254 -3.282 -2.525) 6.690 2.332 ( -4.297 0.898 -3.236) 5.453 2.372 ( 3.142 2.479 2.797) 4.883 2.405 ( -4.332 7.089 -4.600) 9.496 2.481 ( -2.712 3.812 -1.689) 4.974 2.695 ( 2.947 6.582 7.937) 10.724 2.890 ( -1.976 1.422 1.382) 2.799 3.019 ( -0.586 2.896 0.092) 2.956 3.124 ( -1.451 6.604 -5.754) 8.878 3.247 ( 2.785 3.385 -0.133) 4.385 3.356 ( -0.711 1.528 -1.551) 2.290 3.598 ( 2.668 -0.749 2.296) 3.599 3.749 ( -2.848 -1.440 -1.152) 3.393 4.455 ( 3.836 7.733 2.968) 9.128 4.659 ( -2.177 6.428 -2.506) 7.235 4.946 ( 2.576 -2.455 0.883) 3.667 5.030 ( -0.441 -0.988 -0.414) 1.158 7.519 ( 0.793 38.156 1.437) 38.191 7.576 ( -0.186 36.648 -1.417) 36.675 8.037 ( 1.996 7.765 -0.288) 8.022 8.153 ( -2.786 7.854 0.061) 8.333 9.010 ( 0.885 -5.889 0.106) 5.956 9.094 ( -2.309 -6.648 -0.221) 7.041 10.023 ( 1.451 9.788 2.799) 10.283 10.156 ( -1.756 9.054 -3.286) 9.791 11.041 ( 0.622 -16.235 0.688) 16.262 11.087 ( -0.665 -15.534 -0.773) 15.568 11.460 ( 0.390 -36.330 0.596) 36.337 11.481 ( -0.032 -37.129 -0.532) 37.133 13.855 ( 2.237 -5.508 2.903) 6.616 14.033 ( -2.674 -5.207 -4.389) 7.316 14.337 ( 3.320 -4.499 5.594) 7.909 14.617 ( -5.645 -7.580 -3.430) 10.055 16.195 ( 0.256 14.643 0.561) 14.656 16.213 ( 0.115 14.906 -0.593) 14.918 16.923 ( 0.990 -0.537 1.226) 1.665 16.990 ( -0.779 -1.795 -1.207) 2.299 19.642 ( -0.262 28.957 -0.968) 28.974 19.646 ( -1.392 28.910 1.144) 28.966 21.871 ( 0.297 -24.968 0.622) 24.977 21.890 ( -0.091 -26.482 -0.670) 26.490 26.748 ( 0.702 26.011 -1.577) 26.068 26.929 ( -9.214 23.804 1.878) 25.594 28.194 ( 2.585 -12.005 1.716) 12.399 28.329 ( -2.012 -13.009 -1.504) 13.249 31.481 ( 2.783 8.432 2.226) 9.154 31.631 ( -1.755 3.144 -3.010) 4.693 32.380 ( 0.710 -11.998 0.891) 12.052 32.407 ( 0.165 -11.819 -0.613) 11.836 36.388 ( -1.792 3.663 2.338) 4.701 36.427 ( -1.429 2.883 -3.047) 4.431 36.871 ( 4.130 -6.473 3.637) 8.496 37.024 ( -0.077 -10.609 -2.826) 10.979 ======================= Grid point 266 (116/126) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -3.661 -1.518 -1.038) 4.097 1.306 ( 3.661 -1.518 1.038) 4.097 1.688 ( -0.668 -3.088 -5.062) 5.968 1.688 ( 0.668 -3.088 5.062) 5.968 1.895 ( -3.790 -3.522 -0.983) 5.266 1.895 ( 3.790 -3.522 0.983) 5.266 2.126 ( 0.305 3.594 -6.743) 7.648 2.126 ( -0.305 3.594 6.743) 7.648 2.287 ( -1.926 3.945 -2.106) 4.869 2.287 ( 1.926 3.945 2.106) 4.869 2.439 ( 0.150 2.928 -3.476) 4.547 2.439 ( -0.150 2.928 3.476) 4.547 2.825 ( -3.309 4.117 -5.780) 7.830 2.825 ( 3.309 4.117 5.780) 7.830 3.038 ( -0.933 4.488 -3.467) 5.748 3.038 ( 0.933 4.488 3.467) 5.748 3.309 ( -1.985 2.930 -1.342) 3.785 3.309 ( 1.985 2.930 1.342) 3.785 3.676 ( -2.674 -1.153 -3.130) 4.276 3.676 ( 2.674 -1.153 3.130) 4.276 4.567 ( -3.929 7.652 -4.278) 9.606 4.567 ( 3.929 7.652 4.278) 9.606 5.000 ( -1.608 -1.277 -1.498) 2.541 5.000 ( 1.608 -1.277 1.498) 2.541 7.550 ( -0.836 37.299 -1.975) 37.361 7.550 ( 0.836 37.299 1.975) 37.361 8.090 ( -2.752 7.488 -1.006) 8.041 8.090 ( 2.752 7.488 1.006) 8.041 9.045 ( -2.095 -6.472 -0.827) 6.853 9.045 ( 2.095 -6.472 0.827) 6.853 10.087 ( -1.796 9.438 -4.134) 10.459 10.087 ( 1.796 9.438 4.134) 10.459 11.064 ( -0.864 -15.917 -1.095) 15.978 11.064 ( 0.864 -15.917 1.095) 15.978 11.473 ( -0.297 -36.815 -0.719) 36.823 11.473 ( 0.297 -36.815 0.719) 36.823 13.939 ( -3.017 -5.443 -4.444) 7.647 13.939 ( 3.017 -5.443 4.444) 7.647 14.469 ( -5.093 -5.372 -6.028) 9.546 14.469 ( 5.093 -5.372 6.028) 9.546 16.206 ( -0.197 14.767 -0.762) 14.787 16.206 ( 0.197 14.767 0.762) 14.787 16.958 ( -0.931 -1.113 -1.906) 2.395 16.958 ( 0.931 -1.113 1.906) 2.395 19.637 ( 0.555 29.047 -1.062) 29.072 19.637 ( -0.555 29.047 1.062) 29.072 21.881 ( 0.024 -25.846 -0.905) 25.861 21.881 ( -0.024 -25.846 0.905) 25.861 26.796 ( -5.052 25.840 0.274) 26.330 26.796 ( 5.052 25.840 -0.274) 26.330 28.265 ( -2.582 -12.578 -2.585) 13.098 28.265 ( 2.582 -12.578 2.585) 13.098 31.559 ( -2.073 5.961 -3.970) 7.456 31.559 ( 2.073 5.961 3.970) 7.456 32.399 ( -0.336 -11.905 -0.945) 