----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:27:33]------------------------- 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 1 3] 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 6.314912620753145 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -2.246862306790174 0.000000000000000 4.997704739168817 Atomic positions (fractional): *1 Li 0.20338373034945 0.55359552522030 0.82329772942253 6.941 *2 Li 0.39995934007135 0.14028326537627 0.94935508885040 6.941 3 Li 0.20338373034945 0.94640447477970 0.32329772942253 6.941 4 Li 0.39995934007135 0.35971673462373 0.44935508885040 6.941 5 Li 0.60004065992864 0.64028326537627 0.55064491114960 6.941 6 Li 0.79661626965055 0.05359552522030 0.67670227057747 6.941 7 Li 0.60004065992864 0.85971673462373 0.05064491114960 6.941 8 Li 0.79661626965055 0.44640447477970 0.17670227057747 6.941 *9 Ti 0.02014984968666 0.31923019755061 0.86617000646340 47.867 10 Ti 0.02014984968666 0.18076980244939 0.36617000646340 47.867 11 Ti 0.97985015031334 0.81923019755061 0.63382999353660 47.867 12 Ti 0.97985015031334 0.68076980244939 0.13382999353660 47.867 *13 S 0.20992793083470 0.95138981056068 0.86563040326404 32.065 *14 S 0.38799169817328 0.35759142901172 0.95542346909235 32.065 15 S 0.20992793083470 0.54861018943932 0.36563040326404 32.065 16 S 0.38799169817328 0.14240857098828 0.45542346909235 32.065 17 S 0.61200830182672 0.85759142901172 0.54457653090765 32.065 18 S 0.79007206916530 0.45138981056069 0.63436959673596 32.065 19 S 0.61200830182672 0.64240857098828 0.04457653090765 32.065 20 S 0.79007206916530 0.04861018943931 0.13436959673596 32.065 *21 O 0.02557470666293 0.69171027159483 0.82174558592328 15.999 22 O 0.02557470666293 0.80828972840517 0.32174558592328 15.999 23 O 0.97442529333707 0.19171027159483 0.67825441407672 15.999 24 O 0.97442529333707 0.30828972840517 0.17825441407672 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.314912620753145 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -2.246862306790174 0.000000000000000 4.997704739168817 Atomic positions (fractional): *1 Li 0.20338373034945 0.55359552522030 0.82329772942253 6.941 > 1 *2 Li 0.39995934007135 0.14028326537627 0.94935508885040 6.941 > 2 3 Li 0.20338373034945 0.94640447477970 0.32329772942253 6.941 > 3 4 Li 0.39995934007135 0.35971673462373 0.44935508885040 6.941 > 4 5 Li 0.60004065992864 0.64028326537627 0.55064491114960 6.941 > 5 6 Li 0.79661626965055 0.05359552522030 0.67670227057747 6.941 > 6 7 Li 0.60004065992864 0.85971673462373 0.05064491114960 6.941 > 7 8 Li 0.79661626965055 0.44640447477970 0.17670227057747 6.941 > 8 *9 Ti 0.02014984968666 0.31923019755061 0.86617000646340 47.867 > 9 10 Ti 0.02014984968666 0.18076980244939 0.36617000646340 47.867 > 10 11 Ti 0.97985015031334 0.81923019755061 0.63382999353660 47.867 > 11 12 Ti 0.97985015031334 0.68076980244939 0.13382999353660 47.867 > 12 *13 S 0.20992793083470 0.95138981056068 0.86563040326404 32.065 > 13 *14 S 0.38799169817328 0.35759142901172 0.95542346909235 32.065 > 14 15 S 0.20992793083470 0.54861018943932 0.36563040326404 32.065 > 15 16 S 0.38799169817328 0.14240857098828 0.45542346909235 32.065 > 16 17 S 0.61200830182672 0.85759142901172 0.54457653090765 32.065 > 17 18 S 0.79007206916530 0.45138981056069 0.63436959673596 32.065 > 18 19 S 0.61200830182672 0.64240857098828 0.04457653090765 32.065 > 19 20 S 0.79007206916530 0.04861018943931 0.13436959673596 32.065 > 20 *21 O 0.02557470666293 0.69171027159483 0.82174558592328 15.999 > 21 22 O 0.02557470666293 0.80828972840517 0.32174558592328 15.999 > 22 23 O 0.97442529333707 0.19171027159483 0.67825441407672 15.999 > 23 24 O 0.97442529333707 0.30828972840517 0.17825441407672 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.629825241506291 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -6.740586920370522 0.000000000000000 14.993114217506452 Atomic positions (fractional): *1 Li 0.10169186517472 0.55359552522030 0.27443257647418 6.941 > 1 2 Li 0.60169186517472 0.55359552522030 0.27443257647418 6.941 > 1 3 Li 0.10169186517472 0.55359552522030 0.60776590980751 6.941 > 1 4 Li 0.60169186517472 0.55359552522030 0.60776590980751 6.941 > 1 5 Li 0.10169186517472 0.55359552522030 0.94109924314084 6.941 > 1 6 Li 0.60169186517472 0.55359552522030 0.94109924314084 6.941 > 1 *7 Li 0.19997967003568 0.14028326537627 0.31645169628347 6.941 > 2 8 Li 0.69997967003568 0.14028326537627 0.31645169628347 6.941 > 2 9 Li 0.19997967003568 0.14028326537627 0.64978502961680 6.941 > 2 10 Li 0.69997967003568 0.14028326537627 0.64978502961680 6.941 > 2 11 Li 0.19997967003568 0.14028326537627 0.98311836295013 6.941 > 2 12 Li 0.69997967003568 0.14028326537627 0.98311836295013 6.941 > 2 13 Li 0.10169186517472 0.94640447477970 0.10776590980751 6.941 > 3 14 Li 0.60169186517472 0.94640447477970 0.10776590980751 6.941 > 3 15 Li 0.10169186517472 0.94640447477970 0.44109924314084 6.941 > 3 16 Li 0.60169186517472 0.94640447477970 0.44109924314084 6.941 > 3 17 Li 0.10169186517472 0.94640447477970 0.77443257647418 6.941 > 3 18 Li 0.60169186517472 0.94640447477970 0.77443257647418 6.941 > 3 19 Li 0.19997967003568 0.35971673462373 0.14978502961680 6.941 > 4 20 Li 0.69997967003568 0.35971673462373 0.14978502961680 6.941 > 4 21 Li 0.19997967003568 0.35971673462373 0.48311836295013 6.941 > 4 22 Li 0.69997967003568 0.35971673462373 0.48311836295013 6.941 > 4 23 Li 0.19997967003568 0.35971673462373 0.81645169628347 6.941 > 4 24 Li 0.69997967003568 0.35971673462373 0.81645169628347 6.941 > 4 25 Li 0.30002032996432 0.64028326537627 0.18354830371653 6.941 > 5 26 Li 0.80002032996432 0.64028326537627 0.18354830371653 6.941 > 5 27 Li 0.30002032996432 0.64028326537627 0.51688163704987 6.941 > 5 28 Li 0.80002032996432 0.64028326537627 0.51688163704987 6.941 > 5 29 Li 0.30002032996432 0.64028326537627 0.85021497038320 6.941 > 5 30 Li 0.80002032996432 0.64028326537627 0.85021497038320 6.941 > 5 31 Li 0.39830813482528 0.05359552522030 0.22556742352582 6.941 > 6 32 Li 0.89830813482528 0.05359552522030 0.22556742352582 6.941 > 6 33 Li 0.39830813482528 0.05359552522030 0.55890075685916 6.941 > 6 34 Li 0.89830813482528 0.05359552522030 0.55890075685916 6.941 > 6 35 Li 0.39830813482528 0.05359552522030 0.89223409019249 6.941 > 6 36 Li 0.89830813482528 0.05359552522030 0.89223409019249 6.941 > 6 37 Li 0.30002032996432 0.85971673462373 0.01688163704987 6.941 > 7 38 Li 0.80002032996432 0.85971673462373 0.01688163704987 6.941 > 7 39 Li 0.30002032996432 0.85971673462373 0.35021497038320 6.941 > 7 40 Li 0.80002032996432 0.85971673462373 0.35021497038320 6.941 > 7 41 Li 0.30002032996432 0.85971673462373 0.68354830371653 6.941 > 7 42 Li 0.80002032996432 0.85971673462373 0.68354830371653 6.941 > 7 43 Li 0.39830813482528 0.44640447477970 0.05890075685916 6.941 > 8 44 Li 0.89830813482528 0.44640447477970 0.05890075685916 6.941 > 8 45 Li 0.39830813482528 0.44640447477970 0.39223409019249 6.941 > 8 46 Li 0.89830813482528 0.44640447477970 0.39223409019249 6.941 > 8 47 Li 0.39830813482528 0.44640447477970 0.72556742352582 6.941 > 8 48 Li 0.89830813482528 0.44640447477970 0.72556742352582 6.941 > 8 *49 Ti 0.01007492484333 0.31923019755061 0.28872333548780 47.867 > 9 50 Ti 0.51007492484333 0.31923019755061 0.28872333548780 47.867 > 9 51 Ti 0.01007492484333 0.31923019755061 0.62205666882113 47.867 > 9 52 Ti 0.51007492484333 0.31923019755061 0.62205666882113 47.867 > 9 53 Ti 0.01007492484333 0.31923019755061 0.95539000215447 47.867 > 9 54 Ti 0.51007492484333 0.31923019755061 0.95539000215447 47.867 > 9 55 Ti 0.01007492484333 0.18076980244939 0.12205666882113 47.867 > 10 56 Ti 0.51007492484333 0.18076980244939 0.12205666882113 47.867 > 10 57 Ti 0.01007492484333 0.18076980244939 0.45539000215447 47.867 > 10 58 Ti 0.51007492484333 0.18076980244939 0.45539000215447 47.867 > 10 59 Ti 0.01007492484333 0.18076980244939 0.78872333548780 47.867 > 10 60 Ti 0.51007492484333 0.18076980244939 0.78872333548780 47.867 > 10 61 Ti 0.48992507515667 0.81923019755061 0.21127666451220 47.867 > 11 62 Ti 0.98992507515667 0.81923019755061 0.21127666451220 47.867 > 11 63 Ti 0.48992507515667 0.81923019755061 0.54460999784553 47.867 > 11 64 Ti 0.98992507515667 0.81923019755061 0.54460999784553 47.867 > 11 65 Ti 0.48992507515667 0.81923019755061 0.87794333117887 47.867 > 11 66 Ti 0.98992507515667 0.81923019755061 0.87794333117887 47.867 > 11 67 Ti 0.48992507515667 0.68076980244939 0.04460999784553 47.867 > 12 68 Ti 0.98992507515667 0.68076980244939 0.04460999784553 47.867 > 12 69 Ti 0.48992507515667 0.68076980244939 0.37794333117887 47.867 > 12 70 Ti 0.98992507515667 0.68076980244939 0.37794333117887 47.867 > 12 71 Ti 0.48992507515667 0.68076980244939 0.71127666451220 47.867 > 12 72 Ti 0.98992507515667 0.68076980244939 0.71127666451220 47.867 > 12 *73 S 0.10496396541735 0.95138981056068 0.28854346775468 32.065 > 13 74 S 0.60496396541735 0.95138981056068 0.28854346775468 32.065 > 13 75 S 0.10496396541735 0.95138981056068 0.62187680108801 32.065 > 13 76 S 0.60496396541735 0.95138981056068 0.62187680108801 32.065 > 13 77 S 0.10496396541735 0.95138981056068 0.95521013442135 32.065 > 13 78 S 0.60496396541735 0.95138981056068 0.95521013442135 32.065 > 13 *79 S 0.19399584908664 0.35759142901172 0.31847448969745 32.065 > 14 80 S 0.69399584908664 0.35759142901172 0.31847448969745 32.065 > 14 81 S 0.19399584908664 0.35759142901172 0.65180782303078 32.065 > 14 82 S 0.69399584908664 0.35759142901172 0.65180782303078 32.065 > 14 83 S 0.19399584908664 0.35759142901172 0.98514115636412 32.065 > 14 84 S 0.69399584908664 0.35759142901172 0.98514115636412 32.065 > 14 85 S 0.10496396541735 0.54861018943932 0.12187680108801 32.065 > 15 86 S 0.60496396541735 0.54861018943932 0.12187680108801 32.065 > 15 87 S 0.10496396541735 0.54861018943932 0.45521013442135 32.065 > 15 88 S 0.60496396541735 0.54861018943932 0.45521013442135 32.065 > 15 89 S 0.10496396541735 0.54861018943932 0.78854346775468 32.065 > 15 90 S 0.60496396541735 0.54861018943932 0.78854346775468 32.065 > 15 91 S 0.19399584908664 0.14240857098828 0.15180782303078 32.065 > 16 92 S 0.69399584908664 0.14240857098828 0.15180782303078 32.065 > 16 93 S 0.19399584908664 0.14240857098828 0.48514115636412 32.065 > 16 94 S 0.69399584908664 0.14240857098828 0.48514115636412 32.065 > 16 95 S 0.19399584908664 0.14240857098828 0.81847448969745 32.065 > 16 96 S 0.69399584908664 0.14240857098828 0.81847448969745 32.065 > 16 97 S 0.30600415091336 0.85759142901172 0.18152551030255 32.065 > 17 98 S 0.80600415091336 0.85759142901172 0.18152551030255 32.065 > 17 99 S 0.30600415091336 0.85759142901172 0.51485884363588 32.065 > 17 100 S 0.80600415091336 0.85759142901172 0.51485884363588 32.065 > 17 101 S 0.30600415091336 0.85759142901172 0.84819217696922 32.065 > 17 102 S 0.80600415091336 0.85759142901172 0.84819217696922 32.065 > 17 103 S 0.39503603458265 0.45138981056069 0.21145653224532 32.065 > 18 104 S 0.89503603458265 0.45138981056069 0.21145653224532 32.065 > 18 105 S 0.39503603458265 0.45138981056069 0.54478986557865 32.065 > 18 106 S 0.89503603458265 0.45138981056069 0.54478986557865 32.065 > 18 107 S 0.39503603458265 0.45138981056069 0.87812319891199 32.065 > 18 108 S 0.89503603458265 0.45138981056069 0.87812319891199 32.065 > 18 109 S 0.30600415091336 0.64240857098828 0.01485884363588 32.065 > 19 110 S 0.80600415091336 0.64240857098828 0.01485884363588 32.065 > 19 111 S 0.30600415091336 0.64240857098828 0.34819217696922 32.065 > 19 112 S 0.80600415091336 0.64240857098828 0.34819217696922 32.065 > 19 113 S 0.30600415091336 0.64240857098828 0.68152551030255 32.065 > 19 114 S 0.80600415091336 0.64240857098828 0.68152551030255 32.065 > 19 115 S 0.39503603458265 0.04861018943931 0.04478986557865 32.065 > 20 116 S 0.89503603458265 0.04861018943931 0.04478986557865 32.065 > 20 117 S 0.39503603458265 0.04861018943931 0.37812319891199 32.065 > 20 118 S 0.89503603458265 0.04861018943931 0.37812319891199 32.065 > 20 119 S 0.39503603458265 0.04861018943931 0.71145653224532 32.065 > 20 120 S 0.89503603458265 0.04861018943931 0.71145653224532 32.065 > 20 *121 O 0.01278735333147 0.69171027159483 0.27391519530776 15.999 > 21 122 O 0.51278735333147 0.69171027159483 0.27391519530776 15.999 > 21 123 O 0.01278735333147 0.69171027159483 0.60724852864109 15.999 > 21 124 O 0.51278735333147 0.69171027159483 0.60724852864109 15.999 > 21 125 O 0.01278735333147 0.69171027159483 0.94058186197443 15.999 > 21 126 O 0.51278735333147 0.69171027159483 0.94058186197443 15.999 > 21 127 O 0.01278735333147 0.80828972840517 0.10724852864109 15.999 > 22 128 O 0.51278735333147 0.80828972840517 0.10724852864109 15.999 > 22 129 O 0.01278735333147 0.80828972840517 0.44058186197443 15.999 > 22 130 O 0.51278735333147 0.80828972840517 0.44058186197443 15.999 > 22 131 O 0.01278735333147 0.80828972840517 0.77391519530776 15.999 > 22 132 O 0.51278735333147 0.80828972840517 0.77391519530776 15.999 > 22 133 O 0.48721264666853 0.19171027159483 0.22608480469224 15.999 > 23 134 O 0.98721264666853 0.19171027159483 0.22608480469224 15.999 > 23 135 O 0.48721264666853 0.19171027159483 0.55941813802557 15.999 > 23 136 O 0.98721264666853 0.19171027159483 0.55941813802557 15.999 > 23 137 O 0.48721264666853 0.19171027159483 0.89275147135891 15.999 > 23 138 O 0.98721264666853 0.19171027159483 0.89275147135891 15.999 > 23 139 O 0.48721264666853 0.30828972840517 0.05941813802557 15.999 > 24 140 O 0.98721264666853 0.30828972840517 0.05941813802557 15.999 > 24 141 O 0.48721264666853 0.30828972840517 0.39275147135891 15.999 > 24 142 O 0.98721264666853 0.30828972840517 0.39275147135891 15.999 > 24 143 O 0.48721264666853 0.30828972840517 0.72608480469224 15.999 > 24 144 O 0.98721264666853 0.30828972840517 0.72608480469224 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6534355 0.0000000 0.4189817 0.0000000 5.3670025 0.0000000 0.4190698 0.0000000 5.1996508 -------------------------- Born effective charges -------------------------- 1 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 2 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 3 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 4 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 5 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 6 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 7 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 8 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 9 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 10 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 11 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 12 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 13 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 14 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 15 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 16 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 17 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 18 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 19 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 20 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 21 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 22 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 23 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 24 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.455 Solver_block: 200 / 720 - Time: 1.429 Solver_block: 300 / 720 - Time: 1.425 Solver_block: 400 / 720 - Time: 1.414 Solver_block: 500 / 720 - Time: 1.418 Solver_block: 600 / 720 - Time: 1.407 Solver_block: 700 / 720 - Time: 1.424 Solver_block: 720 / 720 - Time: 0.404 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 01:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:28:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.314912620753145 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -2.246862306790174 0.000000000000000 4.997704739168817 Atomic positions (fractional): 1 Li 0.20338373034945 0.55359552522030 0.82329772942253 6.941 2 Li 0.39995934007135 0.14028326537627 0.94935508885040 6.941 3 Li 0.20338373034945 0.94640447477970 0.32329772942253 6.941 4 Li 0.39995934007135 0.35971673462373 0.44935508885040 6.941 5 Li 0.60004065992864 0.64028326537627 0.55064491114960 6.941 6 Li 0.79661626965055 0.05359552522030 0.67670227057747 6.941 7 Li 0.60004065992864 0.85971673462373 0.05064491114960 6.941 8 Li 0.79661626965055 0.44640447477970 0.17670227057747 6.941 9 Ti 0.02014984968666 0.31923019755061 0.86617000646340 47.867 10 Ti 0.02014984968666 0.18076980244939 0.36617000646340 47.867 11 Ti 0.97985015031334 0.81923019755061 0.63382999353660 47.867 12 Ti 0.97985015031334 0.68076980244939 0.13382999353660 47.867 13 S 0.20992793083470 0.95138981056068 0.86563040326404 32.065 14 S 0.38799169817328 0.35759142901172 0.95542346909235 32.065 15 S 0.20992793083470 0.54861018943932 0.36563040326404 32.065 16 S 0.38799169817328 0.14240857098828 0.45542346909235 32.065 17 S 0.61200830182672 0.85759142901172 0.54457653090765 32.065 18 S 0.79007206916530 0.45138981056069 0.63436959673596 32.065 19 S 0.61200830182672 0.64240857098828 0.04457653090765 32.065 20 S 0.79007206916530 0.04861018943931 0.13436959673596 32.065 21 O 0.02557470666293 0.69171027159483 0.82174558592328 15.999 22 O 0.02557470666293 0.80828972840517 0.32174558592328 15.999 23 O 0.97442529333707 0.19171027159483 0.67825441407672 15.999 24 O 0.97442529333707 0.30828972840517 0.17825441407672 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.629825241506291 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -6.740586920370522 0.000000000000000 14.993114217506452 Atomic positions (fractional): 1 Li 0.10169186517472 0.55359552522030 0.27443257647418 6.941 > 1 2 Li 0.60169186517472 0.55359552522030 0.27443257647418 6.941 > 1 3 Li 0.10169186517472 0.55359552522030 0.60776590980751 6.941 > 1 4 Li 0.60169186517472 0.55359552522030 0.60776590980751 6.941 > 1 5 Li 0.10169186517472 0.55359552522030 0.94109924314084 6.941 > 1 6 Li 0.60169186517472 0.55359552522030 0.94109924314084 6.941 > 1 7 Li 0.19997967003568 0.14028326537627 0.31645169628347 6.941 > 7 8 Li 0.69997967003568 0.14028326537627 0.31645169628347 6.941 > 7 9 Li 0.19997967003568 0.14028326537627 0.64978502961680 6.941 > 7 10 Li 0.69997967003568 0.14028326537627 0.64978502961680 6.941 > 7 11 Li 0.19997967003568 0.14028326537627 0.98311836295013 6.941 > 7 12 Li 0.69997967003568 0.14028326537627 0.98311836295013 6.941 > 7 13 Li 0.10169186517472 0.94640447477970 0.10776590980751 6.941 > 13 14 Li 0.60169186517472 0.94640447477970 0.10776590980751 6.941 > 13 15 Li 0.10169186517472 0.94640447477970 0.44109924314084 6.941 > 13 16 Li 0.60169186517472 0.94640447477970 0.44109924314084 6.941 > 13 17 Li 0.10169186517472 0.94640447477970 0.77443257647418 6.941 > 13 18 Li 0.60169186517472 0.94640447477970 0.77443257647418 6.941 > 13 19 Li 0.19997967003568 0.35971673462373 0.14978502961680 6.941 > 19 20 Li 0.69997967003568 0.35971673462373 0.14978502961680 6.941 > 19 21 Li 0.19997967003568 0.35971673462373 0.48311836295013 6.941 > 19 22 Li 0.69997967003568 0.35971673462373 0.48311836295013 6.941 > 19 23 Li 0.19997967003568 0.35971673462373 0.81645169628347 6.941 > 19 24 Li 0.69997967003568 0.35971673462373 0.81645169628347 6.941 > 19 25 Li 0.30002032996432 0.64028326537627 0.18354830371653 6.941 > 25 26 Li 0.80002032996432 0.64028326537627 0.18354830371653 6.941 > 25 27 Li 0.30002032996432 0.64028326537627 0.51688163704987 6.941 > 25 28 Li 0.80002032996432 0.64028326537627 0.51688163704987 6.941 > 25 29 Li 0.30002032996432 0.64028326537627 0.85021497038320 6.941 > 25 30 Li 0.80002032996432 0.64028326537627 0.85021497038320 6.941 > 25 31 Li 0.39830813482528 0.05359552522030 0.22556742352582 6.941 > 31 32 Li 0.89830813482528 0.05359552522030 0.22556742352582 6.941 > 31 33 Li 0.39830813482528 0.05359552522030 0.55890075685916 6.941 > 31 34 Li 0.89830813482528 0.05359552522030 0.55890075685916 6.941 > 31 35 Li 0.39830813482528 0.05359552522030 0.89223409019249 6.941 > 31 36 Li 0.89830813482528 0.05359552522030 0.89223409019249 6.941 > 31 37 Li 0.30002032996432 0.85971673462373 0.01688163704987 6.941 > 37 38 Li 0.80002032996432 0.85971673462373 0.01688163704987 6.941 > 37 39 Li 0.30002032996432 0.85971673462373 0.35021497038320 6.941 > 37 40 Li 0.80002032996432 0.85971673462373 0.35021497038320 6.941 > 37 41 Li 0.30002032996432 0.85971673462373 0.68354830371653 6.941 > 37 42 Li 0.80002032996432 0.85971673462373 0.68354830371653 6.941 > 37 43 Li 0.39830813482528 0.44640447477970 0.05890075685916 6.941 > 43 44 Li 0.89830813482528 0.44640447477970 0.05890075685916 6.941 > 43 45 Li 0.39830813482528 0.44640447477970 0.39223409019249 6.941 > 43 46 Li 0.89830813482528 0.44640447477970 0.39223409019249 6.941 > 43 47 Li 0.39830813482528 0.44640447477970 0.72556742352582 6.941 > 43 48 Li 0.89830813482528 0.44640447477970 0.72556742352582 6.941 > 43 49 Ti 0.01007492484333 0.31923019755061 0.28872333548780 47.867 > 49 50 Ti 0.51007492484333 0.31923019755061 0.28872333548780 47.867 > 49 51 Ti 0.01007492484333 0.31923019755061 0.62205666882113 47.867 > 49 52 Ti 0.51007492484333 0.31923019755061 0.62205666882113 47.867 > 49 53 Ti 0.01007492484333 0.31923019755061 0.95539000215447 47.867 > 49 54 Ti 0.51007492484333 0.31923019755061 0.95539000215447 47.867 > 49 55 Ti 0.01007492484333 0.18076980244939 0.12205666882113 47.867 > 55 56 Ti 0.51007492484333 0.18076980244939 0.12205666882113 47.867 > 55 57 Ti 0.01007492484333 0.18076980244939 0.45539000215447 47.867 > 55 58 Ti 0.51007492484333 0.18076980244939 0.45539000215447 47.867 > 55 59 Ti 0.01007492484333 0.18076980244939 0.78872333548780 47.867 > 55 60 Ti 0.51007492484333 0.18076980244939 0.78872333548780 47.867 > 55 61 Ti 0.48992507515667 0.81923019755061 0.21127666451220 47.867 > 61 62 Ti 0.98992507515667 0.81923019755061 0.21127666451220 47.867 > 61 63 Ti 0.48992507515667 0.81923019755061 0.54460999784553 47.867 > 61 64 Ti 0.98992507515667 0.81923019755061 0.54460999784553 47.867 > 61 65 Ti 0.48992507515667 0.81923019755061 0.87794333117887 47.867 > 61 66 Ti 0.98992507515667 0.81923019755061 0.87794333117887 47.867 > 61 67 Ti 0.48992507515667 0.68076980244939 0.04460999784553 47.867 > 67 68 Ti 0.98992507515667 0.68076980244939 0.04460999784553 47.867 > 67 69 Ti 0.48992507515667 0.68076980244939 0.37794333117887 47.867 > 67 70 Ti 0.98992507515667 0.68076980244939 0.37794333117887 47.867 > 67 71 Ti 0.48992507515667 0.68076980244939 0.71127666451220 47.867 > 67 72 Ti 0.98992507515667 0.68076980244939 0.71127666451220 47.867 > 67 73 S 0.10496396541735 0.95138981056068 0.28854346775468 32.065 > 73 74 S 0.60496396541735 0.95138981056068 0.28854346775468 32.065 > 73 75 S 0.10496396541735 0.95138981056068 0.62187680108801 32.065 > 73 76 S 0.60496396541735 0.95138981056068 0.62187680108801 32.065 > 73 77 S 0.10496396541735 0.95138981056068 0.95521013442135 32.065 > 73 78 S 0.60496396541735 0.95138981056068 0.95521013442135 32.065 > 73 79 S 0.19399584908664 0.35759142901172 0.31847448969745 32.065 > 79 80 S 0.69399584908664 0.35759142901172 0.31847448969745 32.065 > 79 81 S 0.19399584908664 0.35759142901172 0.65180782303078 32.065 > 79 82 S 0.69399584908664 0.35759142901172 0.65180782303078 32.065 > 79 83 S 0.19399584908664 0.35759142901172 0.98514115636412 32.065 > 79 84 S 0.69399584908664 0.35759142901172 0.98514115636412 32.065 > 79 85 S 0.10496396541735 0.54861018943932 0.12187680108801 32.065 > 85 86 S 0.60496396541735 0.54861018943932 0.12187680108801 32.065 > 85 87 S 0.10496396541735 0.54861018943932 0.45521013442135 32.065 > 85 88 S 0.60496396541735 0.54861018943932 0.45521013442135 32.065 > 85 89 S 0.10496396541735 0.54861018943932 0.78854346775468 32.065 > 85 90 S 0.60496396541735 0.54861018943932 0.78854346775468 32.065 > 85 91 S 0.19399584908664 0.14240857098828 0.15180782303078 32.065 > 91 92 S 0.69399584908664 0.14240857098828 0.15180782303078 32.065 > 91 93 S 0.19399584908664 0.14240857098828 0.48514115636412 32.065 > 91 94 S 0.69399584908664 0.14240857098828 0.48514115636412 32.065 > 91 95 S 0.19399584908664 0.14240857098828 0.81847448969745 32.065 > 91 96 S 0.69399584908664 0.14240857098828 0.81847448969745 32.065 > 91 97 S 0.30600415091336 0.85759142901172 0.18152551030255 32.065 > 97 98 S 0.80600415091336 0.85759142901172 0.18152551030255 32.065 > 97 99 S 0.30600415091336 0.85759142901172 0.51485884363588 32.065 > 97 100 S 0.80600415091336 0.85759142901172 0.51485884363588 32.065 > 97 101 S 0.30600415091336 0.85759142901172 0.84819217696922 32.065 > 97 102 S 0.80600415091336 0.85759142901172 0.84819217696922 32.065 > 97 103 S 0.39503603458265 0.45138981056069 0.21145653224532 32.065 > 103 104 S 0.89503603458265 0.45138981056069 0.21145653224532 32.065 > 103 105 S 0.39503603458265 0.45138981056069 0.54478986557865 32.065 > 103 106 S 0.89503603458265 0.45138981056069 0.54478986557865 32.065 > 103 107 S 0.39503603458265 0.45138981056069 0.87812319891199 32.065 > 103 108 S 0.89503603458265 0.45138981056069 0.87812319891199 32.065 > 103 109 S 0.30600415091336 0.64240857098828 0.01485884363588 32.065 > 109 110 S 0.80600415091336 0.64240857098828 0.01485884363588 32.065 > 109 111 S 0.30600415091336 0.64240857098828 0.34819217696922 32.065 > 109 112 S 0.80600415091336 0.64240857098828 0.34819217696922 32.065 > 109 113 S 0.30600415091336 0.64240857098828 0.68152551030255 32.065 > 109 114 S 0.80600415091336 0.64240857098828 0.68152551030255 32.065 > 109 115 S 0.39503603458265 0.04861018943931 0.04478986557865 32.065 > 115 116 S 0.89503603458265 0.04861018943931 0.04478986557865 32.065 > 115 117 S 0.39503603458265 0.04861018943931 0.37812319891199 32.065 > 115 118 S 0.89503603458265 0.04861018943931 0.37812319891199 32.065 > 115 119 S 0.39503603458265 0.04861018943931 0.71145653224532 32.065 > 115 120 S 0.89503603458265 0.04861018943931 0.71145653224532 32.065 > 115 121 O 0.01278735333147 0.69171027159483 0.27391519530776 15.999 > 121 122 O 0.51278735333147 0.69171027159483 0.27391519530776 15.999 > 121 123 O 0.01278735333147 0.69171027159483 0.60724852864109 15.999 > 121 124 O 0.51278735333147 0.69171027159483 0.60724852864109 15.999 > 121 125 O 0.01278735333147 0.69171027159483 0.94058186197443 15.999 > 121 126 O 0.51278735333147 0.69171027159483 0.94058186197443 15.999 > 121 127 O 0.01278735333147 0.80828972840517 0.10724852864109 15.999 > 127 128 O 0.51278735333147 0.80828972840517 0.10724852864109 15.999 > 127 129 O 0.01278735333147 0.80828972840517 0.44058186197443 15.999 > 127 130 O 0.51278735333147 0.80828972840517 0.44058186197443 15.999 > 127 131 O 0.01278735333147 0.80828972840517 0.77391519530776 15.999 > 127 132 O 0.51278735333147 0.80828972840517 0.77391519530776 15.999 > 127 133 O 0.48721264666853 0.19171027159483 0.22608480469224 15.999 > 133 134 O 0.98721264666853 0.19171027159483 0.22608480469224 15.999 > 133 135 O 0.48721264666853 0.19171027159483 0.55941813802557 15.999 > 133 136 O 0.98721264666853 0.19171027159483 0.55941813802557 15.999 > 133 137 O 0.48721264666853 0.19171027159483 0.89275147135891 15.999 > 133 138 O 0.98721264666853 0.19171027159483 0.89275147135891 15.999 > 133 139 O 0.48721264666853 0.30828972840517 0.05941813802557 15.999 > 139 140 O 0.98721264666853 0.30828972840517 0.05941813802557 15.999 > 139 141 O 0.48721264666853 0.30828972840517 0.39275147135891 15.999 > 139 142 O 0.98721264666853 0.30828972840517 0.39275147135891 15.999 > 139 143 O 0.48721264666853 0.30828972840517 0.72608480469224 15.999 > 139 144 O 0.98721264666853 0.30828972840517 0.72608480469224 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6534355 0.0000000 0.4189817 0.0000000 5.3670025 0.0000000 0.4190698 0.0000000 5.1996508 -------------------------- Born effective charges -------------------------- 1 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 2 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 3 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 4 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 5 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 6 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 7 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 8 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 9 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 10 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 11 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 12 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 13 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 14 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 15 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 16 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 17 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 18 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 19 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 20 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 21 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 22 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 23 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 24 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 7, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 79, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 121, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:29:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:29:06]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.314912620753145 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -2.246862306790174 0.000000000000000 4.997704739168817 Atomic positions (fractional): 1 Li 0.20338373034945 0.55359552522030 0.82329772942253 6.941 2 Li 0.39995934007135 0.14028326537627 0.94935508885040 6.941 3 Li 0.20338373034945 0.94640447477970 0.32329772942253 6.941 4 Li 0.39995934007135 0.35971673462373 0.44935508885040 6.941 5 Li 0.60004065992864 0.64028326537627 0.55064491114960 6.941 6 Li 0.79661626965055 0.05359552522030 0.67670227057747 6.941 7 Li 0.60004065992864 0.85971673462373 0.05064491114960 6.941 8 Li 0.79661626965055 0.44640447477970 0.17670227057747 6.941 9 Ti 0.02014984968666 0.31923019755061 0.86617000646340 47.867 10 Ti 0.02014984968666 0.18076980244939 0.36617000646340 47.867 11 Ti 0.97985015031334 0.81923019755061 0.63382999353660 47.867 12 Ti 0.97985015031334 0.68076980244939 0.13382999353660 47.867 13 S 0.20992793083470 0.95138981056068 0.86563040326404 32.065 14 S 0.38799169817328 0.35759142901172 0.95542346909235 32.065 15 S 0.20992793083470 0.54861018943932 0.36563040326404 32.065 16 S 0.38799169817328 0.14240857098828 0.45542346909235 32.065 17 S 0.61200830182672 0.85759142901172 0.54457653090765 32.065 18 S 0.79007206916530 0.45138981056069 0.63436959673596 32.065 19 S 0.61200830182672 0.64240857098828 0.04457653090765 32.065 20 S 0.79007206916530 0.04861018943931 0.13436959673596 32.065 21 O 0.02557470666293 0.69171027159483 0.82174558592328 15.999 22 O 0.02557470666293 0.80828972840517 0.32174558592328 15.999 23 O 0.97442529333707 0.19171027159483 0.67825441407672 15.999 24 O 0.97442529333707 0.30828972840517 0.17825441407672 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.629825241506291 0.000000000000000 0.000000000000000 b 0.000000000000000 12.413835479999999 0.000000000000000 c -6.740586920370522 0.000000000000000 14.993114217506452 Atomic positions (fractional): 1 Li 0.10169186517472 0.55359552522030 0.27443257647418 6.941 > 1 2 Li 0.60169186517472 0.55359552522030 0.27443257647418 6.941 > 1 3 Li 0.10169186517472 0.55359552522030 0.60776590980751 6.941 > 1 4 Li 0.60169186517472 0.55359552522030 0.60776590980751 6.941 > 1 5 Li 0.10169186517472 0.55359552522030 0.94109924314084 6.941 > 1 6 Li 0.60169186517472 0.55359552522030 0.94109924314084 6.941 > 1 7 Li 0.19997967003568 0.14028326537627 0.31645169628347 6.941 > 7 8 Li 0.69997967003568 0.14028326537627 0.31645169628347 6.941 > 7 9 Li 0.19997967003568 0.14028326537627 0.64978502961680 6.941 > 7 10 Li 0.69997967003568 0.14028326537627 0.64978502961680 6.941 > 7 11 Li 0.19997967003568 0.14028326537627 0.98311836295013 6.941 > 7 12 Li 0.69997967003568 0.14028326537627 0.98311836295013 6.941 > 7 13 Li 0.10169186517472 0.94640447477970 0.10776590980751 6.941 > 13 14 Li 0.60169186517472 0.94640447477970 0.10776590980751 6.941 > 13 15 Li 0.10169186517472 0.94640447477970 0.44109924314084 6.941 > 13 16 Li 0.60169186517472 0.94640447477970 0.44109924314084 6.941 > 13 17 Li 0.10169186517472 0.94640447477970 0.77443257647418 6.941 > 13 18 Li 0.60169186517472 0.94640447477970 0.77443257647418 6.941 > 13 19 Li 0.19997967003568 0.35971673462373 0.14978502961680 6.941 > 19 20 Li 0.69997967003568 0.35971673462373 0.14978502961680 6.941 > 19 21 Li 0.19997967003568 0.35971673462373 0.48311836295013 6.941 > 19 22 Li 0.69997967003568 0.35971673462373 0.48311836295013 6.941 > 19 23 Li 0.19997967003568 0.35971673462373 0.81645169628347 6.941 > 19 24 Li 0.69997967003568 0.35971673462373 0.81645169628347 6.941 > 19 25 Li 0.30002032996432 0.64028326537627 0.18354830371653 6.941 > 25 26 Li 0.80002032996432 0.64028326537627 0.18354830371653 6.941 > 25 27 Li 0.30002032996432 0.64028326537627 0.51688163704987 6.941 > 25 28 Li 0.80002032996432 0.64028326537627 0.51688163704987 6.941 > 25 29 Li 0.30002032996432 0.64028326537627 0.85021497038320 6.941 > 25 30 Li 0.80002032996432 0.64028326537627 0.85021497038320 6.941 > 25 31 Li 0.39830813482528 0.05359552522030 0.22556742352582 6.941 > 31 32 Li 0.89830813482528 0.05359552522030 0.22556742352582 6.941 > 31 33 Li 0.39830813482528 0.05359552522030 0.55890075685916 6.941 > 31 34 Li 0.89830813482528 0.05359552522030 0.55890075685916 6.941 > 31 35 Li 0.39830813482528 0.05359552522030 0.89223409019249 6.941 > 31 36 Li 0.89830813482528 0.05359552522030 0.89223409019249 6.941 > 31 37 Li 0.30002032996432 0.85971673462373 0.01688163704987 6.941 > 37 38 Li 0.80002032996432 0.85971673462373 0.01688163704987 6.941 > 37 39 Li 0.30002032996432 0.85971673462373 0.35021497038320 6.941 > 37 40 Li 0.80002032996432 0.85971673462373 0.35021497038320 6.941 > 37 41 Li 0.30002032996432 0.85971673462373 0.68354830371653 6.941 > 37 42 Li 0.80002032996432 0.85971673462373 0.68354830371653 6.941 > 37 43 Li 0.39830813482528 0.44640447477970 0.05890075685916 6.941 > 43 44 Li 0.89830813482528 0.44640447477970 0.05890075685916 6.941 > 43 45 Li 0.39830813482528 0.44640447477970 0.39223409019249 6.941 > 43 46 Li 0.89830813482528 0.44640447477970 0.39223409019249 6.941 > 43 47 Li 0.39830813482528 0.44640447477970 0.72556742352582 6.941 > 43 48 Li 0.89830813482528 0.44640447477970 0.72556742352582 6.941 > 43 49 Ti 0.01007492484333 0.31923019755061 0.28872333548780 47.867 > 49 50 Ti 0.51007492484333 0.31923019755061 0.28872333548780 47.867 > 49 51 Ti 0.01007492484333 0.31923019755061 0.62205666882113 47.867 > 49 52 Ti 0.51007492484333 0.31923019755061 0.62205666882113 47.867 > 49 53 Ti 0.01007492484333 0.31923019755061 0.95539000215447 47.867 > 49 54 Ti 0.51007492484333 0.31923019755061 0.95539000215447 47.867 > 49 55 Ti 0.01007492484333 0.18076980244939 0.12205666882113 47.867 > 55 56 Ti 0.51007492484333 0.18076980244939 0.12205666882113 47.867 > 55 57 Ti 0.01007492484333 0.18076980244939 0.45539000215447 47.867 > 55 58 Ti 0.51007492484333 0.18076980244939 0.45539000215447 47.867 > 55 59 Ti 0.01007492484333 0.18076980244939 0.78872333548780 47.867 > 55 60 Ti 0.51007492484333 0.18076980244939 0.78872333548780 47.867 > 55 61 Ti 0.48992507515667 0.81923019755061 0.21127666451220 47.867 > 61 62 Ti 0.98992507515667 0.81923019755061 0.21127666451220 47.867 > 61 63 Ti 0.48992507515667 0.81923019755061 0.54460999784553 47.867 > 61 64 Ti 0.98992507515667 0.81923019755061 0.54460999784553 47.867 > 61 65 Ti 0.48992507515667 0.81923019755061 0.87794333117887 47.867 > 61 66 Ti 0.98992507515667 0.81923019755061 0.87794333117887 47.867 > 61 67 Ti 0.48992507515667 0.68076980244939 0.04460999784553 47.867 > 67 68 Ti 0.98992507515667 0.68076980244939 0.04460999784553 47.867 > 67 69 Ti 0.48992507515667 0.68076980244939 0.37794333117887 47.867 > 67 70 Ti 0.98992507515667 0.68076980244939 0.37794333117887 47.867 > 67 71 Ti 0.48992507515667 0.68076980244939 0.71127666451220 47.867 > 67 72 Ti 0.98992507515667 0.68076980244939 0.71127666451220 47.867 > 67 73 S 0.10496396541735 0.95138981056068 0.28854346775468 32.065 > 73 74 S 0.60496396541735 0.95138981056068 0.28854346775468 32.065 > 73 75 S 0.10496396541735 0.95138981056068 0.62187680108801 32.065 > 73 76 S 0.60496396541735 0.95138981056068 0.62187680108801 32.065 > 73 77 S 0.10496396541735 0.95138981056068 0.95521013442135 32.065 > 73 78 S 0.60496396541735 0.95138981056068 0.95521013442135 32.065 > 73 79 S 0.19399584908664 0.35759142901172 0.31847448969745 32.065 > 79 80 S 0.69399584908664 0.35759142901172 0.31847448969745 32.065 > 79 81 S 0.19399584908664 0.35759142901172 0.65180782303078 32.065 > 79 82 S 0.69399584908664 0.35759142901172 0.65180782303078 32.065 > 79 83 S 0.19399584908664 0.35759142901172 0.98514115636412 32.065 > 79 84 S 0.69399584908664 0.35759142901172 0.98514115636412 32.065 > 79 85 S 0.10496396541735 0.54861018943932 0.12187680108801 32.065 > 85 86 S 0.60496396541735 0.54861018943932 0.12187680108801 32.065 > 85 87 S 0.10496396541735 0.54861018943932 0.45521013442135 32.065 > 85 88 S 0.60496396541735 0.54861018943932 0.45521013442135 32.065 > 85 89 S 0.10496396541735 0.54861018943932 0.78854346775468 32.065 > 85 90 S 0.60496396541735 0.54861018943932 0.78854346775468 32.065 > 85 91 S 0.19399584908664 0.14240857098828 0.15180782303078 32.065 > 91 92 S 0.69399584908664 0.14240857098828 0.15180782303078 32.065 > 91 93 S 0.19399584908664 0.14240857098828 0.48514115636412 32.065 > 91 94 S 0.69399584908664 0.14240857098828 0.48514115636412 32.065 > 91 95 S 0.19399584908664 0.14240857098828 0.81847448969745 32.065 > 91 96 S 0.69399584908664 0.14240857098828 0.81847448969745 32.065 > 91 97 S 0.30600415091336 0.85759142901172 0.18152551030255 32.065 > 97 98 S 0.80600415091336 0.85759142901172 0.18152551030255 32.065 > 97 99 S 0.30600415091336 0.85759142901172 0.51485884363588 32.065 > 97 100 S 0.80600415091336 0.85759142901172 0.51485884363588 32.065 > 97 101 S 0.30600415091336 0.85759142901172 0.84819217696922 32.065 > 97 102 S 0.80600415091336 0.85759142901172 0.84819217696922 32.065 > 97 103 S 0.39503603458265 0.45138981056069 0.21145653224532 32.065 > 103 104 S 0.89503603458265 0.45138981056069 0.21145653224532 32.065 > 103 105 S 0.39503603458265 0.45138981056069 0.54478986557865 32.065 > 103 106 S 0.89503603458265 0.45138981056069 0.54478986557865 32.065 > 103 107 S 0.39503603458265 0.45138981056069 0.87812319891199 32.065 > 103 108 S 0.89503603458265 0.45138981056069 0.87812319891199 32.065 > 103 109 S 0.30600415091336 0.64240857098828 0.01485884363588 32.065 > 109 110 S 0.80600415091336 0.64240857098828 0.01485884363588 32.065 > 109 111 S 0.30600415091336 0.64240857098828 0.34819217696922 32.065 > 109 112 S 0.80600415091336 0.64240857098828 0.34819217696922 32.065 > 109 113 S 0.30600415091336 0.64240857098828 0.68152551030255 32.065 > 109 114 S 0.80600415091336 0.64240857098828 0.68152551030255 32.065 > 109 115 S 0.39503603458265 0.04861018943931 0.04478986557865 32.065 > 115 116 S 0.89503603458265 0.04861018943931 0.04478986557865 32.065 > 115 117 S 0.39503603458265 0.04861018943931 0.37812319891199 32.065 > 115 118 S 0.89503603458265 0.04861018943931 0.37812319891199 32.065 > 115 119 S 0.39503603458265 0.04861018943931 0.71145653224532 32.065 > 115 120 S 0.89503603458265 0.04861018943931 0.71145653224532 32.065 > 115 121 O 0.01278735333147 0.69171027159483 0.27391519530776 15.999 > 121 122 O 0.51278735333147 0.69171027159483 0.27391519530776 15.999 > 121 123 O 0.01278735333147 0.69171027159483 0.60724852864109 15.999 > 121 124 O 0.51278735333147 0.69171027159483 0.60724852864109 15.999 > 121 125 O 0.01278735333147 0.69171027159483 0.94058186197443 15.999 > 121 126 O 0.51278735333147 0.69171027159483 0.94058186197443 15.999 > 121 127 O 0.01278735333147 0.80828972840517 0.10724852864109 15.999 > 127 128 O 0.51278735333147 0.80828972840517 0.10724852864109 15.999 > 127 129 O 0.01278735333147 0.80828972840517 0.44058186197443 15.999 > 127 130 O 0.51278735333147 0.80828972840517 0.44058186197443 15.999 > 127 131 O 0.01278735333147 0.80828972840517 0.77391519530776 15.999 > 127 132 O 0.51278735333147 0.80828972840517 0.77391519530776 15.999 > 127 133 O 0.48721264666853 0.19171027159483 0.22608480469224 15.999 > 133 134 O 0.98721264666853 0.19171027159483 0.22608480469224 15.999 > 133 135 O 0.48721264666853 0.19171027159483 0.55941813802557 15.999 > 133 136 O 0.98721264666853 0.19171027159483 0.55941813802557 15.999 > 133 137 O 0.48721264666853 0.19171027159483 0.89275147135891 15.999 > 133 138 O 0.98721264666853 0.19171027159483 0.89275147135891 15.999 > 133 139 O 0.48721264666853 0.30828972840517 0.05941813802557 15.999 > 139 140 O 0.98721264666853 0.30828972840517 0.05941813802557 15.999 > 139 141 O 0.48721264666853 0.30828972840517 0.39275147135891 15.999 > 139 142 O 0.98721264666853 0.30828972840517 0.39275147135891 15.999 > 139 143 O 0.48721264666853 0.30828972840517 0.72608480469224 15.999 > 139 144 O 0.98721264666853 0.30828972840517 0.72608480469224 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6534355 0.0000000 0.4189817 0.0000000 5.3670025 0.0000000 0.4190698 0.0000000 5.1996508 -------------------------- Born effective charges -------------------------- 1 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 2 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 3 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 4 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 5 Li 1.1449769 0.2066009 -0.0389462 -0.0505940 1.2870521 -0.0149627 0.0738973 0.1212943 1.2858633 6 Li 1.2127936 -0.2834616 0.0385694 -0.1400002 1.2466048 -0.0379127 -0.0510143 -0.2105554 1.2217188 7 Li 1.1449769 -0.2066009 -0.0389462 0.0505940 1.2870521 0.0149627 0.0738973 -0.1212943 1.2858633 8 Li 1.2127936 0.2834616 0.0385694 0.1400002 1.2466048 0.0379127 -0.0510143 0.2105554 1.2217188 9 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 10 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 11 Ti 3.2618434 0.8110273 -0.2858849 -0.2365154 3.6354535 0.6138719 -0.1148518 -0.4029738 3.5790414 12 Ti 3.2618434 -0.8110273 -0.2858849 0.2365154 3.6354535 -0.6138719 -0.1148518 0.4029738 3.5790414 13 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 14 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 15 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 16 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 17 S -2.4784880 0.3921192 -0.2567106 0.1533516 -1.2678374 0.0873653 -0.4058839 0.1784418 -1.3749983 18 S -1.6709929 0.6550428 -0.6676837 0.5566727 -2.1089330 0.6617522 -0.4517378 0.4247277 -1.7107292 19 S -2.4784880 -0.3921192 -0.2567106 -0.1533516 -1.2678374 -0.0873653 -0.4058839 -0.1784418 -1.3749983 20 S -1.6709929 -0.6550428 -0.6676837 -0.5566727 -2.1089330 -0.6617522 -0.4517378 -0.4247277 -1.7107292 21 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 22 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 23 O -1.4701330 0.3865990 1.2106560 0.5664652 -2.7923401 -1.7760506 0.9495905 -1.3736293 -3.0008960 24 O -1.4701330 -0.3865990 1.2106560 -0.5664652 -2.7923401 1.7760506 0.9495905 1.3736293 -3.0008960 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 4 10 ] 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: 0.57, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/138) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 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 1.750 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 16.061 ( 0.000 0.000 0.000) 0.000 16.163 ( 0.000 0.000 0.000) 0.000 17.748 ( 0.000 0.000 0.000) 0.000 17.784 ( 0.000 0.000 0.000) 0.000 18.767 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 23.255 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/138) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 20.595 0.000 9.046) 22.494 0.518 ( 26.953 0.000 4.703) 27.361 0.829 ( 37.178 0.000 21.736) 43.066 1.770 ( 2.659 0.000 -1.017) 2.846 2.044 ( -1.921 0.000 -2.975) 3.541 2.174 ( 2.637 0.000 2.676) 3.758 2.585 ( 4.203 0.000 1.896) 4.611 2.677 ( -10.403 0.000 -17.589) 20.436 2.836 ( 2.193 0.000 -4.857) 5.329 3.266 ( -1.030 0.000 15.661) 15.695 3.275 ( 2.532 0.000 5.944) 6.461 3.440 ( 2.027 0.000 -1.755) 2.681 3.593 ( -7.979 0.000 4.698) 9.259 3.627 ( 10.027 0.000 7.690) 12.637 3.823 ( 4.663 0.000 -2.379) 5.234 4.080 ( -4.486 0.000 -4.729) 6.519 4.328 ( -0.483 0.000 0.071) 0.488 4.390 ( -4.649 0.000 -2.030) 5.073 4.428 ( -0.945 0.000 1.806) 2.038 4.657 ( -0.501 0.000 -7.984) 8.000 4.674 ( 2.124 0.000 1.271) 2.475 4.728 ( -0.365 0.000 -0.729) 0.816 4.951 ( -3.054 0.000 1.694) 3.493 5.014 ( -0.726 0.000 1.657) 1.810 5.092 ( -1.101 0.000 3.365) 3.540 5.155 ( 3.956 0.000 -3.351) 5.184 5.217 ( 2.684 0.000 -2.160) 3.445 5.313 ( 1.274 0.000 -0.866) 1.541 5.904 ( -1.435 0.000 -5.621) 5.801 5.971 ( 2.523 0.000 -1.146) 2.771 6.139 ( -1.248 0.000 10.024) 10.101 6.192 ( -3.370 0.000 1.409) 3.653 6.235 ( -7.018 0.000 -3.122) 7.682 6.312 ( -8.012 0.000 18.213) 19.897 6.417 ( 3.671 0.000 -0.323) 3.685 6.438 ( -0.922 0.000 0.686) 1.149 6.614 ( 1.819 0.000 -2.631) 3.199 6.707 ( 1.677 0.000 -2.107) 2.693 6.812 ( -5.353 0.000 10.257) 11.570 6.975 ( -0.391 0.000 1.274) 1.332 7.106 ( -6.004 0.000 6.875) 9.127 7.195 ( -1.579 0.000 0.927) 1.831 7.439 ( -5.811 0.000 1.617) 6.032 7.544 ( -0.132 0.000 -0.506) 0.523 7.763 ( 4.865 0.000 -3.855) 6.207 7.889 ( -7.231 0.000 -0.974) 7.296 8.107 ( 4.424 0.000 2.249) 4.963 8.612 ( -0.936 0.000 -1.481) 1.752 8.688 ( -0.372 0.000 -19.223) 19.227 8.842 ( -1.923 0.000 0.687) 2.042 9.029 ( -0.756 0.000 3.068) 3.159 9.140 ( -0.504 0.000 -1.580) 1.658 9.617 ( -3.173 0.000 -7.172) 7.843 9.751 ( 0.126 0.000 1.163) 1.170 9.984 ( -5.750 0.000 14.993) 16.058 10.008 ( -2.070 0.000 0.602) 2.155 13.061 ( -1.189 0.000 -1.010) 1.560 13.312 ( 1.203 0.000 1.128) 1.649 13.405 ( -2.654 0.000 2.419) 3.591 13.444 ( -11.143 0.000 -6.844) 13.077 14.068 ( 0.644 0.000 -0.004) 0.644 14.228 ( 13.094 0.000 7.083) 14.887 14.385 ( 4.821 0.000 3.164) 5.766 15.863 ( -10.184 0.000 19.019) 21.574 16.094 ( 4.334 0.000 -1.972) 4.761 16.320 ( 13.075 0.000 -28.978) 31.791 17.755 ( 0.895 0.000 -0.270) 0.935 17.798 ( 1.957 0.000 -0.874) 2.143 18.747 ( 1.738 0.000 -6.915) 7.130 18.861 ( 3.200 0.000 -2.046) 3.798 21.450 ( -2.021 0.000 -0.054) 2.022 23.099 ( -13.967 0.000 -6.278) 15.313 ======================= Grid point 2 (3/138) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 17.394 0.000 7.820) 19.071 1.012 ( 24.330 0.000 5.230) 24.885 1.603 ( 28.293 0.000 15.250) 32.141 1.860 ( 11.433 0.000 3.410) 11.931 2.041 ( 4.503 0.000 -1.603) 4.780 2.278 ( 5.781 0.000 4.729) 7.469 2.382 ( -6.862 0.000 -10.964) 12.934 2.733 ( 9.133 0.000 5.662) 10.746 2.903 ( 7.759 0.000 -4.889) 9.171 3.277 ( -4.266 0.000 -0.532) 4.299 3.376 ( 2.589 0.000 4.839) 5.488 3.466 ( -10.315 0.000 7.919) 13.005 3.500 ( -0.022 0.000 8.153) 8.153 3.764 ( 1.042 0.000 2.006) 2.261 3.909 ( 6.626 0.000 -3.206) 7.361 3.968 ( -3.059 0.000 -3.264) 4.474 4.254 ( -6.353 0.000 -6.609) 9.167 4.349 ( 2.401 0.000 2.975) 3.823 4.449 ( 0.090 0.000 4.146) 4.147 4.603 ( 1.369 0.000 -6.419) 6.564 4.712 ( -0.178 0.000 -2.010) 2.017 4.718 ( 0.279 0.000 2.882) 2.896 4.910 ( -2.555 0.000 1.668) 3.051 5.024 ( -0.089 0.000 1.076) 1.080 5.062 ( -5.381 0.000 3.754) 6.561 5.191 ( 2.436 0.000 -4.795) 5.378 5.245 ( 2.707 0.000 -3.237) 4.220 5.315 ( 0.058 0.000 -1.950) 1.951 5.861 ( 0.130 0.000 -2.352) 2.355 6.002 ( -0.600 0.000 2.740) 2.804 6.031 ( -10.522 0.000 0.899) 10.560 6.152 ( -2.310 0.000 2.285) 3.249 6.213 ( -0.325 0.000 5.569) 5.579 6.295 ( -5.346 0.000 7.851) 9.498 6.450 ( 2.078 0.000 1.132) 2.366 6.479 ( 2.532 0.000 0.328) 2.553 6.640 ( 4.551 0.000 -4.802) 6.616 6.717 ( 1.236 0.000 -2.183) 2.509 6.794 ( -3.169 0.000 3.643) 4.829 6.971 ( -1.248 0.000 1.026) 1.616 6.977 ( -12.958 0.000 4.803) 13.820 7.158 ( -2.505 0.000 -1.557) 2.950 7.366 ( -4.033 0.000 2.404) 4.696 7.530 ( -0.731 0.000 -0.467) 0.867 7.793 ( -4.302 0.000 5.543) 7.017 7.812 ( 4.200 0.000 -3.128) 5.237 8.178 ( 1.151 0.000 -0.991) 1.519 8.480 ( -7.945 0.000 -16.101) 17.955 8.585 ( -0.468 0.000 -0.691) 0.835 8.810 ( -1.897 0.000 0.314) 1.923 8.951 ( -6.744 0.000 -4.178) 7.934 9.136 ( -0.705 0.000 1.506) 1.663 9.488 ( -4.297 0.000 0.461) 4.321 9.766 ( 0.324 0.000 1.644) 1.676 9.963 ( -3.694 0.000 1.013) 3.831 10.061 ( 3.226 0.000 5.253) 6.165 13.022 ( -1.927 0.000 -1.357) 2.357 13.219 ( -8.001 0.000 -5.908) 9.946 13.338 ( 0.481 0.000 1.235) 1.325 13.371 ( -2.475 0.000 0.991) 2.666 14.067 ( -0.384 0.000 -0.157) 0.415 14.504 ( 4.634 0.000 3.694) 5.926 14.517 ( 12.464 0.000 6.313) 13.972 15.835 ( -5.017 0.000 8.479) 9.852 16.173 ( 6.222 0.000 -2.260) 6.620 16.324 ( 6.287 0.000 -13.072) 14.506 17.776 ( 1.898 0.000 -0.668) 2.012 17.835 ( 2.987 0.000 -0.995) 3.149 18.733 ( 2.703 0.000 -6.122) 6.692 18.891 ( 1.227 0.000 -0.737) 1.431 21.402 ( -3.169 0.000 -0.079) 3.170 22.722 ( -20.091 0.000 -8.852) 21.955 ======================= Grid point 3 (4/138) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 15.855 0.000 8.308) 17.900 1.434 ( 18.294 0.000 4.824) 18.920 1.864 ( 6.082 0.000 1.594) 6.287 2.157 ( 8.730 0.000 -1.384) 8.839 2.303 ( 2.379 0.000 -1.172) 2.652 2.314 ( 15.057 0.000 7.486) 16.816 2.495 ( 17.015 0.000 9.873) 19.672 2.968 ( 0.363 0.000 -0.725) 0.810 2.980 ( 11.626 0.000 8.528) 14.418 3.144 ( -3.742 0.000 -13.378) 13.892 3.311 ( -7.264 0.000 3.071) 7.886 3.507 ( 3.434 0.000 5.933) 6.855 3.542 ( -1.883 0.000 9.600) 9.783 3.755 ( -0.973 0.000 -0.313) 1.022 3.890 ( -2.931 0.000 -2.912) 4.131 4.016 ( 3.695 0.000 0.565) 3.738 4.113 ( -0.412 0.000 -6.928) 6.941 4.457 ( -3.016 0.000 2.485) 3.908 4.461 ( 6.429 0.000 4.533) 7.867 4.603 ( 2.118 0.000 -3.037) 3.703 4.694 ( 0.544 0.000 -2.019) 2.091 4.718 ( -3.003 0.000 4.212) 5.172 4.896 ( -0.403 0.000 0.587) 0.712 4.968 ( -7.503 0.000 1.918) 7.745 4.998 ( -3.095 0.000 -1.170) 3.309 5.129 ( -4.433 0.000 -7.445) 8.665 5.240 ( -1.065 0.000 -2.484) 2.703 5.308 ( 2.034 0.000 -3.043) 3.660 5.816 ( -5.463 0.000 0.203) 5.467 5.937 ( 0.108 0.000 1.435) 1.439 5.974 ( -3.326 0.000 0.131) 3.329 6.157 ( -1.251 0.000 5.774) 5.908 6.258 ( 1.537 0.000 3.469) 3.794 6.267 ( -2.729 0.000 3.914) 4.771 6.457 ( -6.237 0.000 -1.606) 6.441 6.522 ( 4.028 0.000 2.127) 4.555 6.688 ( 3.393 0.000 -4.591) 5.709 6.714 ( -0.352 0.000 -0.630) 0.722 6.744 ( 0.504 0.000 -2.205) 2.262 6.853 ( -4.212 0.000 5.815) 7.180 6.946 ( -1.821 0.000 -0.345) 1.853 7.100 ( -2.371 0.000 -1.173) 2.645 7.341 ( -1.404 0.000 3.441) 3.717 7.518 ( -0.268 0.000 -0.081) 0.280 7.798 ( -4.558 0.000 11.554) 12.420 7.867 ( 4.086 0.000 -1.912) 4.511 8.111 ( -5.205 0.000 -4.452) 6.850 8.161 ( -11.709 0.000 -16.337) 20.100 8.594 ( 0.857 0.000 1.084) 1.382 8.785 ( -0.701 0.000 -0.640) 0.949 8.823 ( -2.766 0.000 -3.962) 4.832 9.111 ( -3.310 0.000 1.563) 3.661 9.495 ( 2.191 0.000 2.286) 3.166 9.785 ( 0.451 0.000 1.214) 1.295 9.900 ( -4.126 0.000 1.036) 4.254 10.138 ( 2.175 0.000 1.439) 2.607 12.979 ( -1.738 0.000 -0.787) 1.907 13.075 ( -4.006 0.000 -4.034) 5.685 13.337 ( -1.617 0.000 0.585) 1.720 13.349 ( -0.431 0.000 0.603) 0.741 14.056 ( -0.617 0.000 -0.203) 0.650 14.587 ( 2.027 0.000 2.314) 3.076 14.744 ( 8.272 0.000 4.118) 9.240 15.825 ( -1.904 0.000 4.268) 4.673 16.263 ( 5.199 0.000 -1.285) 5.356 16.334 ( 3.691 0.000 -6.703) 7.652 17.808 ( 2.169 0.000 -0.712) 2.282 17.881 ( 2.736 0.000 -0.632) 2.808 18.745 ( 3.057 0.000 -3.813) 4.887 18.889 ( -0.591 0.000 -1.211) 1.348 21.346 ( -2.858 0.000 -0.060) 2.859 22.319 ( -16.826 0.000 -7.227) 18.313 ======================= Grid point 4 (5/138) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 9.141 0.000 5.474) 10.655 1.697 ( 7.256 0.000 2.248) 7.596 1.952 ( 2.495 0.000 0.699) 2.591 2.284 ( 4.994 0.000 -1.147) 5.124 2.363 ( 2.418 0.000 1.493) 2.842 2.466 ( 2.777 0.000 1.488) 3.151 2.836 ( 8.918 0.000 4.042) 9.791 2.861 ( -7.753 0.000 -1.500) 7.896 3.035 ( 1.323 0.000 -7.089) 7.211 3.147 ( -1.688 0.000 4.424) 4.735 3.360 ( 10.784 0.000 6.966) 12.838 3.567 ( -2.252 0.000 -3.463) 4.131 3.594 ( 0.045 0.000 5.021) 5.022 3.750 ( 0.674 0.000 -0.550) 0.869 3.793 ( -1.853 0.000 -1.374) 2.307 4.023 ( -1.243 0.000 -1.393) 1.867 4.178 ( 5.393 0.000 1.610) 5.628 4.394 ( -3.311 0.000 -0.193) 3.317 4.599 ( -0.069 0.000 -1.075) 1.078 4.617 ( 8.171 0.000 -1.051) 8.238 4.703 ( -4.239 0.000 8.216) 9.245 4.734 ( 4.070 0.000 0.608) 4.115 4.859 ( -4.725 0.000 1.558) 4.975 4.872 ( -1.957 0.000 -3.261) 3.803 4.926 ( -2.320 0.000 -0.337) 2.345 4.939 ( -8.103 0.000 -7.607) 11.114 5.199 ( -1.071 0.000 -1.262) 1.655 5.325 ( 1.350 0.000 -1.204) 1.809 5.740 ( -2.497 0.000 0.280) 2.513 5.922 ( -1.654 0.000 -0.386) 1.699 5.971 ( 1.123 0.000 0.840) 1.403 6.188 ( -0.127 0.000 5.221) 5.223 6.262 ( -0.912 0.000 1.834) 2.048 6.302 ( -4.909 0.000 -4.882) 6.923 6.310 ( 1.545 0.000 1.182) 1.945 6.594 ( 1.789 0.000 1.048) 2.074 6.696 ( 0.391 0.000 0.535) 0.662 6.703 ( -0.373 0.000 0.278) 0.466 6.793 ( 2.693 0.000 -1.894) 3.292 6.865 ( 1.451 0.000 1.608) 2.166 6.912 ( -1.089 0.000 -0.644) 1.265 7.064 ( -1.072 0.000 -0.001) 1.072 7.361 ( 0.368 0.000 2.117) 2.149 7.521 ( 0.281 0.000 0.384) 0.476 7.753 ( -8.516 0.000 6.649) 10.804 7.911 ( 1.883 0.000 -1.498) 2.407 7.934 ( -0.590 0.000 -8.450) 8.470 7.987 ( -3.826 0.000 -2.151) 4.389 8.613 ( 0.279 0.000 0.642) 0.700 8.775 ( 0.026 0.000 -0.485) 0.486 8.785 ( 0.013 0.000 -1.224) 1.224 9.066 ( -1.987 0.000 0.485) 2.045 9.551 ( 1.648 0.000 1.028) 1.942 9.800 ( 0.601 0.000 0.284) 0.664 9.846 ( -2.334 0.000 0.568) 2.402 10.164 ( 0.459 0.000 0.121) 0.474 12.956 ( -0.512 0.000 0.070) 0.517 13.007 ( -1.293 0.000 -1.735) 2.164 13.319 ( -0.583 0.000 0.162) 0.605 13.345 ( -0.275 0.000 0.189) 0.334 14.046 ( -0.298 0.000 -0.099) 0.314 14.618 ( 0.393 0.000 0.710) 0.811 14.865 ( 2.868 0.000 1.425) 3.203 15.830 ( -0.352 0.000 1.374) 1.418 16.320 ( 1.650 0.000 -0.308) 1.678 16.346 ( 1.638 0.000 -2.185) 2.731 17.833 ( 1.002 0.000 -0.295) 1.045 17.913 ( 1.119 0.000 -0.196) 1.136 18.775 ( 2.086 0.000 -1.169) 2.392 18.860 ( -1.291 0.000 -0.725) 1.481 21.309 ( -1.143 0.000 -0.018) 1.143 22.065 ( -6.526 0.000 -2.754) 7.083 ======================= Grid point 9 (6/138) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 25.039 0.000) 25.039 0.584 ( 0.000 28.889 0.000) 28.889 1.043 ( 0.000 47.590 0.000) 47.590 1.482 ( 0.000 -19.931 0.000) 19.931 1.749 ( 0.000 -22.933 0.000) 22.933 2.438 ( 0.000 18.910 0.000) 18.910 2.676 ( 0.000 11.080 0.000) 11.080 2.742 ( 0.000 -22.685 0.000) 22.685 3.026 ( 0.000 -9.924 0.000) 9.924 3.091 ( 0.000 16.755 0.000) 16.755 3.214 ( 0.000 -13.491 0.000) 13.491 3.270 ( 0.000 4.311 0.000) 4.311 3.400 ( 0.000 -5.003 0.000) 5.003 3.677 ( 0.000 -0.502 0.000) 0.502 3.901 ( 0.000 9.057 0.000) 9.057 4.128 ( 0.000 -1.024 0.000) 1.024 4.224 ( 0.000 -9.370 0.000) 9.370 4.371 ( 0.000 -6.506 0.000) 6.506 4.483 ( 0.000 3.518 0.000) 3.518 4.620 ( 0.000 -2.369 0.000) 2.369 4.713 ( 0.000 0.509 0.000) 0.509 4.735 ( 0.000 -0.220 0.000) 0.220 4.989 ( 0.000 -0.513 0.000) 0.513 4.991 ( 0.000 1.253 0.000) 1.253 5.088 ( 0.000 2.151 0.000) 2.151 5.129 ( 0.000 -0.517 0.000) 0.517 5.258 ( 0.000 -0.101 0.000) 0.101 5.271 ( 0.000 -1.464 0.000) 1.464 5.734 ( 0.000 10.722 0.000) 10.722 5.965 ( 0.000 1.118 0.000) 1.118 6.064 ( 0.000 -1.647 0.000) 1.647 6.162 ( 0.000 4.141 0.000) 4.141 6.201 ( 0.000 -9.176 0.000) 9.176 6.238 ( 0.000 -0.243 0.000) 0.243 6.397 ( 0.000 -0.464 0.000) 0.464 6.425 ( 0.000 -1.790 0.000) 1.790 6.591 ( 0.000 -3.244 0.000) 3.244 6.591 ( 0.000 -1.757 0.000) 1.757 7.006 ( 0.000 2.412 0.000) 2.412 7.069 ( 0.000 -1.354 0.000) 1.354 7.183 ( 0.000 2.817 0.000) 2.817 7.208 ( 0.000 0.917 0.000) 0.917 7.578 ( 0.000 4.593 0.000) 4.593 7.614 ( 0.000 -0.006 0.000) 0.006 7.722 ( 0.000 1.461 0.000) 1.461 7.934 ( 0.000 -3.909 0.000) 3.909 8.458 ( 0.000 5.433 0.000) 5.433 8.651 ( 0.000 2.299 0.000) 2.299 8.696 ( 0.000 -3.000 0.000) 3.000 8.860 ( 0.000 -9.239 0.000) 9.239 8.949 ( 0.000 1.703 0.000) 1.703 9.057 ( 0.000 -2.579 0.000) 2.579 9.350 ( 0.000 11.332 0.000) 11.332 9.749 ( 0.000 -7.440 0.000) 7.440 10.079 ( 0.000 3.977 0.000) 3.977 10.213 ( 0.000 -2.039 0.000) 2.039 13.283 ( 0.000 0.459 0.000) 0.459 13.294 ( 0.000 0.036 0.000) 0.036 13.543 ( 0.000 1.066 0.000) 1.066 13.610 ( 0.000 -1.562 0.000) 1.562 14.113 ( 0.000 2.125 0.000) 2.125 14.264 ( 0.000 -4.493 0.000) 4.493 14.497 ( 0.000 2.032 0.000) 2.032 14.515 ( 0.000 0.610 0.000) 0.610 16.076 ( 0.000 1.380 0.000) 1.380 16.148 ( 0.000 -1.420 0.000) 1.420 17.787 ( 0.000 0.342 0.000) 0.342 17.807 ( 0.000 -0.434 0.000) 0.434 18.776 ( 0.000 0.853 0.000) 0.853 18.821 ( 0.000 -0.901 0.000) 0.901 23.239 ( 0.000 0.264 0.000) 0.264 23.252 ( 0.000 -0.254 0.000) 0.254 ======================= Grid point 10 (7/138) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 15.058 17.736 7.949) 24.587 0.785 ( 14.657 18.430 12.821) 26.811 1.255 ( 19.036 32.290 4.800) 37.790 1.466 ( 1.764 -17.905 2.351) 18.144 1.832 ( 7.357 -17.935 4.104) 19.815 2.379 ( -2.999 16.611 -6.487) 18.083 2.619 ( -3.522 -1.112 -4.567) 5.873 2.689 ( -6.500 2.841 -9.411) 11.785 2.926 ( 5.062 -18.357 -2.120) 19.160 3.076 ( -1.831 10.116 5.348) 11.588 3.213 ( 0.066 -11.019 2.815) 11.373 3.425 ( 3.867 5.063 12.553) 14.077 3.498 ( 2.805 -6.706 3.096) 7.901 3.752 ( 4.252 3.495 7.998) 9.709 3.887 ( 0.416 7.228 -3.441) 8.016 4.067 ( -3.943 -0.857 -2.975) 5.013 4.236 ( 1.182 -7.607 -1.748) 7.894 4.334 ( -4.026 -6.590 -1.204) 7.816 4.472 ( -1.101 3.744 1.545) 4.197 4.620 ( -0.437 -2.876 -0.396) 2.936 4.682 ( 0.022 1.027 -3.864) 3.998 4.737 ( 0.885 -0.293 -1.419) 1.698 4.957 ( -3.572 0.295 1.280) 3.806 4.984 ( -2.058 -2.354 2.535) 4.025 5.108 ( -0.184 1.480 1.489) 2.107 5.154 ( 3.866 -0.036 -2.429) 4.566 5.262 ( 2.914 2.910 -2.484) 4.809 5.319 ( 3.151 0.118 -1.675) 3.571 5.835 ( 3.304 -2.057 0.584) 3.936 5.962 ( 0.533 0.161 3.033) 3.084 6.068 ( -2.747 -3.736 2.563) 5.299 6.104 ( -6.709 -5.226 3.702) 9.274 6.221 ( -0.159 1.349 5.173) 5.348 6.240 ( -0.924 -0.514 2.483) 2.699 6.392 ( -1.126 -1.620 2.451) 3.147 6.435 ( 1.423 -2.037 -1.627) 2.970 6.576 ( -1.891 -1.771 2.996) 3.961 6.619 ( 3.651 -3.857 -2.058) 5.696 6.969 ( -6.003 3.937 -2.194) 7.507 6.997 ( -3.104 1.515 3.727) 5.082 7.164 ( -3.278 3.434 1.430) 4.958 7.204 ( -1.011 0.831 0.150) 1.317 7.530 ( -4.897 6.029 1.892) 7.994 7.653 ( 3.298 3.235 -1.793) 4.956 7.785 ( 4.156 0.732 -2.068) 4.699 7.839 ( -6.202 -3.235 0.723) 7.033 8.351 ( -5.046 16.848 -0.524) 17.595 8.635 ( -0.948 2.118 -1.619) 2.830 8.700 ( -0.462 -0.273 -12.509) 12.521 8.843 ( -3.654 -0.776 -1.342) 3.969 9.029 ( 0.091 -0.727 0.872) 1.139 9.091 ( 5.130 -7.315 0.982) 8.989 9.402 ( 6.826 -5.416 5.512) 10.311 9.622 ( -10.395 -6.304 -2.406) 12.393 10.032 ( -3.810 2.079 0.178) 4.344 10.083 ( -8.404 1.713 2.174) 8.848 13.195 ( -5.492 6.427 -4.128) 9.408 13.304 ( 0.285 -0.845 -0.081) 0.895 13.421 ( -5.272 1.247 -0.537) 5.444 13.454 ( -10.297 0.403 -3.792) 10.980 14.103 ( -0.251 2.909 0.140) 2.923 14.243 ( 4.240 -1.620 2.944) 5.410 14.489 ( 10.671 11.554 6.440) 16.995 15.278 ( 23.933 -33.074 14.560) 43.344 16.107 ( 4.295 1.291 -2.110) 4.957 16.191 ( 7.064 -3.228 -6.383) 10.053 17.794 ( 0.364 0.852 -0.731) 1.181 17.802 ( 1.280 0.343 -1.056) 1.694 18.763 ( 1.555 1.510 -5.380) 5.800 18.843 ( 1.200 -1.632 1.167) 2.338 22.397 ( -42.079 43.788 -20.936) 64.237 23.062 ( -16.523 -3.973 -7.683) 18.650 ======================= Grid point 11 (8/138) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 17.711 15.733 10.046) 25.732 1.172 ( 18.863 13.526 5.898) 23.949 1.611 ( 10.265 -11.449 4.637) 16.061 1.701 ( 21.785 1.371 11.131) 24.502 2.048 ( 10.939 -5.984 6.118) 13.889 2.290 ( 0.345 9.510 -5.880) 11.186 2.414 ( -2.414 1.341 -9.965) 10.340 2.694 ( 3.735 -4.648 2.392) 6.425 3.031 ( 6.833 3.503 -6.130) 9.826 3.114 ( -0.648 -5.353 9.217) 10.679 3.286 ( 4.362 -8.508 6.958) 11.825 3.466 ( -6.453 -2.178 8.510) 10.900 3.598 ( 3.016 8.351 6.264) 10.866 3.800 ( -2.786 6.097 -1.551) 6.881 3.913 ( 4.658 -0.417 -2.124) 5.136 3.977 ( -3.008 0.761 -2.784) 4.169 4.184 ( -5.807 -6.079 -5.219) 9.895 4.288 ( 2.561 -6.762 0.940) 7.291 4.485 ( -0.298 3.000 4.009) 5.016 4.597 ( -0.012 -1.307 -2.565) 2.879 4.673 ( 0.313 -0.110 -0.346) 0.480 4.747 ( 0.857 -0.446 -0.891) 1.315 4.909 ( -2.598 -0.077 1.287) 2.901 4.972 ( -1.945 -3.700 2.503) 4.873 5.090 ( -2.318 2.384 -0.489) 3.361 5.184 ( 1.668 -0.956 -4.642) 5.025 5.291 ( 2.131 3.630 -2.604) 4.949 5.335 ( 0.059 1.589 -1.453) 2.154 5.855 ( 1.358 -0.701 -1.368) 2.051 5.948 ( -8.041 -5.271 0.921) 9.659 5.995 ( -0.350 -2.523 2.107) 3.306 6.085 ( -2.179 -3.503 5.469) 6.851 6.223 ( -1.695 0.939 2.294) 3.003 6.274 ( -1.438 1.145 7.568) 7.788 6.400 ( 0.145 -3.500 2.821) 4.498 6.439 ( -1.194 -4.841 0.587) 5.020 6.591 ( 4.223 -0.056 -3.223) 5.313 6.685 ( 3.920 -4.009 0.993) 5.695 6.866 ( -4.712 4.513 -0.723) 6.564 6.949 ( -6.416 0.344 5.023) 8.156 7.085 ( -4.327 4.938 -2.596) 7.060 7.160 ( -3.327 0.141 -2.193) 3.987 7.460 ( -5.025 6.552 3.281) 8.886 7.663 ( -1.186 4.424 -1.467) 4.809 7.762 ( -2.963 1.609 5.228) 6.221 7.841 ( 3.101 1.200 -2.033) 3.897 8.248 ( -5.705 8.058 -4.372) 10.798 8.490 ( -10.023 0.292 -14.484) 17.616 8.617 ( -0.227 3.087 -0.784) 3.193 8.783 ( -3.379 -2.532 0.529) 4.255 8.968 ( -3.079 1.927 -3.609) 5.120 9.144 ( 0.321 -0.485 1.549) 1.654 9.468 ( -2.727 -1.796 1.148) 3.462 9.603 ( 7.019 -12.782 3.603) 15.021 9.967 ( -4.089 0.546 1.013) 4.248 10.026 ( -1.306 -2.227 3.550) 4.390 13.085 ( -3.907 4.648 -2.910) 6.734 13.207 ( -7.060 -1.290 -5.446) 9.009 13.347 ( -0.701 0.776 1.039) 1.474 13.371 ( -2.667 -0.100 0.958) 2.836 14.106 ( 0.036 3.768 0.251) 3.776 14.350 ( 4.251 -7.295 2.852) 8.912 14.755 ( 11.505 15.385 6.967) 20.435 15.578 ( 4.708 -21.708 8.329) 23.723 16.183 ( 6.139 1.039 -2.577) 6.738 16.264 ( 6.860 -3.342 -7.317) 10.572 17.801 ( 1.517 1.586 -1.040) 2.429 17.833 ( 2.749 -0.244 -1.003) 2.936 18.755 ( 2.323 2.084 -4.984) 5.881 18.867 ( 1.015 -2.283 -0.538) 2.555 21.801 ( -17.345 30.530 -7.740) 35.956 22.636 ( -21.547 -8.825 -9.717) 25.231 ======================= Grid point 12 (9/138) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 15.182 18.727 8.378) 25.522 1.533 ( 16.813 9.191 4.277) 19.633 1.840 ( 10.207 -2.054 4.272) 11.254 2.090 ( 12.491 -10.699 6.832) 17.809 2.217 ( 5.670 -4.250 2.699) 7.583 2.317 ( 5.394 3.055 -2.422) 6.655 2.528 ( 14.506 1.897 3.211) 14.977 2.765 ( 1.842 -15.645 -0.058) 15.753 3.066 ( 1.171 7.331 -0.106) 7.425 3.194 ( 2.980 2.670 3.574) 5.365 3.391 ( -3.914 2.802 2.963) 5.653 3.434 ( 1.083 -4.689 5.255) 7.126 3.605 ( -3.821 4.786 2.299) 6.542 3.790 ( 3.192 5.983 0.062) 6.781 3.927 ( -3.155 2.964 1.742) 4.667 3.965 ( 4.377 -4.430 -3.408) 7.099 4.053 ( -0.372 -4.401 -5.432) 7.001 4.396 ( 6.624 -7.085 3.265) 10.234 4.497 ( -2.411 3.042 3.783) 5.420 4.591 ( 0.333 -1.289 -0.041) 1.332 4.681 ( 1.061 0.549 0.081) 1.197 4.740 ( -1.110 0.137 0.007) 1.119 4.883 ( -1.330 -0.945 -0.246) 1.650 4.929 ( -5.049 -2.928 1.848) 6.122 5.015 ( -4.734 1.573 -2.886) 5.763 5.114 ( -4.687 -1.757 -7.288) 8.842 5.271 ( -2.161 2.565 -2.105) 3.960 5.321 ( 0.392 0.820 -2.431) 2.595 5.815 ( -4.362 0.844 1.005) 4.555 5.915 ( 1.987 -1.577 1.473) 2.933 5.980 ( -2.075 -0.769 -0.183) 2.220 6.097 ( -1.133 -4.642 5.130) 7.010 6.215 ( -1.419 -1.609 2.046) 2.965 6.303 ( 0.653 2.519 3.216) 4.137 6.369 ( -6.721 -5.092 1.582) 8.579 6.466 ( 3.693 -4.843 2.320) 6.518 6.673 ( 7.851 1.086 -4.204) 8.972 6.739 ( -1.449 0.334 1.237) 1.934 6.793 ( -0.785 1.814 -0.233) 1.990 6.886 ( -4.021 1.946 5.095) 6.776 6.994 ( -2.611 3.548 -4.438) 6.253 7.077 ( -3.043 -1.364 -2.015) 3.896 7.422 ( -2.555 6.750 5.034) 8.799 7.628 ( -1.835 6.055 -0.420) 6.341 7.746 ( -5.642 -0.692 8.285) 10.048 7.893 ( 3.035 0.937 -0.591) 3.231 8.099 ( -5.081 -1.030 -6.556) 8.359 8.146 ( -13.675 -1.711 -13.944) 19.605 8.613 ( -0.056 1.741 -0.048) 1.743 8.717 ( -2.511 -3.372 -2.249) 4.768 8.941 ( 1.269 8.162 -0.975) 8.317 9.134 ( -2.365 1.428 1.399) 3.097 9.496 ( 2.534 0.291 2.204) 3.371 9.701 ( 2.481 -8.048 1.239) 8.512 9.908 ( -3.493 1.100 1.218) 3.859 10.058 ( 1.364 -5.988 2.254) 6.542 13.009 ( -2.599 2.375 -1.643) 3.886 13.071 ( -3.955 -0.490 -3.771) 5.487 13.337 ( -1.611 0.050 0.566) 1.709 13.345 ( -0.746 -0.305 0.573) 0.989 14.105 ( -0.268 4.755 0.055) 4.763 14.424 ( 2.067 -9.885 1.668) 10.236 14.970 ( 7.346 16.000 4.630) 18.205 15.673 ( 1.395 -14.024 4.598) 14.825 16.269 ( 5.075 0.571 -1.664) 5.371 16.313 ( 4.324 -1.528 -4.933) 6.735 17.827 ( 2.055 1.572 -0.832) 2.718 17.875 ( 2.618 -0.572 -0.674) 2.763 18.765 ( 2.475 1.900 -3.278) 4.526 18.867 ( -0.142 -2.064 -1.316) 2.452 21.547 ( -8.285 17.583 -2.983) 19.665 22.219 ( -16.762 -9.848 -7.266) 20.755 ======================= Grid point 13 (10/138) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 9.296 19.055 4.304) 21.634 1.779 ( 6.405 7.888 3.051) 10.609 1.995 ( 4.020 3.101 1.671) 5.345 2.250 ( 2.492 -4.904 2.588) 6.080 2.334 ( 3.508 -8.221 -1.702) 9.099 2.407 ( 5.719 3.714 2.368) 7.218 2.719 ( -2.765 -14.550 -2.290) 14.987 2.766 ( 5.451 -6.932 1.372) 8.924 3.094 ( 1.682 6.123 -0.034) 6.350 3.200 ( -3.009 4.478 1.827) 5.696 3.384 ( -0.904 -4.282 1.230) 4.546 3.431 ( 0.780 -5.845 2.252) 6.312 3.587 ( -2.027 3.957 -2.322) 5.016 3.847 ( 5.643 4.832 -4.974) 8.941 3.885 ( -3.394 5.855 5.960) 9.018 4.044 ( 3.515 3.856 0.391) 5.233 4.114 ( 5.282 -4.767 1.595) 7.291 4.461 ( -2.173 4.852 0.166) 5.318 4.521 ( 3.027 -7.095 0.997) 7.778 4.613 ( 2.447 -1.389 1.426) 3.154 4.709 ( -1.575 0.499 3.734) 4.083 4.733 ( 2.399 -0.320 -0.802) 2.549 4.843 ( -2.519 -1.351 0.295) 2.874 4.852 ( -3.587 -1.751 -0.323) 4.004 4.900 ( -4.168 -0.736 -3.238) 5.329 4.935 ( -6.523 -1.573 -5.873) 8.917 5.219 ( -1.395 1.803 -1.256) 2.603 5.306 ( -0.138 -1.739 -1.128) 2.078 5.779 ( -0.979 4.386 0.778) 4.561 5.941 ( -1.236 0.946 -0.463) 1.624 5.956 ( 1.109 -1.234 0.569) 1.754 6.132 ( 0.443 -5.507 5.648) 7.900 6.194 ( -1.288 -4.479 -3.013) 5.550 6.259 ( -3.789 -1.959 -0.180) 4.269 6.348 ( 1.203 3.216 1.558) 3.771 6.544 ( 2.360 -4.598 1.565) 5.401 6.699 ( -1.315 2.354 -0.067) 2.697 6.765 ( 4.104 1.166 -2.256) 4.826 6.795 ( -1.219 1.941 1.429) 2.701 6.897 ( 0.968 1.866 3.134) 3.774 6.937 ( -0.490 1.870 -3.282) 3.809 7.035 ( -0.811 -2.194 -0.444) 2.381 7.453 ( 1.076 6.930 4.992) 8.608 7.568 ( -3.256 4.833 -2.982) 6.546 7.702 ( -6.546 -4.413 8.406) 11.532 7.841 ( -3.133 -5.350 -8.393) 10.435 7.946 ( -0.268 1.813 -3.218) 3.703 8.016 ( -0.474 0.503 -1.543) 1.691 8.615 ( 0.106 0.302 0.228) 0.393 8.674 ( -0.634 -3.417 -1.456) 3.768 8.959 ( 0.734 9.802 -0.063) 9.829 9.102 ( -1.529 2.751 0.428) 3.177 9.546 ( 1.211 -0.122 0.814) 1.465 9.732 ( 0.567 -6.664 0.381) 6.698 9.872 ( -1.288 2.802 0.602) 3.142 10.089 ( 0.594 -6.334 0.610) 6.391 12.971 ( -0.798 1.230 -0.307) 1.498 13.005 ( -1.279 -0.254 -1.553) 2.028 13.320 ( -0.585 0.089 0.153) 0.611 13.338 ( -0.365 -0.634 0.169) 0.751 14.100 ( -0.180 5.277 -0.019) 5.280 14.453 ( 0.488 -10.817 0.495) 10.839 15.082 ( 2.486 15.795 1.601) 16.070 15.713 ( 0.485 -11.065 1.521) 11.180 16.322 ( 1.690 0.247 -0.515) 1.784 16.340 ( 1.746 -0.508 -1.715) 2.500 17.851 ( 0.969 1.542 -0.315) 1.848 17.906 ( 1.089 -0.724 -0.219) 1.326 18.787 ( 1.591 1.132 -1.066) 2.224 18.847 ( -0.801 -1.224 -0.735) 1.637 21.438 ( -2.672 11.827 -0.824) 12.153 21.970 ( -6.285 -9.118 -2.651) 11.387 ======================= Grid point 18 (11/138) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 -24.331 0.000) 24.331 1.004 ( 0.000 24.331 0.000) 24.331 1.156 ( 0.000 -27.231 0.000) 27.231 1.156 ( 0.000 27.231 0.000) 27.231 2.055 ( 0.000 -41.451 0.000) 41.451 2.055 ( 0.000 41.451 0.000) 41.451 2.822 ( 0.000 -15.635 0.000) 15.635 2.822 ( 0.000 15.635 0.000) 15.635 2.910 ( 0.000 -12.961 0.000) 12.961 2.910 ( 0.000 12.961 0.000) 12.961 3.265 ( 0.000 -6.701 0.000) 6.701 3.265 ( 0.000 6.701 0.000) 6.701 3.544 ( 0.000 -13.968 0.000) 13.968 3.544 ( 0.000 13.968 0.000) 13.968 4.055 ( 0.000 -5.824 0.000) 5.824 4.055 ( 0.000 5.824 0.000) 5.824 4.196 ( 0.000 -8.798 0.000) 8.798 4.196 ( 0.000 8.798 0.000) 8.798 4.558 ( 0.000 -3.619 0.000) 3.619 4.558 ( 0.000 3.619 0.000) 3.619 4.725 ( 0.000 -0.626 0.000) 0.626 4.725 ( 0.000 0.626 0.000) 0.626 4.999 ( 0.000 -0.577 0.000) 0.577 4.999 ( 0.000 0.577 0.000) 0.577 5.118 ( 0.000 -0.810 0.000) 0.810 5.118 ( 0.000 0.810 0.000) 0.810 5.257 ( 0.000 -0.104 0.000) 0.104 5.257 ( 0.000 0.104 0.000) 0.104 5.973 ( 0.000 -12.257 0.000) 12.257 5.973 ( 0.000 12.257 0.000) 12.257 6.014 ( 0.000 -3.099 0.000) 3.099 6.014 ( 0.000 3.099 0.000) 3.099 6.229 ( 0.000 -1.869 0.000) 1.869 6.229 ( 0.000 1.869 0.000) 1.869 6.390 ( 0.000 -0.802 0.000) 0.802 6.390 ( 0.000 0.802 0.000) 0.802 6.562 ( 0.000 -0.467 0.000) 0.467 6.562 ( 0.000 0.467 0.000) 0.467 7.046 ( 0.000 -1.384 0.000) 1.384 7.046 ( 0.000 1.384 0.000) 1.384 7.217 ( 0.000 -0.474 0.000) 0.474 7.217 ( 0.000 0.474 0.000) 0.474 7.616 ( 0.000 -0.053 0.000) 0.053 7.616 ( 0.000 0.053 0.000) 0.053 7.821 ( 0.000 -6.770 0.000) 6.770 7.821 ( 0.000 6.770 0.000) 6.770 8.593 ( 0.000 -7.039 0.000) 7.039 8.593 ( 0.000 7.039 0.000) 7.039 8.717 ( 0.000 -4.550 0.000) 4.550 8.717 ( 0.000 4.550 0.000) 4.550 8.998 ( 0.000 -2.975 0.000) 2.975 8.998 ( 0.000 2.975 0.000) 2.975 9.569 ( 0.000 -10.127 0.000) 10.127 9.569 ( 0.000 10.127 0.000) 10.127 10.156 ( 0.000 -3.473 0.000) 3.473 10.156 ( 0.000 3.473 0.000) 3.473 13.292 ( 0.000 -0.329 0.000) 0.329 13.292 ( 0.000 0.329 0.000) 0.329 13.573 ( 0.000 -1.840 0.000) 1.840 13.573 ( 0.000 1.840 0.000) 1.840 14.175 ( 0.000 -3.936 0.000) 3.936 14.175 ( 0.000 3.936 0.000) 3.936 14.521 ( 0.000 -0.295 0.000) 0.295 14.521 ( 0.000 0.295 0.000) 0.295 16.112 ( 0.000 -1.992 0.000) 1.992 16.112 ( 0.000 1.992 0.000) 1.992 17.796 ( 0.000 -0.550 0.000) 0.550 17.796 ( 0.000 0.550 0.000) 0.550 18.798 ( 0.000 -1.240 0.000) 1.240 18.798 ( 0.000 1.240 0.000) 1.240 23.246 ( 0.000 -0.366 0.000) 0.366 23.246 ( 0.000 0.366 0.000) 0.366 ======================= Grid point 20 (12/138) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.323 -15.150 8.766) 18.295 1.046 ( 5.323 15.150 8.766) 18.295 1.257 ( 8.596 -20.186 3.051) 22.151 1.257 ( 8.596 20.186 3.051) 22.151 2.164 ( 9.627 -36.290 1.656) 37.581 2.164 ( 9.627 36.290 1.656) 37.581 2.643 ( -10.531 -7.589 -11.862) 17.584 2.643 ( -10.531 7.589 -11.862) 17.584 2.928 ( 2.854 -15.161 3.926) 15.919 2.928 ( 2.854 15.161 3.926) 15.919 3.298 ( -0.559 -10.220 3.183) 10.718 3.298 ( -0.559 10.220 3.183) 10.718 3.664 ( 6.389 -11.775 9.693) 16.536 3.664 ( 6.389 11.775 9.693) 16.536 4.047 ( -0.223 -4.676 -3.043) 5.584 4.047 ( -0.223 4.676 -3.043) 5.584 4.162 ( -2.661 -6.743 -1.625) 7.429 4.162 ( -2.661 6.743 -1.625) 7.429 4.552 ( -1.002 -3.839 1.136) 4.127 4.552 ( -1.002 3.839 1.136) 4.127 4.712 ( 0.411 -1.721 -2.804) 3.315 4.712 ( 0.411 1.721 -2.804) 3.315 4.960 ( -3.784 -0.209 1.344) 4.021 4.960 ( -3.784 0.209 1.344) 4.021 5.140 ( 2.236 -1.369 -0.928) 2.781 5.140 ( 2.236 1.369 -0.928) 2.781 5.307 ( 4.325 -1.413 -1.153) 4.693 5.307 ( 4.325 1.413 -1.153) 4.693 5.906 ( -3.733 -6.754 -1.444) 7.851 5.906 ( -3.733 6.754 -1.444) 7.851 6.031 ( -1.699 -2.298 3.571) 4.574 6.031 ( -1.699 2.298 3.571) 4.574 6.248 ( 0.093 -0.568 3.862) 3.904 6.248 ( 0.093 0.568 3.862) 3.904 6.381 ( -2.347 -1.529 2.651) 3.857 6.381 ( -2.347 1.529 2.651) 3.857 6.569 ( 2.217 -1.153 -2.122) 3.278 6.569 ( 2.217 1.153 -2.122) 3.278 7.010 ( -4.239 -0.577 1.595) 4.566 7.010 ( -4.239 0.577 1.595) 4.566 7.209 ( -1.726 -0.831 0.591) 2.005 7.209 ( -1.726 0.831 0.591) 2.005 7.644 ( -0.350 -4.003 0.547) 4.055 7.644 ( -0.350 4.003 0.547) 4.055 7.791 ( 0.560 -1.165 -2.015) 2.394 7.791 ( 0.560 1.165 -2.015) 2.394 8.637 ( 1.104 -8.523 -6.597) 10.834 8.637 ( 1.104 8.523 -6.597) 10.834 8.710 ( -0.133 -7.573 3.815) 8.481 8.710 ( -0.133 7.573 3.815) 8.481 9.008 ( 1.235 -1.230 -0.406) 1.790 9.008 ( 1.235 1.230 -0.406) 1.790 9.476 ( -6.873 -7.567 -1.000) 10.271 9.476 ( -6.873 7.567 -1.000) 10.271 10.074 ( -6.436 -1.745 0.045) 6.668 10.074 ( -6.436 1.745 0.045) 6.668 13.274 ( -2.018 -2.263 -2.396) 3.864 13.274 ( -2.018 2.263 -2.396) 3.864 13.446 ( -7.870 -1.078 -2.084) 8.213 13.446 ( -7.870 1.078 -2.084) 8.213 14.175 ( 0.839 -4.012 1.065) 4.234 14.175 ( 0.839 4.012 1.065) 4.234 14.792 ( 17.431 -18.075 9.890) 26.988 14.792 ( 17.431 18.075 9.890) 26.988 16.142 ( 4.490 -2.069 -2.790) 5.677 16.142 ( 4.490 2.069 -2.790) 5.677 17.803 ( 1.086 -0.225 -0.771) 1.351 17.803 ( 1.086 0.225 -0.771) 1.351 18.802 ( 1.086 -2.198 -1.538) 2.894 18.802 ( 1.086 2.198 -1.538) 2.894 22.908 ( -26.112 -12.937 -12.768) 31.816 22.908 ( -26.112 12.937 -12.768) 31.816 ======================= Grid point 22 (13/138) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 17.964 -11.080 12.188) 24.372 1.360 ( 17.964 11.080 12.188) 24.372 1.483 ( 13.364 -16.516 4.877) 21.798 1.483 ( 13.364 16.516 4.877) 21.798 2.286 ( -0.232 -16.937 -0.979) 16.966 2.286 ( -0.232 16.937 -0.979) 16.966 2.477 ( 4.350 -8.281 -6.812) 11.572 2.477 ( 4.350 8.281 -6.812) 11.572 3.062 ( 7.106 -8.979 6.728) 13.281 3.062 ( 7.106 8.979 6.728) 13.281 3.305 ( -1.614 -10.963 6.054) 12.627 3.305 ( -1.614 10.963 6.054) 12.627 3.819 ( 2.360 -9.565 5.241) 11.159 3.819 ( 2.360 9.565 5.241) 11.159 3.976 ( -3.307 -6.092 -5.414) 8.795 3.976 ( -3.307 6.092 -5.414) 8.795 4.110 ( -0.244 -5.242 -1.919) 5.588 4.110 ( -0.244 5.242 -1.919) 5.588 4.549 ( -1.010 -3.029 2.498) 4.054 4.549 ( -1.010 3.029 2.498) 4.054 4.708 ( 1.082 -2.638 -1.801) 3.372 4.708 ( 1.082 2.638 -1.801) 3.372 4.918 ( -2.278 -1.343 1.437) 3.010 4.918 ( -2.278 1.343 1.437) 3.010 5.146 ( -0.226 -2.692 -3.513) 4.431 5.146 ( -0.226 2.692 -3.513) 4.431 5.348 ( 1.016 -1.107 -1.594) 2.191 5.348 ( 1.016 1.107 -1.594) 2.191 5.856 ( -1.485 -2.165 1.029) 2.820 5.856 ( -1.485 2.165 1.029) 2.820 6.013 ( -2.393 -3.485 2.067) 4.706 6.013 ( -2.393 3.485 2.067) 4.706 6.284 ( -0.227 -3.166 4.905) 5.843 6.284 ( -0.227 3.166 4.905) 5.843 6.351 ( -3.510 -1.127 3.528) 5.103 6.351 ( -3.510 1.127 3.528) 5.103 6.618 ( 5.557 -2.387 -2.763) 6.649 6.618 ( 5.557 2.387 -2.763) 6.649 6.936 ( -5.651 -2.141 2.372) 6.492 6.936 ( -5.651 2.141 2.372) 6.492 7.150 ( -4.203 -1.627 -2.296) 5.058 7.150 ( -4.203 1.627 -2.296) 5.058 7.595 ( -4.321 -6.337 2.933) 8.211 7.595 ( -4.321 6.337 2.933) 8.211 7.836 ( 3.720 -2.155 -0.715) 4.358 7.836 ( 3.720 2.155 -0.715) 4.358 8.439 ( -13.815 -6.892 -11.026) 18.972 8.439 ( -13.815 6.892 -11.026) 18.972 8.704 ( -2.809 -5.101 0.354) 5.834 8.704 ( -2.809 5.101 0.354) 5.834 9.055 ( 3.689 -6.826 0.111) 7.760 9.055 ( 3.689 6.826 0.111) 7.760 9.447 ( 2.857 -1.477 2.721) 4.213 9.447 ( 2.857 1.477 2.721) 4.213 9.988 ( -4.055 -1.518 1.740) 4.666 9.988 ( -4.055 1.518 1.740) 4.666 13.165 ( -5.553 -2.982 -4.513) 7.752 13.165 ( -5.553 2.982 -4.513) 7.752 13.363 ( -2.289 -0.690 0.895) 2.553 13.363 ( -2.289 0.690 0.895) 2.553 14.210 ( 1.508 -6.325 1.303) 6.631 14.210 ( 1.508 6.325 1.303) 6.631 15.127 ( 11.417 -21.135 8.264) 25.403 15.127 ( 11.417 21.135 8.264) 25.403 16.213 ( 6.132 -1.914 -3.746) 7.436 16.213 ( 6.132 1.914 -3.746) 7.436 17.824 ( 2.132 -0.713 -1.044) 2.479 17.824 ( 2.132 0.713 -1.044) 2.479 18.810 ( 1.470 -3.055 -2.346) 4.123 18.810 ( 1.470 3.055 -2.346) 4.123 22.344 ( -23.907 -20.866 -11.147) 33.633 22.344 ( -23.907 20.866 -11.147) 33.633 ======================= Grid point 24 (14/138) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 15.230 -4.913 3.800) 16.448 1.730 ( 15.230 4.913 3.800) 16.448 1.817 ( 16.075 -11.227 11.015) 22.489 1.817 ( 16.075 11.227 11.015) 22.489 2.274 ( 1.477 -9.472 0.823) 9.622 2.274 ( 1.477 9.472 0.823) 9.622 2.545 ( 5.195 -1.942 -4.218) 6.968 2.545 ( 5.195 1.942 -4.218) 6.968 3.208 ( 1.904 -4.564 5.013) 7.042 3.208 ( 1.904 4.564 5.013) 7.042 3.365 ( 1.257 -3.346 5.977) 6.964 3.365 ( 1.257 3.346 5.977) 6.964 3.771 ( -3.752 -10.176 -4.174) 11.621 3.771 ( -3.752 10.176 -4.174) 11.621 3.935 ( 1.581 -4.864 -0.978) 5.208 3.935 ( 1.581 4.864 -0.978) 5.208 4.164 ( 5.688 -14.331 2.025) 15.551 4.164 ( 5.688 14.331 2.025) 15.551 4.553 ( -1.078 -2.365 3.157) 4.089 4.553 ( -1.078 2.365 3.157) 4.089 4.714 ( 0.684 -2.128 -0.688) 2.339 4.714 ( 0.684 2.128 -0.688) 2.339 4.882 ( -3.025 -1.234 0.409) 3.292 4.882 ( -3.025 1.234 0.409) 3.292 5.063 ( -5.179 -2.901 -5.780) 8.285 5.063 ( -5.179 2.901 -5.780) 8.285 5.317 ( -2.391 -1.444 -1.937) 3.399 5.317 ( -2.391 1.444 -1.937) 3.399 5.868 ( 1.208 -3.431 1.956) 4.130 5.868 ( 1.208 3.431 1.956) 4.130 5.989 ( -1.686 -3.708 0.939) 4.180 5.989 ( -1.686 3.708 0.939) 4.180 6.268 ( -4.777 -5.011 2.552) 7.378 6.268 ( -4.777 5.011 2.552) 7.378 6.368 ( 2.365 -4.085 3.505) 5.880 6.368 ( 2.365 4.085 3.505) 5.880 6.710 ( 5.975 -2.170 -1.590) 6.553 6.710 ( 5.975 2.170 -1.590) 6.553 6.861 ( -3.974 -3.691 1.704) 5.685 6.861 ( -3.974 3.691 1.704) 5.685 7.052 ( -3.606 -1.790 -2.962) 4.998 7.052 ( -3.606 1.790 -2.962) 