11.947 32.399 ( 0.336 -11.905 0.945) 11.947 36.391 ( 0.437 3.343 -3.361) 4.761 36.391 ( -0.437 3.343 3.361) 4.761 36.969 ( 0.643 -9.074 -7.422) 11.741 36.969 ( -0.643 -9.074 7.422) 11.741 ======================= Grid point 271 (117/126) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -1.806 7.398 -4.201) 8.698 1.485 ( 1.806 7.398 4.201) 8.698 1.644 ( -1.831 -2.564 -7.003) 7.679 1.644 ( 1.831 -2.564 7.003) 7.679 2.047 ( 1.740 2.134 -4.725) 5.468 2.047 ( -1.740 2.134 4.725) 5.468 2.194 ( 3.352 0.135 -6.081) 6.945 2.194 ( -3.352 0.135 6.081) 6.945 2.500 ( -2.779 5.477 -1.990) 6.457 2.500 ( 2.779 5.477 1.990) 6.457 2.577 ( 0.707 1.112 -1.020) 1.666 2.577 ( -0.707 1.112 1.020) 1.666 2.935 ( 1.291 3.658 -5.123) 6.426 2.935 ( -1.291 3.658 5.123) 6.426 3.182 ( -0.205 1.617 -3.145) 3.543 3.182 ( 0.205 1.617 3.145) 3.543 3.230 ( -2.578 3.174 -2.667) 4.882 3.230 ( 2.578 3.174 2.667) 4.882 3.552 ( -2.739 -7.130 -6.505) 10.032 3.552 ( 2.739 -7.130 6.505) 10.032 4.630 ( -2.645 4.415 -5.437) 7.486 4.630 ( 2.645 4.415 5.437) 7.486 4.823 ( -1.486 -5.009 -3.785) 6.452 4.823 ( 1.486 -5.009 3.785) 6.452 8.239 ( 0.357 23.553 -2.306) 23.668 8.239 ( -0.357 23.553 2.306) 23.668 8.314 ( -1.454 14.151 -4.266) 14.851 8.314 ( 1.454 14.151 4.266) 14.851 9.110 ( -0.369 11.366 -3.304) 11.842 9.110 ( 0.369 11.366 3.304) 11.842 10.268 ( -2.184 6.264 -2.827) 7.211 10.268 ( 2.184 6.264 2.827) 7.211 10.654 ( -0.148 -40.311 -0.625) 40.316 10.654 ( 0.148 -40.311 0.625) 40.316 10.775 ( -1.072 -15.485 -1.774) 15.623 10.775 ( 1.072 -15.485 1.774) 15.623 13.934 ( -3.103 3.915 -4.268) 6.570 13.934 ( 3.103 3.915 4.268) 6.570 14.362 ( -3.826 -10.275 -6.312) 12.651 14.362 ( 3.826 -10.275 6.312) 12.651 16.471 ( -0.403 13.125 -0.464) 13.139 16.471 ( 0.403 13.125 0.464) 13.139 16.870 ( -0.773 -6.457 -1.121) 6.599 16.870 ( 0.773 -6.457 1.121) 6.599 20.258 ( 0.492 28.311 -1.066) 28.336 20.258 ( -0.492 28.311 1.066) 28.336 21.359 ( 0.106 -27.206 -0.285) 27.207 21.359 ( -0.106 -27.206 0.285) 27.207 27.407 ( -1.217 15.039 -8.180) 17.163 27.407 ( 1.217 15.039 8.180) 17.163 28.011 ( -1.890 -13.161 -4.301) 13.974 28.011 ( 1.890 -13.161 4.301) 13.974 31.673 ( -1.523 9.495 -2.052) 9.833 31.673 ( 1.523 9.495 2.052) 9.833 32.127 ( -0.613 -12.353 -0.791) 12.393 32.127 ( 0.613 -12.353 0.791) 12.393 36.585 ( -2.205 1.333 -0.994) 2.762 36.585 ( 2.205 1.333 0.994) 2.762 36.709 ( -4.567 -2.537 0.251) 5.230 36.709 ( 4.567 -2.537 -0.251) 5.230 ======================= Grid point 273 (118/126) ======================= q-point: ( 0.12 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.365 7.022 -4.654) 8.750 1.506 ( -2.872 3.195 -4.001) 5.871 1.552 ( -0.778 3.091 1.476) 3.513 1.711 ( -0.555 -4.178 3.771) 5.655 2.000 ( -2.838 2.104 -3.181) 4.754 2.034 ( -1.469 3.397 3.118) 4.839 2.158 ( -4.003 -1.996 0.037) 4.473 2.214 ( -0.187 -0.309 1.315) 1.364 2.417 ( -3.955 5.013 -1.892) 6.660 2.548 ( -0.444 2.729 -1.045) 2.956 2.569 ( -1.047 1.565 1.874) 2.656 2.580 ( 0.794 3.402 3.518) 4.958 2.887 ( -1.752 4.562 -4.423) 6.591 2.929 ( -2.819 1.396 3.796) 4.930 3.119 ( -2.058 2.616 -0.696) 3.401 3.210 ( 1.907 5.303 -2.286) 6.081 3.250 ( 3.441 3.385 1.824) 5.160 3.316 ( 3.604 0.204 0.620) 3.663 3.469 ( -0.946 -5.786 -4.126) 7.169 3.653 ( 1.780 -8.419 5.421) 10.171 4.544 ( -1.167 5.619 -4.522) 7.307 4.719 ( 2.410 3.876 2.784) 5.346 4.792 ( 1.190 -5.243 -2.483) 5.922 4.897 ( 2.917 -4.174 2.918) 5.869 8.223 ( -0.094 23.029 -1.503) 23.078 8.239 ( -1.132 13.021 -2.317) 13.274 8.261 ( -0.718 25.350 0.283) 25.362 8.365 ( 0.179 12.543 3.512) 13.026 9.068 ( -1.082 12.707 -2.747) 13.045 9.131 ( -0.887 10.840 2.683) 11.202 10.210 ( -1.428 7.956 -1.902) 8.304 10.328 ( 1.709 4.526 1.522) 5.072 10.646 ( -0.183 -41.684 -0.232) 41.685 10.664 ( 0.249 -39.160 0.433) 39.163 10.743 ( -0.770 -16.433 -1.307) 16.503 10.807 ( 0.755 -14.329 1.230) 14.401 13.851 ( -2.171 4.402 -2.754) 5.628 14.028 ( 2.779 2.732 4.273) 5.783 14.232 ( -4.007 -7.484 -5.771) 10.265 14.463 ( 