4.998 7.566 ( -3.349 -6.828 6.562) 10.045 7.566 ( -3.349 6.828 6.562) 10.045 7.865 ( -1.661 -4.985 -0.675) 5.298 7.865 ( -1.661 4.985 -0.675) 5.298 8.099 ( -10.908 -1.814 -10.434) 15.204 8.099 ( -10.908 1.814 -10.434) 15.204 8.658 ( -1.535 -2.590 -1.648) 3.432 8.658 ( -1.535 2.590 -1.648) 3.432 9.103 ( 1.087 -5.879 0.797) 6.031 9.103 ( 1.087 5.879 0.797) 6.031 9.539 ( 3.717 -5.376 1.811) 6.782 9.539 ( 3.717 5.376 1.811) 6.782 9.956 ( -1.430 -3.798 2.073) 4.557 9.956 ( -1.430 3.798 2.073) 4.557 13.052 ( -3.590 -1.567 -2.965) 4.912 13.052 ( -3.590 1.567 -2.965) 4.912 13.340 ( -1.339 -0.198 0.548) 1.460 13.340 ( -1.339 0.198 0.548) 1.460 14.238 ( 0.693 -8.205 0.720) 8.265 14.238 ( 0.693 8.205 0.720) 8.265 15.328 ( 5.830 -18.648 5.052) 20.181 15.328 ( 5.830 18.648 5.052) 20.181 16.286 ( 4.790 -1.109 -2.821) 5.668 16.286 ( 4.790 1.109 -2.821) 5.668 17.857 ( 2.291 -1.248 -0.793) 2.727 17.857 ( 2.291 1.248 -0.793) 2.727 18.815 ( 1.108 -2.788 -2.112) 3.669 18.815 ( 1.108 2.788 -2.112) 3.669 21.931 ( -14.883 -18.091 -6.419) 24.290 21.931 ( -14.883 18.091 -6.419) 24.290 ======================= Grid point 26 (15/138) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 6.991 -7.809 1.687) 10.616 1.961 ( 6.991 7.809 1.687) 10.616 2.126 ( 9.518 -8.132 7.716) 14.706 2.126 ( 9.518 8.132 7.716) 14.706 2.294 ( -1.169 -15.180 -2.112) 15.370 2.294 ( -1.169 15.180 -2.112) 15.370 2.596 ( 3.138 -8.620 -1.097) 9.238 2.596 ( 3.138 8.620 -1.097) 9.238 3.227 ( -2.566 -5.957 2.859) 7.088 3.227 ( -2.566 5.957 2.859) 7.088 3.330 ( -3.097 -5.396 -2.639) 6.759 3.330 ( -3.097 5.396 -2.639) 6.759 3.750 ( 1.042 -9.619 -0.364) 9.683 3.750 ( 1.042 9.619 -0.364) 9.683 4.016 ( 5.305 -5.068 1.843) 7.565 4.016 ( 5.305 5.068 1.843) 7.565 4.280 ( 3.969 -15.680 1.755) 16.269 4.280 ( 3.969 15.680 1.755) 16.269 4.557 ( -0.856 -4.006 2.034) 4.574 4.557 ( -0.856 4.006 2.034) 4.574 4.720 ( 0.629 -0.644 -0.878) 1.257 4.720 ( 0.629 0.644 -0.878) 1.257 4.828 ( -2.687 -0.339 1.267) 2.990 4.828 ( -2.687 0.340 1.267) 2.990 4.903 ( -5.636 -1.012 -5.230) 7.756 4.903 ( -5.636 1.012 -5.230) 7.756 5.263 ( -1.502 -2.346 -1.174) 3.023 5.263 ( -1.502 2.346 -1.174) 3.023 5.909 ( 1.276 -5.766 1.025) 5.993 5.909 ( 1.276 5.766 1.025) 5.993 5.971 ( -0.823 -4.793 0.404) 4.880 5.971 ( -0.823 4.793 0.404) 4.880 6.209 ( -2.423 -2.905 0.508) 3.817 6.209 ( -2.423 2.905 0.508) 3.817 6.436 ( 1.950 -5.401 1.644) 5.973 6.436 ( 1.950 5.401 1.644) 5.973 6.747 ( -0.383 -1.908 -0.548) 2.022 6.747 ( -0.383 1.908 -0.548) 2.022 6.868 ( 2.456 -3.793 0.919) 4.612 6.868 ( 2.456 3.793 0.919) 4.612 6.991 ( -1.230 -2.501 -1.526) 3.178 6.991 ( -1.230 2.501 -1.526) 3.178 7.580 ( -1.527 -5.629 8.350) 10.185 7.580 ( -1.527 5.629 8.350) 10.185 7.716 ( -6.371 -6.890 -7.740) 12.165 7.716 ( -6.371 6.890 -7.740) 12.165 7.993 ( 0.427 -2.337 -1.863) 3.019 7.993 ( 0.427 2.337 -1.863) 3.019 8.630 ( -0.433 -1.299 -0.868) 1.622 8.630 ( -0.433 1.299 -0.868) 1.622 9.113 ( -0.076 -3.532 0.303) 3.545 9.113 ( -0.076 3.532 0.303) 3.545 9.586 ( 0.887 -5.397 0.483) 5.491 9.586 ( 0.887 5.397 0.483) 5.491 9.959 ( 0.022 -5.751 0.926) 5.825 9.959 ( 0.022 5.751 0.926) 5.825 12.994 ( -1.160 -0.850 -1.020) 1.763 12.994 ( -1.160 0.850 -1.020) 1.763 13.325 ( -0.521 -0.477 0.148) 0.722 13.325 ( -0.521 0.477 0.148) 0.722 14.248 ( 0.121 -9.090 0.190) 9.093 14.248 ( 0.121 9.090 0.190) 9.093 15.421 ( 1.842 -16.813 1.711) 17.000 15.421 ( 1.842 16.813 1.711) 17.000 16.330 ( 1.772 -0.497 -1.008) 2.099 16.330 ( 1.772 0.497 -1.008) 2.099 17.884 ( 1.010 -1.475 -0.281) 1.810 17.884 ( 1.010 1.475 -0.281) 1.810 18.816 ( 0.392 -1.664 -0.856) 1.911 18.816 ( 0.392 1.664 -0.856) 1.911 21.721 ( -5.098 -14.610 -2.075) 15.613 21.721 ( -5.098 14.610 -2.075) 15.613 ======================= Grid point 45 (16/138) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -14.246 0.000 25.583) 29.283 0.569 ( -3.830 0.000 28.293) 28.551 0.892 ( 6.824 0.000 44.016) 44.542 1.831 ( -3.509 0.000 7.600) 8.371 2.105 ( -6.420 0.000 0.834) 6.473 2.135 ( 2.451 0.000 0.174) 2.457 2.411 ( 6.908 0.000 -23.184) 24.191 2.572 ( -0.061 0.000 3.125) 3.126 2.836 ( -13.548 0.000 -12.804) 18.641 3.229 ( 7.001 0.000 1.604) 7.182 3.418 ( 6.307 0.000 9.539) 11.436 3.546 ( 0.022 0.000 7.714) 7.714 3.566 ( 3.355 0.000 16.664) 16.999 3.749 ( 1.922 0.000 4.693) 5.071 3.836 ( -5.384 0.000 4.684) 7.136 4.129 ( -4.973 0.000 -1.773) 5.280 4.214 ( 4.775 0.000 -10.880) 11.882 4.371 ( 0.736 0.000 -9.792) 9.819 4.442 ( 1.013 0.000 0.643) 1.200 4.663 ( 1.379 0.000 1.112) 1.772 4.701 ( -4.975 0.000 -1.303) 5.142 4.935 ( 5.370 0.000 -5.299) 7.545 4.981 ( 2.255 0.000 2.729) 3.540 5.006 ( -0.297 0.000 1.935) 1.957 5.145 ( -1.818 0.000 -1.227) 2.194 5.218 ( -1.950 0.000 -0.273) 1.969 5.258 ( -29.730 0.000 3.167) 29.898 5.320 ( -2.539 0.000 2.357) 3.464 5.835 ( 9.869 0.000 1.032) 9.922 5.863 ( -0.935 0.000 -3.822) 3.934 6.207 ( 1.933 0.000 3.502) 4.000 6.213 ( -0.328 0.000 -1.119) 1.166 6.303 ( 2.174 0.000 -8.427) 8.703 6.402 ( -4.735 0.000 8.594) 9.812 6.451 ( 4.280 0.000 -6.315) 7.629 6.456 ( 0.302 0.000 1.637) 1.664 6.662 ( -1.782 0.000 -1.067) 2.077 6.723 ( -5.834 0.000 3.893) 7.014 6.891 ( 2.604 0.000 -2.511) 3.617 7.103 ( -3.022 0.000 9.752) 10.210 7.185 ( -0.074 0.000 5.978) 5.979 7.452 ( 3.230 0.000 -6.332) 7.108 7.569 ( 3.205 0.000 0.491) 3.242 7.644 ( -4.021 0.000 -0.038) 4.021 7.718 ( -8.612 0.000 3.250) 9.205 7.938 ( 0.076 0.000 -2.731) 2.732 8.016 ( 5.628 0.000 -3.286) 6.517 8.416 ( -4.105 0.000 1.404) 4.338 8.634 ( -2.302 0.000 0.679) 2.400 8.890 ( -0.967 0.000 2.933) 3.088 9.013 ( 6.340 0.000 0.731) 6.382 9.151 ( -2.649 0.000 -0.532) 2.702 9.501 ( 5.442 0.000 7.881) 9.577 9.764 ( 0.386 0.000 1.808) 1.849 10.029 ( 0.343 0.000 0.811) 0.881 10.062 ( 5.809 0.000 3.349) 6.706 13.052 ( -0.041 0.000 -2.219) 2.219 13.220 ( 4.068 0.000 -6.133) 7.359 13.328 ( 4.958 0.000 -1.913) 5.314 13.527 ( -7.778 0.000 -8.818) 11.758 14.063 ( 4.498 0.000 5.550) 7.144 14.127 ( 3.408 0.000 3.730) 5.052 14.365 ( 2.106 0.000 4.017) 4.535 14.602 ( 40.380 0.000 -0.973) 40.392 16.124 ( -4.509 0.000 6.197) 7.663 16.292 ( -6.620 0.000 5.837) 8.826 17.732 ( 0.095 0.000 -1.518) 1.521 17.815 ( -2.129 0.000 2.474) 3.264 19.036 ( -13.185 0.000 24.560) 27.875 21.282 (-110.271 0.000 0.100) 110.271 21.469 ( -0.054 0.000 0.013) 0.055 23.121 ( -1.423 0.000 -12.738) 12.817 ======================= Grid point 46 (17/138) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 15.446 0.000 19.507) 24.882 0.822 ( 6.799 0.000 22.981) 23.966 1.465 ( 17.608 0.000 31.202) 35.827 1.859 ( 0.726 0.000 10.928) 10.952 1.994 ( -2.201 0.000 -3.403) 4.053 2.209 ( 5.165 0.000 2.124) 5.585 2.351 ( -2.636 0.000 -12.505) 12.780 2.588 ( 4.425 0.000 -14.418) 15.082 2.652 ( 6.149 0.000 5.601) 8.318 3.364 ( 4.870 0.000 3.358) 5.916 3.410 ( -7.570 0.000 1.117) 7.652 3.662 ( 0.638 0.000 13.293) 13.308 3.736 ( -8.899 0.000 7.783) 11.822 3.775 ( 3.127 0.000 8.703) 9.248 3.815 ( 1.242 0.000 0.015) 1.242 4.015 ( -4.637 0.000 -0.470) 4.661 4.234 ( 6.502 0.000 -7.924) 10.250 4.257 ( -4.246 0.000 -9.640) 10.534 4.484 ( 2.370 0.000 3.522) 4.245 4.617 ( -3.623 0.000 0.942) 3.744 4.716 ( 2.734 0.000 2.778) 3.898 4.833 ( -11.941 0.000 5.993) 13.360 4.966 ( 0.418 0.000 -2.696) 2.728 5.008 ( 0.162 0.000 1.387) 1.396 5.078 ( 2.354 0.000 -2.970) 3.790 5.180 ( -2.144 0.000 2.599) 3.369 5.184 ( -0.214 0.000 -3.212) 3.219 5.300 ( -1.317 0.000 0.333) 1.358 5.838 ( 0.282 0.000 -0.439) 0.521 5.968 ( 4.649 0.000 -0.710) 4.703 6.197 ( -0.958 0.000 1.033) 1.409 6.210 ( -4.581 0.000 0.941) 4.677 6.310 ( 7.120 0.000 -9.181) 11.618 6.355 ( -6.479 0.000 7.559) 9.956 6.445 ( -1.029 0.000 1.275) 1.638 6.475 ( 2.241 0.000 -3.807) 4.418 6.582 ( -9.510 0.000 3.451) 10.117 6.657 ( 1.518 0.000 0.213) 1.533 6.867 ( -1.874 0.000 -0.527) 1.947 7.119 ( -4.366 0.000 10.093) 10.997 7.182 ( -4.742 0.000 1.208) 4.894 7.404 ( -16.904 0.000 10.018) 19.650 7.445 ( 1.400 0.000 -6.028) 6.189 7.576 ( -6.375 0.000 8.327) 10.487 7.671 ( 4.219 0.000 -4.706) 6.321 7.883 ( -1.871 0.000 1.293) 2.274 8.105 ( 5.317 0.000 -2.121) 5.725 8.433 ( -1.632 0.000 -5.989) 6.207 8.599 ( -1.552 0.000 0.288) 1.579 8.869 ( -3.265 0.000 1.578) 3.626 9.036 ( -7.854 0.000 -3.339) 8.534 9.157 ( 4.358 0.000 3.586) 5.643 9.569 ( -1.008 0.000 2.648) 2.834 9.785 ( 0.125 0.000 2.008) 2.012 10.023 ( -1.915 0.000 1.158) 2.238 10.078 ( -1.468 0.000 1.974) 2.460 13.025 ( -0.803 0.000 -2.211) 2.352 13.254 ( 4.859 0.000 -6.237) 7.906 13.286 ( -9.293 0.000 -8.607) 12.666 13.344 ( 1.568 0.000 -5.807) 6.015 14.092 ( -1.368 0.000 2.302) 2.678 14.369 ( 13.244 0.000 7.059) 15.008 14.474 ( 4.886 0.000 5.335) 7.234 15.354 ( 41.076 0.000 -22.221) 46.701 16.128 ( -0.153 0.000 5.241) 5.243 16.244 ( -4.719 0.000 7.482) 8.846 17.730 ( 1.314 0.000 -2.184) 2.549 17.812 ( 0.010 0.000 1.601) 1.601 18.989 ( -13.053 0.000 22.182) 25.737 19.785 ( -68.079 0.000 43.928) 81.021 21.450 ( -2.041 0.000 0.077) 2.043 22.874 ( -12.651 0.000 -15.108) 19.706 ======================= Grid point 47 (18/138) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 10.148 0.000 17.943) 20.614 1.197 ( 20.098 0.000 15.304) 25.261 1.802 ( 6.165 0.000 6.635) 9.056 2.009 ( 5.984 0.000 -1.604) 6.195 2.170 ( 15.073 0.000 19.247) 24.447 2.238 ( 0.693 0.000 -3.169) 3.244 2.357 ( 9.496 0.000 5.425) 10.936 2.682 ( 13.877 0.000 -12.428) 18.629 2.869 ( 11.860 0.000 8.176) 14.405 3.231 ( -11.678 0.000 -3.189) 12.106 3.418 ( -1.349 0.000 1.073) 1.723 3.636 ( -8.009 0.000 6.539) 10.339 3.695 ( -3.286 0.000 4.514) 5.583 3.820 ( -3.337 0.000 5.474) 6.411 3.824 ( 2.816 0.000 -3.188) 4.254 4.024 ( 2.296 0.000 3.785) 4.427 4.092 ( -6.500 0.000 -4.178) 7.727 4.311 ( 7.776 0.000 -5.749) 9.670 4.548 ( -0.601 0.000 3.533) 3.583 4.605 ( -0.229 0.000 3.794) 3.801 4.736 ( -4.497 0.000 3.107) 5.466 4.783 ( 1.527 0.000 3.397) 3.724 4.914 ( -3.223 0.000 -0.648) 3.288 5.025 ( 0.209 0.000 -1.351) 1.367 5.069 ( -0.034 0.000 -6.005) 6.006 5.131 ( -5.728 0.000 2.727) 6.344 5.173 ( 2.398 0.000 -3.443) 4.196 5.271 ( -1.285 0.000 -1.410) 1.908 5.860 ( 0.607 0.000 1.972) 2.063 5.978 ( -0.841 0.000 -4.151) 4.236 6.090 ( -9.449 0.000 4.504) 10.468 6.204 ( 0.895 0.000 0.369) 0.968 6.310 ( -2.667 0.000 2.887) 3.930 6.392 ( 2.922 0.000 -5.914) 6.596 6.422 ( -0.842 0.000 2.067) 2.232 6.488 ( 3.406 0.000 2.999) 4.538 6.511 ( 0.201 0.000 -6.234) 6.237 6.702 ( 1.778 0.000 2.596) 3.147 6.814 ( -4.640 0.000 1.446) 4.860 7.014 ( -10.841 0.000 -3.391) 11.359 7.102 ( -6.567 0.000 9.700) 11.714 7.243 ( -9.102 0.000 8.591) 12.516 7.407 ( -0.884 0.000 -4.007) 4.104 7.550 ( -3.475 0.000 7.780) 8.520 7.723 ( 6.108 0.000 -5.862) 8.466 7.908 ( 0.723 0.000 3.437) 3.512 8.116 ( -1.642 0.000 -4.665) 4.946 8.289 ( -11.551 0.000 -1.058) 11.599 8.602 ( 0.730 0.000 2.467) 2.573 8.814 ( -3.126 0.000 -0.108) 3.128 8.850 ( -6.696 0.000 -4.951) 8.327 9.220 ( -1.766 0.000 5.902) 6.160 9.561 ( -2.414 0.000 6.240) 6.690 9.798 ( -0.159 0.000 1.427) 1.436 9.981 ( -3.737 0.000 1.032) 3.877 10.100 ( 2.032 0.000 0.579) 2.113 12.993 ( -1.096 0.000 -1.352) 1.740 13.097 ( -5.392 0.000 -5.982) 8.054 13.280 ( 3.521 0.000 -6.381) 7.288 13.316 ( 0.763 0.000 -5.595) 5.647 14.079 ( -1.604 0.000 1.266) 2.043 14.584 ( 2.803 0.000 3.877) 4.784 14.635 ( 10.668 0.000 5.578) 12.038 15.691 ( 16.421 0.000 -13.849) 21.482 16.199 ( 3.251 0.000 5.191) 6.125 16.249 ( -0.552 0.000 5.575) 5.602 17.745 ( 2.497 0.000 -2.421) 3.478 17.841 ( 1.985 0.000 1.088) 2.264 18.940 ( -11.319 0.000 20.939) 23.803 19.301 ( -28.042 0.000 31.379) 42.083 21.403 ( -3.206 0.000 0.257) 3.216 22.496 ( -15.994 0.000 -12.854) 20.519 ======================= Grid point 48 (19/138) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 10.716 0.000 15.326) 18.701 1.604 ( 12.070 0.000 12.597) 17.446 1.941 ( 4.610 0.000 5.584) 7.241 2.151 ( 8.565 0.000 0.709) 8.594 2.307 ( 6.184 0.000 1.721) 6.419 2.412 ( 5.197 0.000 3.384) 6.202 2.638 ( 12.190 0.000 2.218) 12.390 2.789 ( 6.300 0.000 -14.351) 15.673 3.004 ( -6.968 0.000 -1.190) 7.069 3.184 ( 15.037 0.000 10.076) 18.100 3.356 ( -6.330 0.000 3.008) 7.008 3.559 ( -3.634 0.000 -1.148) 3.811 3.673 ( -2.614 0.000 2.552) 3.653 3.777 ( -3.502 0.000 1.680) 3.884 3.851 ( -2.757 0.000 -0.744) 2.856 3.984 ( 3.347 0.000 -0.564) 3.394 4.155 ( 3.123 0.000 9.227) 9.741 4.399 ( 7.552 0.000 -7.331) 10.525 4.478 ( -5.565 0.000 -3.896) 6.794 4.619 ( -1.221 0.000 0.342) 1.268 4.736 ( 0.967 0.000 6.486) 6.558 4.818 ( -0.795 0.000 1.698) 1.875 4.867 ( -1.562 0.000 -1.031) 1.871 4.971 ( -5.391 0.000 -6.322) 8.309 4.981 ( -3.111 0.000 -0.816) 3.216 5.028 ( -8.344 0.000 4.447) 9.455 5.196 ( 0.186 0.000 0.415) 0.454 5.264 ( 2.559 0.000 -0.537) 2.615 5.834 ( -5.246 0.000 1.252) 5.393 5.904 ( -1.963 0.000 -6.052) 6.362 6.023 ( -2.579 0.000 5.868) 6.410 6.216 ( 1.987 0.000 -6.257) 6.564 6.290 ( -5.575 0.000 -1.071) 5.677 6.315 ( 0.271 0.000 2.732) 2.746 6.388 ( -6.828 0.000 -1.254) 6.943 6.566 ( 10.654 0.000 -4.915) 11.733 6.583 ( 3.302 0.000 3.753) 4.999 6.743 ( -0.229 0.000 3.931) 3.938 6.752 ( -3.272 0.000 2.808) 4.312 6.866 ( -3.312 0.000 -3.104) 4.539 7.048 ( -7.554 0.000 9.197) 11.902 7.190 ( -4.897 0.000 8.143) 9.502 7.364 ( -0.258 0.000 -4.002) 4.010 7.568 ( -1.761 0.000 6.843) 7.066 7.792 ( 6.944 0.000 -5.960) 9.151 7.871 ( -6.623 0.000 -8.233) 10.566 8.004 ( -4.816 0.000 -5.351) 7.199 8.078 ( -11.195 0.000 10.862) 15.599 8.636 ( -0.362 0.000 2.900) 2.923 8.778 ( -0.525 0.000 0.210) 0.565 8.779 ( 0.156 0.000 0.095) 0.183 9.192 ( -6.099 0.000 6.048) 8.589 9.595 ( -0.559 0.000 7.359) 7.380 9.800 ( -0.373 0.000 0.334) 0.501 9.914 ( -4.364 0.000 0.528) 4.395 10.132 ( 1.725 0.000 -1.278) 2.147 12.968 ( -0.888 0.000 -0.925) 1.282 13.004 ( -1.505 0.000 -2.312) 2.759 13.276 ( 1.774 0.000 -5.984) 6.241 13.292 ( 1.677 0.000 -5.718) 5.959 14.060 ( -1.224 0.000 0.607) 1.366 14.629 ( 0.153 0.000 1.658) 1.665 14.817 ( 5.778 0.000 3.184) 6.597 15.787 ( 4.803 0.000 -6.217) 7.856 16.301 ( 1.797 0.000 4.003) 4.387 16.308 ( 3.379 0.000 5.892) 6.792 17.778 ( 3.173 0.000 -2.136) 3.825 17.890 ( 2.289 0.000 1.106) 2.542 18.937 ( -7.626 0.000 20.331) 21.714 19.154 ( -15.482 0.000 24.420) 28.914 21.350 ( -2.966 0.000 0.463) 3.002 22.163 ( -11.183 0.000 -7.845) 13.660 ======================= Grid point 49 (20/138) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -4.044 0.000 6.006) 7.240 1.780 ( -0.561 0.000 5.858) 5.884 2.038 ( -0.985 0.000 7.894) 7.956 2.267 ( 5.346 0.000 -1.464) 5.543 2.416 ( -0.621 0.000 3.942) 3.991 2.466 ( 0.066 0.000 -0.778) 0.780 2.710 ( 4.906 0.000 -7.553) 9.006 2.735 ( 3.921 0.000 -10.813) 11.502 3.054 ( 6.085 0.000 4.781) 7.739 3.256 ( -7.980 0.000 3.451) 8.694 3.393 ( -3.060 0.000 -9.032) 9.536 3.532 ( 5.180 0.000 6.341) 8.188 3.581 ( -6.289 0.000 -6.260) 8.874 3.775 ( 0.707 0.000 2.539) 2.636 3.836 ( 0.854 0.000 6.083) 6.142 4.029 ( -1.049 0.000 1.616) 1.927 4.247 ( -1.073 0.000 3.473) 3.635 4.362 ( -1.977 0.000 -3.777) 4.263 4.469 ( 8.208 0.000 -11.237) 13.915 4.609 ( 0.879 0.000 -1.204) 1.491 4.707 ( -6.450 0.000 -8.387) 10.580 4.809 ( 0.731 0.000 3.213) 3.296 4.876 ( -1.855 0.000 8.288) 8.493 4.886 ( 1.127 0.000 3.994) 4.149 4.942 ( -1.696 0.000 1.369) 2.179 4.952 ( -3.295 0.000 7.066) 7.797 5.199 ( -0.737 0.000 3.173) 3.258 5.324 ( 2.716 0.000 1.268) 2.998 5.763 ( -2.957 0.000 1.948) 3.541 5.843 ( 1.364 0.000 -7.183) 7.311 6.027 ( -2.457 0.000 3.998) 4.692 6.117 ( -1.348 0.000 -11.480) 11.559 6.273 ( 1.512 0.000 1.662) 2.247 6.296 ( -3.983 0.000 0.713) 4.046 6.334 ( -0.999 0.000 1.710) 1.981 6.628 ( -1.018 0.000 1.810) 2.076 6.690 ( 6.917 0.000 -5.965) 9.134 6.735 ( -1.897 0.000 3.308) 3.814 6.755 ( -2.355 0.000 4.729) 5.283 6.811 ( 0.169 0.000 -4.544) 4.547 7.006 ( -4.854 0.000 9.080) 10.296 7.187 ( -3.630 0.000 8.677) 9.406 7.329 ( 0.136 0.000 -4.955) 4.957 7.560 ( -3.377 0.000 1.700) 3.781 7.643 ( -6.630 0.000 -7.476) 9.992 7.866 ( 6.325 0.000 -8.457) 10.561 7.940 ( 0.817 0.000 3.768) 3.855 8.074 ( -1.579 0.000 11.494) 11.602 8.632 ( -1.454 0.000 1.223) 1.900 8.791 ( 0.161 0.000 2.273) 2.279 8.813 ( 0.840 0.000 4.080) 4.166 9.132 ( -5.238 0.000 5.717) 7.753 9.624 ( -2.859 0.000 5.988) 6.635 9.794 ( 0.075 0.000 -0.800) 0.803 9.848 ( -2.967 0.000 -0.187) 2.973 10.143 ( 1.067 0.000 -2.107) 2.361 12.950 ( 0.018 0.000 -0.852) 0.852 13.000 ( 1.072 0.000 1.178) 1.593 13.260 ( 1.830 0.000 -5.714) 6.000 13.281 ( 2.207 0.000 -5.870) 6.271 14.050 ( -0.396 0.000 0.593) 0.713 14.627 ( -0.928 0.000 0.071) 0.930 14.883 ( 0.100 0.000 0.330) 0.345 15.787 ( 0.576 0.000 -5.196) 5.228 16.358 ( 0.420 0.000 4.895) 4.913 16.398 ( 1.010 0.000 6.471) 6.550 17.814 ( 2.236 0.000 -1.518) 2.703 17.930 ( 0.838 0.000 1.441) 1.667 18.979 ( -6.479 0.000 20.300) 21.309 19.122 ( -10.421 0.000 25.414) 27.468 21.314 ( -1.354 0.000 0.565) 1.467 22.015 ( -0.487 0.000 -2.119) 2.174 ======================= Grid point 50 (21/138) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -15.796 0.000 -0.318) 15.799 1.692 ( -12.774 0.000 2.034) 12.935 1.999 ( -8.011 0.000 4.329) 9.106 2.278 ( -1.030 0.000 -5.178) 5.280 2.360 ( -6.226 0.000 3.729) 7.257 2.405 ( -5.278 0.000 -3.699) 6.445 2.625 ( -7.015 0.000 -12.161) 14.039 2.862 ( 9.099 0.000 1.703) 9.257 3.116 ( -12.789 0.000 -1.023) 12.829 3.195 ( -2.350 0.000 -8.557) 8.874 3.218 ( 4.220 0.000 5.463) 6.903 3.423 ( -0.269 0.000 -8.315) 8.320 3.563 ( -6.680 0.000 -2.560) 7.154 3.798 ( -1.377 0.000 3.745) 3.991 3.875 ( 1.261 0.000 5.382) 5.528 4.058 ( 0.542 0.000 1.595) 1.685 4.209 ( -2.689 0.000 3.650) 4.534 4.325 ( 1.952 0.000 -9.880) 10.071 4.482 ( -1.175 0.000 -7.759) 7.848 4.578 ( 3.511 0.000 -6.627) 7.499 4.651 ( 4.632 0.000 1.042) 4.748 4.811 ( -5.598 0.000 9.958) 11.423 4.907 ( -2.030 0.000 0.439) 2.077 4.944 ( -0.735 0.000 10.872) 10.897 4.967 ( 2.984 0.000 2.952) 4.198 5.092 ( 8.573 0.000 6.955) 11.039 5.223 ( 0.920 0.000 2.322) 2.498 5.368 ( 0.364 0.000 3.132) 3.153 5.769 ( 1.023 0.000 3.492) 3.638 5.835 ( 4.745 0.000 -9.259) 10.404 5.996 ( -3.631 0.000 2.752) 4.556 6.054 ( 2.576 0.000 -7.293) 7.734 6.237 ( -2.394 0.000 -0.573) 2.462 6.289 ( -4.444 0.000 -0.454) 4.467 6.343 ( 5.304 0.000 -0.635) 5.342 6.578 ( -4.623 0.000 -1.174) 4.770 6.703 ( 1.279 0.000 -4.092) 4.287 6.739 ( 0.188 0.000 0.126) 0.227 6.747 ( -2.023 0.000 4.464) 4.901 6.782 ( 0.103 0.000 -4.426) 4.428 7.021 ( -2.049 0.000 9.017) 9.247 7.184 ( -3.967 0.000 8.385) 9.276 7.296 ( 0.481 0.000 -3.613) 3.645 7.510 ( -1.360 0.000 -1.806) 2.261 7.580 ( 4.076 0.000 -6.507) 7.679 7.864 ( 2.281 0.000 -7.987) 8.307 8.072 ( 5.839 0.000 7.949) 9.863 8.208 ( 6.273 0.000 13.951) 15.296 8.613 ( -1.526 0.000 0.979) 1.813 8.805 ( -0.810 0.000 2.514) 2.642 8.859 ( -0.023 0.000 6.229) 6.229 9.115 ( -1.609 0.000 5.027) 5.278 9.583 ( -5.937 0.000 3.905) 7.106 9.785 ( -0.866 0.000 -1.077) 1.382 9.825 ( 1.737 0.000 -1.332) 2.189 10.130 ( -0.479 0.000 -3.436) 3.469 12.960 ( 1.298 0.000 0.483) 1.385 13.051 ( 3.090 0.000 2.343) 3.878 13.252 ( 2.589 0.000 -6.225) 6.742 13.277 ( 2.549 0.000 -5.711) 6.254 14.057 ( 0.280 0.000 1.142) 1.176 14.601 ( -1.716 0.000 -1.018) 1.996 14.826 ( -5.569 0.000 -2.554) 6.126 15.729 ( -0.976 0.000 -8.420) 8.477 16.380 ( -2.944 0.000 5.754) 6.463 16.448 ( -1.280 0.000 7.078) 7.193 17.826 ( 0.195 0.000 -0.864) 0.886 17.939 ( -1.347 0.000 2.002) 2.413 19.018 ( -7.802 0.000 21.859) 23.209 19.192 ( -7.514 0.000 31.983) 32.854 21.314 ( 0.901 0.000 0.539) 1.050 22.118 ( 11.664 0.000 2.231) 11.875 ======================= Grid point 51 (22/138) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -17.693 0.000 3.453) 18.027 1.364 ( -23.516 0.000 -3.348) 23.753 1.865 ( -10.437 0.000 1.368) 10.526 2.167 ( -7.039 0.000 -0.721) 7.076 2.188 ( -18.721 0.000 -2.104) 18.839 2.337 ( -12.075 0.000 -4.553) 12.905 2.370 ( 5.259 0.000 4.754) 7.089 2.836 ( -12.500 0.000 -6.300) 13.998 2.893 ( -2.770 0.000 -9.085) 9.498 3.215 ( 7.890 0.000 -5.556) 9.650 3.239 ( 3.014 0.000 -3.653) 4.736 3.384 ( -6.717 0.000 -5.174) 8.479 3.521 ( 3.367 0.000 9.081) 9.685 3.786 ( -2.799 0.000 2.773) 3.940 3.977 ( 3.384 0.000 5.909) 6.809 4.043 ( -2.724 0.000 2.130) 3.458 4.223 ( 1.240 0.000 2.303) 2.616 4.245 ( 1.313 0.000 -13.682) 13.745 4.420 ( -0.427 0.000 -3.266) 3.293 4.624 ( 4.987 0.000 -6.291) 8.028 4.746 ( 2.603 0.000 3.831) 4.631 4.808 ( -4.732 0.000 12.587) 13.447 4.865 ( -1.513 0.000 -1.286) 1.986 5.018 ( -0.004 0.000 10.522) 10.522 5.023 ( 0.638 0.000 1.096) 1.269 5.240 ( 2.728 0.000 3.524) 4.456 5.263 ( 1.636 0.000 1.075) 1.958 5.384 ( -2.028 0.000 4.611) 5.037 5.844 ( 3.729 0.000 3.050) 4.817 5.850 ( 5.959 0.000 -10.840) 12.370 5.976 ( -0.411 0.000 4.571) 4.590 6.069 ( 3.055 0.000 -3.605) 4.725 6.200 ( -3.833 0.000 -1.365) 4.069 6.209 ( 0.004 0.000 -1.363) 1.363 6.413 ( 4.149 0.000 -4.459) 6.091 6.478 ( -4.015 0.000 -2.660) 4.817 6.657 ( -1.259 0.000 -9.205) 9.291 6.739 ( 0.372 0.000 -1.064) 1.127 6.755 ( -1.101 0.000 3.418) 3.591 6.833 ( 6.533 0.000 5.514) 8.549 7.055 ( -2.479 0.000 8.842) 9.183 7.194 ( -1.641 0.000 6.268) 6.480 7.307 ( 2.635 0.000 -0.428) 2.669 7.489 ( 1.009 0.000 -3.089) 3.250 7.620 ( 5.794 0.000 -5.405) 7.924 7.836 ( 1.254 0.000 -6.033) 6.162 8.203 ( 1.392 0.000 5.140) 5.325 8.511 ( 12.935 0.000 16.357) 20.854 8.604 ( -0.543 0.000 2.718) 2.772 8.805 ( -0.805 0.000 1.593) 1.785 8.923 ( 1.814 0.000 6.372) 6.625 9.140 ( -0.068 0.000 4.149) 4.149 9.507 ( -4.519 0.000 3.388) 5.648 9.758 ( -0.829 0.000 -1.184) 1.445 9.873 ( 4.361 0.000 -1.471) 4.603 10.051 ( -4.281 0.000 -7.378) 8.530 12.998 ( 2.116 0.000 0.900) 2.300 13.151 ( 6.063 0.000 3.248) 6.878 13.249 ( 2.963 0.000 -7.207) 7.792 13.280 ( 2.857 0.000 -5.536) 6.230 14.075 ( 0.275 0.000 1.898) 1.917 14.544 ( -3.561 0.000 -1.810) 3.995 14.651 ( -10.609 0.000 -5.077) 11.761 15.613 ( -1.694 0.000 -16.155) 16.243 16.344 ( -6.438 0.000 6.370) 9.056 16.469 ( -2.369 0.000 6.092) 6.537 17.810 ( -1.344 0.000 -0.355) 1.391 17.917 ( -3.023 0.000 2.672) 4.035 19.053 ( -9.067 0.000 24.047) 25.699 19.379 ( -5.546 0.000 47.770) 48.091 21.351 ( 2.633 0.000 0.426) 2.667 22.430 ( 20.014 0.000 3.299) 20.284 ======================= Grid point 52 (23/138) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -28.201 0.000 -8.799) 29.542 0.870 ( -21.060 0.000 8.991) 22.899 1.522 ( -33.080 0.000 10.115) 34.592 1.929 ( -9.732 0.000 6.476) 11.690 2.095 ( -1.973 0.000 4.004) 4.464 2.168 ( -4.358 0.000 -4.453) 6.231 2.600 ( 14.025 0.000 1.696) 14.128 2.622 ( -6.105 0.000 -5.072) 7.937 2.746 ( -0.760 0.000 -9.268) 9.299 3.213 ( -1.908 0.000 -8.262) 8.479 3.235 ( -2.333 0.000 -1.053) 2.559 3.395 ( 10.183 0.000 -0.890) 10.221 3.579 ( -3.987 0.000 8.234) 9.148 3.714 ( -7.334 0.000 -1.344) 7.456 3.976 ( -6.490 0.000 5.005) 8.196 4.097 ( 2.904 0.000 7.000) 7.578 4.207 ( 4.800 0.000 -9.885) 10.988 4.289 ( 6.225 0.000 -3.705) 7.244 4.397 ( 0.428 0.000 -1.736) 1.788 4.643 ( 2.960 0.000 -5.685) 6.410 4.793 ( -2.167 0.000 7.934) 8.225 4.831 ( -0.799 0.000 4.256) 4.330 4.850 ( 1.780 0.000 -3.002) 3.490 5.010 ( -1.747 0.000 -0.020) 1.748 5.125 ( 0.409 0.000 14.418) 14.424 5.275 ( -0.584 0.000 8.083) 8.104 5.279 ( -0.769 0.000 0.689) 1.033 5.377 ( -2.792 0.000 4.516) 5.309 5.894 ( 7.713 0.000 -5.649) 9.560 5.906 ( 2.083 0.000 0.188) 2.091 6.060 ( -1.360 0.000 -6.405) 6.548 6.068 ( 2.450 0.000 5.362) 5.895 6.177 ( 3.343 0.000 2.708) 4.302 6.208 ( 0.657 0.000 -0.639) 0.917 6.420 ( -0.558 0.000 -1.272) 1.389 6.431 ( 2.632 0.000 -4.417) 5.141 6.541 ( -2.654 0.000 -10.360) 10.694 6.743 ( 0.786 0.000 -0.030) 0.786 6.750 ( -1.998 0.000 1.928) 2.777 7.011 ( 6.300 0.000 5.937) 8.657 7.072 ( -3.318 0.000 8.636) 9.252 7.214 ( -0.502 0.000 3.341) 3.378 7.368 ( 3.535 0.000 0.920) 3.652 7.491 ( 2.250 0.000 -3.642) 4.281 7.727 ( 9.545 0.000 -1.155) 9.615 7.823 ( 1.487 0.000 -3.214) 3.541 8.170 ( -6.461 0.000 -0.816) 6.513 8.641 ( 0.087 0.000 5.342) 5.342 8.814 ( 1.059 0.000 1.021) 1.471 8.839 ( 7.943 0.000 15.713) 17.606 8.998 ( 1.089 0.000 3.137) 3.321 9.167 ( -0.306 0.000 2.888) 2.904 9.551 ( 6.969 0.000 5.796) 9.064 9.742 ( -0.149 0.000 -0.477) 0.500 9.843 ( -10.049 0.000 -14.356) 17.524 9.941 ( 4.212 0.000 -0.849) 4.297 13.038 ( 1.815 0.000 0.029) 1.815 13.236 ( 2.275 0.000 -7.654) 7.985 13.290 ( 3.110 0.000 -5.619) 6.422 13.322 ( 10.009 0.000 4.001) 10.779 14.092 ( -0.326 0.000 2.565) 2.586 14.384 ( -13.937 0.000 -6.615) 15.427 14.449 ( -5.339 0.000 -1.514) 5.549 15.371 ( -6.298 0.000 -32.437) 33.043 16.266 ( -7.976 0.000 6.818) 10.492 16.451 ( -3.840 0.000 2.747) 4.722 17.779 ( -1.700 0.000 -0.261) 1.720 17.880 ( -3.659 0.000 3.149) 4.827 19.072 ( -11.088 0.000 25.363) 27.681 19.866 ( 7.813 0.000 82.797) 83.165 21.405 ( 2.984 0.000 0.249) 2.994 22.818 ( 20.737 0.000 0.166) 20.738 ======================= Grid point 53 (24/138) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -13.198 0.000 17.989) 22.311 0.597 ( -20.178 0.000 19.382) 27.979 1.010 ( -38.264 0.000 24.924) 45.666 1.851 ( -5.908 0.000 7.032) 9.185 2.111 ( 0.645 0.000 -1.942) 2.047 2.131 ( -0.219 0.000 5.554) 5.558 2.544 ( 2.085 0.000 -25.776) 25.860 2.549 ( -0.247 0.000 0.641) 0.686 2.984 ( 7.951 0.000 9.867) 12.672 3.152 ( 1.983 0.000 -4.646) 5.052 3.196 ( 2.411 0.000 2.612) 3.554 3.491 ( -8.298 0.000 0.068) 8.298 3.590 ( -6.735 0.000 8.445) 10.802 3.596 ( 10.935 0.000 2.745) 11.275 3.900 ( -6.543 0.000 5.525) 8.564 4.171 ( -0.131 0.000 3.267) 3.270 4.217 ( 4.670 0.000 -10.036) 11.069 4.365 ( 6.412 0.000 -6.302) 8.990 4.415 ( 1.763 0.000 0.181) 1.772 4.647 ( 1.266 0.000 -2.278) 2.606 4.787 ( -4.723 0.000 3.242) 5.729 4.866 ( 4.176 0.000 2.319) 4.777 4.880 ( 5.002 0.000 -4.819) 6.946 4.993 ( -0.053 0.000 0.615) 0.618 5.155 ( -1.333 0.000 0.104) 1.337 5.255 ( -2.366 0.000 0.879) 2.524 5.353 ( -3.435 0.000 3.334) 4.787 5.552 ( 12.825 0.000 24.236) 27.421 5.838 ( -17.084 0.000 -14.218) 22.227 5.911 ( 0.103 0.000 -4.534) 4.535 6.127 ( 1.332 0.000 6.743) 6.874 6.154 ( 21.177 0.000 12.895) 24.794 6.225 ( 2.735 0.000 2.717) 3.856 6.329 ( 5.909 0.000 5.936) 8.376 6.429 ( 0.657 0.000 1.876) 1.988 6.435 ( 2.495 0.000 -10.716) 11.002 6.465 ( 4.417 0.000 7.255) 8.494 6.714 ( -3.009 0.000 0.235) 3.018 6.771 ( 0.424 0.000 4.530) 4.550 7.082 ( -3.205 0.000 8.908) 9.467 7.126 ( 2.090 0.000 5.239) 5.640 7.257 ( 4.513 0.000 6.999) 8.328 7.428 ( 3.653 0.000 -2.510) 4.432 7.514 ( 3.054 0.000 -1.925) 3.610 7.820 ( -2.750 0.000 1.721) 3.244 7.890 ( 7.643 0.000 -0.914) 7.698 8.025 ( -4.475 0.000 -4.793) 6.558 8.659 ( -1.918 0.000 3.060) 3.611 8.858 ( 1.677 0.000 2.651) 3.137 8.937 ( -4.420 0.000 -4.552) 6.345 9.051 ( -4.923 0.000 -0.093) 4.924 9.167 ( -0.688 0.000 0.274) 0.741 9.430 ( -14.825 0.000 -10.603) 18.227 9.746 ( 0.367 0.000 0.808) 0.887 9.821 ( 10.495 0.000 11.166) 15.323 9.999 ( 2.586 0.000 0.054) 2.587 13.058 ( 0.956 0.000 -1.301) 1.614 13.216 ( 2.237 0.000 -6.665) 7.031 13.289 ( 0.852 0.000 -3.534) 3.635 13.538 ( 9.745 0.000 1.447) 9.852 14.090 ( -9.524 0.000 -0.699) 9.549 14.109 ( -2.772 0.000 -0.593) 2.835 14.361 ( -3.449 0.000 0.903) 3.565 14.780 ( -26.343 0.000 -40.091) 47.972 16.181 ( -7.484 0.000 6.855) 10.149 16.378 ( -6.135 0.000 1.954) 6.439 17.750 ( -1.079 0.000 -0.725) 1.300 17.843 ( -3.344 0.000 3.106) 4.564 19.064 ( -12.756 0.000 25.912) 28.881 21.218 ( 61.982 0.000 92.751) 111.555 21.451 ( 1.902 0.000 0.084) 1.904 23.099 ( 12.389 0.000 -6.340) 13.917 ======================= Grid point 54 (25/138) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.863 20.113 14.260) 24.726 0.826 ( 4.355 15.824 21.634) 27.155 1.349 ( -5.015 30.172 24.825) 39.393 1.559 ( -2.811 -17.724 7.652) 19.509 1.761 ( 3.824 -17.372 3.414) 18.113 2.377 ( -5.895 14.245 -5.331) 16.312 2.625 ( -0.348 6.574 -9.548) 11.598 2.675 ( -2.573 8.495 0.703) 8.904 2.866 ( -8.448 -0.150 -11.330) 14.134 3.111 ( 5.414 -5.126 4.672) 8.798 3.286 ( -3.463 -16.528 7.390) 18.433 3.443 ( 5.875 -0.167 10.096) 11.682 3.494 ( 7.226 -5.535 7.738) 11.947 3.726 ( 8.286 -4.362 2.734) 9.755 3.924 ( -3.470 6.989 2.639) 8.238 4.102 ( -2.390 -1.927 -1.727) 3.523 4.145 ( 0.401 -5.382 -6.037) 8.098 4.304 ( 1.473 -7.040 -8.074) 10.813 4.482 ( 1.145 3.436 -0.318) 3.635 4.630 ( 1.795 -2.904 0.504) 3.451 4.724 ( -4.923 2.282 -0.152) 5.428 4.925 ( -7.070 -5.630 8.356) 12.309 4.955 ( 4.357 1.675 -1.622) 4.941 5.029 ( 0.290 -1.787 2.409) 3.013 5.090 ( -1.927 -1.017 -0.478) 2.231 5.171 ( -3.391 -2.351 3.618) 5.488 5.238 ( -3.604 0.007 -0.647) 3.662 5.260 ( -2.794 -2.509 0.069) 3.755 5.805 ( 1.490 4.073 1.030) 4.457 5.962 ( 1.861 6.052 0.511) 6.352 6.107 ( 0.021 -7.786 -1.031) 7.854 6.217 ( -0.632 -0.976 0.302) 1.201 6.287 ( 5.648 -3.347 2.526) 7.034 6.321 ( -0.339 -0.065 6.179) 6.189 6.355 ( -1.898 -4.311 2.273) 5.230 6.447 ( 1.985 -5.157 2.002) 5.877 6.505 ( -0.825 -0.109 0.739) 1.113 6.683 ( -1.822 -4.446 3.192) 5.769 6.992 ( 1.694 5.946 -0.739) 6.227 7.104 ( -0.562 0.270 5.574) 5.609 7.231 ( -1.130 2.958 5.381) 6.244 7.339 ( -1.399 -4.612 6.856) 8.380 7.506 ( 1.730 3.486 -5.401) 6.657 7.571 ( 2.685 -0.729 -3.807) 4.715 7.766 ( -2.724 1.059 4.365) 5.253 7.908 ( -0.682 -2.998 -1.944) 3.638 8.456 ( 5.180 4.528 -1.714) 7.090 8.485 ( -7.376 10.651 -11.987) 17.651 8.673 ( -4.502 3.982 0.602) 6.041 8.873 ( 1.410 -3.725 2.448) 4.675 8.973 ( 2.299 -0.431 1.618) 2.844 9.113 ( -2.696 -3.456 2.319) 4.959 9.442 ( -0.296 2.796 8.490) 8.943 9.729 ( -3.277 -6.036 -0.512) 6.888 10.077 ( -0.617 3.885 0.342) 3.949 10.151 ( 1.884 2.727 -1.524) 3.648 13.172 ( 0.615 3.799 -9.130) 9.908 13.220 ( 3.648 -0.178 -6.442) 7.405 13.412 ( -0.121 5.616 -6.848) 8.857 13.527 ( -6.212 -0.582 -8.446) 10.500 14.127 ( -0.889 2.698 1.608) 3.264 14.192 ( 5.323 4.081 -0.171) 6.710 14.377 ( 5.543 3.037 2.482) 6.791 14.566 ( 30.181 -3.110 -0.425) 30.344 16.138 ( -4.793 1.466 6.326) 8.071 16.246 ( -6.297 -3.334 7.219) 10.143 17.768 ( -0.045 2.298 -1.764) 2.897 17.812 ( -1.813 -0.343 1.869) 2.626 19.079 ( -15.142 4.969 27.795) 32.039 19.805 ( -38.890 -45.062 55.058) 81.082 22.665 ( -20.151 29.717 -37.011) 51.565 23.092 ( -2.199 -2.942 -14.918) 15.363 ======================= Grid point 55 (26/138) ======================= q-point: ( 0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 13.928 16.557 13.722) 25.621 1.065 ( 6.214 15.964 17.025) 24.152 1.600 ( 1.476 -12.763 9.569) 16.020 1.618 ( 10.433 3.536 21.110) 23.811 1.940 ( 10.230 -5.014 9.231) 14.663 2.234 ( -3.249 11.716 -5.440) 13.320 2.399 ( -10.030 0.165 -10.655) 14.634 2.694 ( 1.510 2.766 4.797) 5.739 2.806 ( 7.582 12.287 -7.280) 16.170 3.270 ( -4.337 -10.348 6.840) 13.141 3.280 ( 6.317 -8.038 7.722) 12.812 3.581 ( 4.314 -7.827 6.350) 10.963 3.635 ( 0.319 -2.136 4.979) 5.427 3.824 ( -2.855 3.313 -2.204) 4.897 3.883 ( -1.218 3.677 2.666) 4.702 4.023 ( -3.335 -0.011 0.086) 3.336 4.148 ( 3.810 -5.812 -4.824) 8.460 4.222 ( -1.992 -5.164 -8.222) 9.912 4.520 ( 2.282 3.221 3.061) 4.995 4.634 ( -3.496 0.815 2.731) 4.510 4.701 ( 2.546 -0.592 1.838) 3.195 4.811 ( -8.353 -1.970 6.193) 10.583 4.990 ( -2.296 -0.890 1.799) 3.050 4.998 ( -0.167 0.762 -1.791) 1.953 5.086 ( 1.316 0.388 -2.932) 3.237 5.144 ( -2.665 -2.490 1.156) 3.826 5.221 ( 1.137 2.651 -1.756) 3.377 5.282 ( 3.015 -0.687 -1.638) 3.499 5.833 ( 1.208 0.975 1.123) 1.916 5.990 ( 0.902 2.370 -1.156) 2.787 6.080 ( -2.397 -8.754 0.046) 9.077 6.181 ( -4.453 -3.576 1.570) 5.923 6.310 ( -0.232 -0.720 -1.676) 1.839 6.367 ( 1.329 -0.894 2.484) 2.955 6.374 ( 1.345 0.036 2.866) 3.166 6.441 ( -2.861 0.979 0.682) 3.099 6.504 ( 0.347 -4.818 -0.419) 4.848 6.668 ( -0.410 -5.370 1.388) 5.562 6.974 ( -4.431 8.209 2.808) 9.742 7.123 ( -3.678 0.680 6.766) 7.731 7.215 ( -5.636 2.515 3.159) 6.933 7.273 ( -8.945 -2.864 5.563) 10.916 7.497 ( 2.356 4.417 -6.339) 8.077 7.613 ( 3.115 -0.539 -1.656) 3.568 7.790 ( -0.292 2.680 4.712) 5.428 7.854 ( -2.041 -2.535 1.733) 3.688 8.297 ( -5.604 15.245 -6.193) 17.383 8.465 ( -2.350 2.466 -7.428) 8.172 8.636 ( -1.201 4.238 1.577) 4.679 8.864 ( -3.734 -0.455 1.696) 4.126 9.020 ( -7.006 -1.609 -2.696) 7.678 9.118 ( 7.640 -5.204 2.560) 9.592 9.508 ( 1.660 -3.875 5.961) 7.301 9.642 ( -5.477 -8.260 4.080) 10.718 10.044 ( -3.309 1.895 1.252) 4.013 10.107 ( -3.852 0.479 1.478) 4.153 13.094 ( -2.155 4.696 -5.214) 7.340 13.222 ( -0.084 -2.164 -6.736) 7.076 13.321 ( -4.073 2.052 -7.652) 8.908 13.354 ( -0.148 0.621 -6.691) 6.722 14.128 ( -0.976 3.334 2.345) 4.191 14.316 ( 4.824 -4.337 4.517) 7.905 14.599 ( 13.912 10.946 5.020) 18.400 15.176 ( 33.983 -14.557 -10.477) 38.426 16.138 ( -0.473 1.067 5.414) 5.539 16.216 ( -3.328 -2.184 6.894) 7.960 17.760 ( 0.884 2.096 -2.088) 3.088 17.808 ( 0.116 -0.431 1.056) 1.146 19.024 ( -14.457 4.046 24.647) 28.859 19.466 ( -37.608 -19.084 41.306) 59.032 22.003 ( -20.766 35.563 -16.332) 44.302 22.803 ( -14.318 -7.372 -16.714) 23.211 ======================= Grid point 56 (27/138) ======================= q-point: ( 0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 14.201 11.561 9.060) 20.431 1.361 ( 14.541 14.626 17.637) 27.137 1.762 ( 7.450 -4.655 8.830) 12.455 1.951 ( 12.340 -12.043 9.931) 19.898 2.135 ( 7.021 1.361 -1.860) 7.390 2.233 ( -0.881 2.331 -1.380) 2.848 2.338 ( 11.473 4.499 9.439) 15.523 2.764 ( 1.566 -8.124 2.859) 8.754 2.933 ( 9.835 14.071 -1.918) 17.275 3.247 ( -2.418 2.275 4.320) 5.448 3.414 ( 2.003 -3.945 4.210) 6.107 3.595 ( -6.496 -2.548 2.653) 7.466 3.695 ( -5.766 1.646 -0.830) 6.054 3.727 ( 5.600 -5.217 2.501) 8.052 3.850 ( -0.749 1.323 -2.729) 3.124 3.991 ( -0.715 -3.586 -3.048) 4.761 4.070 ( -5.570 -0.898 0.416) 5.657 4.254 ( 7.456 -5.886 -3.925) 10.278 4.580 ( -0.249 2.314 4.208) 4.809 4.623 ( -1.090 1.391 3.845) 4.231 4.727 ( -2.861 -0.169 4.054) 4.965 4.782 ( 0.349 -0.684 2.704) 2.810 4.924 ( -3.881 0.713 0.510) 3.978 5.003 ( -0.531 -1.980 -0.496) 2.109 5.059 ( -1.090 -1.028 -5.124) 5.339 5.095 ( -4.107 -2.341 0.698) 4.779 5.230 ( 1.939 4.219 -3.003) 5.530 5.290 ( -0.051 1.424 -2.596) 2.961 5.867 ( 0.479 1.055 2.127) 2.422 5.969 ( -1.165 -0.686 -3.289) 3.556 6.020 ( -5.891 -5.525 4.338) 9.168 6.122 ( -0.795 -6.455 -2.077) 6.828 6.296 ( -2.284 -1.156 3.589) 4.409 6.361 ( -3.028 0.523 -0.253) 3.083 6.445 ( 6.327 1.112 -4.239) 7.697 6.445 ( 3.747 -1.326 0.072) 3.975 6.483 ( -2.998 -1.312 2.728) 4.261 6.706 ( 3.014 -4.897 0.677) 5.790 6.885 ( -7.313 5.498 1.596) 9.287 7.044 ( -6.904 3.035 -2.367) 7.904 7.119 ( -9.009 0.509 10.359) 13.737 7.179 ( -6.295 -1.740 5.041) 8.250 7.485 ( 0.811 6.422 -3.689) 7.451 7.644 ( 0.958 1.558 0.662) 1.945 7.798 ( -0.370 7.263 1.255) 7.380 7.889 ( 0.653 -1.441 4.956) 5.203 8.129 ( -6.812 2.823 -7.560) 10.561 8.289 ( -12.516 -0.449 -3.857) 13.104 8.636 ( -1.248 2.934 1.980) 3.753 8.773 ( -6.582 -2.973 -1.686) 7.417 8.917 ( 0.153 6.023 -0.775) 6.074 9.216 ( -0.066 -1.610 4.816) 5.078 9.546 ( -1.460 -1.290 6.066) 6.371 9.669 ( 2.680 -10.313 3.414) 11.189 9.990 ( -4.022 1.180 1.451) 4.435 10.078 ( -1.181 -2.014 2.204) 3.211 13.025 ( -2.010 2.477 -2.831) 4.265 13.093 ( -4.863 -0.534 -5.542) 7.393 13.286 ( 2.735 0.634 -6.488) 7.069 13.313 ( 0.763 -0.356 -5.943) 6.002 14.125 ( -1.148 4.393 1.530) 4.792 14.414 ( 2.531 -8.858 3.433) 9.831 14.866 ( 11.035 14.749 4.285) 18.912 15.533 ( 15.983 -14.159 -7.687) 22.694 16.204 ( 3.002 0.528 5.046) 5.895 16.239 ( 0.482 -0.871 5.109) 5.205 17.770 ( 2.168 2.010 -2.057) 3.602 17.833 ( 1.959 -0.800 0.594) 2.198 18.973 ( -11.886 3.436 21.998) 25.238 19.220 ( -22.153 -6.715 28.984) 37.093 21.664 ( -10.358 21.671 -5.715) 24.690 22.399 ( -16.426 -9.733 -13.027) 23.114 ======================= Grid point 57 (28/138) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 11.896 10.111 8.227) 17.648 1.755 ( 11.978 14.060 15.890) 24.365 1.954 ( 6.511 0.006 6.391) 9.124 2.198 ( 8.909 -7.142 5.145) 12.524 2.240 ( 1.928 -1.806 -2.683) 3.766 2.298 ( 10.208 1.414 3.696) 10.948 2.599 ( 9.484 -3.012 1.395) 10.049 2.757 ( -3.057 -11.473 -1.971) 12.036 3.061 ( 3.909 10.075 0.648) 10.826 3.291 ( 2.692 6.555 5.269) 8.831 3.404 ( -1.640 2.816 -0.931) 3.389 3.476 ( -6.059 -6.190 0.282) 8.667 3.595 ( -4.796 -3.142 -4.749) 7.444 3.759 ( -1.760 -1.103 -2.081) 2.940 3.941 ( 8.833 2.710 2.675) 9.619 3.946 ( 0.966 0.065 -0.332) 1.023 4.093 ( 2.114 -4.076 7.712) 8.976 4.354 ( 8.045 -5.282 -6.261) 11.481 4.533 ( -5.293 4.467 -2.054) 7.224 4.639 ( -0.917 0.930 2.550) 2.865 4.728 ( -0.108 -0.133 3.935) 3.938 4.797 ( -1.291 -2.017 1.539) 2.846 4.878 ( -2.101 1.015 1.298) 2.670 4.955 ( -4.192 -1.474 -0.638) 4.489 4.965 ( -4.622 -1.156 -5.500) 7.277 5.004 ( -7.633 -2.249 4.636) 9.210 5.224 ( -0.771 2.494 -0.823) 2.736 5.280 ( 1.404 0.873 -1.117) 1.996 5.845 ( -3.934 1.950 1.114) 4.530 5.912 ( -0.963 0.354 -5.130) 5.232 5.987 ( -1.402 -3.024 2.796) 4.351 6.115 ( 1.336 -8.011 -3.274) 8.757 6.248 ( -4.738 -0.925 0.670) 4.873 6.329 ( -2.128 -0.604 1.464) 2.653 6.407 ( -3.613 1.134 1.037) 3.926 6.531 ( 3.728 -3.623 2.408) 5.729 6.556 ( 7.689 2.052 -3.976) 8.896 6.752 ( 1.035 -1.686 0.163) 1.985 6.793 ( -2.527 2.114 0.588) 3.346 6.931 ( -3.708 4.619 -1.021) 6.010 7.055 ( -7.675 0.125 10.450) 12.967 7.132 ( -4.195 -2.792 6.727) 8.405 7.469 ( 0.476 8.383 -3.450) 9.078 7.651 ( -3.380 4.801 4.131) 7.179 7.788 ( -0.443 0.164 -4.946) 4.968 7.890 ( -4.569 2.468 -6.348) 8.202 7.941 ( -6.592 -4.376 -1.168) 7.998 8.075 ( -7.434 -1.840 6.553) 10.079 8.632 ( -0.536 -0.057 2.016) 2.087 8.684 ( -2.037 -3.058 -0.642) 3.730 8.952 ( 1.700 10.328 1.906) 10.639 9.206 ( -4.763 0.570 5.263) 7.121 9.583 ( -0.573 -1.007 6.032) 6.143 9.722 ( 1.271 -7.417 0.981) 7.588 9.929 ( -3.863 2.089 1.159) 4.542 10.085 ( 0.143 -4.007 0.714) 4.073 12.980 ( -1.129 1.013 -1.607) 2.210 13.005 ( -1.591 0.006 -2.194) 2.710 13.276 ( 1.699 0.011 -6.041) 6.276 13.287 ( 1.601 -0.452 -5.854) 6.085 14.114 ( -1.004 5.160 0.785) 5.315 14.458 ( 0.420 -10.644 1.703) 10.788 15.037 ( 5.458 15.473 2.150) 16.547 15.665 ( 5.387 -11.432 -4.025) 13.263 16.301 ( 2.162 0.080 4.217) 4.739 16.307 ( 3.140 -0.114 5.628) 6.446 17.801 ( 2.926 2.025 -1.709) 3.948 17.879 ( 2.370 -1.136 0.638) 2.704 18.964 ( -8.345 2.629 20.718) 22.490 19.117 ( -13.817 -3.374 23.527) 27.492 21.498 ( -5.647 13.377 -1.830) 14.635 22.068 ( -10.946 -9.294 -7.409) 16.158 ======================= Grid point 58 (29/138) ======================= q-point: ( 0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.538 10.224 1.948) 10.421 1.938 ( -4.154 14.774 8.496) 17.541 2.067 ( -0.600 1.961 5.882) 6.230 2.224 ( -0.108 -3.870 -3.734) 5.379 2.348 ( 4.597 -8.888 3.166) 10.495 2.454 ( 0.211 3.786 1.327) 4.017 2.657 ( 2.953 -3.415 -5.493) 7.111 2.733 ( 4.073 -5.567 -0.178) 6.900 3.095 ( 0.329 3.657 -2.253) 4.308 3.270 ( -5.272 0.876 6.014) 8.045 3.385 ( -3.379 -13.844 -0.884) 14.277 3.423 ( -3.898 -1.058 -6.801) 7.910 3.551 ( 6.124 5.564 3.035) 8.813 3.734 ( 2.919 2.607 -5.895) 7.076 3.978 ( -0.663 4.198 3.418) 5.454 4.054 ( 0.995 2.639 0.272) 2.834 4.174 ( -0.732 -4.408 2.044) 4.914 4.383 ( 2.312 -3.143 -13.174) 13.739 4.468 ( 0.858 3.444 0.707) 3.619 4.636 ( -0.371 -0.681 -1.577) 1.757 4.692 ( -2.760 0.994 -3.998) 4.959 4.804 ( 0.755 -0.709 3.221) 3.383 4.858 ( -2.796 -1.228 3.571) 4.699 4.877 ( -1.823 -2.719 3.432) 4.743 4.914 ( -0.705 0.038 6.410) 6.449 4.949 ( -2.536 -1.391 6.175) 6.819 5.222 ( -0.310 2.098 3.010) 3.683 5.310 ( 1.571 -1.291 1.708) 2.656 5.788 ( -1.767 3.059 -1.694) 3.918 5.876 ( 1.136 2.568 -3.694) 4.640 5.978 ( 0.372 -4.313 -2.789) 5.150 6.071 ( -2.648 -4.096 -4.368) 6.547 6.215 ( -0.018 -2.869 2.078) 3.543 6.268 ( -3.916 -2.233 0.435) 4.529 6.393 ( -1.885 3.715 2.389) 4.803 6.577 ( -0.528 -4.046 0.655) 4.132 6.634 ( 4.194 -0.501 -3.770) 5.662 6.755 ( 0.490 -1.971 -1.965) 2.826 6.792 ( 1.029 3.577 0.468) 3.751 6.888 ( -2.032 5.025 0.733) 5.469 7.022 ( -4.384 1.293 9.373) 10.428 7.135 ( -2.661 -3.606 7.750) 8.952 7.429 ( -1.579 7.012 -5.077) 8.800 7.594 ( -3.277 3.525 0.709) 4.865 7.613 ( -7.232 -2.560 -6.691) 10.180 7.821 ( 3.880 -4.335 -4.826) 7.559 7.965 ( 2.297 2.775 5.508) 6.581 8.076 ( -1.176 -0.632 8.559) 8.662 8.631 ( -0.932 0.159 1.448) 1.729 8.693 ( 0.832 -3.578 3.583) 5.131 8.985 ( -0.142 10.204 2.592) 10.529 9.160 ( -4.373 2.082 5.044) 6.993 9.599 ( -2.285 -1.804 4.078) 5.011 9.734 ( -0.170 -6.399 0.010) 6.401 9.879 ( -2.466 3.600 0.387) 4.380 10.085 ( -0.221 -4.964 -0.874) 5.045 12.962 ( 0.301 1.043 -0.693) 1.288 12.997 ( 0.946 -0.357 0.833) 1.310 13.259 ( 1.881 -0.002 -5.757) 6.056 13.274 ( 2.160 -0.603 -5.878) 6.291 14.106 ( -0.440 5.385 0.612) 5.437 14.463 ( -0.663 -10.862 0.476) 10.892 15.091 ( -0.013 15.097 -0.715) 15.114 15.681 ( 0.489 -10.117 -4.412) 11.048 16.364 ( 0.448 0.556 5.161) 5.210 16.392 ( 0.836 -0.585 6.275) 6.358 17.836 ( 2.032 2.008 -1.094) 3.060 17.917 ( 1.038 -1.232 1.007) 1.900 18.997 ( -7.004 1.767 20.852) 22.067 19.098 ( -9.798 -2.204 24.404) 26.389 21.431 ( -1.200 10.739 0.123) 10.806 21.925 ( -0.580 -8.668 -1.800) 8.872 ======================= Grid point 59 (30/138) ======================= q-point: (-0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.023 14.335 -3.363) 19.657 1.802 ( -14.725 9.998 2.703) 18.002 2.004 ( -9.433 0.253 2.515) 9.766 2.146 ( -4.085 -9.259 -6.620) 12.093 2.326 ( -8.648 -4.435 -1.906) 9.904 2.424 ( -3.217 -0.103 2.470) 4.057 2.616 ( -1.065 1.346 -6.962) 7.170 2.842 ( 0.045 -7.691 5.890) 9.687 3.053 ( -1.678 0.974 -2.204) 2.936 3.237 ( -4.045 -0.988 0.557) 4.201 3.284 ( -1.005 4.812 -6.978) 8.536 3.417 ( 4.453 -2.047 1.166) 5.038 3.564 ( -4.957 3.744 -4.589) 7.724 3.766 ( 3.052 2.009 -3.348) 4.956 3.918 ( -3.177 1.075 1.035) 3.510 4.071 ( -1.334 0.631 2.854) 3.213 4.120 ( -2.801 -6.597 1.021) 7.239 4.308 ( 1.915 -3.774 -14.995) 15.581 4.483 ( -0.744 1.699 -0.270) 1.874 4.546 ( -0.001 -1.528 -5.619) 5.824 4.744 ( 4.391 5.014 2.668) 7.179 4.808 ( -4.958 -0.292 9.419) 10.648 4.862 ( -0.339 -3.378 2.205) 4.048 4.910 ( -0.177 -1.261 5.107) 5.263 4.992 ( 2.480 0.744 6.598) 7.088 5.072 ( 8.311 -2.065 6.583) 10.802 5.253 ( 0.844 2.706 3.232) 4.298 5.357 ( 0.875 -1.260 4.053) 4.333 5.766 ( 1.247 1.912 -1.965) 3.012 5.882 ( 3.056 2.317 -5.154) 6.425 5.975 ( 1.164 -3.176 -1.408) 3.663 5.991 ( -2.026 -3.478 -3.698) 5.465 6.212 ( -2.046 -2.566 -0.274) 3.293 6.245 ( 1.640 -3.998 -1.727) 4.654 6.349 ( -3.783 2.223 0.796) 4.459 6.524 ( -4.724 -4.669 -0.653) 6.674 6.663 ( 3.247 0.603 -3.766) 5.009 6.760 ( 1.468 -1.881 -3.416) 4.167 6.782 ( -2.145 3.995 0.717) 4.591 6.857 ( -1.959 4.308 1.197) 4.881 7.055 ( -0.525 2.440 8.896) 9.239 7.138 ( -2.890 -2.511 6.579) 7.612 7.369 ( -1.166 3.942 -1.807) 4.490 7.526 ( 3.424 -4.099 -6.510) 8.421 7.596 ( 2.358 8.125 -2.006) 8.694 7.859 ( 4.240 -1.525 -6.538) 7.940 8.085 ( 4.610 1.281 8.859) 10.068 8.178 ( 4.687 -2.558 12.648) 13.729 8.633 ( -0.605 1.805 2.297) 2.983 8.738 ( 0.137 -3.338 4.710) 5.774 8.991 ( -1.593 9.004 3.254) 9.705 9.146 ( -1.630 2.335 4.576) 5.389 9.568 ( -4.349 -1.119 2.681) 5.230 9.719 ( -1.249 -6.429 -0.845) 6.604 9.854 ( 0.254 2.904 -0.933) 3.060 10.057 ( -1.619 -6.011 -2.587) 6.741 12.983 ( 1.995 1.905 0.782) 2.867 13.044 ( 3.072 -0.685 2.137) 3.804 13.252 ( 2.639 0.088 -6.172) 6.713 13.270 ( 2.620 -0.628 -5.805) 6.400 14.109 ( -0.019 5.037 0.935) 5.123 14.444 ( -1.629 -10.232 -0.358) 10.367 15.027 ( -5.099 14.624 -3.806) 15.948 15.617 ( -2.174 -10.565 -7.837) 13.332 16.388 ( -2.920 0.744 5.991) 6.706 16.434 ( -1.910 -1.168 6.958) 7.309 17.849 ( 0.087 2.022 -0.417) 2.066 17.927 ( -1.087 -1.153 1.593) 2.247 19.038 ( -7.939 1.882 22.808) 24.223 19.158 ( -7.901 -3.008 29.656) 30.837 21.462 ( 4.171 13.260 1.515) 13.982 22.024 ( 11.240 -9.135 2.395) 14.681 ======================= Grid point 60 (31/138) ======================= q-point: (-0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -17.403 13.072 -2.146) 21.871 1.467 ( -22.744 9.077 -3.887) 24.795 1.808 ( -13.268 -5.851 1.076) 14.541 1.947 ( -12.994 -13.702 -5.481) 19.663 2.184 ( -6.930 -1.491 1.387) 7.223 2.363 ( -2.939 5.515 2.077) 6.585 2.538 ( -3.871 7.636 3.484) 9.243 2.787 ( -8.317 -4.229 1.948) 9.532 2.971 ( -2.400 7.029 -8.790) 11.508 3.174 ( 1.155 -4.041 -2.635) 4.961 3.285 ( 0.170 0.554 -3.145) 3.198 3.323 ( -7.436 -4.863 -5.689) 10.551 3.551 ( 2.188 4.793 -0.774) 5.326 3.767 ( 0.858 1.318 -1.092) 1.915 3.948 ( 2.126 -3.513 1.632) 4.418 4.049 ( -2.836 0.339 2.823) 4.016 4.125 ( 2.865 -6.082 -1.017) 6.800 4.234 ( 1.722 -3.181 -7.662) 8.474 4.450 ( -0.439 2.167 -2.438) 3.292 4.564 ( 3.228 -3.318 -3.596) 5.862 4.804 ( -2.170 0.088 7.726) 8.025 4.805 ( -2.255 0.766 6.699) 7.110 4.877 ( 0.296 1.899 0.637) 2.025 4.947 ( -0.240 -2.742 4.637) 5.392 5.077 ( 1.656 2.590 4.536) 5.480 5.221 ( 3.145 -2.063 3.057) 4.846 5.296 ( 1.433 3.015 1.887) 3.835 5.393 ( -1.160 0.085 5.186) 5.315 5.817 ( 5.842 -0.257 -0.563) 5.875 5.886 ( 2.151 1.025 -6.517) 6.939 5.948 ( -0.447 -2.127 2.518) 3.326 5.993 ( 0.838 -4.778 -2.657) 5.531 6.187 ( -0.004 -1.741 -1.579) 2.350 6.220 ( -1.318 0.101 -3.040) 3.315 6.316 ( 1.098 -4.152 -3.308) 5.421 6.441 ( -3.047 -5.080 -1.102) 6.025 6.643 ( -2.570 2.082 -5.687) 6.579 6.724 ( -0.671 -0.738 -1.333) 1.665 6.830 ( 4.301 1.291 4.243) 6.178 6.854 ( 0.681 3.575 1.235) 3.843 7.123 ( -0.090 3.382 8.100) 8.778 7.169 ( 1.351 -0.951 5.184) 5.441 7.370 ( 1.652 4.407 0.577) 4.741 7.565 ( 5.431 -4.432 -4.416) 8.285 7.633 ( 4.381 11.770 -4.758) 13.430 7.855 ( 1.514 0.654 -5.583) 5.822 8.233 ( 3.866 3.390 7.447) 9.049 8.457 ( 13.116 -4.477 13.893) 19.623 8.649 ( 0.110 3.219 4.513) 5.545 8.767 ( -0.511 -2.666 3.181) 4.182 8.995 ( -0.847 6.097 4.414) 7.574 9.162 ( -0.857 1.277 3.901) 4.193 9.498 ( -4.735 -0.676 2.339) 5.324 9.669 ( -3.817 -8.416 -1.939) 9.442 9.881 ( 3.604 0.935 -1.227) 3.920 9.987 ( -2.497 -4.449 -4.684) 6.926 13.041 ( 3.578 3.514 1.252) 5.169 13.142 ( 5.904 -0.959 3.012) 6.697 13.251 ( 3.081 0.255 -7.049) 7.697 13.273 ( 3.063 -0.580 -5.803) 6.587 14.117 ( -0.232 4.107 1.457) 4.364 14.395 ( -3.490 -8.653 -1.079) 9.393 14.855 ( -9.649 13.918 -6.683) 18.206 15.473 ( -4.603 -12.691 -14.516) 19.824 16.355 ( -6.266 1.115 6.531) 9.119 16.436 ( -4.023 -2.539 6.693) 8.212 17.836 ( -1.307 2.135 0.101) 2.505 17.907 ( -2.712 -0.980 2.248) 3.656 19.079 ( -9.296 2.626 25.699) 27.455 19.290 ( -8.171 -6.954 40.452) 41.851 21.612 ( 11.240 21.531 3.233) 24.502 22.335 ( 20.347 -9.494 3.702) 22.757 ======================= Grid point 61 (32/138) ======================= q-point: (-0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -21.685 11.693 -7.571) 25.774 1.005 ( -22.000 9.929 2.166) 24.234 1.601 ( -11.471 -11.746 4.350) 16.984 1.681 ( -15.536 -5.846 4.284) 17.143 1.987 ( -16.492 3.244 2.700) 17.024 2.400 ( 2.804 14.314 5.649) 15.641 2.652 ( 1.096 2.135 7.085) 7.480 2.671 ( 5.042 3.142 4.519) 7.464 2.860 ( -0.181 6.438 -14.811) 16.151 3.120 ( -6.824 -8.061 -2.614) 10.880 3.198 ( 0.909 -3.222 -0.684) 3.417 3.311 ( 1.284 -7.037 -0.904) 7.210 3.529 ( -2.366 -2.607 -0.601) 3.571 3.716 ( -4.190 0.394 -8.716) 9.679 3.956 ( -1.158 -1.270 1.257) 2.129 4.069 ( 1.066 -0.541 4.352) 4.513 4.182 ( 4.839 -3.016 -3.786) 6.845 4.248 ( 3.262 -4.397 -3.122) 6.302 4.436 ( 0.873 3.055 -1.085) 3.357 4.584 ( 2.675 -3.962 -3.641) 6.010 4.812 ( -3.167 0.412 7.498) 8.150 4.835 ( 0.199 0.275 3.241) 3.259 4.882 ( 0.393 1.945 0.713) 2.109 4.958 ( -1.232 -3.280 2.063) 4.066 5.129 ( -0.503 1.252 6.421) 6.561 5.242 ( -2.031 -1.990 1.998) 3.475 5.313 ( -0.975 2.788 0.586) 3.012 5.411 ( -1.831 0.647 7.094) 7.355 5.880 ( 1.079 -0.733 -2.293) 2.638 5.925 ( 1.449 -0.416 -3.312) 3.639 5.947 ( 3.372 -2.572 -0.917) 4.339 6.025 ( 3.255 -3.680 5.746) 7.560 6.164 ( 0.457 -1.345 -2.265) 2.674 6.214 ( 1.301 0.597 0.533) 1.528 6.326 ( 3.403 -5.438 -3.987) 7.553 6.399 ( -0.216 -5.454 -3.501) 6.484 6.544 ( -3.180 4.029 -3.724) 6.341 6.697 ( -1.633 -2.620 0.061) 3.088 6.883 ( 2.145 5.433 0.462) 5.860 6.961 ( 4.717 -0.980 5.117) 7.028 7.175 ( -0.335 3.768 6.036) 7.123 7.229 ( 0.353 0.901 3.956) 4.072 7.426 ( 3.878 4.995 0.379) 6.336 7.642 ( 2.851 3.374 -4.119) 6.040 7.670 ( 7.475 2.793 -3.788) 8.833 7.852 ( 1.297 0.398 -1.794) 2.249 8.307 ( 0.522 13.524 1.525) 13.619 8.666 ( 1.086 2.251 6.332) 6.807 8.770 ( 1.151 -3.763 -0.287) 3.946 8.827 ( 8.134 -1.903 14.562) 16.787 9.028 ( 0.222 2.248 3.309) 4.007 9.162 ( -2.619 -1.574 2.096) 3.706 9.494 ( -2.606 -7.590 -1.632) 8.189 9.530 ( -3.569 -7.806 1.980) 8.808 9.938 ( 2.213 2.929 -3.978) 5.413 9.951 ( 4.814 0.799 -0.381) 4.895 13.121 ( 4.875 6.046 -0.332) 7.774 13.236 ( 2.480 -0.163 -6.930) 7.363 13.289 ( 4.118 -0.007 -5.072) 6.533 13.313 ( 9.653 -0.822 2.657) 10.046 14.121 ( -0.805 2.815 2.002) 3.547 14.302 ( -5.729 -5.026 -1.818) 7.835 14.597 ( -12.057 11.289 -7.927) 18.321 15.193 ( -10.638 -14.971 -25.549) 31.465 16.281 ( -7.862 1.473 6.881) 10.552 16.395 ( -6.194 -4.024 5.632) 9.289 17.811 ( -1.479 2.300 0.028) 2.734 17.873 ( -3.289 -0.743 2.648) 4.287 19.109 ( -11.596 3.851 28.036) 30.583 19.528 ( -8.858 -19.784 57.534) 61.482 21.952 ( 25.240 35.239 6.520) 43.833 22.748 ( 22.770 -7.242 0.726) 23.906 ======================= Grid point 62 (33/138) ======================= q-point: (-0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -6.984 19.543 10.729) 23.363 0.733 ( -14.589 15.377 9.902) 23.395 1.435 ( -18.931 25.007 16.197) 35.300 1.538 ( -4.228 -20.978 9.187) 23.288 1.767 ( -6.825 -12.715 -0.294) 14.434 2.460 ( -1.392 18.834 2.170) 19.010 2.664 ( 2.373 7.349 1.790) 7.927 2.716 ( -1.846 3.044 -12.057) 12.572 2.993 ( 9.802 -0.545 6.986) 12.049 3.043 ( 0.413 -3.995 -2.917) 4.963 3.198 ( 0.880 -0.707 4.692) 4.826 3.317 ( -2.032 -12.850 4.548) 13.782 3.463 ( -6.419 -6.999 -0.184) 9.498 3.601 ( 4.827 -3.104 -6.223) 8.465 3.946 ( -1.667 4.115 2.180) 4.946 4.109 ( 0.782 -3.752 0.934) 3.945 4.197 ( -0.141 -2.467 -3.555) 4.329 4.290 ( 5.241 -6.928 -5.485) 10.274 4.461 ( 1.827 3.519 -0.291) 3.976 4.604 ( 2.130 -3.249 -2.072) 4.403 4.798 ( -4.406 1.171 4.232) 6.221 4.868 ( 2.648 0.473 1.432) 3.048 4.915 ( 2.268 0.752 1.038) 2.605 4.970 ( 2.153 -1.758 0.713) 2.870 5.135 ( -2.767 -1.782 1.854) 3.777 5.218 ( -4.631 -5.320 6.454) 9.560 5.281 ( -2.498 0.431 0.250) 2.547 5.413 ( -7.731 -8.394 6.647) 13.207 5.798 ( -4.862 7.122 1.132) 8.697 5.932 ( 1.960 2.383 -0.514) 3.128 6.077 ( 5.276 -3.116 2.157) 6.496 6.110 ( 5.169 1.630 4.465) 7.022 6.206 ( 1.698 -3.562 1.674) 4.286 6.263 ( 1.543 -3.424 6.069) 7.137 6.360 ( 0.447 -3.962 -0.086) 3.988 6.387 ( 5.426 -5.207 -6.216) 9.756 6.496 ( -0.591 4.509 0.293) 4.557 6.680 ( -1.205 -3.482 2.304) 4.346 6.934 ( 4.271 5.934 -1.375) 7.439 7.061 ( 2.148 -1.341 4.179) 4.886 7.205 ( -0.994 3.434 5.105) 6.232 7.263 ( 0.784 0.183 5.130) 5.193 7.489 ( 3.377 4.944 -1.808) 6.254 7.611 ( -0.417 2.317 -5.906) 6.358 7.818 ( 9.650 -0.962 -0.990) 9.749 7.825 ( -4.678 -0.337 1.555) 4.941 8.335 ( 4.858 16.754 -2.163) 17.578 8.671 ( -3.491 0.668 1.025) 3.699 8.813 ( 0.473 -2.960 3.045) 4.273 8.950 ( -6.966 -8.026 -0.144) 10.628 8.981 ( -10.893 -0.995 -7.446) 13.232 9.089 ( 1.300 -3.272 7.083) 7.910 9.365 ( -0.374 5.296 5.554) 7.683 9.694 ( 6.887 -6.831 3.380) 10.272 10.022 ( 9.460 7.729 -1.336) 12.289 10.039 ( 4.527 2.793 1.026) 5.418 13.189 ( 5.238 4.217 -7.482) 10.060 13.219 ( 2.292 0.250 -6.629) 7.018 13.356 ( 7.538 6.522 -1.874) 10.142 13.520 ( 9.568 -1.758 1.037) 9.784 14.124 ( -0.682 1.874 2.284) 3.032 14.173 ( -4.200 3.804 -4.153) 7.025 14.377 ( -5.850 3.408 -2.524) 7.226 14.680 ( -20.375 -7.812 -26.707) 34.488 16.198 ( -7.511 1.603 6.884) 10.313 16.317 ( -7.419 -4.139 5.965) 10.381 17.787 ( -0.841 2.385 -0.840) 2.665 17.837 ( -2.950 -0.496 2.510) 3.905 19.111 ( -14.013 5.018 29.177) 32.754 19.821 ( -17.423 -44.299 65.240) 80.760 22.619 ( 41.160 31.309 -3.900) 51.861 23.070 ( 14.383 -2.960 -6.956) 16.248 ======================= Grid point 63 (34/138) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.207 -23.141 9.356) 24.962 1.148 ( 0.207 23.141 9.356) 24.962 1.190 ( 2.372 -20.142 8.346) 21.931 1.190 ( 2.372 20.142 8.346) 21.931 2.208 ( -3.714 -32.536 12.993) 35.231 2.208 ( -3.714 32.536 12.993) 35.231 2.716 ( -10.808 -6.753 -8.059) 15.079 2.716 ( -10.808 6.753 -8.059) 15.079 2.939 ( 1.183 -16.327 3.744) 16.793 2.939 ( 1.183 16.327 3.744) 16.793 3.289 ( 2.553 -11.492 -1.623) 11.883 3.289 ( 2.553 11.492 -1.623) 11.883 3.566 ( 12.065 -9.729 4.543) 16.151 3.566 ( 12.065 9.729 4.543) 16.151 4.054 ( -1.073 -3.475 0.063) 3.637 4.054 ( -1.073 3.475 0.063) 3.637 4.134 ( -0.396 -7.346 -4.840) 8.806 4.134 ( -0.396 7.346 -4.840) 8.806 4.559 ( 1.639 -3.927 -0.268) 4.264 4.559 ( 1.639 3.927 -0.268) 4.264 4.796 ( -5.748 -5.079 4.837) 9.069 4.796 ( -5.748 5.079 4.837) 9.069 4.994 ( 2.557 -1.606 -0.775) 3.118 4.994 ( 2.557 1.606 -0.775) 3.118 5.128 ( -1.614 -2.265 1.392) 3.110 5.128 ( -1.614 2.265 1.392) 3.110 5.240 ( -1.262 -0.196 -0.666) 1.441 5.240 ( -1.262 0.196 -0.666) 1.441 5.941 ( -1.170 -8.146 -1.895) 8.445 5.941 ( -1.170 8.146 -1.895) 8.445 6.113 ( -1.278 -8.111 3.450) 8.906 6.113 ( -1.278 8.111 3.450) 8.906 6.301 ( 2.207 -1.431 6.652) 7.153 6.301 ( 2.207 1.431 6.652) 7.153 6.337 ( 3.147 -2.906 -2.785) 5.110 6.337 ( 3.147 2.906 -2.785) 5.110 6.579 ( -2.634 -5.258 1.573) 6.088 6.579 ( -2.634 5.258 1.573) 6.088 7.084 ( 1.487 -2.752 3.891) 4.992 7.084 ( 1.487 2.752 3.891) 4.992 7.286 ( -0.871 -2.341 5.386) 5.937 7.286 ( -0.871 2.341 5.386) 5.937 7.555 ( 1.825 -1.177 -5.041) 5.489 7.555 ( 1.825 1.177 -5.041) 5.489 7.826 ( -2.299 -4.496 0.791) 5.112 7.826 ( -2.299 4.496 0.791) 5.112 8.535 ( 1.286 -2.428 -4.580) 5.341 8.535 ( 1.286 2.428 -4.580) 5.341 8.760 ( -1.532 -5.048 3.048) 6.092 8.760 ( -1.532 5.048 3.048) 6.092 9.034 ( -1.902 -4.234 2.460) 5.253 9.034 ( -1.902 4.234 2.460) 5.253 9.575 ( -2.885 -8.323 1.680) 8.968 9.575 ( -2.885 8.323 1.680) 8.968 10.145 ( -0.884 -2.407 -0.203) 2.572 10.145 ( -0.884 2.407 -0.203) 2.572 13.210 ( 2.616 -0.887 -7.233) 7.742 13.210 ( 2.616 0.887 -7.233) 7.742 13.493 ( -3.947 -2.724 -7.402) 8.820 13.493 ( -3.947 2.724 -7.402) 8.820 14.184 ( 0.703 -2.759 1.572) 3.252 14.184 ( 0.703 2.759 1.572) 3.252 14.483 ( 15.973 -5.276 -0.999) 16.851 14.483 ( 15.973 5.276 -0.999) 16.851 16.182 ( -5.364 -2.788 6.758) 9.067 16.182 ( -5.364 2.788 6.758) 9.067 17.800 ( -1.007 -0.921 0.196) 1.379 17.800 ( -1.007 0.921 0.196) 1.379 19.269 ( -21.432 -15.027 38.415) 46.485 19.269 ( -21.432 15.027 38.415) 46.485 22.988 ( -5.973 -8.204 -22.335) 24.533 22.988 ( -5.973 8.204 -22.335) 24.533 ======================= Grid point 65 (35/138) ======================= q-point: ( 0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 7.750 -16.655 10.238) 21.030 1.291 ( 7.750 16.655 10.238) 21.030 1.356 ( 8.176 -11.977 11.884) 18.749 1.356 ( 8.176 11.977 11.884) 18.749 2.275 ( -0.260 -14.075 1.578) 14.166 2.275 ( -0.260 14.075 1.578) 14.166 2.490 ( -6.682 -15.603 3.044) 17.244 2.490 ( -6.682 15.603 3.044) 17.244 3.036 ( 5.037 -13.776 6.063) 15.872 3.036 ( 5.037 13.776 6.063) 15.872 3.345 ( 3.683 -12.577 1.639) 13.208 3.345 ( 3.683 12.577 1.639) 13.208 3.747 ( 5.369 -9.095 -0.999) 10.609 3.747 ( 5.369 9.095 -0.999) 10.609 3.997 ( -4.554 -3.859 -2.869) 6.623 3.997 ( -4.554 3.859 -2.869) 6.623 4.098 ( 0.119 -3.645 -1.667) 4.010 4.098 ( 0.119 3.645 -1.667) 4.010 4.596 ( 0.956 -3.734 3.050) 4.915 4.596 ( 0.956 3.734 3.050) 4.915 4.744 ( -3.111 -3.966 4.068) 6.477 4.744 ( -3.111 3.966 4.068) 6.477 4.986 ( -2.504 -0.583 0.547) 2.629 4.986 ( -2.504 0.583 0.547) 2.629 5.107 ( -0.712 -1.491 -1.745) 2.403 5.107 ( -0.712 1.491 -1.745) 2.403 5.268 ( 3.758 -1.460 -2.012) 4.506 5.268 ( 3.758 1.460 -2.012) 4.506 5.914 ( -1.329 -6.815 1.318) 7.067 5.914 ( -1.329 6.815 1.318) 7.067 6.075 ( -3.581 -5.660 -0.567) 6.722 6.075 ( -3.581 5.660 -0.567) 6.722 6.336 ( -0.384 -2.628 2.112) 3.394 6.336 ( -0.384 2.628 2.112) 3.394 6.407 ( 3.192 -3.801 1.129) 5.091 6.407 ( 3.192 3.801 1.129) 5.091 6.533 ( -1.919 -6.535 0.279) 6.816 6.533 ( -1.919 6.535 0.279) 6.816 7.099 ( -4.937 -3.702 5.810) 8.475 7.099 ( -4.937 3.702 5.810) 8.475 7.255 ( -6.403 -0.936 3.316) 7.271 7.255 ( -6.403 0.936 3.316) 7.271 7.582 ( 4.508 -2.975 -5.519) 7.722 7.582 ( 4.508 2.975 -5.519) 7.722 7.806 ( -0.391 -1.345 4.225) 4.451 7.806 ( -0.391 1.345 4.225) 4.451 8.482 ( -4.260 -2.421 -8.099) 9.466 8.482 ( -4.260 2.421 -8.099) 9.466 8.794 ( -1.811 -8.786 3.326) 9.568 8.794 ( -1.811 8.786 3.326) 9.568 9.002 ( 0.644 -2.107 -0.061) 2.204 9.002 ( 0.644 2.107 -0.061) 2.204 9.516 ( -4.309 -4.237 5.174) 7.955 9.516 ( -4.309 4.237 5.174) 7.955 10.087 ( -4.651 -1.968 1.551) 5.283 10.087 ( -4.651 1.968 1.551) 5.283 13.171 ( -1.652 -2.982 -6.579) 7.410 13.171 ( -1.652 2.982 -6.579) 7.410 13.352 ( -2.202 -0.909 -7.238) 7.620 13.352 ( -2.202 0.909 -7.238) 7.620 14.216 ( 0.734 -5.079 3.047) 5.968 14.216 ( 0.734 5.079 3.047) 5.968 14.868 ( 22.601 -14.954 0.393) 27.103 14.868 ( 22.601 14.954 0.393) 27.103 16.171 ( -1.493 -2.091 5.794) 6.338 16.171 ( -1.493 2.091 5.794) 6.338 17.793 ( 0.373 -1.119 -0.443) 1.259 17.793 ( 0.373 1.119 -0.443) 1.259 19.170 ( -20.215 -10.664 31.240) 38.708 19.170 ( -20.215 10.664 31.240) 38.708 22.551 ( -19.237 -18.692 -20.094) 33.514 22.551 ( -19.237 18.692 -20.094) 33.514 ======================= Grid point 67 (36/138) ======================= q-point: ( 0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.411 -8.584 6.863) 16.578 1.540 ( 12.411 8.584 6.863) 16.578 1.679 ( 14.803 -6.573 14.219) 21.553 1.679 ( 14.803 6.573 14.219) 21.553 2.242 ( 2.450 -3.462 -3.183) 5.303 2.242 ( 2.450 3.462 -3.183) 5.303 2.514 ( -1.268 -13.294 8.501) 15.831 2.514 ( -1.268 13.294 8.501) 15.831 3.188 ( 6.178 -10.411 4.657) 12.971 3.188 ( 6.178 10.411 4.657) 12.971 3.436 ( 1.832 -9.893 6.005) 11.717 3.436 ( 1.832 9.893 6.005) 11.717 3.737 ( -1.686 -1.171 -7.187) 7.474 3.737 ( -1.686 1.171 -7.187) 7.474 3.896 ( -1.213 -4.483 -4.625) 6.554 3.896 ( -1.213 4.483 -4.625) 6.554 4.110 ( 1.552 -5.842 1.458) 6.218 4.110 ( 1.552 5.842 1.458) 6.218 4.623 ( -1.200 -1.658 4.373) 4.828 4.623 ( -1.200 1.658 4.373) 4.828 4.749 ( -0.964 -2.165 3.754) 4.439 4.749 ( -0.964 2.165 3.754) 4.439 4.949 ( -2.406 -2.334 1.109) 3.531 4.949 ( -2.406 2.334 1.109) 3.531 5.060 ( -2.386 -1.215 -3.515) 4.419 5.060 ( -2.386 1.215 -3.515) 4.419 5.296 ( 1.295 -1.535 -3.215) 3.791 5.296 ( 1.295 1.535 -3.215) 3.791 5.916 ( -1.123 -3.932 4.262) 5.907 5.916 ( -1.123 3.932 4.262) 5.907 6.001 ( -2.457 -4.369 -3.597) 6.169 6.001 ( -2.457 4.369 -3.597) 6.169 6.341 ( -1.383 -4.305 2.217) 5.035 6.341 ( -1.383 4.305 2.217) 5.035 6.417 ( -0.788 -2.662 -0.577) 2.836 6.417 ( -0.788 2.662 -0.577) 2.836 6.569 ( 4.699 -6.894 0.821) 8.384 6.569 ( 4.699 6.894 0.821) 8.384 7.001 ( -8.089 -5.408 0.989) 9.781 7.001 ( -8.089 5.408 0.989) 9.781 7.162 ( -7.175 -1.861 5.461) 9.207 7.162 ( -7.175 1.861 5.461) 9.207 7.608 ( 2.684 -4.528 -3.054) 6.086 7.608 ( 2.684 4.528 -3.054) 6.086 7.868 ( 1.557 -0.961 5.648) 5.937 7.868 ( 1.557 0.961 5.648) 5.937 8.238 ( -14.561 -5.223 -8.573) 17.686 8.238 ( -14.561 5.223 -8.573) 17.686 8.704 ( -5.493 -3.624 -0.289) 6.587 8.704 ( -5.493 3.624 -0.289) 6.587 9.092 ( 4.344 -10.029 2.937) 11.317 9.092 ( 4.344 10.029 2.937) 11.317 9.535 ( 0.595 -1.565 5.907) 6.140 9.535 ( 0.595 1.565 5.907) 6.140 10.029 ( -3.665 -2.524 2.534) 5.121 10.029 ( -3.665 2.524 2.534) 5.121 13.070 ( -3.478 -1.768 -4.557) 5.999 13.070 ( -3.478 1.768 -4.557) 5.999 13.302 ( 1.329 -0.750 -6.428) 6.607 13.302 ( 1.329 0.750 -6.428) 6.607 14.247 ( 0.206 -7.457 2.291) 7.804 14.247 ( 0.206 7.457 2.291) 7.804 15.198 ( 14.008 -17.580 0.347) 22.481 15.198 ( 14.008 17.580 0.347) 22.481 16.220 ( 2.015 -0.960 4.840) 5.329 16.220 ( 2.015 0.960 4.840) 5.329 17.809 ( 1.941 -1.642 -0.710) 2.640 17.809 ( 1.941 1.642 -0.710) 2.640 19.077 ( -15.125 -6.670 24.823) 29.823 19.077 ( -15.125 6.670 24.823) 29.823 22.104 ( -16.130 -19.353 -11.872) 27.850 22.104 ( -16.130 19.353 -11.872) 27.850 ======================= Grid point 69 (37/138) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 11.836 -11.733 5.252) 17.474 1.814 ( 11.836 11.733 5.252) 17.474 2.027 ( 12.588 -6.940 9.400) 17.174 2.027 ( 12.588 6.940 9.400) 17.174 2.328 ( 3.840 -10.234 4.766) 11.924 2.328 ( 3.840 10.234 4.766) 11.924 2.533 ( 0.063 -4.224 2.064) 4.702 2.533 ( 0.063 4.224 2.064) 4.702 3.278 ( 0.307 -9.980 -0.205) 9.987 3.278 ( 0.307 9.980 -0.205) 9.987 3.399 ( -7.110 -4.720 -1.076) 8.601 3.399 ( -7.110 4.720 -1.076) 8.601 3.679 ( 2.153 -7.420 -4.615) 8.999 3.679 ( 2.153 7.420 -4.615) 8.999 3.942 ( 6.129 -3.647 2.931) 7.711 3.942 ( 6.129 3.647 2.931) 7.711 4.179 ( 5.529 -10.613 -0.545) 11.979 4.179 ( 5.529 10.613 -0.545) 11.979 4.616 ( -2.560 -3.154 0.824) 4.145 4.616 ( -2.560 3.154 0.824) 4.145 4.751 ( -1.528 -2.108 3.036) 3.999 4.751 ( -1.528 2.108 3.036) 3.999 4.909 ( -2.857 -2.261 0.086) 3.644 4.909 ( -2.857 2.261 0.086) 3.644 4.966 ( -6.350 -1.168 0.203) 6.460 4.966 ( -6.350 1.168 0.203) 6.460 5.273 ( -0.771 -1.703 -1.588) 2.453 5.273 ( -0.771 1.703 -1.588) 2.453 5.923 ( -0.777 -1.030 -2.046) 2.419 5.923 ( -0.777 1.030 -2.046) 2.419 5.951 ( -0.333 -5.403 0.226) 5.418 5.951 ( -0.333 5.403 0.226) 5.418 6.288 ( -4.712 -3.284 0.033) 5.744 6.288 ( -4.712 3.284 0.033) 5.744 6.445 ( 1.927 -3.472 3.156) 5.072 6.445 ( 1.927 3.472 3.156) 5.072 6.653 ( 4.689 -5.905 -3.008) 8.118 6.653 ( 4.689 5.905 -3.008) 8.118 6.895 ( -3.430 -5.730 1.069) 6.763 6.895 ( -3.430 5.730 1.069) 6.763 7.094 ( -6.288 -2.346 7.410) 9.997 7.094 ( -6.288 2.346 7.410) 9.997 7.628 ( 1.836 -6.057 -2.771) 6.909 7.628 ( 1.836 6.057 -2.771) 6.909 7.845 ( -12.007 -4.435 -2.856) 13.114 7.845 ( -12.007 4.435 -2.856) 13.114 7.990 ( -2.463 -5.884 2.966) 7.035 7.990 ( -2.463 5.884 2.966) 7.035 8.643 ( -1.576 -1.197 0.327) 2.006 8.643 ( -1.576 1.197 0.327) 2.006 9.151 ( -0.280 -7.388 3.480) 8.171 9.151 ( -0.280 7.388 3.480) 8.171 9.590 ( 0.672 -3.270 3.354) 4.732 9.590 ( 0.672 3.270 3.354) 4.732 9.997 ( -2.248 -4.282 2.176) 5.303 9.997 ( -2.248 4.282 2.176) 5.303 12.999 ( -1.496 -0.651 -2.151) 2.700 12.999 ( -1.496 0.651 -2.151) 2.700 13.278 ( 1.567 -0.286 -6.042) 6.249 13.278 ( 1.567 0.286 -6.042) 6.249 14.258 ( -0.407 -8.868 1.216) 8.960 14.258 ( -0.407 8.868 1.216) 8.960 15.370 ( 5.885 -16.659 -0.293) 17.670 15.370 ( 5.885 16.659 -0.293) 17.670 16.304 ( 2.701 -0.152 4.912) 5.608 16.304 ( 2.701 0.152 4.912) 5.608 17.845 ( 2.583 -2.083 -0.537) 3.361 17.845 ( 2.583 2.083 -0.537) 3.361 19.036 ( -10.664 -4.214 21.882) 24.704 19.036 ( -10.664 4.214 21.882) 24.704 21.809 ( -9.421 -15.538 -5.505) 18.987 21.809 ( -9.421 15.538 -5.505) 18.987 ======================= Grid point 71 (38/138) ======================= q-point: ( 0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.312 -9.925 0.390) 10.198 1.973 ( 2.312 9.925 0.390) 10.198 2.200 ( -1.557 -3.724 0.165) 4.040 2.200 ( -1.557 3.724 0.165) 4.040 2.357 ( -2.759 -19.907 7.242) 21.362 2.357 ( -2.759 19.907 7.242) 21.362 2.607 ( 4.394 -5.852 1.834) 7.544 2.607 ( 4.394 5.852 1.834) 7.544 3.177 ( -3.050 -5.227 -5.554) 8.214 3.177 ( -3.050 5.227 -5.554) 8.214 3.345 ( -1.169 -4.583 2.682) 5.437 3.345 ( -1.169 4.583 2.682) 5.437 3.710 ( 3.594 -6.826 -2.969) 8.266 3.710 ( 3.594 6.826 -2.969) 8.266 4.041 ( 1.513 -3.980 -1.042) 4.384 4.041 ( 1.513 3.980 -1.042) 4.384 4.239 ( 1.347 -9.673 -5.384) 11.152 4.239 ( 1.347 9.673 -5.384) 11.152 4.560 ( -2.182 -4.889 -1.370) 5.526 4.560 ( -2.182 4.889 -1.370) 5.526 4.759 ( 0.381 -3.742 2.393) 4.458 4.759 ( 0.381 3.742 2.393) 4.458 4.839 ( -2.825 -0.509 1.625) 3.299 4.839 ( -2.825 0.509 1.625) 3.299 4.924 ( -1.658 -0.819 7.358) 7.586 4.924 ( -1.658 0.819 7.358) 7.586 5.271 ( 0.267 -2.470 2.688) 3.660 5.271 ( 0.267 2.470 2.688) 3.660 5.882 ( 1.838 -5.080 -8.350) 9.945 5.882 ( 1.838 5.080 -8.350) 9.945 5.953 ( -1.925 -5.858 2.643) 6.709 5.953 ( -1.925 5.858 2.643) 6.709 6.218 ( -2.837 -2.407 0.241) 3.728 6.218 ( -2.837 2.407 0.241) 3.728 6.480 ( -1.553 -5.033 2.228) 5.719 6.480 ( -1.553 5.033 2.228) 5.719 6.681 ( 3.095 -3.950 -4.722) 6.891 6.681 ( 3.095 3.950 -4.722) 6.891 6.891 ( -0.275 -4.201 1.388) 4.432 6.891 ( -0.275 4.201 1.388) 4.432 7.068 ( -3.302 -3.066 8.376) 9.511 7.068 ( -3.302 3.066 8.376) 9.511 7.542 ( -6.963 -4.208 -6.789) 10.596 7.542 ( -6.963 4.208 -6.789) 10.596 7.708 ( 1.543 -6.493 -0.268) 6.679 7.708 ( 1.543 6.493 -0.268) 6.679 8.033 ( 0.563 -3.331 6.710) 7.513 8.033 ( 0.563 3.331 6.710) 7.513 8.646 ( 0.237 -1.397 2.559) 2.926 8.646 ( 0.237 1.397 2.559) 2.926 9.154 ( -1.992 -4.549 3.473) 6.060 9.154 ( -1.992 4.549 3.473) 6.060 9.605 ( -0.905 -3.916 1.394) 4.254 9.605 ( -0.905 3.916 1.394) 4.254 9.975 ( -1.914 -5.493 0.713) 5.860 9.975 ( -1.914 5.493 0.713) 5.860 12.984 ( 0.700 -0.950 -0.016) 1.180 12.984 ( 0.700 0.950 -0.016) 1.180 13.262 ( 2.020 -0.378 -5.842) 6.193 13.262 ( 2.020 0.378 -5.842) 6.193 14.256 ( -0.535 -9.223 0.620) 9.259 14.256 ( -0.535 9.223 0.620) 9.259 15.411 ( 0.230 -15.675 -2.560) 15.884 15.411 ( 0.230 15.675 -2.560) 15.884 16.378 ( 0.575 -0.772 5.751) 5.831 16.378 ( 0.575 0.772 5.751) 5.831 17.882 ( 1.532 -2.197 -0.045) 2.679 17.882 ( 1.532 2.197 -0.045) 2.679 19.045 ( -8.355 -2.771 22.409) 24.076 19.045 ( -8.355 2.771 22.409) 24.076 21.691 ( -0.857 -13.587 -0.907) 13.644 21.691 ( -0.857 13.587 -0.907) 13.644 ======================= Grid point 73 (39/138) ======================= q-point: (-0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -8.438 -11.258 -4.191) 14.680 1.899 ( -8.438 11.258 -4.191) 14.680 2.002 ( -15.844 -4.310 -3.194) 16.727 2.002 ( -15.844 4.310 -3.194) 16.727 2.338 ( -4.602 -8.506 1.478) 9.783 2.338 ( -4.602 8.506 1.478) 9.783 2.663 ( -0.186 -4.719 4.974) 6.859 2.663 ( -0.186 4.719 4.974) 6.859 3.149 ( 1.293 -5.884 -3.197) 6.820 3.149 ( 1.293 5.884 -3.197) 6.820 3.357 ( -0.924 -3.505 -0.642) 3.681 3.357 ( -0.924 3.505 -0.642) 3.681 3.727 ( 1.236 -9.080 -2.987) 9.639 3.727 ( 1.236 9.080 -2.987) 9.639 3.977 ( -3.463 -5.891 -2.406) 7.245 3.977 ( -3.463 5.891 -2.406) 7.245 4.174 ( -0.946 -8.527 -7.487) 11.387 4.174 ( -0.946 8.527 -7.487) 11.387 4.516 ( -0.991 -1.477 -1.838) 2.558 4.516 ( -0.991 1.477 -1.838) 2.558 4.788 ( -1.177 -0.711 4.456) 4.664 4.788 ( -1.177 0.711 4.456) 4.664 4.872 ( 0.666 -2.520 6.291) 6.810 4.872 ( 0.666 2.520 6.291) 6.810 5.020 ( 6.033 -2.414 5.884) 8.766 5.020 ( 6.033 2.414 5.884) 8.766 5.314 ( 0.918 -2.886 4.497) 5.422 5.314 ( 0.918 2.886 4.497) 5.422 5.861 ( 2.663 -6.049 -7.750) 10.185 5.861 ( 2.663 6.049 -7.750) 10.185 5.932 ( -1.369 -2.511 1.155) 3.084 5.932 ( -1.369 2.511 1.155) 3.084 6.190 ( -0.151 -1.540 -1.570) 2.205 6.190 ( -0.151 1.540 -1.570) 2.205 6.423 ( -5.127 -4.771 0.120) 7.004 6.423 ( -5.127 4.771 0.120) 7.004 6.708 ( 3.233 -2.965 -3.677) 5.723 6.708 ( 3.233 2.965 -3.677) 5.723 6.865 ( -2.868 -3.099 0.931) 4.324 6.865 ( -2.868 3.099 0.931) 4.324 7.099 ( -1.038 -1.783 7.870) 8.136 7.099 ( -1.038 1.783 7.870) 8.136 7.441 ( 0.832 -3.875 -4.244) 5.807 7.441 ( 0.832 3.875 -4.244) 5.807 7.771 ( 5.947 -7.336 -3.659) 10.128 7.771 ( 5.947 7.336 -3.659) 10.128 8.124 ( 3.117 -2.512 10.541) 11.276 8.124 ( 3.117 2.512 10.541) 11.276 8.679 ( 0.253 -2.615 4.057) 4.833 8.679 ( 0.253 2.615 4.057) 4.833 9.146 ( -2.045 -4.189 3.413) 5.778 9.146 ( -2.045 4.189 3.413) 5.778 9.584 ( -2.335 -4.347 0.293) 4.943 9.584 ( -2.335 4.347 0.293) 4.943 9.938 ( -1.808 -5.263 -1.107) 5.673 9.938 ( -1.808 5.263 -1.107) 5.673 13.021 ( 2.844 -1.637 1.512) 3.613 13.021 ( 2.844 1.637 1.512) 3.613 13.257 ( 2.688 -0.474 -6.012) 6.603 13.257 ( 2.688 0.474 -6.012) 6.603 14.250 ( -0.752 -8.672 0.409) 8.714 14.250 ( -0.752 8.672 0.409) 8.714 15.342 ( -4.172 -15.682 -6.031) 17.312 15.342 ( -4.172 15.682 -6.031) 17.312 16.408 ( -2.663 -1.221 6.519) 7.147 16.408 ( -2.663 1.221 6.519) 7.147 17.893 ( -0.448 -2.092 0.604) 2.224 17.893 ( -0.448 2.092 0.604) 2.224 19.091 ( -8.135 -3.249 25.617) 27.073 19.091 ( -8.135 3.249 25.617) 27.073 21.769 ( 9.029 -15.319 2.449) 17.949 21.769 ( 9.029 15.319 2.449) 17.949 ======================= Grid point 75 (40/138) ======================= q-point: (-0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -20.296 -9.057 -8.866) 23.928 1.595 ( -20.296 9.057 -8.866) 23.928 1.685 ( -15.746 -3.812 -1.245) 16.248 1.685 ( -15.746 3.812 -1.245) 16.248 2.311 ( 0.611 -9.615 4.890) 10.804 2.311 ( 0.611 9.615 4.890) 10.804 2.678 ( -3.890 -6.641 7.017) 10.415 2.678 ( -3.890 6.641 7.017) 10.415 3.114 ( -4.108 -4.869 -3.821) 7.428 3.114 ( -4.108 4.869 -3.821) 7.428 3.238 ( -5.750 -2.794 -4.771) 7.977 3.238 ( -5.750 2.794 -4.771) 7.977 3.718 ( 1.551 -9.445 -9.599) 13.556 3.718 ( 1.551 9.445 -9.599) 13.556 3.973 ( 2.557 -7.884 2.238) 8.585 3.973 ( 2.557 7.884 2.238) 8.585 4.124 ( 0.173 -6.013 -1.644) 6.236 4.124 ( 0.173 6.013 -1.644) 6.236 4.500 ( 0.873 -2.972 -2.674) 4.092 4.500 ( 0.873 2.972 -2.674) 4.092 4.802 ( -1.587 -0.541 5.921) 6.154 4.802 ( -1.587 0.541 5.921) 6.154 4.911 ( -1.268 -1.278 4.514) 4.859 4.911 ( -1.268 1.278 4.514) 4.859 5.153 ( 3.665 -4.370 2.907) 6.402 5.153 ( 3.665 4.370 2.907) 6.402 5.363 ( 0.607 -2.945 3.830) 4.869 5.363 ( 0.607 2.945 3.830) 4.869 5.854 ( 1.406 -3.384 -1.521) 3.967 5.854 ( 1.406 3.384 -1.521) 3.967 5.934 ( 1.444 -1.261 -1.640) 2.523 5.934 ( 1.444 1.261 -1.640) 2.523 6.178 ( 1.675 -1.747 -4.879) 5.446 6.178 ( 1.675 1.747 -4.879) 5.446 6.339 ( -3.444 -4.198 -0.392) 5.445 6.339 ( -3.444 4.198 -0.392) 5.445 6.695 ( -2.001 -2.327 -2.868) 4.200 6.695 ( -2.001 2.327 -2.868) 4.200 6.868 ( 2.214 -1.727 2.501) 3.761 6.868 ( 2.214 1.727 2.501) 3.761 7.160 ( 1.322 -0.712 6.654) 6.822 7.160 ( 1.322 0.712 6.654) 6.822 7.466 ( 4.212 -5.047 -2.427) 7.008 7.466 ( 4.212 5.047 -2.427) 7.008 7.820 ( 3.375 -5.113 -5.612) 8.309 7.820 ( 3.375 5.113 -5.612) 8.309 8.342 ( 11.103 -6.560 11.904) 17.550 8.342 ( 11.103 6.560 11.904) 17.550 8.712 ( -0.305 -2.875 4.262) 5.150 8.712 ( -0.305 2.875 4.262) 5.150 9.130 ( -3.007 -5.489 3.339) 7.094 9.130 ( -3.007 5.489 3.339) 7.094 9.515 ( -5.473 -4.052 -0.406) 6.822 9.515 ( -5.473 4.052 -0.406) 6.822 9.916 ( 1.202 -2.599 -1.719) 3.339 9.916 ( 1.202 2.599 -1.719) 3.339 13.107 ( 5.240 -2.595 2.211) 6.251 13.107 ( 5.240 2.595 2.211) 6.251 13.260 ( 3.251 -0.614 -6.480) 7.276 13.260 ( 3.251 0.614 -6.480) 7.276 14.233 ( -1.585 -7.176 0.354) 7.358 14.233 ( -1.585 7.176 0.354) 7.358 15.166 ( -8.484 -16.377 -10.555) 21.251 15.166 ( -8.484 16.377 -10.555) 21.251 16.388 ( -5.624 -2.091 6.846) 9.104 16.388 ( -5.624 2.091 6.846) 9.104 17.878 ( -1.927 -1.867 1.207) 2.941 17.878 ( -1.927 1.867 1.207) 2.941 19.160 ( -9.568 -5.388 30.998) 32.885 19.160 ( -9.568 5.388 30.998) 32.885 22.046 ( 19.200 -19.029 4.411) 27.390 22.046 ( 19.200 19.029 4.411) 27.390 ======================= Grid point 77 (41/138) ======================= q-point: (-0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -17.391 -3.157 -3.712) 18.061 1.178 ( -17.391 3.157 -3.712) 18.061 1.416 ( -13.492 -8.023 -0.717) 15.714 1.416 ( -13.492 8.023 -0.717) 15.714 2.390 ( -3.800 -21.015 9.466) 23.360 2.390 ( -3.800 21.015 9.466) 23.360 2.673 ( 0.003 -1.450 10.163) 10.266 2.673 ( 0.003 1.450 10.163) 10.266 2.952 ( -6.004 -9.429 -3.731) 11.784 2.952 ( -6.004 9.429 -3.731) 11.784 3.203 ( 3.209 -5.890 -3.451) 7.544 3.203 ( 3.209 5.890 -3.451) 7.544 3.602 ( -3.890 -9.370 -13.343) 16.762 3.602 ( -3.890 9.370 -13.343) 16.762 4.040 ( 3.073 -7.231 -0.625) 7.882 4.040 ( 3.073 7.231 -0.625) 7.882 4.140 ( 0.807 -4.236 1.022) 4.432 4.140 ( 0.807 4.236 1.022) 4.432 4.506 ( 2.172 -3.763 -2.071) 4.813 4.506 ( 2.172 3.763 -2.071) 4.813 4.825 ( -1.367 -1.007 6.160) 6.389 4.825 ( -1.367 1.007 6.160) 6.389 4.911 ( -0.974 -1.550 2.001) 2.712 4.911 ( -0.974 1.550 2.001) 2.712 5.187 ( -1.155 -3.489 0.985) 3.805 5.187 ( -1.155 3.489 0.985) 3.805 5.378 ( -2.267 -3.123 2.407) 4.548 5.378 ( -2.267 3.123 2.407) 4.548 5.901 ( 2.714 -3.084 4.419) 6.033 5.901 ( 2.714 3.084 4.419) 6.033 5.956 ( 2.707 -2.766 -1.242) 4.065 5.956 ( 2.707 2.766 -1.242) 4.065 6.175 ( 2.415 -3.135 -4.565) 6.042 6.175 ( 2.415 3.135 -4.565) 6.042 6.306 ( 0.434 -3.164 -1.523) 3.538 6.306 ( 0.434 3.164 -1.523) 3.538 6.630 ( -2.836 -3.997 -1.062) 5.015 6.630 ( -2.836 3.997 -1.062) 5.015 6.945 ( 3.570 -1.398 2.472) 4.561 6.945 ( 3.570 1.398 2.472) 4.561 7.226 ( 0.249 -1.340 4.958) 5.142 7.226 ( 0.249 1.340 4.958) 5.142 7.542 ( 5.803 -5.999 -1.914) 8.563 7.542 ( 5.803 5.999 -1.914) 8.563 7.812 ( 0.673 -4.405 -3.692) 5.786 7.812 ( 0.673 4.405 -3.692) 5.786 8.611 ( 7.856 -12.479 1.898) 14.868 8.611 ( 7.856 12.479 1.898) 14.868 8.747 ( 0.167 -4.229 8.380) 9.388 8.747 ( 0.167 4.229 8.380) 9.388 9.083 ( -4.940 -3.912 1.939) 6.593 9.083 ( -4.940 3.912 1.939) 6.593 9.436 ( -1.313 -2.898 2.150) 3.840 9.436 ( -1.313 2.898 2.150) 3.840 9.962 ( 5.083 -0.155 -0.540) 5.114 9.962 ( 5.083 0.155 -0.540) 5.114 13.214 ( 4.361 -2.626 -2.735) 5.779 13.214 ( 4.361 2.626 -2.735) 5.779 13.295 ( 7.287 -0.732 -2.161) 7.636 13.295 ( 7.287 0.732 -2.161) 7.636 14.200 ( -2.354 -4.797 0.529) 5.370 14.200 ( -2.354 4.797 0.529) 5.370 14.872 ( -13.145 -15.496 -15.237) 25.398 14.872 ( -13.145 15.496 -15.237) 25.398 16.325 ( -7.485 -2.840 6.916) 10.579 16.325 ( -7.485 2.840 6.916) 10.579 17.850 ( -2.320 -1.519 1.392) 3.103 17.850 ( -2.320 1.519 1.392) 3.103 19.239 ( -12.480 -9.553 37.442) 40.607 19.239 ( -12.480 9.553 37.442) 40.607 22.498 ( 27.711 -18.662 3.055) 33.548 22.498 ( 27.711 18.662 3.055) 33.548 ======================= Grid point 79 (42/138) ======================= q-point: (-0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.235 -9.346 7.828) 12.193 1.039 ( -0.235 9.346 7.828) 12.193 1.221 ( -8.516 -11.609 1.889) 14.521 1.221 ( -8.516 11.609 1.889) 14.521 2.273 ( -13.400 -33.754 10.822) 37.895 2.273 ( -13.400 33.754 10.822) 37.895 2.825 ( 1.950 -12.372 2.659) 12.804 2.825 ( 1.950 12.372 2.659) 12.804 2.908 ( 1.906 -13.034 2.907) 13.489 2.908 ( 1.906 13.034 2.907) 13.489 3.262 ( 3.483 -5.923 1.433) 7.018 3.262 ( 3.483 5.923 1.433) 7.018 3.426 ( -0.185 -11.379 -11.596) 16.247 3.426 ( -0.185 11.379 -11.596) 16.247 4.061 ( 0.993 -4.319 -2.110) 4.909 4.061 ( 0.993 4.319 -2.110) 4.909 4.155 ( 0.545 -2.105 -0.727) 2.293 4.155 ( 0.545 2.105 -0.727) 2.293 4.535 ( 2.195 -3.603 -1.364) 4.434 4.535 ( 2.195 3.603 -1.364) 4.434 4.836 ( -3.572 -2.568 6.490) 7.840 4.836 ( -3.572 2.568 6.490) 7.840 4.936 ( 3.543 -1.533 -0.946) 3.974 4.936 ( 3.543 1.533 -0.946) 3.974 5.152 ( -2.733 -2.595 1.054) 3.914 5.152 ( -2.733 2.595 1.054) 3.914 5.317 ( -5.587 -2.737 0.756) 6.267 5.317 ( -5.587 2.737 0.756) 6.267 5.963 ( 1.278 -7.198 -2.109) 7.608 5.963 ( 1.278 7.198 -2.109) 7.608 6.042 ( 3.121 -7.889 9.390) 12.655 6.042 ( 3.121 7.889 9.390) 12.655 6.205 ( 3.642 -4.768 0.060) 6.000 6.205 ( 3.642 4.768 0.060) 6.000 6.317 ( 2.273 -1.458 -2.694) 3.814 6.317 ( 2.273 1.458 -2.694) 3.814 6.593 ( -1.328 -4.828 1.158) 5.139 6.593 ( -1.328 4.828 1.158) 5.139 7.020 ( 3.115 -2.960 1.486) 4.547 7.020 ( 3.115 2.960 1.486) 4.547 7.252 ( -0.696 -1.367 4.462) 4.719 7.252 ( -0.696 1.367 4.462) 4.719 7.585 ( 0.881 -3.770 -4.231) 5.735 7.585 ( 0.881 3.770 -4.231) 5.735 7.819 ( 1.874 -0.559 0.161) 1.962 7.819 ( 1.874 0.559 0.161) 1.962 8.600 ( -3.414 -9.706 -4.675) 11.301 8.600 ( -3.414 9.706 -4.675) 11.301 8.791 ( -4.100 -2.636 5.608) 7.431 8.791 ( -4.100 2.636 5.608) 7.431 9.032 ( -1.456 -2.972 2.456) 4.121 9.032 ( -1.456 2.972 2.456) 4.121 9.528 ( 5.367 -9.057 3.879) 11.219 9.528 ( 5.367 9.057 3.879) 11.219 10.078 ( 7.046 -0.536 0.686) 7.100 10.078 ( 7.046 0.536 0.686) 7.100 13.220 ( 2.598 -0.309 -7.240) 7.698 13.220 ( 2.598 0.309 -7.240) 7.698 13.465 ( 9.706 -3.830 -0.202) 10.436 13.465 ( 9.706 3.830 -0.202) 10.436 14.171 ( -0.953 -2.388 0.555) 2.631 14.171 ( -0.953 2.388 0.555) 2.631 14.514 ( -10.994 -8.362 -13.147) 19.070 14.514 ( -10.994 8.362 -13.147) 19.070 16.244 ( -7.545 -2.987 7.011) 10.723 16.244 ( -7.545 2.987 7.011) 10.723 17.822 ( -1.905 -1.130 0.956) 2.413 17.822 ( -1.905 1.130 0.956) 2.413 19.295 ( -17.211 -14.482 41.174) 46.917 19.295 ( -17.211 14.482 41.174) 46.917 22.963 ( 22.101 -8.639 -7.981) 25.036 22.963 ( 22.101 8.639 -7.981) 25.036 ======================= Grid point 90 (43/138) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -9.446 0.000 22.238) 24.161 1.127 ( -4.506 0.000 27.201) 27.572 1.727 ( 0.327 0.000 36.946) 36.947 1.913 ( 1.716 0.000 -16.310) 16.400 2.034 ( -2.853 0.000 12.495) 12.817 2.208 ( 1.842 0.000 9.600) 9.775 2.241 ( -1.123 0.000 4.617) 4.752 2.553 ( -13.967 0.000 -14.385) 20.050 2.670 ( 0.656 0.000 6.392) 6.425 3.293 ( 8.727 0.000 5.147) 10.132 3.546 ( -3.454 0.000 4.289) 5.507 3.676 ( 4.383 0.000 1.688) 4.697 3.792 ( 3.087 0.000 -1.472) 3.420 3.901 ( 7.303 0.000 12.220) 14.236 3.957 ( -6.219 0.000 3.333) 7.056 3.996 ( 3.541 0.000 -5.560) 6.592 4.066 ( -2.029 0.000 -5.496) 5.859 4.168 ( -0.615 0.000 -5.419) 5.454 4.444 ( 4.478 0.000 -0.557) 4.513 4.648 ( -2.883 0.000 -3.348) 4.418 4.661 ( 6.158 0.000 -2.111) 6.510 4.865 ( 2.069 0.000 -1.009) 2.302 5.032 ( 2.468 0.000 0.596) 2.538 5.037 ( 0.491 0.000 -8.805) 8.818 5.109 ( -5.258 0.000 8.600) 10.080 5.205 ( -5.983 0.000 0.168) 5.985 5.347 ( -16.701 0.000 5.390) 17.549 5.366 ( -3.085 0.000 1.612) 3.481 5.836 ( 0.090 0.000 0.677) 0.683 5.864 ( 6.499 0.000 1.545) 6.680 6.072 ( 4.505 0.000 -11.933) 12.755 6.211 ( 1.011 0.000 0.200) 1.030 6.239 ( 1.203 0.000 1.349) 1.808 6.342 ( 3.192 0.000 -4.916) 5.861 6.453 ( -0.910 0.000 -0.078) 0.913 6.554 ( -6.376 0.000 1.935) 6.663 6.759 ( -3.718 0.000 10.574) 11.209 6.772 ( -3.012 0.000 1.388) 3.316 6.847 ( -1.145 0.000 -1.783) 2.119 7.204 ( 5.522 0.000 -11.875) 13.096 7.286 ( 1.929 0.000 -0.168) 1.936 7.321 ( -4.892 0.000 6.421) 8.072 7.539 ( 1.462 0.000 -1.370) 2.004 7.640 ( -1.119 0.000 -0.669) 1.304 7.898 ( -8.180 0.000 12.586) 15.011 7.899 ( 0.827 0.000 -0.425) 0.929 7.944 ( 7.661 0.000 -2.612) 8.094 8.451 ( -5.480 0.000 2.234) 5.918 8.657 ( -4.031 0.000 1.796) 4.413 8.956 ( -3.163 0.000 3.198) 4.498 9.026 ( 8.775 0.000 0.213) 8.778 9.127 ( -5.181 0.000 -1.655) 5.439 9.686 ( -3.372 0.000 9.699) 10.269 9.811 ( 0.109 0.000 2.851) 2.853 10.070 ( -0.487 0.000 3.414) 3.449 10.162 ( -0.914 0.000 6.238) 6.304 12.999 ( 0.279 0.000 -2.730) 2.744 13.076 ( 4.874 0.000 -7.667) 9.085 13.261 ( -1.024 0.000 -4.460) 4.577 13.316 ( -7.044 0.000 -11.551) 13.529 14.183 ( -3.172 0.000 6.396) 7.140 14.249 ( 9.529 0.000 8.153) 12.541 14.474 ( 3.262 0.000 6.501) 7.274 14.604 ( 26.479 0.000 1.302) 26.511 16.300 ( -7.225 0.000 11.006) 13.165 16.470 ( -7.643 0.000 11.776) 14.039 17.679 ( 0.287 0.000 -4.024) 4.035 17.852 ( -2.250 0.000 0.405) 2.286 19.632 ( -19.155 0.000 32.465) 37.695 21.294 ( -54.770 0.000 1.318) 54.786 21.468 ( 0.106 0.000 -0.120) 0.160 22.789 ( -1.645 0.000 -19.251) 19.321 ======================= Grid point 91 (44/138) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 8.759 0.000 23.030) 24.639 1.295 ( 0.331 0.000 23.169) 23.172 1.879 ( 5.282 0.000 -5.167) 7.389 1.885 ( -3.499 0.000 13.148) 13.606 2.225 ( 6.365 0.000 16.205) 17.411 2.229 ( -4.926 0.000 -4.463) 6.647 2.368 ( 4.241 0.000 20.469) 20.903 2.374 ( 7.128 0.000 -2.738) 7.636 2.793 ( 7.143 0.000 7.651) 10.467 3.407 ( -11.829 0.000 -2.638) 12.120 3.433 ( 2.154 0.000 3.474) 4.088 3.714 ( 1.648 0.000 -3.019) 3.440 3.770 ( -0.226 0.000 -3.114) 3.122 3.846 ( -7.624 0.000 0.892) 7.676 3.991 ( -4.722 0.000 6.226) 7.814 4.002 ( -1.609 0.000 -4.314) 4.604 4.079 ( 7.849 0.000 -5.836) 9.781 4.168 ( 1.238 0.000 5.251) 5.395 4.550 ( 4.466 0.000 2.589) 5.162 4.601 ( 0.392 0.000 -3.301) 3.325 4.740 ( 4.445 0.000 -2.913) 5.314 4.902 ( -7.859 0.000 -2.824) 8.351 4.908 ( 4.301 0.000 -1.314) 4.497 5.048 ( -6.134 0.000 1.181) 6.247 5.058 ( -3.658 0.000 4.948) 6.153 5.118 ( 1.033 0.000 0.145) 1.043 5.251 ( -4.117 0.000 5.362) 6.760 5.321 ( -3.304 0.000 1.263) 3.537 5.870 ( 1.778 0.000 3.001) 3.488 5.924 ( 0.989 0.000 -3.387) 3.529 6.070 ( 5.129 0.000 -11.921) 12.978 6.253 ( -2.771 0.000 2.266) 3.579 6.268 ( 3.623 0.000 3.968) 5.374 6.349 ( 2.803 0.000 -7.401) 7.914 6.403 ( -4.030 0.000 1.510) 4.303 6.487 ( -0.796 0.000 1.518) 1.714 6.626 ( -9.110 0.000 0.687) 9.136 6.777 ( -2.596 0.000 9.502) 9.850 6.871 ( 0.609 0.000 0.970) 1.145 7.185 ( -12.586 0.000 -1.371) 12.661 7.201 ( 5.438 0.000 -13.135) 14.216 7.318 ( -0.128 0.000 2.993) 2.995 7.516 ( -9.905 0.000 3.600) 10.539 7.545 ( 2.764 0.000 -6.455) 7.022 7.825 ( -9.491 0.000 11.956) 15.265 7.927 ( 0.742 0.000 2.172) 2.295 8.070 ( 3.634 0.000 1.470) 3.920 8.432 ( -1.961 0.000 4.881) 5.260 8.631 ( -0.436 0.000 2.971) 3.003 8.893 ( -5.302 0.000 0.777) 5.359 8.940 ( -9.945 0.000 -5.565) 11.396 9.226 ( 8.295 0.000 2.586) 8.689 9.690 ( -3.348 0.000 8.174) 8.833 9.828 ( -0.640 0.000 2.358) 2.444 10.064 ( -3.074 0.000 2.946) 4.258 10.153 ( -3.888 0.000 5.233) 6.519 12.983 ( -0.029 0.000 -1.922) 1.922 13.108 ( 5.238 0.000 -7.658) 9.278 13.113 ( -5.858 0.000 -8.220) 10.093 13.213 ( 0.763 0.000 -6.846) 6.888 14.156 ( -3.950 0.000 4.001) 5.622 14.513 ( 11.567 0.000 7.328) 13.693 14.583 ( 3.197 0.000 5.140) 6.053 15.116 ( 29.014 0.000 -5.497) 29.530 16.296 ( -2.942 0.000 11.184) 11.565 16.436 ( -6.700 0.000 11.870) 13.631 17.664 ( 1.932 0.000 -4.510) 4.907 17.832 ( 0.136 0.000 -0.148) 0.200 19.545 ( -18.949 0.000 31.335) 36.619 20.422 ( -49.891 0.000 23.775) 55.266 21.453 ( -1.793 0.000 0.246) 1.810 22.537 ( -9.113 0.000 -17.690) 19.899 ======================= Grid point 92 (45/138) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 6.332 0.000 19.151) 20.171 1.586 ( 14.879 0.000 21.095) 25.815 1.937 ( 1.144 0.000 6.881) 6.975 2.008 ( 8.987 0.000 1.441) 9.102 2.207 ( 5.863 0.000 -0.078) 5.864 2.404 ( 3.933 0.000 8.986) 9.809 2.529 ( 8.745 0.000 -1.584) 8.888 2.596 ( 2.010 0.000 13.914) 14.059 3.030 ( 12.481 0.000 6.257) 13.962 3.135 ( -12.679 0.000 -6.104) 14.072 3.431 ( -1.979 0.000 -0.684) 2.094 3.692 ( -7.613 0.000 0.090) 7.614 3.714 ( -0.018 0.000 -0.707) 0.707 3.840 ( 4.493 0.000 4.494) 6.355 3.898 ( -7.772 0.000 0.037) 7.772 3.955 ( -0.501 0.000 0.114) 0.513 4.130 ( 6.487 0.000 -12.303) 13.909 4.264 ( 1.014 0.000 11.289) 11.334 4.551 ( -4.941 0.000 -1.967) 5.318 4.579 ( 0.759 0.000 -7.248) 7.287 4.745 ( 1.508 0.000 -9.712) 9.828 4.795 ( -2.088 0.000 -1.584) 2.621 4.944 ( -4.126 0.000 2.000) 4.585 4.978 ( 2.199 0.000 0.477) 2.250 5.042 ( -3.662 0.000 7.375) 8.234 5.181 ( 2.989 0.000 4.205) 5.159 5.216 ( -5.318 0.000 6.012) 8.026 5.291 ( -1.596 0.000 3.679) 4.010 5.864 ( -2.632 0.000 -6.944) 7.426 5.915 ( -0.928 0.000 2.869) 3.016 6.043 ( 2.448 0.000 -12.798) 13.030 6.174 ( -6.269 0.000 3.133) 7.009 6.303 ( 0.638 0.000 -8.910) 8.933 6.368 ( 2.369 0.000 1.278) 2.692 6.374 ( -1.944 0.000 4.752) 5.134 6.520 ( -3.429 0.000 3.275) 4.741 6.563 ( 4.752 0.000 4.632) 6.636 6.817 ( -0.896 0.000 7.758) 7.809 6.871 ( -2.169 0.000 3.017) 3.716 6.933 ( -11.255 0.000 -2.894) 11.621 7.189 ( 4.527 0.000 -11.871) 12.705 7.319 ( -3.969 0.000 5.965) 7.165 7.403 ( -7.712 0.000 6.994) 10.411 7.544 ( 6.113 0.000 -12.635) 14.036 7.757 ( -7.444 0.000 8.378) 11.208 7.912 ( -3.916 0.000 -0.859) 4.010 8.067 ( -4.872 0.000 2.948) 5.695 8.388 ( -10.514 0.000 6.579) 12.402 8.687 ( 1.283 0.000 5.980) 6.116 8.781 ( -1.505 0.000 -1.179) 1.912 8.807 ( -3.460 0.000 -0.371) 3.480 9.334 ( 0.448 0.000 4.595) 4.617 9.712 ( -1.344 0.000 8.179) 8.289 9.825 ( -1.327 0.000 1.447) 1.964 10.011 ( -4.983 0.000 2.046) 5.387 10.130 ( -2.350 0.000 2.759) 3.624 12.954 ( -1.097 0.000 -3.701) 3.860 13.009 ( -1.188 0.000 -1.370) 1.814 13.131 ( 4.198 0.000 -7.783) 8.843 13.177 ( 1.598 0.000 -7.420) 7.590 14.115 ( -3.385 0.000 2.197) 4.036 14.646 ( 0.605 0.000 2.097) 2.183 14.740 ( 8.258 0.000 4.804) 9.553 15.481 ( 18.232 0.000 -7.710) 19.795 16.368 ( 0.467 0.000 11.160) 11.170 16.431 ( -4.246 0.000 12.220) 12.936 17.679 ( 3.678 0.000 -4.230) 5.605 17.856 ( 2.465 0.000 -0.117) 2.468 19.479 ( -16.241 0.000 31.420) 35.369 19.937 ( -31.391 0.000 31.007) 44.123 21.413 ( -3.038 0.000 0.743) 3.128 22.235 ( -10.234 0.000 -12.803) 16.391 ======================= Grid point 93 (46/138) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.123 0.000 14.588) 14.919 1.898 ( 0.753 0.000 14.349) 14.368 2.078 ( 9.942 0.000 8.486) 13.071 2.127 ( 6.149 0.000 -3.251) 6.956 2.425 ( 10.698 0.000 10.699) 15.130 2.499 ( -1.002 0.000 5.738) 5.825 2.550 ( -0.529 0.000 -8.558) 8.575 2.623 ( -3.386 0.000 -1.067) 3.550 3.006 ( 2.106 0.000 1.517) 2.596 3.229 ( 5.400 0.000 -5.593) 7.774 3.394 ( -1.218 0.000 -1.360) 1.826 3.618 ( -3.337 0.000 9.104) 9.696 3.645 ( -8.401 0.000 -5.968) 10.305 3.785 ( -1.069 0.000 -0.865) 1.375 3.897 ( 0.461 0.000 5.777) 5.796 4.053 ( 4.089 0.000 5.425) 6.793 4.125 ( 6.998 0.000 -18.243) 19.539 4.329 ( -2.897 0.000 5.298) 6.038 4.422 ( -5.642 0.000 -0.879) 5.710 4.529 ( 1.913 0.000 -6.687) 6.955 4.644 ( -2.008 0.000 -13.882) 14.026 4.788 ( 2.846 0.000 -1.304) 3.130 4.927 ( -0.761 0.000 2.618) 2.727 4.985 ( -1.227 0.000 1.753) 2.140 5.066 ( -2.906 0.000 14.178) 14.473 5.163 ( -6.647 0.000 8.587) 10.860 5.280 ( 2.888 0.000 5.367) 6.095 5.320 ( -0.523 0.000 7.057) 7.077 5.746 ( -2.615 0.000 -9.616) 9.965 5.860 ( -5.304 0.000 1.321) 5.466 5.948 ( 0.218 0.000 -14.587) 14.589 6.131 ( -2.990 0.000 4.375) 5.299 6.255 ( 0.921 0.000 -4.759) 4.848 6.353 ( -2.327 0.000 -1.027) 2.543 6.393 ( -1.156 0.000 5.055) 5.186 6.565 ( 3.114 0.000 2.701) 4.122 6.662 ( 1.377 0.000 3.943) 4.176 6.785 ( -3.969 0.000 -2.087) 4.484 6.850 ( -3.486 0.000 4.874) 5.992 6.859 ( -1.220 0.000 7.151) 7.255 7.177 ( 3.984 0.000 -9.856) 10.631 7.273 ( -7.260 0.000 7.915) 10.740 7.352 ( -4.594 0.000 7.264) 8.594 7.562 ( 8.829 0.000 -17.397) 19.509 7.678 ( -6.573 0.000 1.997) 6.869 7.756 ( -11.267 0.000 -3.127) 11.693 8.025 ( -2.851 0.000 8.654) 9.112 8.252 ( -6.893 0.000 5.543) 8.845 8.693 ( -3.071 0.000 2.255) 3.810 8.822 ( 1.440 0.000 4.950) 5.155 8.836 ( 3.238 0.000 5.341) 6.246 9.324 ( -5.592 0.000 6.201) 8.350 9.761 ( -1.377 0.000 8.352) 8.464 9.804 ( -1.741 0.000 0.256) 1.759 9.929 ( -5.496 0.000 1.146) 5.614 10.109 ( -0.992 0.000 -0.590) 1.155 12.920 ( 0.672 0.000 -2.736) 2.817 13.009 ( 0.195 0.000 1.824) 1.834 13.131 ( 2.958 0.000 -7.885) 8.422 13.155 ( 2.429 0.000 -6.889) 7.304 14.080 ( -1.911 0.000 1.407) 2.373 14.646 ( -1.081 0.000 -0.097) 1.086 14.867 ( 3.097 0.000 1.701) 3.534 15.641 ( 7.546 0.000 -8.107) 11.075 16.451 ( -0.805 0.000 10.324) 10.356 16.499 ( -0.134 0.000 13.008) 13.009 17.724 ( 4.562 0.000 -3.368) 5.670 17.907 ( 3.027 0.000 0.210) 3.035 19.475 ( -12.803 0.000 31.776) 34.259 19.759 ( -18.992 0.000 34.184) 39.106 21.365 ( -3.030 0.000 1.057) 3.209 22.016 ( -4.927 0.000 -6.806) 8.403 ======================= Grid point 94 (47/138) ======================= q-point: (-0.56 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -13.212 0.000 2.993) 13.547 1.924 ( -6.184 0.000 8.046) 10.147 2.168 ( 1.589 0.000 -7.931) 8.089 2.245 ( -7.460 0.000 10.944) 13.245 2.444 ( -0.305 0.000 -3.791) 3.804 2.518 ( -1.373 0.000 7.320) 7.447 2.540 ( -3.788 0.000 -3.211) 4.966 2.715 ( 12.095 0.000 6.672) 13.813 3.139 ( -4.376 0.000 -11.537) 12.339 3.157 ( 9.376 0.000 4.913) 10.586 3.335 ( -7.568 0.000 2.161) 7.870 3.377 ( -9.902 0.000 -12.411) 15.877 3.621 ( -2.177 0.000 1.945) 2.920 3.810 ( 2.980 0.000 -0.807) 3.087 4.002 ( -7.569 0.000 2.371) 7.931 4.074 ( 4.020 0.000 8.030) 8.980 4.089 ( 5.456 0.000 -19.074) 19.839 4.260 ( -2.447 0.000 -2.469) 3.477 4.389 ( 1.428 0.000 0.453) 1.498 4.482 ( -3.028 0.000 -12.587) 12.946 4.566 ( 4.273 0.000 0.936) 4.375 4.918 ( 8.632 0.000 5.354) 10.157 4.937 ( -0.581 0.000 1.785) 1.877 4.990 ( -0.250 0.000 3.565) 3.574 5.131 ( -3.318 0.000 11.391) 11.864 5.162 ( -2.708 0.000 15.905) 16.134 5.325 ( -3.421 0.000 7.620) 8.353 5.386 ( 1.993 0.000 5.509) 5.858 5.642 ( 0.939 0.000 -12.100) 12.137 5.820 ( -0.844 0.000 3.530) 3.630 5.877 ( 3.864 0.000 -10.409) 11.103 6.102 ( -3.852 0.000 3.129) 4.963 6.259 ( 2.358 0.000 -2.617) 3.523 6.302 ( -2.921 0.000 0.191) 2.927 6.382 ( -4.090 0.000 2.699) 4.900 6.607 ( 1.020 0.000 -2.415) 2.622 6.657 ( -4.177 0.000 1.097) 4.318 6.721 ( -1.275 0.000 -3.767) 3.977 6.832 ( -3.439 0.000 6.009) 6.923 6.875 ( -3.466 0.000 6.653) 7.502 7.172 ( 4.413 0.000 -10.823) 11.688 7.211 ( -6.357 0.000 9.604) 11.518 7.346 ( -2.861 0.000 6.443) 7.050 7.528 ( -0.670 0.000 -8.742) 8.767 7.558 ( -6.747 0.000 -1.128) 6.841 7.620 ( 4.342 0.000 -9.834) 10.750 8.117 ( 2.944 0.000 11.797) 12.159 8.258 ( 1.895 0.000 6.836) 7.094 8.667 ( -1.906 0.000 2.427) 3.086 8.873 ( -0.892 0.000 5.865) 5.933 8.935 ( 1.898 0.000 7.273) 7.517 9.269 ( -5.875 0.000 7.118) 9.229 9.763 ( -5.726 0.000 7.010) 9.051 9.776 ( -0.869 0.000 -0.749) 1.148 9.848 ( -4.093 0.000 0.449) 4.118 10.086 ( -0.125 0.000 -3.247) 3.249 12.932 ( 2.040 0.000 -0.882) 2.222 13.038 ( 1.168 0.000 2.261) 2.544 13.118 ( 2.661 0.000 -7.616) 8.067 13.151 ( 2.847 0.000 -6.338) 6.948 14.075 ( -0.236 0.000 2.045) 2.059 14.618 ( -1.459 0.000 -0.964) 1.749 14.874 ( -2.472 0.000 -1.285) 2.786 15.636 ( 0.289 0.000 -9.795) 9.799 16.514 ( -1.708 0.000 10.412) 10.551 16.588 ( -1.678 0.000 12.431) 12.544 17.774 ( 3.491 0.000 -2.605) 4.356 17.955 ( 1.790 0.000 0.740) 1.937 19.519 ( -11.104 0.000 31.809) 33.691 19.795 ( -10.247 0.000 39.307) 40.621 21.331 ( -1.613 0.000 1.041) 1.920 21.977 ( 4.642 0.000 -1.928) 5.026 ======================= Grid point 95 (48/138) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -13.912 0.000 5.706) 15.037 1.762 ( -20.240 0.000 2.888) 20.445 2.057 ( -10.213 0.000 1.147) 10.277 2.128 ( 2.526 0.000 -8.153) 8.535 2.377 ( -9.933 0.000 1.964) 10.125 2.463 ( -8.393 0.000 5.387) 9.973 2.491 ( -2.190 0.000 0.521) 2.251 2.903 ( -4.047 0.000 -1.544) 4.332 2.954 ( -6.574 0.000 -10.178) 12.117 3.105 ( 4.334 0.000 -5.792) 7.234 3.186 ( -9.223 0.000 3.835) 9.988 3.472 ( 11.442 0.000 6.779) 13.299 3.514 ( -11.661 0.000 -1.464) 11.752 3.854 ( 2.494 0.000 -0.815) 2.623 3.893 ( 3.607 0.000 -6.036) 7.031 4.006 ( 2.032 0.000 -17.495) 17.612 4.142 ( -2.705 0.000 7.717) 8.177 4.265 ( -0.706 0.000 2.036) 2.155 4.351 ( 0.657 0.000 -8.868) 8.892 4.463 ( 3.948 0.000 -2.161) 4.501 4.688 ( 6.115 0.000 4.376) 7.519 4.918 ( -2.931 0.000 1.160) 3.153 5.030 ( 0.930 0.000 3.338) 3.465 5.059 ( -0.785 0.000 9.195) 9.229 5.195 ( 1.725 0.000 5.672) 5.928 5.247 ( -1.524 0.000 16.270) 16.342 5.319 ( -3.027 0.000 6.865) 7.503 5.454 ( 0.495 0.000 5.518) 5.540 5.600 ( 5.144 0.000 -11.009) 12.152 5.868 ( 1.235 0.000 5.826) 5.955 5.920 ( 7.288 0.000 -5.602) 9.192 6.058 ( -3.067 0.000 3.150) 4.397 6.230 ( -3.055 0.000 -0.278) 3.067 6.298 ( -6.393 0.000 1.270) 6.518 6.313 ( 3.102 0.000 -1.244) 3.342 6.544 ( -7.046 0.000 -2.039) 7.335 6.572 ( -0.730 0.000 -5.924) 5.969 6.682 ( 0.803 0.000 -4.699) 4.767 6.847 ( 0.568 0.000 7.292) 7.314 6.855 ( -3.795 0.000 5.505) 6.686 7.175 ( 5.474 0.000 -8.652) 10.239 7.211 ( -2.205 0.000 6.986) 7.326 7.332 ( -4.100 0.000 5.483) 6.846 7.470 ( -0.372 0.000 -2.654) 2.680 7.520 ( 1.428 0.000 0.511) 1.517 7.624 ( 6.021 0.000 -12.889) 14.226 8.262 ( 2.196 0.000 9.675) 9.921 8.433 ( 10.991 0.000 8.480) 13.882 8.665 ( -0.931 0.000 4.464) 4.560 8.883 ( -2.949 0.000 5.441) 6.189 9.017 ( 0.517 0.000 8.380) 8.396 9.242 ( -3.518 0.000 6.941) 7.781 9.683 ( -8.019 0.000 5.391) 9.663 9.764 ( -0.474 0.000 -0.857) 0.979 9.808 ( 0.271 0.000 0.127) 0.299 10.031 ( -2.755 0.000 -5.852) 6.468 12.970 ( 2.283 0.000 0.322) 2.306 13.091 ( 3.469 0.000 1.416) 3.746 13.106 ( 2.768 0.000 -7.455) 7.952 13.155 ( 3.020 0.000 -5.635) 6.393 14.101 ( 0.523 0.000 3.618) 3.656 14.579 ( -2.186 0.000 -1.041) 2.422 14.763 ( -7.832 0.000 -3.540) 8.595 15.503 ( -4.839 0.000 -13.782) 14.607 16.541 ( -4.724 0.000 10.175) 11.218 16.633 ( -4.142 0.000 11.818) 12.523 17.798 ( 1.354 0.000 -2.147) 2.539 17.977 ( -0.266 0.000 1.407) 1.432 19.584 ( -10.632 0.000 32.674) 34.361 20.021 ( -2.131 0.000 46.552) 46.601 21.329 ( 0.575 0.000 0.833) 1.013 22.139 ( 14.208 0.000 -0.406) 14.214 ======================= Grid point 96 (49/138) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -28.544 0.000 -0.807) 28.555 1.331 ( -14.925 0.000 12.614) 19.542 1.956 ( -6.495 0.000 7.003) 9.552 2.120 ( 2.171 0.000 -5.728) 6.125 2.209 ( -11.225 0.000 4.276) 12.012 2.373 ( -14.040 0.000 7.733) 16.029 2.399 ( -0.981 0.000 -2.610) 2.788 2.724 ( -11.813 0.000 -4.470) 12.630 2.740 ( -2.358 0.000 -0.340) 2.383 3.146 ( 1.142 0.000 -0.432) 1.221 3.222 ( 3.643 0.000 1.092) 3.804 3.318 ( -5.249 0.000 -1.179) 5.379 3.621 ( 2.180 0.000 -3.291) 3.948 3.870 ( -3.975 0.000 4.194) 5.779 3.960 ( 8.103 0.000 -10.355) 13.149 3.973 ( 9.933 0.000 -8.924) 13.353 4.169 ( -3.650 0.000 10.549) 11.163 4.226 ( -2.661 0.000 0.241) 2.672 4.332 ( 3.500 0.000 -6.605) 7.475 4.483 ( 2.098 0.000 -5.749) 6.119 4.794 ( 2.227 0.000 2.453) 3.313 4.868 ( -3.318 0.000 1.242) 3.543 5.042 ( -6.573 0.000 5.479) 8.557 5.047 ( -1.427 0.000 1.349) 1.964 5.229 ( -1.222 0.000 1.844) 2.212 5.327 ( -1.956 0.000 5.285) 5.635 5.405 ( 3.936 0.000 17.537) 17.974 5.481 ( -2.219 0.000 4.610) 5.116 5.668 ( 9.506 0.000 -2.386) 9.801 5.912 ( -1.123 0.000 3.062) 3.262 5.995 ( 4.069 0.000 -3.522) 5.382 6.096 ( 3.567 0.000 7.088) 7.935 6.194 ( -0.319 0.000 -0.646) 0.720 6.216 ( -3.660 0.000 2.466) 4.413 6.325 ( -0.469 0.000 -3.713) 3.743 6.436 ( -2.636 0.000 -0.586) 2.701 6.504 ( -1.281 0.000 -5.194) 5.350 6.684 ( 3.081 0.000 -2.697) 4.094 6.831 ( -3.107 0.000 3.420) 4.621 6.988 ( 6.874 0.000 9.144) 11.439 7.207 ( 4.979 0.000 -9.211) 10.471 7.233 ( -0.468 0.000 4.991) 5.013 7.298 ( -3.469 0.000 3.736) 5.099 7.475 ( 1.001 0.000 2.081) 2.310 7.587 ( 5.392 0.000 1.632) 5.633 7.631 ( 6.372 0.000 -12.237) 13.797 8.295 ( -4.780 0.000 3.500) 5.925 8.727 ( 1.618 0.000 9.270) 9.410 8.737 ( 14.553 0.000 6.201) 15.819 8.859 ( -3.816 0.000 4.055) 5.568 9.091 ( 0.264 0.000 8.810) 8.814 9.238 ( -2.949 0.000 4.521) 5.398 9.609 ( -4.054 0.000 5.528) 6.855 9.747 ( -0.570 0.000 0.142) 0.588 9.859 ( 4.260 0.000 0.645) 4.309 9.885 ( -7.691 0.000 -6.430) 10.025 13.006 ( 1.560 0.000 -0.256) 1.581 13.095 ( 2.689 0.000 -7.733) 8.188 13.171 ( 3.311 0.000 -4.080) 5.254 13.194 ( 7.509 0.000 0.790) 7.551 14.142 ( -0.051 0.000 5.009) 5.009 14.521 ( -3.760 0.000 -0.378) 3.779 14.551 ( -12.301 0.000 -4.404) 13.066 15.235 ( -11.026 0.000 -19.941) 22.786 16.511 ( -7.717 0.000 10.267) 12.844 16.629 ( -6.496 0.000 10.956) 12.738 17.789 ( -0.405 0.000 -2.000) 2.040 17.970 ( -2.049 0.000 1.947) 2.827 19.653 ( -11.686 0.000 33.714) 35.682 20.489 ( 10.962 0.000 54.457) 55.549 21.361 ( 2.298 0.000 0.473) 2.346 22.433 ( 19.462 0.000 -3.204) 19.724 ======================= Grid point 97 (50/138) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -18.589 0.000 14.744) 23.726 1.164 ( -17.385 0.000 18.719) 25.547 1.871 ( -20.403 0.000 21.574) 29.694 2.064 ( -7.927 0.000 5.972) 9.925 2.103 ( 3.320 0.000 -13.104) 13.518 2.182 ( -11.300 0.000 7.331) 13.470 2.328 ( -2.883 0.000 -1.580) 3.288 2.578 ( -1.901 0.000 1.800) 2.618 2.914 ( 12.196 0.000 10.005) 15.775 3.094 ( -2.352 0.000 -3.452) 4.177 3.213 ( -2.677 0.000 -2.097) 3.401 3.408 ( 11.557 0.000 2.032) 11.734 3.571 ( -1.196 0.000 -4.231) 4.396 3.794 ( -6.159 0.000 1.724) 6.396 4.035 ( 3.286 0.000 -2.796) 4.314 4.071 ( 10.244 0.000 -12.444) 16.118 4.111 ( -7.710 0.000 6.373) 10.003 4.243 ( -0.510 0.000 4.175) 4.206 4.357 ( 3.995 0.000 -4.063) 5.698 4.489 ( 5.800 0.000 -7.526) 9.502 4.805 ( -1.135 0.000 -1.827) 2.151 4.835 ( -1.404 0.000 1.244) 1.876 4.976 ( -3.205 0.000 3.563) 4.792 5.015 ( -2.060 0.000 0.355) 2.091 5.186 ( -4.179 0.000 0.670) 4.233 5.321 ( -2.825 0.000 3.512) 4.508 5.456 ( -3.593 0.000 2.860) 4.592 5.595 ( 4.848 0.000 7.810) 9.192 5.893 ( -1.784 0.000 -0.393) 1.827 5.936 ( 11.706 0.000 4.775) 12.642 5.971 ( -1.730 0.000 2.383) 2.945 6.180 ( -0.315 0.000 3.627) 3.640 6.206 ( 1.911 0.000 -0.446) 1.963 6.244 ( -0.319 0.000 -9.495) 9.500 6.283 ( 6.379 0.000 6.517) 9.120 6.468 ( 2.917 0.000 7.475) 8.023 6.485 ( 1.810 0.000 2.363) 2.976 6.757 ( 5.378 0.000 2.808) 6.066 6.792 ( -3.581 0.000 1.522) 3.892 7.166 ( 4.209 0.000 8.953) 9.893 7.204 ( 1.931 0.000 -5.608) 5.931 7.259 ( 2.166 0.000 -2.708) 3.468 7.290 ( -0.376 0.000 4.587) 4.602 7.514 ( -0.548 0.000 4.621) 4.653 7.673 ( 9.023 0.000 -10.294) 13.689 7.735 ( 9.012 0.000 1.489) 9.134 8.179 ( -9.660 0.000 2.065) 9.878 8.785 ( -5.406 0.000 7.220) 9.019 8.867 ( 2.628 0.000 5.363) 5.973 8.930 ( 3.089 0.000 -0.694) 3.166 9.151 ( -7.465 0.000 -2.528) 7.881 9.175 ( 0.122 0.000 1.519) 1.524 9.570 ( -5.515 0.000 3.274) 6.413 9.753 ( 0.452 0.000 1.547) 1.611 9.821 ( 4.083 0.000 10.518) 11.283 9.948 ( 4.256 0.000 1.990) 4.698 13.020 ( 0.958 0.000 -1.826) 2.062 13.078 ( 2.586 0.000 -8.077) 8.481 13.213 ( 3.978 0.000 -1.086) 4.124 13.357 ( 10.251 0.000 -1.127) 10.312 14.168 ( -1.907 0.000 4.232) 4.642 14.290 ( -13.110 0.000 -0.974) 13.146 14.450 ( -4.327 0.000 1.559) 4.600 14.798 ( -18.441 0.000 -22.155) 28.826 16.442 ( -9.240 0.000 10.701) 14.138 16.582 ( -8.279 0.000 10.674) 13.508 17.756 ( -1.206 0.000 -2.351) 2.643 17.939 ( -3.087 0.000 1.989) 3.672 19.697 ( -14.152 0.000 34.300) 37.105 21.265 ( 28.465 0.000 46.735) 54.721 21.409 ( 2.753 0.000 0.071) 2.754 22.723 ( 17.718 0.000 -9.393) 20.054 ======================= Grid point 98 (51/138) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -1.493 0.000 26.792) 26.833 1.063 ( -12.611 0.000 25.158) 28.142 1.615 ( -25.269 0.000 33.603) 42.044 2.021 ( 4.052 0.000 -22.097) 22.465 2.032 ( -5.038 0.000 9.572) 10.817 2.134 ( -0.889 0.000 5.847) 5.915 2.277 ( -6.609 0.000 6.994) 9.623 2.626 ( 0.349 0.000 6.457) 6.467 2.911 ( -11.271 0.000 -12.576) 16.888 3.111 ( 6.675 0.000 0.763) 6.718 3.367 ( 13.251 0.000 11.332) 17.436 3.596 ( 1.411 0.000 9.255) 9.362 3.649 ( 11.880 0.000 1.845) 12.022 3.732 ( 0.522 0.000 0.929) 1.066 4.021 ( -0.195 0.000 -5.076) 5.080 4.028 ( -5.609 0.000 3.511) 6.617 4.123 ( 4.365 0.000 -10.104) 11.007 4.230 ( -2.538 0.000 -0.721) 2.639 4.397 ( 3.687 0.000 -3.497) 5.082 4.566 ( 7.438 0.000 -4.498) 8.692 4.737 ( -3.378 0.000 -3.786) 5.074 4.839 ( 0.742 0.000 1.021) 1.262 5.001 ( 0.608 0.000 -0.278) 0.668 5.017 ( 4.688 0.000 1.515) 4.926 5.115 ( -4.800 0.000 3.009) 5.665 5.283 ( -4.115 0.000 2.240) 4.685 5.410 ( -3.512 0.000 1.879) 3.983 5.700 ( -16.363 0.000 -2.302) 16.524 5.728 ( 2.610 0.000 3.493) 4.361 5.854 ( -1.622 0.000 -1.014) 1.913 6.100 ( 3.380 0.000 -10.359) 10.897 6.202 ( 2.151 0.000 -4.050) 4.585 6.208 ( 0.979 0.000 1.737) 1.994 6.308 ( 4.682 0.000 -1.304) 4.860 6.416 ( 3.678 0.000 3.148) 4.842 6.593 ( -0.519 0.000 10.485) 10.498 6.654 ( 10.511 0.000 3.939) 11.225 6.742 ( -2.868 0.000 3.319) 4.386 6.888 ( 2.451 0.000 3.697) 4.435 7.198 ( 3.595 0.000 -7.785) 8.575 7.268 ( 1.898 0.000 -3.438) 3.927 7.286 ( 0.516 0.000 9.903) 9.916 7.436 ( 13.975 0.000 8.523) 16.369 7.526 ( -0.277 0.000 1.553) 1.577 7.782 ( 9.788 0.000 -4.914) 10.952 7.869 ( 4.642 0.000 -0.738) 4.700 8.025 ( -10.553 0.000 5.700) 11.994 8.724 ( -5.458 0.000 3.283) 6.369 8.732 ( -22.018 0.000 -8.800) 23.712 8.946 ( 0.332 0.000 5.590) 5.600 8.952 ( 0.027 0.000 -2.270) 2.270 9.192 ( -1.497 0.000 0.338) 1.535 9.620 ( 0.420 0.000 13.215) 13.222 9.781 ( 0.677 0.000 2.644) 2.729 10.028 ( 2.264 0.000 3.100) 3.839 10.041 ( 7.174 0.000 10.297) 12.550 13.014 ( 0.578 0.000 -2.822) 2.881 13.065 ( 3.465 0.000 -8.069) 8.782 13.279 ( 2.382 0.000 0.117) 2.385 13.461 ( 2.858 0.000 -8.832) 9.283 14.099 ( -2.698 0.000 4.650) 5.376 14.201 ( -3.435 0.000 6.882) 7.692 14.385 ( -5.288 0.000 -5.916) 7.935 14.427 ( -2.504 0.000 3.469) 4.278 16.362 ( -9.332 0.000 10.996) 14.422 16.520 ( -8.378 0.000 11.261) 14.036 17.715 ( -0.928 0.000 -3.157) 3.291 17.896 ( -3.268 0.000 1.356) 3.538 19.691 ( -17.155 0.000 33.841) 37.941 21.451 ( 1.867 0.000 -0.176) 1.876 21.863 ( 2.433 0.000 2.103) 3.216 22.866 ( 9.220 0.000 -16.001) 18.467 ======================= Grid point 99 (52/138) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.498 9.207 22.900) 25.287 1.257 ( 0.312 9.787 20.761) 22.955 1.655 ( 2.610 -13.501 4.128) 14.357 1.789 ( -3.216 -14.618 14.134) 20.586 2.068 ( -3.979 19.541 21.115) 29.043 2.288 ( -4.349 9.084 4.521) 11.039 2.486 ( -9.660 6.626 -5.718) 13.034 2.642 ( -0.707 13.512 -6.341) 14.943 2.753 ( -0.974 7.209 5.071) 8.868 3.218 ( 8.654 -6.333 5.834) 12.208 3.448 ( -4.116 -13.627 5.009) 15.091 3.545 ( 5.086 -14.227 -0.860) 15.134 3.648 ( 3.412 -4.276 7.371) 9.179 3.824 ( 6.799 -5.664 8.430) 12.222 3.957 ( -1.315 1.742 0.277) 2.200 4.037 ( -1.792 1.071 -8.307) 8.565 4.085 ( -2.470 0.322 -0.195) 2.499 4.133 ( 0.933 -3.523 -3.786) 5.255 4.466 ( 5.338 2.139 -0.960) 5.830 4.583 ( 7.704 -1.881 -6.227) 10.083 4.695 ( -1.658 1.205 -1.585) 2.591 4.911 ( 3.029 0.265 -6.087) 6.804 4.990 ( 0.720 -1.769 -2.961) 3.524 5.036 ( -2.282 -0.869 2.527) 3.514 5.135 ( -3.362 2.345 6.342) 7.551 5.215 ( -6.172 0.621 1.073) 6.295 5.288 ( -2.763 -4.199 2.269) 5.515 5.306 ( -10.699 -4.505 6.846) 13.477 5.829 ( 1.342 2.564 2.087) 3.568 5.951 ( 1.343 5.928 -1.301) 6.216 6.026 ( 3.070 -4.747 -6.756) 8.809 6.183 ( 2.996 -0.602 -3.365) 4.546 6.240 ( -1.003 -4.158 -1.282) 4.465 6.272 ( 4.166 0.051 -2.546) 4.883 6.503 ( -0.887 1.239 4.079) 4.355 6.546 ( -6.254 -0.186 2.865) 6.882 6.591 ( -3.580 -8.220 6.792) 11.248 6.715 ( -3.516 -4.885 0.319) 6.027 7.024 ( 4.110 9.718 3.792) 11.212 7.214 ( 5.954 -0.090 -6.145) 8.557 7.280 ( -1.385 -0.593 -0.694) 1.659 7.288 ( 0.730 -0.970 -4.009) 4.189 7.482 ( -3.726 1.658 4.161) 5.826 7.603 ( -0.546 -2.078 6.133) 6.499 7.878 ( 1.081 -1.486 2.932) 3.460 7.895 ( 1.327 -1.543 4.244) 4.707 8.253 ( -1.243 16.339 -7.360) 17.963 8.466 ( -4.361 0.833 0.802) 4.512 8.701 ( -3.954 4.561 2.119) 6.398 8.930 ( 1.572 -3.114 2.679) 4.398 9.008 ( 2.225 -0.433 1.685) 2.824 9.116 ( -6.033 -1.400 -1.720) 6.428 9.639 ( -2.897 -1.903 10.096) 10.674 9.761 ( -2.518 -4.762 3.431) 6.387 10.113 ( -1.082 3.485 3.353) 4.956 10.187 ( -1.025 1.041 4.269) 4.513 13.023 ( 1.780 1.774 -5.432) 5.985 13.072 ( 4.476 -0.515 -7.651) 8.880 13.284 ( -2.561 1.818 -6.697) 7.397 13.322 ( -6.266 0.366 -10.908) 12.585 14.208 ( -2.540 2.212 5.987) 6.870 14.274 ( 7.570 1.258 6.731) 10.207 14.472 ( 6.131 0.548 6.097) 8.664 14.579 ( 23.510 -2.370 1.931) 23.707 16.318 ( -7.408 1.816 11.283) 13.620 16.437 ( -7.770 -2.928 11.963) 14.562 17.720 ( -0.059 3.383 -3.555) 4.907 17.835 ( -1.833 -1.643 -0.250) 2.475 19.726 ( -20.899 9.722 33.799) 40.910 20.600 ( -32.004 -34.124 27.401) 54.218 22.082 ( -13.213 27.389 -21.367) 37.166 22.720 ( -2.441 -6.943 -20.733) 22.000 ======================= Grid point 100 (53/138) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 7.133 9.395 21.375) 24.413 1.434 ( 3.110 10.811 18.665) 21.793 1.763 ( 5.189 -7.211 6.553) 11.039 1.931 ( 5.851 -16.240 13.735) 22.060 2.062 ( -2.147 9.878 1.990) 10.303 2.223 ( -5.815 -0.739 -6.451) 8.716 2.451 ( 1.217 10.268 23.231) 25.428 2.689 ( 5.699 15.110 -2.228) 16.302 2.842 ( 4.436 6.344 8.233) 11.301 3.331 ( -0.880 -5.848 2.250) 6.327 3.453 ( -1.852 -2.411 4.033) 5.051 3.585 ( 4.517 -9.728 -5.123) 11.887 3.697 ( 0.211 -5.854 2.582) 6.402 3.839 ( -8.173 0.581 -1.587) 8.346 3.909 ( -2.272 -7.033 6.711) 9.982 3.963 ( -2.554 -3.523 -6.824) 8.093 4.082 ( 4.600 0.865 -3.271) 5.710 4.150 ( -0.209 -1.524 2.048) 2.561 4.573 ( 4.780 2.706 -0.174) 5.495 4.636 ( 2.256 3.218 -2.977) 4.931 4.709 ( 4.447 -2.858 -2.209) 5.729 4.868 ( -2.800 -3.901 -5.412) 7.236 4.949 ( -0.838 3.032 0.475) 3.182 5.024 ( -2.720 -1.294 2.636) 4.003 5.084 ( -5.885 1.729 3.601) 7.112 5.159 ( 0.254 1.772 1.895) 2.607 5.243 ( -4.202 -0.826 4.931) 6.531 5.278 ( -1.033 -2.582 1.150) 3.009 5.878 ( 1.736 1.418 2.639) 3.463 5.934 ( -0.993 