1.642 -12.287 4.334) 13.132 16.461 ( -0.207 12.898 -0.278) 12.902 16.483 ( 0.525 13.402 0.253) 13.415 16.849 ( -0.465 -5.982 -0.687) 6.039 16.895 ( 0.892 -6.881 0.617) 6.966 20.250 ( -1.150 28.372 1.030) 28.414 20.252 ( -0.256 28.826 -0.872) 28.841 21.358 ( 0.012 -27.600 -0.351) 27.602 21.359 ( -0.116 -27.007 0.213) 27.008 27.310 ( -2.243 17.653 -6.163) 18.832 27.472 ( -1.926 14.616 7.862) 16.708 27.937 ( -1.624 -12.985 -4.193) 13.741 28.067 ( 0.592 -14.157 2.949) 14.473 31.637 ( -0.352 11.179 -1.362) 11.268 31.723 ( 1.871 7.795 0.960) 8.074 32.115 ( 0.039 -12.432 -0.531) 12.443 32.147 ( 0.873 -12.260 0.494) 12.301 36.533 ( -2.464 2.516 -0.421) 3.547 36.603 ( -3.010 -1.110 -0.051) 3.209 36.656 ( 1.067 1.257 1.120) 1.993 36.789 ( 3.808 -5.578 -0.577) 6.779 ======================= Grid point 274 (119/126) ======================= q-point: ( 0.25 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.652 5.261 -1.981) 5.860 1.420 ( -1.648 2.520 -2.462) 3.890 1.541 ( -2.817 3.257 1.654) 4.613 1.697 ( -2.386 -4.756 1.417) 5.506 1.919 ( -2.763 -2.309 -2.145) 4.191 2.005 ( -9.623 -0.189 -1.592) 9.755 2.067 ( 1.712 3.387 2.432) 4.507 2.217 ( -1.882 -1.408 3.321) 4.068 2.346 ( -1.626 3.485 -0.645) 3.900 2.494 ( -2.776 2.848 -1.151) 4.140 2.562 ( -0.977 2.692 0.653) 2.937 2.629 ( -0.889 0.973 3.866) 4.085 2.813 ( -1.773 7.773 -1.275) 8.074 2.925 ( -1.002 0.869 3.283) 3.541 3.087 ( -0.953 4.045 -1.544) 4.434 3.243 ( 3.368 4.292 -1.875) 5.769 3.309 ( 0.267 4.824 -0.990) 4.932 3.371 ( 2.813 1.090 -0.087) 3.018 3.451 ( 1.272 -7.344 -0.740) 7.490 3.688 ( -0.929 -8.483 0.852) 8.576 4.532 ( 2.298 7.324 -0.616) 7.701 4.773 ( 2.197 2.576 0.451) 3.415 4.815 ( 2.086 -3.356 -0.829) 4.037 4.966 ( 2.211 -3.673 0.819) 4.365 8.197 ( -0.205 9.783 -2.497) 10.099 8.214 ( -0.197 24.773 -0.099) 24.774 8.259 ( -0.543 24.154 0.661) 24.169 8.372 ( -1.791 11.752 1.724) 12.012 9.033 ( -0.592 14.138 -1.453) 14.224 9.120 ( -1.948 11.237 1.478) 11.500 10.190 ( 0.143 8.635 0.165) 8.638 10.350 ( 0.077 4.338 -0.734) 4.400 10.644 ( 0.026 -42.392 0.026) 42.392 10.669 ( -0.060 -40.302 0.131) 40.302 10.729 ( 0.036 -15.760 -0.236) 15.762 10.819 ( -0.105 -13.819 -0.025) 13.819 13.817 ( -0.090 4.353 0.168) 4.358 14.096 ( -0.349 4.930 -0.290) 4.951 14.137 ( -0.386 -9.037 0.140) 9.046 14.486 ( -1.392 -12.458 0.524) 12.547 16.459 ( 0.114 12.849 0.126) 12.850 16.493 ( 0.354 13.494 -0.213) 13.500 16.844 ( 0.227 -5.753 0.123) 5.759 16.910 ( 0.338 -6.979 -0.145) 6.988 20.233 ( -1.140 28.744 0.512) 28.771 20.238 ( -0.541 29.652 -0.328) 29.659 21.354 ( -0.114 -28.173 -0.272) 28.175 21.359 ( -0.070 -26.874 0.147) 26.875 27.234 ( -1.234 20.245 -3.289) 20.547 27.451 ( -5.451 17.163 4.238) 18.500 27.901 ( 0.643 -14.081 -1.548) 14.180 28.080 ( -1.030 -15.028 1.047) 15.099 31.639 ( 1.110 11.597 -0.059) 11.650 31.751 ( 0.738 7.327 -0.507) 7.382 32.121 ( 0.703 -12.417 0.204) 12.439 32.165 ( 0.673 -12.185 -0.060) 12.204 36.487 ( -2.354 3.061 0.572) 3.903 36.534 ( -2.813 1.309 -1.170) 3.316 36.709 ( 2.419 -1.235 1.596) 3.150 36.838 ( 1.929 -7.271 -0.925) 7.579 ======================= Grid point 275 (120/126) ======================= q-point: ( 0.38 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -0.652 3.989 -0.543) 4.078 1.384 ( -3.083 0.673 0.000) 3.156 1.524 ( 1.725 0.615 1.529) 2.385 1.665 ( -1.649 -5.352 0.799) 5.657 1.811 ( -7.379 -3.468 -1.703) 8.329 1.855 ( -2.579 -6.342 -2.331) 7.233 2.121 ( 1.044 1.293 1.578) 2.291 2.192 ( -2.899 -0.843 1.943) 3.591 2.344 ( 0.815 6.272 2.801) 6.918 2.475 ( 1.246 4.137 1.552) 4.591 2.542 ( -1.089 4.395 -0.993) 4.635 2.584 ( -4.543 4.271 -0.494) 6.256 2.828 ( 1.827 7.010 3.062) 7.865 2.928 ( -0.968 2.269 1.240) 2.761 3.058 ( -0.121 1.951 -0.836) 2.126 3.234 ( -4.028 2.610 -5.846) 7.565 3.306 ( 3.653 3.000 -0.467) 4.750 3.395 ( -0.300 2.678 -0.272) 2.708 3.509 ( 3.184 -6.680 2.447) 7.794 3.650 ( -1.813 -7.149 -2.457) 7.774 4.609 ( 4.066 7.769 3.065) 9.289 4.782 ( -0.734 6.115 -2.585) 6.680 4.871 ( 3.379 -5.085 1.708) 6.340 4.986 ( 0.068 -3.567 -1.334) 3.809 8.197 ( 1.392 8.445 -0.509) 8.574 8.219 ( 0.579 24.949 0.710) 24.965 8.247 ( -0.807 21.267 -0.481) 21.288 8.328 ( -3.291 12.472 -0.013) 12.899 9.026 ( 0.572 14.577 -0.171) 14.589 9.086 ( -2.178 12.361 0.295) 12.554 10.215 ( 1.270 8.323 2.182) 8.698 10.322 ( -1.266 5.760 -2.637) 6.461 10.647 ( 0.185 -42.598 0.269) 42.599 10.664 ( -0.300 -41.870 -0.310) 41.872 10.741 ( 0.833 -15.078 1.003) 15.134 10.804 ( -0.860 -14.061 -1.189) 14.138 13.849 ( 1.919 3.987 2.988) 5.339 14.020 ( -2.826 2.260 -4.269) 5.596 14.210 ( 2.915 -6.754 5.129) 8.968 14.425 ( -3.407 -10.975 -3.185) 11.925 16.467 ( 0.377 12.933 0.592) 12.952 16.492 ( -0.031 13.340 -0.686) 13.358 16.858 ( 0.745 -5.871 0.933) 5.992 16.905 ( -0.382 -6.704 -0.902) 6.775 20.220 ( -0.498 29.384 0.238) 29.389 20.226 ( -0.488 29.926 -0.135) 29.931 21.351 ( 0.017 -28.137 -0.055) 28.137 21.358 ( -0.167 -27.277 0.017) 27.278 27.215 ( 1.082 21.688 -0.829) 21.731 27.356 ( -5.854 19.924 0.715) 20.778 27.930 ( 2.179 -14.903 1.095) 15.101 28.048 ( -2.198 -15.474 -0.773) 15.649 31.672 ( 1.596 10.798 1.160) 10.977 31.744 ( -0.456 8.076 -1.543) 8.235 32.141 ( 0.831 -12.277 0.782) 12.330 32.170 ( 0.151 -12.140 -0.584) 12.155 36.457 ( -1.518 3.224 1.510) 3.870 36.482 ( -1.269 2.451 -1.876) 3.337 36.768 ( 2.250 -3.714 1.726) 4.673 36.847 ( -0.024 -7.314 -1.329) 7.434 ======================= Grid point 276 (121/126) ======================= q-point: (-0.50 0.42 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -2.559 2.197 -0.059) 3.373 1.318 ( 2.559 2.197 0.059) 3.373 1.605 ( -0.885 -3.966 -3.967) 5.679 1.605 ( 0.885 -3.966 3.967) 5.679 1.776 ( -2.371 -6.891 -2.874) 7.833 1.776 ( 2.371 -6.891 2.874) 7.833 2.146 ( -1.520 -0.531 -0.798) 1.797 2.146 ( 1.520 -0.531 0.798) 1.797 2.445 ( -4.496 9.331 -6.241) 12.092 2.445 ( 4.496 9.331 6.241) 12.092 2.525 ( -0.916 4.179 -1.576) 4.559 2.525 ( 0.916 4.179 1.576) 4.559 2.897 ( -1.238 3.599 -3.266) 5.015 2.897 ( 1.238 3.599 3.266) 5.015 3.103 ( -3.755 1.305 -3.585) 5.353 3.103 ( 3.755 1.305 3.585) 5.353 3.366 ( -1.024 2.770 -1.157) 3.172 3.366 ( 1.024 2.770 1.157) 3.172 3.587 ( -1.713 -6.261 -3.725) 7.484 3.587 ( 1.713 -6.261 3.725) 7.484 4.714 ( -3.032 7.151 -4.186) 8.824 4.714 ( 3.032 7.151 4.186) 8.824 4.948 ( -2.091 -4.054 -2.615) 5.258 4.948 ( 2.091 -4.054 2.615) 5.258 8.224 ( -0.833 16.132 -0.994) 16.184 8.224 ( 0.833 16.132 0.994) 16.184 8.260 ( -2.842 16.772 -0.796) 17.029 8.260 ( 2.842 16.772 0.796) 17.029 9.048 ( -1.386 13.750 -0.425) 13.826 9.048 ( 1.386 13.750 0.425) 13.826 10.267 ( -1.530 7.315 -3.314) 8.175 10.267 ( 1.530 7.315 3.314) 8.175 10.655 ( -0.160 -42.468 -0.543) 42.472 10.655 ( 0.160 -42.468 0.543) 42.472 10.772 ( -1.064 -14.663 -1.612) 14.790 10.772 ( 1.064 -14.663 1.612) 14.790 13.929 ( -2.830 3.312 -4.329) 6.142 13.929 ( 2.830 3.312 4.329) 6.142 14.319 ( -3.683 -8.861 -5.189) 10.909 14.319 ( 3.683 -8.861 5.189) 10.909 16.481 ( -0.340 13.106 -0.856) 13.138 16.481 ( 0.340 13.106 0.856) 13.138 16.883 ( -0.693 -6.250 -1.355) 6.432 16.883 ( 0.693 -6.250 1.355) 6.432 20.218 ( 0.175 29.801 -0.615) 29.807 20.218 ( -0.175 29.801 0.615) 29.807 21.354 ( -0.062 -27.769 -0.186) 27.770 21.354 ( 0.062 -27.769 0.186) 27.770 27.261 ( -3.801 21.586 -0.273) 21.920 27.261 ( 3.801 21.586 0.273) 21.920 27.990 ( -2.516 -15.398 -1.790) 15.704 27.990 ( 2.516 -15.398 1.790) 15.704 31.712 ( -0.976 9.433 -2.024) 9.697 31.712 ( 0.976 9.433 2.024) 9.697 32.161 ( -0.436 -12.159 -0.879) 12.199 32.161 ( 0.436 -12.159 0.879) 12.199 36.455 ( 0.191 3.012 -1.985) 3.613 36.455 ( -0.191 3.012 1.985) 3.613 36.819 ( 0.631 -5.940 -4.172) 7.286 36.819 ( -0.631 -5.940 4.172) 7.286 ======================= Grid point 281 (122/126) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.000 -0.000 -0.000) 0.000 1.584 ( -0.000 0.000 -0.000) 0.000 1.594 ( 0.000 -0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.034 ( -0.000 0.000 0.000) 0.000 2.219 ( -0.000 -0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 -0.000 -0.000) 0.000 2.587 ( -0.000 0.000 0.000) 0.000 2.984 ( -0.000 -0.000 -0.000) 0.000 2.984 ( -0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 -0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.455 ( -0.000 -0.000 -0.000) 0.000 3.455 ( -0.000 0.000 0.000) 0.000 4.722 ( -0.000 0.000 -0.000) 0.000 4.722 ( -0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 -0.000 0.000) 0.000 8.401 ( 0.000 0.000 -0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.484 ( -0.000 -0.000 -0.000) 0.000 8.484 ( 0.000 -0.000 0.000) 0.000 9.706 ( -0.000 0.000 -0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.720 ( -0.000 -0.000 0.000) 0.000 9.720 ( 0.000 -0.000 -0.000) 0.000 10.511 ( 0.000 -0.000 0.000) 0.000 10.511 ( -0.000 0.000 0.000) 0.000 10.533 ( 0.000 -0.000 -0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 14.010 ( -0.000 0.000 0.000) 0.000 14.010 ( -0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 14.224 ( -0.000 0.000 0.000) 0.000 16.699 ( 0.000 -0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 16.708 ( -0.000 -0.000 -0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 -0.000 0.000) 0.000 20.789 ( -0.000 0.000 0.000) 0.000 20.838 ( 0.000 -0.000 0.000) 0.000 20.838 ( -0.000 0.000 0.000) 0.000 27.623 ( 0.000 -0.000 0.000) 0.000 27.623 ( -0.000 0.000 -0.000) 0.000 27.812 ( -0.000 -0.000 0.000) 0.000 27.812 ( 0.000 0.000 0.000) 0.000 31.869 ( -0.000 0.000 -0.000) 0.000 31.869 ( 0.000 0.000 0.000) 0.000 31.903 ( -0.000 -0.000 -0.000) 0.000 31.903 ( 0.000 -0.000 0.000) 0.000 36.601 ( -0.000 0.000 0.000) 0.000 36.601 ( -0.000 0.000 0.000) 0.000 36.681 ( 0.000 0.000 0.000) 0.000 36.681 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 285 (123/126) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.385 -2.582 -5.357) 6.407 1.503 ( -2.385 2.582 -5.357) 6.407 1.627 ( -1.516 -4.119 4.021) 5.953 1.627 ( -1.516 4.119 4.021) 5.953 2.025 ( -0.292 -3.250 -3.562) 4.830 2.025 ( -0.292 3.250 -3.562) 4.830 2.183 ( -4.229 -3.169 3.391) 6.279 2.183 ( -4.229 3.169 3.391) 6.279 2.541 ( -2.556 -4.445 0.593) 5.162 2.541 ( -2.556 4.445 0.593) 5.162 2.600 ( -0.309 -1.460 0.805) 1.696 2.600 ( -0.309 1.460 0.805) 1.696 2.937 ( -3.407 -0.911 0.687) 3.593 2.937 ( -3.407 0.911 0.687) 3.593 3.209 ( 2.244 -5.909 -1.792) 6.570 3.209 ( 2.244 5.909 -1.792) 6.570 3.299 ( 2.016 -2.618 0.277) 3.316 3.299 ( 2.016 2.618 0.277) 3.316 3.477 ( 1.310 -7.510 1.115) 7.705 3.477 ( 1.310 7.510 1.115) 7.705 4.664 ( 0.071 -6.321 -3.567) 7.259 4.664 ( 0.071 6.321 -3.567) 7.259 4.812 ( 3.174 -4.390 3.073) 6.228 4.812 ( 3.174 4.390 3.073) 6.228 8.381 ( -0.732 -3.594 -2.363) 4.363 8.381 ( -0.732 3.594 -2.363) 4.363 8.486 ( -1.088 -3.324 2.237) 4.152 8.486 ( -1.088 3.324 2.237) 4.152 9.697 ( -0.271 -43.071 -0.744) 43.079 9.697 ( -0.271 43.071 -0.744) 43.079 9.725 ( -0.089 -42.257 0.821) 42.265 9.725 ( -0.089 42.257 0.821) 42.265 10.476 ( -1.008 -11.330 -1.586) 11.485 10.476 ( -1.008 11.330 -1.586) 11.485 10.569 ( 1.105 -10.066 1.519) 10.239 10.569 ( 1.105 10.066 1.519) 10.239 13.981 ( -1.466 -7.567 -1.724) 7.898 13.981 ( -1.466 7.567 -1.724) 7.898 14.244 ( 0.681 -8.843 1.645) 9.020 14.244 ( 0.681 8.843 1.645) 9.020 16.687 ( -0.321 -9.163 -0.542) 9.184 16.687 ( -0.321 9.163 -0.542) 9.184 16.723 ( 0.719 -9.751 0.527) 9.792 16.723 ( 0.719 9.751 0.527) 9.792 20.790 ( -0.135 -6.866 0.423) 6.880 20.790 ( -0.135 6.866 0.423) 6.881 20.832 ( -0.436 -6.938 -0.413) 6.964 20.832 ( -0.436 6.938 -0.413) 6.964 27.612 ( -0.280 -10.794 -1.687) 10.928 27.612 ( -0.280 10.794 -1.687) 10.928 27.805 ( -1.613 -10.044 1.817) 10.334 27.805 ( -1.613 10.044 1.817) 10.334 31.868 ( 0.229 -11.403 -0.364) 11.411 31.868 ( 0.229 11.403 -0.364) 11.411 31.916 ( 0.934 -10.249 0.251) 10.295 31.916 ( 0.934 10.249 0.251) 10.295 36.575 ( -2.124 -1.756 0.014) 2.756 36.575 ( -2.124 1.756 0.014) 2.756 36.701 ( 1.592 -3.373 0.000) 3.730 36.701 ( 1.592 3.373 0.000) 3.730 ======================= Grid point 287 (124/126) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.926 -2.737 -3.299) 4.700 1.425 ( -1.926 2.737 -3.299) 4.700 1.606 ( -3.098 -4.044 2.710) 5.770 1.606 ( -3.098 4.044 2.710) 5.770 1.925 ( -6.593 -3.819 -3.339) 8.319 1.925 ( -6.593 3.819 -3.339) 8.319 2.159 ( -0.927 -4.149 2.483) 4.924 2.159 ( -0.927 4.149 2.483) 4.924 2.489 ( -2.718 -6.021 0.280) 6.612 2.489 ( -2.718 6.021 0.280) 6.612 2.595 ( -1.177 -1.791 2.611) 3.378 2.595 ( -1.177 1.791 2.611) 3.378 2.909 ( -0.929 -2.578 2.510) 3.716 2.909 ( -0.929 2.578 2.510) 3.716 3.233 ( 0.947 -9.003 -2.835) 9.486 3.233 ( 0.947 9.003 -2.835) 9.486 3.326 ( 1.310 -2.408 -0.071) 2.742 3.326 ( 1.310 2.408 -0.071) 2.742 3.506 ( 1.290 -9.080 -0.670) 9.196 3.506 ( 1.290 9.080 -0.670) 9.196 4.675 ( 2.838 -7.071 -0.439) 7.632 4.675 ( 2.838 7.071 -0.439) 7.632 4.881 ( 2.226 -4.730 0.378) 5.241 4.881 ( 2.226 4.730 0.378) 5.241 8.349 ( -0.396 -4.928 -1.872) 5.287 8.349 ( -0.396 4.928 -1.872) 5.287 8.470 ( -2.261 -4.284 1.722) 5.141 8.470 ( -2.261 4.284 1.722) 5.141 9.688 ( -0.176 -41.748 -0.476) 41.751 9.688 ( -0.176 41.748 -0.476) 41.751 9.727 ( -0.295 -40.639 0.545) 40.644 9.727 ( -0.295 40.639 0.545) 40.644 10.460 ( 0.071 -11.687 -0.075) 11.688 10.460 ( 0.071 11.687 -0.075) 11.688 10.585 ( -0.100 -10.078 -0.225) 10.081 10.585 ( -0.100 10.078 -0.225) 10.081 13.954 ( -0.314 -8.863 0.135) 8.870 13.954 ( -0.314 8.863 0.135) 8.870 14.254 ( -0.615 -10.535 0.050) 10.553 14.254 ( -0.615 10.535 0.050) 10.553 16.682 ( 0.054 -8.358 -0.135) 8.359 16.682 ( 0.054 8.358 -0.135) 8.359 16.738 ( 0.487 -9.155 0.097) 9.168 16.738 ( 0.487 9.155 0.097) 9.168 20.791 ( -0.141 -19.224 0.594) 19.233 20.791 ( -0.141 19.224 0.594) 19.234 20.817 ( -0.588 -19.334 -0.572) 19.352 20.817 ( -0.588 19.334 -0.572) 19.352 27.595 ( 0.219 -16.555 -1.539) 16.628 27.595 ( 0.219 16.555 -1.539) 16.628 27.776 ( -2.830 -15.652 1.672) 15.994 27.776 ( -2.830 15.652 1.672) 15.994 31.875 ( 0.697 -12.012 -0.128) 12.033 31.875 ( 0.697 12.012 -0.128) 12.033 31.935 ( 0.887 -10.547 0.016) 10.585 31.935 ( 0.887 10.547 0.016) 10.585 36.534 ( -2.028 -1.473 0.011) 2.507 36.534 ( -2.028 1.473 0.011) 2.507 36.730 ( 1.284 -3.566 0.004) 3.790 36.730 ( 1.284 3.566 0.004) 3.790 ======================= Grid point 289 (125/126) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -1.611 -2.445 -1.068) 3.116 1.373 ( -1.611 2.445 -1.068) 3.116 1.573 ( -2.028 -3.862 2.002) 4.799 1.573 ( -2.028 3.862 2.002) 4.799 1.768 ( -6.017 -1.046 -2.520) 6.607 1.768 ( -6.017 1.046 -2.520) 6.607 2.153 ( -0.998 -2.219 -0.106) 2.435 2.153 ( -0.998 2.219 -0.106) 2.435 2.486 ( 1.346 -4.339 3.159) 5.534 2.486 ( 1.346 4.339 3.159) 5.534 2.596 ( -1.448 -1.690 2.539) 3.376 2.596 ( -1.448 1.690 2.539) 3.376 2.928 ( 0.796 -2.843 1.738) 3.426 2.928 ( 0.796 2.843 1.738) 3.426 3.168 ( -3.556 -8.030 -4.231) 9.748 3.168 ( -3.556 8.030 -4.231) 9.748 3.372 ( 2.632 -3.775 0.482) 4.627 3.372 ( 2.632 3.775 0.482) 4.627 3.512 ( 0.318 -6.261 -1.609) 6.473 3.512 ( 0.318 6.261 -1.609) 6.473 4.753 ( 3.825 -6.801 2.510) 8.197 4.753 ( 3.825 6.801 2.510) 8.197 4.896 ( 0.036 -5.390 -2.151) 5.803 4.896 ( 0.036 5.390 -2.151) 5.803 8.342 ( 0.757 -4.940 -0.678) 5.044 8.342 ( 0.757 4.940 -0.678) 5.044 8.430 ( -2.702 -4.322 0.585) 5.131 8.430 ( -2.702 4.322 0.585) 5.131 9.683 ( -0.052 -27.058 -0.185) 27.059 9.683 ( -0.052 27.059 -0.185) 27.059 9.725 ( -0.245 -26.303 0.214) 26.305 9.725 ( -0.245 26.303 0.214) 26.305 10.476 ( 0.908 -11.102 1.349) 11.221 10.476 ( 0.908 11.102 1.349) 11.221 10.564 ( -1.036 -10.090 -1.698) 10.284 10.564 ( -1.036 10.090 -1.698) 10.284 13.972 ( 0.965 -7.191 1.877) 7.494 13.972 ( 0.965 7.191 1.877) 7.494 14.224 ( -1.506 -8.266 -1.549) 8.544 14.224 ( -1.506 8.266 -1.549) 8.544 16.686 ( 0.236 -5.892 0.177) 5.900 16.686 ( 0.236 5.892 0.177) 5.899 16.743 ( 0.129 -6.429 -0.216) 6.434 16.743 ( 0.129 6.429 -0.216) 6.434 20.790 ( -0.327 -25.015 0.029) 25.017 20.790 ( -0.327 25.015 0.029) 25.018 20.807 ( -0.133 -25.093 -0.009) 25.094 20.807 ( -0.133 25.093 -0.009) 25.093 27.599 ( 1.022 -16.424 -0.612) 16.467 27.599 ( 1.022 16.424 -0.612) 16.467 27.729 ( -2.819 -15.890 0.676) 16.152 27.729 ( -2.819 15.890 0.676) 16.152 31.889 ( 0.616 -7.987 0.069) 8.011 31.889 ( 0.616 7.987 0.069) 8.011 31.948 ( 0.460 -7.057 -0.121) 7.073 31.948 ( 0.460 7.057 -0.121) 7.073 36.502 ( -1.174 -0.853 0.005) 1.451 36.502 ( -1.174 0.853 0.005) 1.451 36.749 ( 0.653 -2.212 0.001) 2.307 36.749 ( 0.653 2.212 0.001) 2.307 ======================= Grid point 291 (126/126) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 0.000 -0.000) 0.000 1.351 ( 0.000 0.000 -0.000) 0.000 1.563 ( 0.000 -0.000 -0.000) 0.000 1.563 ( -0.000 0.000 -0.000) 0.000 1.694 ( 0.000 0.000 -0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 -0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.548 ( -0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.572 ( 0.000 -0.000 -0.000) 0.000 2.572 ( 0.000 -0.000 0.000) 0.000 2.952 ( 0.000 -0.000 -0.000) 0.000 2.952 ( -0.000 0.000 -0.000) 0.000 3.096 ( 0.000 0.000 -0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 -0.000 0.000) 0.000 3.503 ( 0.000 0.000 -0.000) 0.000 3.503 ( -0.000 0.000 -0.000) 0.000 4.831 ( 0.000 -0.000 -0.000) 0.000 4.831 ( 0.000 0.000 -0.000) 0.000 4.860 ( -0.000 -0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 -0.000) 0.000 8.356 ( -0.000 0.000 0.000) 0.000 8.396 ( 0.000 -0.000 -0.000) 0.000 8.396 ( 0.000 -0.000 0.000) 0.000 9.682 ( 0.000 0.000 -0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 9.723 ( -0.000 -0.000 -0.000) 0.000 9.723 ( 0.000 -0.000 -0.000) 0.000 10.503 ( 0.000 -0.000 -0.000) 0.000 10.503 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 -0.000 0.000) 0.000 10.534 ( -0.000 0.000 -0.000) 0.000 13.996 ( 0.000 0.000 -0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 -0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 -0.000 -0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 16.742 ( 0.000 -0.000 0.000) 0.000 16.742 ( 0.000 0.000 0.000) 0.000 20.786 ( 0.000 -0.000 -0.000) 0.000 20.786 ( 0.000 0.000 -0.000) 0.000 20.807 ( 0.000 -0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 27.612 ( 0.000 -0.000 0.000) 0.000 27.612 ( -0.000 0.000 -0.000) 0.000 27.699 ( 0.000 -0.000 0.000) 0.000 27.699 ( 0.000 0.000 0.000) 0.000 31.896 ( 0.000 0.000 -0.000) 0.000 31.896 ( 0.000 0.000 0.000) 0.000 31.952 ( 0.000 -0.000 -0.000) 0.000 31.952 ( 0.000 -0.000 0.000) 0.000 36.491 ( 0.000 0.000 -0.000) 0.000 36.491 ( 0.000 0.000 -0.000) 0.000 36.755 ( 0.000 0.000 0.000) 0.000 36.755 ( 0.000 0.000 0.000) 0.000 =================== 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 3/23040 10.0 68.689 59.186 63.023 0.000 -2.897 0.000 3/23040 20.0 16.532 16.748 15.278 0.000 -0.218 0.000 3/23040 30.0 7.937 8.726 7.638 0.000 0.145 0.000 3/23040 40.0 5.113 5.934 5.042 0.000 0.170 0.000 3/23040 50.0 3.775 4.617 3.777 0.000 0.154 0.000 3/23040 60.0 3.002 3.945 3.031 0.000 0.136 0.000 3/23040 70.0 2.500 3.631 2.541 0.000 0.121 0.000 3/23040 80.0 2.149 3.526 2.195 0.000 0.111 0.000 3/23040 90.0 1.891 3.539 1.940 0.000 0.103 0.000 3/23040 100.0 1.694 3.613 1.746 0.000 0.098 0.000 3/23040 110.0 1.539 3.710 1.593 0.000 0.095 0.000 3/23040 120.0 1.415 3.809 1.471 0.000 0.093 0.000 3/23040 130.0 1.313 3.899 1.371 0.000 0.092 0.000 3/23040 140.0 1.227 3.973 1.287 0.000 0.091 0.000 3/23040 150.0 1.154 4.029 1.216 0.000 0.091 0.000 3/23040 160.0 1.092 4.069 1.154 0.000 0.091 0.000 3/23040 170.0 1.037 4.093 1.100 0.000 0.090 0.000 3/23040 180.0 0.989 4.103 1.053 0.000 0.090 0.000 3/23040 190.0 0.946 4.101 1.010 0.000 0.089 0.000 3/23040 200.0 0.907 4.088 0.972 0.000 0.089 0.000 3/23040 210.0 0.873 4.068 0.937 0.000 0.088 0.000 3/23040 220.0 0.841 4.040 0.906 0.000 0.088 0.000 3/23040 230.0 0.813 4.006 0.877 0.000 0.087 0.000 3/23040 240.0 0.787 3.968 0.850 0.000 0.086 0.000 3/23040 250.0 0.763 3.927 0.826 0.000 0.085 0.000 3/23040 260.0 0.741 3.883 0.804 0.000 0.085 0.000 3/23040 270.0 0.720 3.836 0.783 0.000 0.084 0.000 3/23040 280.0 0.702 3.788 0.763 0.000 0.083 0.000 3/23040 290.0 0.684 3.739 0.745 0.000 0.082 0.000 3/23040 300.0 0.668 3.690 0.728 0.000 0.081 0.000 3/23040 310.0 0.653 3.639 0.713 0.000 0.081 0.000 3/23040 320.0 0.639 3.589 0.698 0.000 0.080 0.000 3/23040 330.0 0.625 3.539 0.684 0.000 0.079 0.000 3/23040 340.0 0.613 3.489 0.670 0.000 0.078 0.000 3/23040 350.0 0.601 3.439 0.658 0.000 0.078 0.000 3/23040 360.0 0.590 3.390 0.646 0.000 0.077 0.000 3/23040 370.0 0.579 3.342 0.635 0.000 0.076 0.000 3/23040 380.0 0.569 3.294 0.624 0.000 0.075 0.000 3/23040 390.0 0.559 3.247 0.613 0.000 0.075 0.000 3/23040 400.0 0.550 3.200 0.604 0.000 0.074 0.000 3/23040 410.0 0.541 3.154 0.594 0.000 0.073 0.000 3/23040 420.0 0.532 3.110 0.585 0.000 0.073 0.000 3/23040 430.0 0.524 3.065 0.576 0.000 0.072 0.000 3/23040 440.0 0.516 3.022 0.568 0.000 0.071 0.000 3/23040 450.0 0.509 2.980 0.559 0.000 0.071 0.000 3/23040 460.0 0.501 2.938 0.552 0.000 0.070 0.000 3/23040 470.0 0.494 2.897 0.544 0.000 0.069 0.000 3/23040 480.0 0.487 2.857 0.536 0.000 0.069 0.000 3/23040 490.0 0.481 2.818 0.529 0.000 0.068 0.000 3/23040 500.0 0.474 2.780 0.522 0.000 0.067 0.000 3/23040 510.0 0.468 2.742 0.515 0.000 0.067 0.000 3/23040 520.0 0.462 2.706 0.509 0.000 0.066 0.000 3/23040 530.0 0.456 2.670 0.502 0.000 0.065 0.000 3/23040 540.0 0.450 2.634 0.496 0.000 0.065 0.000 3/23040 550.0 0.445 2.600 0.490 0.000 0.064 0.000 3/23040 560.0 0.439 2.566 0.484 0.000 0.063 0.000 3/23040 570.0 0.434 2.533 0.478 0.000 0.063 0.000 3/23040 580.0 0.428 2.501 0.472 0.000 0.062 0.000 3/23040 590.0 0.423 2.469 0.467 0.000 0.062 0.000 3/23040 600.0 0.418 2.438 0.461 0.000 0.061 0.000 3/23040 610.0 0.413 2.408 0.456 0.000 0.061 0.000 3/23040 620.0 0.409 2.378 0.451 0.000 0.060 0.000 3/23040 630.0 0.404 2.349 0.445 0.000 0.059 0.000 3/23040 640.0 0.399 2.321 0.440 0.000 0.059 0.000 3/23040 650.0 0.395 2.293 0.436 0.000 0.058 0.000 3/23040 660.0 0.391 2.265 0.431 0.000 0.058 0.000 3/23040 670.0 0.386 2.239 0.426 0.000 0.057 0.000 3/23040 680.0 0.382 2.212 0.421 0.000 0.057 0.000 3/23040 690.0 0.378 2.187 0.417 0.000 0.056 0.000 3/23040 700.0 0.374 2.162 0.412 0.000 0.056 0.000 3/23040 710.0 0.370 2.137 0.408 0.000 0.055 0.000 3/23040 720.0 0.366 2.113 0.404 0.000 0.055 0.000 3/23040 730.0 0.362 2.089 0.400 0.000 0.054 0.000 3/23040 740.0 0.359 2.066 0.396 0.000 0.054 0.000 3/23040 750.0 0.355 2.043 0.392 0.000 0.053 0.000 3/23040 760.0 0.351 2.021 0.388 0.000 0.053 0.000 3/23040 770.0 0.348 1.999 0.384 0.000 0.052 0.000 3/23040 780.0 0.344 1.978 0.380 0.000 0.052 0.000 3/23040 790.0 0.341 1.957 0.376 0.000 0.051 0.000 3/23040 800.0 0.337 1.936 0.372 0.000 0.051 0.000 3/23040 810.0 0.334 1.916 0.369 0.000 0.050 0.000 3/23040 820.0 0.331 1.896 0.365 0.000 0.050 0.000 3/23040 830.0 0.328 1.877 0.362 0.000 0.050 0.000 3/23040 840.0 0.325 1.858 0.358 0.000 0.049 0.000 3/23040 850.0 0.322 1.839 0.355 0.000 0.049 0.000 3/23040 860.0 0.319 1.821 0.352 0.000 0.048 0.000 3/23040 870.0 0.316 1.802 0.348 0.000 0.048 0.000 3/23040 880.0 0.313 1.785 0.345 0.000 0.047 0.000 3/23040 890.0 0.310 1.767 0.342 0.000 0.047 0.000 3/23040 900.0 0.307 1.750 0.339 0.000 0.047 0.000 3/23040 910.0 0.304 1.733 0.336 0.000 0.046 0.000 3/23040 920.0 0.302 1.717 0.333 0.000 0.046 0.000 3/23040 930.0 0.299 1.701 0.330 0.000 0.045 0.000 3/23040 940.0 0.296 1.685 0.327 0.000 0.045 0.000 3/23040 950.0 0.294 1.669 0.324 0.000 0.045 0.000 3/23040 960.0 0.291 1.654 0.321 0.000 0.044 0.000 3/23040 970.0 0.289 1.639 0.319 0.000 0.044 0.000 3/23040 980.0 0.286 1.624 0.316 0.000 0.044 0.000 3/23040 990.0 0.284 1.609 0.313 0.000 0.043 0.000 3/23040 1000.0 0.281 1.595 0.311 0.000 0.043 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m8124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:04:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|