1.577 -4.229) 4.622 6.035 ( 3.318 -3.514 -5.667) 7.448 6.162 ( -3.898 -7.027 -2.202) 8.332 6.252 ( 4.242 0.624 -0.004) 4.288 6.332 ( 3.437 0.100 -1.913) 3.935 6.438 ( -6.068 0.324 1.586) 6.280 6.480 ( -3.015 -2.129 2.632) 4.533 6.567 ( -2.711 -1.106 3.096) 4.261 6.709 ( 0.222 -5.070 3.577) 6.209 7.033 ( -5.480 8.394 2.556) 10.345 7.146 ( -8.157 -1.349 -4.939) 9.631 7.245 ( 5.673 2.811 -10.284) 12.077 7.315 ( 0.200 -0.357 2.029) 2.070 7.436 ( -5.085 2.353 4.870) 7.424 7.595 ( -2.076 -1.591 0.616) 2.687 7.910 ( 0.084 0.405 4.128) 4.149 7.983 ( -1.428 0.344 12.091) 12.180 8.124 ( -5.345 11.998 -8.327) 15.551 8.423 ( -3.888 -1.329 2.121) 4.624 8.693 ( -0.547 5.994 3.785) 7.110 8.888 ( -5.789 -0.631 0.565) 5.851 8.944 ( -7.786 0.588 -4.154) 8.844 9.171 ( 9.536 -5.810 2.222) 11.386 9.658 ( -2.716 -2.097 8.456) 9.126 9.745 ( -2.750 -5.863 5.373) 8.414 10.092 ( -4.065 2.512 3.617) 5.993 10.167 ( -4.045 0.255 4.427) 6.002 13.004 ( 0.089 1.797 -3.613) 4.036 13.078 ( 0.687 -1.585 -7.095) 7.302 13.150 ( -1.203 2.007 -8.615) 8.927 13.207 ( 0.158 -0.622 -7.535) 7.562 14.195 ( -3.239 3.670 4.154) 6.420 14.420 ( 2.991 -6.046 5.614) 8.776 14.701 ( 12.807 8.324 4.988) 16.069 15.048 ( 26.370 -6.327 -3.052) 27.289 16.310 ( -3.459 1.429 11.431) 12.028 16.408 ( -6.153 -2.499 12.015) 13.728 17.702 ( 1.500 3.202 -3.974) 5.319 17.816 ( 0.336 -1.615 -0.762) 1.817 19.615 ( -20.681 7.163 32.136) 38.881 20.177 ( -37.410 -18.087 29.607) 51.022 21.753 ( -9.410 22.460 -9.129) 26.007 22.447 ( -9.701 -8.983 -17.872) 22.231 ======================= Grid point 101 (54/138) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 7.144 6.191 17.619) 19.995 1.728 ( 13.686 10.944 17.605) 24.840 1.934 ( 6.177 -3.222 9.025) 11.401 2.117 ( 5.883 8.396 -0.140) 10.253 2.135 ( 6.434 -9.399 7.346) 13.554 2.220 ( 6.765 -2.663 5.907) 9.367 2.602 ( -1.657 1.556 11.916) 12.130 2.746 ( 1.592 6.138 -2.259) 6.731 2.996 ( 5.065 4.219 4.802) 8.156 3.291 ( -1.888 10.764 -0.532) 10.941 3.396 ( -0.780 -4.914 -3.428) 6.042 3.606 ( -2.560 -7.375 -0.962) 7.866 3.657 ( -8.729 -3.794 -1.346) 9.612 3.803 ( 0.091 -7.624 0.628) 7.651 3.847 ( 3.338 0.467 3.379) 4.772 3.929 ( -1.673 -2.132 -0.241) 2.721 4.115 ( 3.565 -1.209 -6.741) 7.721 4.197 ( 2.187 -4.582 6.603) 8.329 4.563 ( -1.876 2.902 -6.303) 7.188 4.645 ( -0.002 1.842 -2.631) 3.212 4.740 ( 2.712 -0.144 -8.018) 8.465 4.785 ( -2.519 -0.289 -1.705) 3.055 4.951 ( -2.268 -0.885 1.830) 3.045 4.967 ( -1.449 -0.014 0.051) 1.450 5.067 ( -3.356 2.140 8.451) 9.341 5.194 ( -3.816 -2.229 7.569) 8.765 5.219 ( 0.531 2.390 2.890) 3.788 5.271 ( -0.162 -1.221 1.736) 2.128 5.852 ( -2.755 -0.720 -7.248) 7.787 5.913 ( 0.164 0.483 -0.144) 0.530 5.992 ( -3.314 -4.370 -7.429) 9.234 6.120 ( -0.097 -3.739 3.715) 5.271 6.298 ( -1.084 0.090 -4.003) 4.148 6.342 ( 1.607 -0.698 -1.691) 2.435 6.386 ( -0.695 -0.351 4.602) 4.667 6.511 ( 0.571 -2.143 3.076) 3.792 6.547 ( -0.263 1.578 3.182) 3.561 6.743 ( 0.066 -5.008 2.394) 5.551 6.912 ( -7.785 1.459 1.019) 7.986 7.000 ( -4.344 3.330 -0.789) 5.530 7.255 ( 2.320 4.406 -4.816) 6.928 7.311 ( -4.202 -0.516 6.392) 7.667 7.390 ( -3.136 3.696 1.712) 5.141 7.569 ( 2.468 -1.152 -7.314) 7.804 7.904 ( -10.269 7.779 -1.885) 13.020 7.926 ( -3.378 5.585 2.206) 6.890 8.030 ( -4.320 -2.718 5.183) 7.274 8.340 ( -9.566 -4.910 6.266) 12.445 8.682 ( -2.161 0.292 2.574) 3.373 8.744 ( -5.709 -1.952 -0.237) 6.038 8.931 ( 3.384 9.463 1.912) 10.230 9.303 ( 2.469 -3.876 3.301) 5.659 9.684 ( -1.332 -2.105 7.185) 7.604 9.748 ( -1.655 -5.866 4.290) 7.453 10.036 ( -5.239 2.539 3.382) 6.733 10.132 ( -3.344 -0.563 3.325) 4.750 12.966 ( -1.157 1.103 -3.639) 3.975 13.007 ( -1.193 -0.336 -2.141) 2.473 13.134 ( 3.738 0.371 -7.866) 8.717 13.167 ( 1.853 -0.941 -7.772) 8.045 14.164 ( -2.929 4.802 2.329) 6.088 14.480 ( 0.263 -9.608 2.958) 10.057 14.934 ( 9.388 12.270 2.510) 15.652 15.399 ( 16.881 -7.857 -5.514) 19.419 16.374 ( -0.083 0.565 11.356) 11.370 16.417 ( -3.336 -1.207 12.175) 12.681 17.714 ( 3.303 3.093 -3.668) 5.825 17.836 ( 2.533 -1.882 -0.695) 3.231 19.528 ( -17.419 4.822 31.726) 36.513 19.844 ( -27.332 -8.034 31.596) 42.543 21.576 ( -6.072 14.212 -3.159) 15.774 22.144 ( -10.164 -8.911 -12.066) 18.119 ======================= Grid point 102 (55/138) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 3.563 5.419 12.023) 13.660 2.070 ( 1.995 3.705 7.625) 8.708 2.090 ( 10.371 6.824 12.034) 17.290 2.200 ( 3.633 3.501 1.678) 5.317 2.332 ( 3.468 -4.741 7.964) 9.896 2.411 ( 7.030 0.859 6.135) 9.370 2.574 ( -1.168 -0.654 -1.055) 1.704 2.706 ( -3.191 0.871 -1.749) 3.742 3.043 ( 1.388 4.771 -3.077) 5.845 3.323 ( 3.389 3.327 -4.665) 6.657 3.403 ( -0.135 3.774 0.954) 3.895 3.482 ( -8.370 -12.877 -3.358) 15.721 3.548 ( -1.689 -5.399 8.099) 9.879 3.704 ( -5.033 -3.579 -3.595) 7.145 3.937 ( 4.591 0.707 -0.667) 4.692 4.021 ( 5.378 -3.622 -0.775) 6.530 4.123 ( 4.078 0.746 -8.304) 9.282 4.242 ( -2.353 -3.793 -0.404) 4.482 4.493 ( -0.608 3.484 0.675) 3.601 4.596 ( -0.712 1.091 -6.317) 6.450 4.662 ( -2.233 4.390 -8.291) 9.644 4.778 ( 2.747 -0.687 -1.840) 3.377 4.930 ( -1.573 -1.503 3.027) 3.728 4.950 ( -1.858 -1.991 1.830) 3.281 5.087 ( -3.576 1.646 13.198) 13.773 5.150 ( -6.509 -1.072 8.851) 11.039 5.289 ( 1.772 0.736 5.373) 5.706 5.312 ( 0.894 -0.711 6.144) 6.249 5.732 ( -2.550 -0.869 -9.642) 10.011 5.850 ( -0.589 -6.208 -12.356) 13.840 5.908 ( -3.123 4.131 2.171) 5.615 6.144 ( -2.399 -1.686 4.207) 5.129 6.236 ( -0.901 -0.366 -2.330) 2.524 6.318 ( -1.893 -2.096 -1.767) 3.332 6.452 ( 0.370 2.663 4.147) 4.943 6.501 ( 0.979 -1.040 -0.230) 1.447 6.621 ( 1.936 -3.632 3.912) 5.678 6.722 ( -2.025 -4.728 -2.370) 5.663 6.857 ( -2.219 3.050 5.291) 6.497 6.960 ( -2.208 2.726 3.423) 4.901 7.252 ( -1.533 3.839 1.880) 4.541 7.284 ( -5.356 -0.117 8.514) 10.059 7.349 ( -0.964 4.082 -2.551) 4.909 7.560 ( 5.373 -1.589 -14.485) 15.531 7.703 ( -9.208 1.812 -1.837) 9.562 7.765 ( -11.099 0.248 -4.379) 11.935 8.049 ( -1.075 3.456 10.873) 11.459 8.238 ( -6.092 -1.957 6.541) 9.150 8.683 ( -2.371 -0.651 2.356) 3.406 8.726 ( 1.989 -3.478 5.741) 7.001 9.008 ( 2.124 10.487 3.522) 11.264 9.317 ( -3.826 -1.407 4.975) 6.432 9.708 ( -2.617 -3.461 5.741) 7.197 9.749 ( -0.853 -5.470 1.834) 5.832 9.969 ( -5.166 3.762 3.136) 7.118 10.099 ( -2.395 -1.327 0.933) 2.893 12.935 ( 0.625 1.336 -2.279) 2.715 12.999 ( 0.258 -1.077 0.899) 1.427 13.131 ( 2.887 0.010 -7.754) 8.274 13.147 ( 2.559 -0.706 -7.067) 7.549 14.136 ( -1.782 5.350 1.408) 5.812 14.486 ( -0.958 -10.541 0.966) 10.628 15.056 ( 3.453 13.314 -0.371) 13.760 15.556 ( 6.797 -8.248 -6.688) 12.608 16.457 ( -0.551 0.600 10.753) 10.784 16.492 ( -0.101 -0.711 12.613) 12.633 17.757 ( 4.238 3.004 -2.850) 5.925 17.886 ( 3.184 -2.109 -0.299) 3.831 19.510 ( -13.454 3.334 32.061) 34.929 19.709 ( -17.736 -4.557 33.691) 38.346 21.476 ( -3.729 10.086 -0.490) 10.764 21.933 ( -4.911 -7.972 -6.011) 11.127 ======================= Grid point 103 (56/138) ======================= q-point: (-0.56 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -8.650 8.241 2.523) 12.211 2.069 ( -6.206 6.393 4.250) 9.871 2.151 ( -6.684 4.251 -1.910) 8.149 2.235 ( -9.082 -1.775 8.738) 12.727 2.390 ( 3.970 -7.626 -0.761) 8.631 2.498 ( -2.949 1.491 4.547) 5.621 2.548 ( -1.959 4.369 -1.612) 5.052 2.803 ( 10.086 1.969 5.166) 11.502 3.065 ( 2.847 -5.302 1.489) 6.199 3.219 ( -5.142 4.686 -10.857) 12.895 3.327 ( -4.828 -5.250 -5.806) 9.197 3.401 ( -2.465 3.268 4.762) 6.279 3.586 ( -1.834 -0.529 -2.236) 2.940 3.693 ( 4.692 -6.035 4.116) 8.682 3.992 ( -5.929 -2.444 -4.499) 7.834 4.024 ( 6.251 -0.962 -13.429) 14.844 4.102 ( 1.994 -1.588 0.014) 2.549 4.139 ( -2.763 -6.444 -5.801) 9.100 4.488 ( -2.753 1.757 -9.488) 10.035 4.514 ( -1.885 4.892 2.378) 5.757 4.656 ( 5.549 7.411 0.870) 9.299 4.886 ( 7.350 -3.251 3.438) 8.742 4.936 ( -1.664 -2.669 3.492) 4.700 4.952 ( 0.953 -0.655 4.245) 4.399 5.123 ( -3.572 -0.696 10.655) 11.259 5.152 ( -3.418 -0.996 14.499) 14.929 5.350 ( -1.351 2.314 8.418) 8.834 5.388 ( 1.938 0.284 6.780) 7.057 5.634 ( 1.051 -0.209 -10.983) 11.035 5.772 ( 3.009 -6.437 -10.994) 13.090 5.895 ( -0.371 4.756 2.756) 5.509 6.098 ( -4.927 -1.120 2.820) 5.787 6.231 ( 0.341 -2.712 -0.453) 2.771 6.262 ( -3.302 -2.532 -0.617) 4.206 6.436 ( -3.529 3.714 1.464) 5.328 6.532 ( 1.760 -3.435 -2.323) 4.505 6.635 ( -3.582 -2.133 1.332) 4.377 6.678 ( 0.931 -3.507 -3.675) 5.164 6.857 ( -3.125 3.564 4.599) 6.605 6.947 ( -3.082 2.929 4.234) 6.001 7.225 ( -6.100 1.651 6.181) 8.840 7.248 ( -1.003 3.684 0.348) 3.834 7.345 ( 1.223 1.339 1.232) 2.192 7.480 ( -2.391 -2.989 -7.437) 8.364 7.579 ( -4.726 1.212 -1.716) 5.172 7.635 ( 4.319 0.462 -9.472) 10.421 8.148 ( 2.141 2.767 10.982) 11.526 8.245 ( 0.953 -1.218 7.106) 7.273 8.683 ( -0.667 1.650 3.730) 4.133 8.807 ( 0.755 -3.811 7.220) 8.199 9.057 ( 0.033 8.906 4.387) 9.927 9.280 ( -4.648 0.424 6.091) 7.674 9.683 ( -3.863 -4.077 3.710) 6.731 9.739 ( -1.635 -5.619 0.606) 5.883 9.903 ( -4.868 4.537 2.326) 7.049 10.059 ( -2.078 -2.477 -1.519) 3.572 12.950 ( 2.167 1.643 -0.560) 2.777 13.025 ( 1.515 -1.254 1.695) 2.596 13.119 ( 2.683 0.146 -7.407) 7.879 13.141 ( 2.826 -0.795 -6.506) 7.137 14.129 ( -0.435 5.213 1.818) 5.538 14.470 ( -1.324 -10.141 0.201) 10.229 15.052 ( -2.206 12.957 -3.208) 13.529 15.548 ( -0.349 -8.385 -8.762) 12.132 16.526 ( -1.718 1.052 10.736) 10.924 16.578 ( -1.725 -0.989 12.165) 12.326 17.806 ( 3.262 2.929 -2.092) 4.858 17.933 ( 2.031 -2.124 0.265) 2.951 19.552 ( -11.133 3.164 32.613) 34.606 19.744 ( -10.642 -4.541 37.716) 39.451 21.442 ( -0.082 10.082 0.863) 10.119 21.895 ( 4.176 -7.860 -1.411) 9.012 ======================= Grid point 104 (57/138) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -14.225 9.132 2.145) 17.039 1.853 ( -21.275 7.354 0.819) 22.525 2.025 ( -6.351 -5.173 -3.212) 8.798 2.080 ( -10.668 -2.770 3.017) 11.427 2.321 ( -6.182 -5.170 3.608) 8.829 2.449 ( -5.957 2.076 -0.061) 6.309 2.551 ( 1.766 4.760 1.090) 5.193 2.922 ( -3.017 -1.988 0.260) 3.622 3.007 ( -4.398 4.456 -5.856) 8.573 3.137 ( -7.386 4.133 -6.031) 10.393 3.224 ( 5.265 1.179 4.608) 7.095 3.450 ( -1.542 -4.709 -0.409) 4.972 3.503 ( -3.852 3.731 -0.359) 5.374 3.765 ( 0.719 -6.888 0.976) 6.994 3.858 ( 2.145 -2.336 -8.211) 8.802 3.993 ( 4.192 0.735 -10.364) 11.203 4.086 ( 0.350 -4.448 -1.102) 4.596 4.175 ( 0.419 -7.831 1.892) 8.067 4.387 ( 0.396 2.819 -7.500) 8.022 4.510 ( -0.485 2.358 1.113) 2.653 4.775 ( 5.056 6.479 1.266) 8.316 4.913 ( -3.126 -1.845 2.839) 4.608 4.981 ( 1.107 -1.886 3.384) 4.029 5.046 ( 0.384 -1.110 7.539) 7.630 5.179 ( 1.382 -1.643 6.205) 6.566 5.209 ( -1.701 -2.765 12.547) 12.960 5.374 ( -3.121 4.135 8.272) 9.760 5.476 ( 0.677 1.002 7.918) 8.010 5.609 ( 6.155 1.369 -10.070) 11.881 5.790 ( 5.340 -5.936 -4.237) 9.039 5.936 ( 2.032 1.430 2.978) 3.878 6.040 ( -3.480 -1.299 3.003) 4.776 6.194 ( -3.181 -2.565 -1.259) 4.276 6.219 ( -1.555 -5.812 -0.469) 6.034 6.362 ( -5.422 2.844 0.574) 6.150 6.501 ( -4.086 -3.982 -2.035) 6.058 6.576 ( 0.070 2.033 -3.518) 4.064 6.675 ( 1.588 -1.119 -4.046) 4.488 6.840 ( -0.713 1.850 4.194) 4.640 6.923 ( -3.070 2.891 4.327) 6.041 7.184 ( 0.448 0.895 -1.760) 2.025 7.249 ( -2.507 0.841 6.530) 7.045 7.395 ( 3.162 5.101 0.468) 6.020 7.441 ( 1.473 -1.452 -0.432) 2.113 7.533 ( 0.028 2.366 -1.311) 2.705 7.654 ( 6.506 1.140 -11.633) 13.378 8.279 ( 2.743 1.665 9.206) 9.750 8.392 ( 8.806 -3.214 8.398) 12.586 8.712 ( 0.020 3.769 5.543) 6.703 8.855 ( -1.606 -2.460 6.743) 7.355 9.086 ( -1.109 6.451 5.748) 8.711 9.262 ( -3.005 1.159 6.140) 6.934 9.636 ( -5.094 -3.317 3.721) 7.127 9.705 ( -2.298 -5.848 -0.303) 6.290 9.849 ( -1.712 3.415 0.787) 3.900 9.992 ( -3.465 -3.198 -3.489) 5.866 12.995 ( 2.851 2.162 0.125) 3.580 13.079 ( 3.479 -1.173 0.636) 3.726 13.110 ( 2.935 0.431 -6.640) 7.273 13.144 ( 3.089 -0.938 -5.780) 6.621 14.147 ( 0.074 4.402 3.143) 5.410 14.442 ( -2.244 -8.974 0.253) 9.254 14.932 ( -7.284 12.024 -5.558) 15.117 15.411 ( -5.724 -8.641 -12.429) 16.183 16.554 ( -4.781 1.203 10.492) 11.592 16.618 ( -4.422 -1.346 11.690) 12.571 17.832 ( 1.232 2.981 -1.601) 3.601 17.956 ( 0.002 -2.052 0.896) 2.239 19.629 ( -10.259 4.365 34.036) 35.815 19.924 ( -5.206 -8.110 43.018) 44.085 21.495 ( 5.292 14.299 1.645) 15.335 22.052 ( 13.726 -8.577 0.040) 16.185 ======================= Grid point 105 (58/138) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -21.280 5.330 2.761) 22.110 1.442 ( -21.526 7.489 4.477) 23.227 1.862 ( -10.119 -10.759 1.008) 14.804 1.904 ( -12.012 -11.549 3.088) 16.947 2.318 ( -3.881 4.088 11.681) 12.970 2.410 ( 1.764 10.644 2.804) 11.147 2.574 ( 2.259 7.411 -1.797) 7.953 2.805 ( -3.964 3.406 -2.898) 5.976 2.816 ( -11.978 9.239 -2.817) 15.387 3.089 ( 2.324 -0.017 0.600) 2.400 3.232 ( -11.527 -3.734 -1.347) 12.191 3.343 ( 2.680 1.649 3.362) 4.605 3.523 ( 1.914 -8.078 -7.282) 11.043 3.744 ( -4.569 -10.267 1.148) 11.296 3.892 ( 4.997 -1.495 -4.346) 6.789 4.029 ( 5.666 2.531 -4.453) 7.638 4.105 ( 1.478 -5.071 1.514) 5.495 4.179 ( 0.897 -3.485 -0.707) 3.667 4.374 ( 3.058 2.331 -5.236) 6.497 4.495 ( -0.795 -0.417 -2.344) 2.510 4.821 ( 0.583 2.323 -1.719) 2.948 4.881 ( -2.038 -0.302 1.324) 2.449 4.995 ( -2.270 -0.683 2.298) 3.301 5.053 ( -4.446 -0.474 5.328) 6.956 5.222 ( -0.824 -0.765 3.030) 3.232 5.295 ( 0.879 -4.977 8.328) 9.742 5.385 ( -2.947 3.559 7.475) 8.788 5.537 ( -0.604 0.033 9.764) 9.783 5.687 ( 8.752 2.936 -5.131) 10.562 5.855 ( 3.244 -3.454 -0.647) 4.782 5.990 ( 0.383 -0.469 3.761) 3.810 6.061 ( 2.583 -2.812 5.938) 7.060 6.136 ( -1.390 -4.010 -2.262) 4.809 6.201 ( 0.345 -5.159 0.580) 5.203 6.275 ( -3.531 1.219 -0.565) 3.778 6.414 ( -3.330 -3.999 -1.205) 5.342 6.544 ( -1.129 4.748 -2.984) 5.721 6.676 ( 1.836 -0.618 -2.181) 2.917 6.896 ( -0.267 2.932 2.381) 3.786 6.948 ( 3.999 -0.416 6.112) 7.316 7.202 ( 3.220 0.300 -3.193) 4.545 7.267 ( -0.234 0.750 3.943) 4.020 7.436 ( 0.395 7.393 2.399) 7.782 7.507 ( 5.620 2.872 -1.300) 6.444 7.542 ( 1.563 0.249 -0.790) 1.769 7.689 ( 7.484 2.093 -8.334) 11.395 8.352 ( -0.926 5.857 3.729) 7.005 8.646 ( 10.751 -5.540 5.917) 13.464 8.791 ( 1.984 2.935 8.654) 9.351 8.868 ( -1.010 0.352 6.157) 6.250 9.113 ( -1.351 2.570 6.447) 7.071 9.253 ( -3.423 0.452 3.728) 5.081 9.573 ( -4.755 -3.057 3.958) 6.901 9.642 ( -5.045 -7.517 0.756) 9.084 9.875 ( 3.498 1.361 1.121) 3.917 9.904 ( -2.202 0.666 -2.342) 3.283 13.038 ( 2.520 2.597 -2.037) 4.152 13.095 ( 2.720 -0.040 -7.544) 8.020 13.166 ( 3.945 -0.284 -3.261) 5.126 13.186 ( 7.183 -0.757 0.674) 7.254 14.174 ( -0.593 3.136 4.474) 5.495 14.389 ( -4.428 -6.752 0.715) 8.106 14.718 ( -11.133 10.026 -6.547) 16.350 15.142 ( -11.739 -8.443 -17.281) 22.533 16.525 ( -7.709 1.418 10.527) 13.125 16.608 ( -6.952 -1.904 11.146) 13.273 17.825 ( -0.462 3.140 -1.463) 3.495 17.949 ( -1.761 -1.993 1.338) 2.978 19.719 ( -11.102 6.595 35.614) 37.883 20.237 ( -0.344 -17.698 47.192) 50.403 21.670 ( 13.459 22.523 2.423) 26.350 22.347 ( 19.894 -8.554 -2.736) 21.827 ======================= Grid point 106 (59/138) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -15.338 10.747 13.516) 23.096 1.200 ( -17.415 4.108 15.429) 23.626 1.710 ( -7.264 -17.191 -0.509) 18.670 1.773 ( -7.866 -15.405 11.843) 20.963 2.223 ( -20.528 17.904 18.241) 32.782 2.492 ( 2.999 18.934 -3.806) 19.544 2.560 ( -1.490 12.339 -3.840) 13.008 2.667 ( -0.551 8.339 1.908) 8.572 2.903 ( 10.785 -2.001 7.915) 13.526 3.046 ( -4.926 -3.051 -0.973) 5.875 3.207 ( 4.170 -1.348 3.676) 5.720 3.352 ( 2.230 -4.524 -7.655) 9.167 3.493 ( 0.050 -9.032 0.435) 9.042 3.633 ( -9.910 -14.475 5.103) 18.269 3.923 ( 2.067 -1.027 -2.853) 3.670 4.088 ( 6.736 -0.424 -9.221) 11.427 4.137 ( -0.238 -5.287 2.145) 5.710 4.203 ( -0.043 0.583 2.824) 2.884 4.394 ( 3.740 1.980 -5.408) 6.866 4.473 ( 2.799 -1.277 -5.572) 6.365 4.797 ( -0.302 0.701 -3.883) 3.958 4.857 ( 0.070 -0.976 -2.456) 2.644 4.968 ( -1.574 1.297 2.136) 2.953 5.014 ( -3.584 -0.234 4.711) 5.924 5.195 ( -3.716 0.821 1.304) 4.023 5.339 ( -1.521 -3.233 3.477) 4.986 5.370 ( -4.470 -0.359 5.374) 6.999 5.597 ( -2.730 -6.671 8.327) 11.014 5.810 ( 5.421 -0.846 -2.317) 5.955 5.903 ( 2.053 1.041 1.205) 2.598 6.014 ( 0.897 2.986 5.395) 6.231 6.103 ( 0.159 -4.434 -2.372) 5.031 6.173 ( 2.911 -2.728 0.092) 3.991 6.247 ( 1.469 -2.015 -1.311) 2.818 6.285 ( 6.390 -1.005 9.114) 11.176 6.388 ( 0.267 -5.569 3.838) 6.769 6.526 ( 0.093 4.444 2.710) 5.206 6.702 ( 1.340 -2.724 1.445) 3.362 6.895 ( -0.159 5.492 -0.198) 5.497 7.066 ( 3.407 -3.584 3.554) 6.090 7.237 ( 3.722 1.096 -3.575) 5.276 7.289 ( -0.223 1.091 2.217) 2.481 7.456 ( 1.309 8.693 -0.409) 8.801 7.540 ( -0.280 2.187 0.287) 2.224 7.633 ( 8.785 -0.050 -0.551) 8.802 7.789 ( 7.202 0.327 -2.751) 7.716 8.319 ( -3.340 12.847 0.304) 13.278 8.763 ( -2.212 -5.413 0.066) 5.848 8.845 ( 0.465 2.296 9.411) 9.698 8.966 ( 2.556 1.813 1.655) 3.544 9.132 ( -10.887 -2.393 -5.158) 12.282 9.152 ( -0.214 -2.490 4.669) 5.296 9.505 ( -4.374 -2.192 8.026) 9.400 9.659 ( 3.200 -5.901 6.702) 9.486 9.925 ( 4.295 5.011 3.369) 7.410 9.971 ( 5.280 1.556 2.804) 6.178 13.046 ( 1.899 1.816 -5.200) 5.826 13.079 ( 2.577 0.035 -8.026) 8.430 13.239 ( 5.775 2.497 -0.234) 6.296 13.343 ( 9.871 -1.463 -0.916) 10.021 14.189 ( -2.034 1.992 4.335) 5.187 14.284 ( -8.329 -1.158 0.758) 8.443 14.485 ( -8.945 3.905 -2.450) 10.063 14.734 ( -17.148 -5.664 -18.132) 25.591 16.459 ( -9.248 1.607 10.887) 14.375 16.556 ( -8.666 -2.320 11.076) 14.254 17.796 ( -1.252 3.322 -1.867) 4.011 17.919 ( -2.740 -1.950 1.278) 3.597 19.788 ( -13.862 9.244 36.417) 40.047 20.598 ( -1.352 -31.983 41.787) 52.639 22.024 ( 24.518 27.385 -0.113) 36.757 22.656 ( 19.090 -6.702 -9.567) 22.380 ======================= Grid point 107 (60/138) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -5.398 5.713 23.676) 24.946 1.079 ( -7.868 10.520 22.122) 25.729 1.625 ( -2.657 -15.875 2.251) 16.253 1.778 ( -5.361 -17.803 13.378) 22.906 2.021 ( -16.551 24.198 24.331) 38.098 2.413 ( -3.753 12.757 -9.666) 16.439 2.528 ( -0.878 18.403 2.852) 18.643 2.735 ( -0.287 8.599 3.789) 9.401 2.909 ( -9.246 -1.215 -10.008) 13.679 3.050 ( 3.835 -3.625 1.099) 5.390 3.372 ( 12.230 -1.896 7.878) 14.670 3.467 ( 7.994 -11.718 0.864) 14.212 3.518 ( -6.661 -16.265 7.595) 19.147 3.583 ( 6.941 -6.726 10.251) 14.089 3.943 ( 2.317 0.608 -1.822) 3.010 4.104 ( 2.372 -2.710 -7.762) 8.557 4.132 ( -0.436 -0.343 -2.683) 2.739 4.184 ( -3.993 -1.659 1.408) 4.547 4.417 ( 3.557 1.756 -4.688) 6.141 4.509 ( 6.512 -2.923 -7.053) 10.035 4.750 ( -1.272 1.261 -4.328) 4.684 4.874 ( 4.406 -0.200 -3.271) 5.491 4.975 ( 0.767 0.025 0.419) 0.874 5.026 ( 0.561 -0.276 4.053) 4.101 5.139 ( -3.942 2.355 3.949) 6.056 5.301 ( -4.901 1.617 2.233) 5.624 5.327 ( -3.882 -5.825 2.974) 7.606 5.514 ( -13.067 -13.085 4.482) 19.028 5.810 ( -0.949 5.686 0.731) 5.811 5.930 ( 1.572 6.556 -0.656) 6.773 6.037 ( 1.317 -4.917 -5.753) 7.682 6.153 ( 4.335 -1.489 -2.363) 5.157 6.210 ( 3.573 -1.841 -2.220) 4.592 6.263 ( 0.789 -0.850 -0.727) 1.369 6.445 ( 1.933 -1.150 6.964) 7.318 6.511 ( 4.061 -7.207 9.870) 12.878 6.589 ( -0.116 0.061 7.974) 7.975 6.742 ( -0.104 -3.223 4.486) 5.525 6.916 ( 4.218 5.411 -1.068) 6.943 7.130 ( 4.132 -3.659 -0.239) 5.524 7.270 ( 3.098 0.839 -4.095) 5.204 7.301 ( 0.178 0.354 1.248) 1.309 7.488 ( 1.328 4.473 1.149) 4.805 7.542 ( -0.458 1.246 4.505) 4.697 7.803 ( 9.417 0.187 -0.677) 9.443 7.849 ( 0.691 -1.884 1.024) 2.253 8.280 ( 0.137 15.893 -2.123) 16.035 8.644 ( -10.722 -4.619 -3.147) 12.092 8.818 ( -11.316 3.280 -1.958) 11.943 8.893 ( -1.772 -2.255 1.734) 3.352 8.994 ( -0.074 3.288 3.226) 4.607 9.178 ( -1.432 -1.928 1.708) 2.947 9.577 ( 0.011 -0.572 12.236) 12.250 9.751 ( 1.485 -4.755 3.016) 5.823 10.060 ( 4.470 3.937 3.885) 7.111 10.101 ( 5.599 2.775 5.517) 8.336 13.034 ( 1.992 1.314 -6.042) 6.496 13.065 ( 3.256 -0.148 -8.046) 8.681 13.331 ( 3.455 4.142 -2.299) 5.864 13.451 ( 3.313 -1.198 -7.902) 8.652 14.144 ( -1.513 3.560 2.901) 4.835 14.207 ( -3.090 0.368 5.537) 6.352 14.381 ( -3.736 -0.250 -2.724) 4.631 14.413 ( -3.263 -1.166 1.925) 3.964 16.380 ( -9.355 1.750 11.188) 14.688 16.489 ( -8.751 -2.643 11.563) 14.741 17.756 ( -1.073 3.440 -2.706) 4.506 17.876 ( -2.833 -1.837 0.632) 3.435 19.795 ( -17.901 10.718 35.683) 41.335 20.769 ( -13.138 -38.274 30.883) 50.905 22.332 ( 11.116 21.608 -19.313) 31.040 22.813 ( 9.799 -5.273 -17.433) 20.682 ======================= Grid point 108 (61/138) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.900 -15.252 14.257) 20.897 1.345 ( 0.900 15.252 14.257) 20.897 1.492 ( -0.982 -12.747 16.410) 20.803 1.492 ( -0.982 12.747 16.410) 20.803 2.367 ( -9.157 -4.795 -2.040) 10.536 2.367 ( -9.157 4.795 -2.040) 10.536 2.695 ( -5.555 -15.323 9.090) 18.663 2.695 ( -5.555 15.323 9.090) 18.663 3.029 ( 1.617 -17.047 4.165) 17.622 3.029 ( 1.617 17.047 4.165) 17.622 3.253 ( 6.197 -7.597 2.330) 10.077 3.253 ( 6.197 7.597 2.330) 10.077 3.688 ( 5.053 -6.078 5.285) 9.508 3.688 ( 5.053 6.078 5.285) 9.508 4.019 ( -0.936 -3.348 -5.094) 6.167 4.019 ( -0.936 3.348 -5.094) 6.167 4.080 ( -0.883 -0.218 1.097) 1.425 4.080 ( -0.883 0.218 1.097) 1.425 4.529 ( 7.146 -3.609 -3.002) 8.550 4.529 ( 7.146 3.609 -3.002) 8.550 4.786 ( 0.580 -7.653 -6.558) 10.095 4.786 ( 0.580 7.653 -6.558) 10.095 5.016 ( -0.946 -1.623 2.694) 3.284 5.016 ( -0.946 1.623 2.694) 3.284 5.184 ( -5.007 -2.602 4.182) 7.023 5.184 ( -5.007 2.602 4.182) 7.023 5.260 ( -3.876 -1.351 3.186) 5.196 5.260 ( -3.876 1.351 3.186) 5.196 5.914 ( 1.087 -5.382 -0.637) 5.527 5.914 ( 1.087 5.382 -0.637) 5.527 6.093 ( -0.871 -7.288 -4.228) 8.470 6.093 ( -0.871 7.288 -4.228) 8.470 6.244 ( 4.021 -2.469 -2.197) 5.205 6.244 ( 4.021 2.469 -2.197) 5.205 6.499 ( -2.616 -0.808 7.594) 8.072 6.499 ( -2.616 0.808 7.594) 8.072 6.606 ( -4.368 -5.160 0.987) 6.832 6.606 ( -4.368 5.160 0.987) 6.832 7.177 ( 6.037 -4.637 2.200) 7.924 7.177 ( 6.037 4.637 2.200) 7.924 7.280 ( 0.433 -0.177 -6.190) 6.207 7.280 ( 0.433 0.177 -6.190) 6.207 7.548 ( -3.205 -3.439 5.872) 7.522 7.548 ( -3.205 3.439 5.872) 7.522 7.866 ( 1.118 -0.679 3.240) 3.494 7.866 ( 1.118 0.679 3.240) 3.494 8.445 ( -1.659 -3.980 -3.428) 5.508 8.445 ( -1.659 3.980 -3.428) 5.508 8.822 ( 0.871 -6.493 3.096) 7.246 8.822 ( 0.871 6.493 3.096) 7.246 9.057 ( -5.278 -4.030 -0.289) 6.647 9.057 ( -5.278 4.030 -0.289) 6.647 9.662 ( -3.217 -3.901 6.520) 8.251 9.662 ( -3.217 3.901 6.520) 8.251 10.175 ( -1.588 -2.136 3.326) 4.260 10.175 ( -1.588 2.136 3.326) 4.260 13.054 ( 3.515 -1.222 -7.300) 8.193 13.054 ( 3.515 1.222 -7.300) 8.193 13.316 ( -4.647 -1.093 -9.449) 10.587 13.316 ( -4.647 1.093 -9.449) 10.587 14.259 ( 0.818 -2.385 5.853) 6.373 14.259 ( 0.818 2.385 5.853) 6.373 14.517 ( 15.873 -3.372 3.777) 16.661 14.517 ( 15.873 3.372 3.777) 16.661 16.371 ( -7.716 -3.227 11.786) 14.452 16.371 ( -7.716 3.227 11.786) 14.452 17.788 ( -0.927 -2.963 -1.912) 3.646 17.788 ( -0.927 2.963 -1.912) 3.646 20.039 ( -25.665 -21.581 35.071) 48.522 20.039 ( -25.665 21.581 35.071) 48.522 22.502 ( -5.718 -15.133 -23.786) 28.766 22.502 ( -5.718 15.133 -23.786) 28.766 ======================= Grid point 110 (62/138) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 5.045 -11.947 14.762) 19.650 1.513 ( 5.045 11.947 14.762) 19.650 1.676 ( 7.130 -8.155 16.650) 19.864 1.676 ( 7.130 8.155 16.650) 19.864 2.192 ( -4.081 -3.212 -4.530) 6.891 2.192 ( -4.081 3.212 -4.530) 6.891 2.717 ( -4.437 -11.012 12.232) 17.047 2.717 ( -4.437 11.012 12.232) 17.047 3.116 ( 5.158 -14.932 1.977) 15.921 3.116 ( 5.158 14.932 1.977) 15.921 3.408 ( 6.440 -4.115 4.593) 8.916 3.408 ( 6.440 4.115 4.593) 8.916 3.731 ( -1.060 -8.225 1.272) 8.390 3.731 ( -1.060 8.225 1.272) 8.390 3.891 ( -5.086 -3.324 -5.586) 8.254 3.891 ( -5.086 3.324 -5.586) 8.254 4.112 ( 0.484 -1.958 0.596) 2.104 4.112 ( 0.484 1.958 0.596) 2.104 4.638 ( 4.423 -3.683 -0.393) 5.769 4.638 ( 4.423 3.683 -0.393) 5.769 4.747 ( 1.891 -6.963 -6.056) 9.420 4.747 ( 1.891 6.963 -6.056) 9.420 4.997 ( -3.368 -1.609 2.314) 4.392 4.997 ( -3.368 1.609 2.314) 4.392 5.128 ( -3.583 -2.750 4.254) 6.205 5.128 ( -3.583 2.750 4.254) 6.205 5.253 ( -0.431 -1.009 1.258) 1.669 5.253 ( -0.431 1.009 1.258) 1.669 5.939 ( 1.288 -4.254 -0.520) 4.474 5.939 ( 1.288 4.254 -0.520) 4.474 6.021 ( -3.285 -6.044 -2.504) 7.321 6.021 ( -3.285 6.044 -2.504) 7.321 6.306 ( 4.850 -3.241 -2.411) 6.312 6.306 ( 4.850 3.241 -2.411) 6.312 6.440 ( -5.531 -0.666 1.529) 5.777 6.440 ( -5.531 0.666 1.529) 5.777 6.603 ( -0.242 -4.344 5.092) 6.698 6.603 ( -0.242 4.344 5.092) 6.698 7.126 ( -6.973 -2.266 -4.706) 8.712 7.126 ( -6.973 2.266 -4.706) 8.712 7.304 ( 2.423 -2.079 -0.359) 3.213 7.304 ( 2.423 2.079 -0.359) 3.213 7.525 ( -2.712 -4.810 2.195) 5.942 7.525 ( -2.712 4.810 2.195) 5.942 7.933 ( 1.494 -2.405 6.687) 7.261 7.933 ( 1.494 2.405 6.687) 7.261 8.348 ( -7.048 -7.137 -3.531) 10.634 8.348 ( -7.048 7.137 -3.531) 10.634 8.831 ( -7.059 -5.694 0.510) 9.084 8.831 ( -7.059 5.694 0.510) 9.084 9.016 ( 5.404 -7.303 1.407) 9.193 9.016 ( 5.404 7.303 1.407) 9.193 9.656 ( -3.333 -2.379 7.821) 8.828 9.656 ( -3.333 2.379 7.821) 8.828 10.145 ( -4.542 -2.228 4.229) 6.594 10.145 ( -4.542 2.228 4.229) 6.594 13.043 ( 0.439 -1.889 -5.770) 6.087 13.043 ( 0.439 1.889 -5.770) 6.087 13.186 ( -0.730 -1.493 -8.589) 8.749 13.186 ( -0.730 1.493 -8.589) 8.749 14.295 ( -1.127 -5.974 4.653) 7.656 14.295 ( -1.127 5.974 4.653) 7.656 14.884 ( 20.158 -9.282 1.509) 22.243 14.884 ( 20.158 9.282 1.509) 22.243 16.353 ( -4.789 -2.640 11.862) 13.062 16.353 ( -4.789 2.640 11.862) 13.062 17.769 ( 0.819 -3.002 -2.354) 3.902 17.769 ( 0.819 3.002 -2.354) 3.902 19.836 ( -26.421 -14.554 32.716) 44.500 19.836 ( -26.421 14.554 32.716) 44.500 22.176 ( -10.959 -17.840 -16.622) 26.733 22.176 ( -10.959 17.840 -16.622) 26.733 ======================= Grid point 112 (63/138) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 7.836 -10.512 14.164) 19.301 1.746 ( 7.836 10.512 14.164) 19.301 1.960 ( 9.919 -8.131 12.743) 18.080 1.960 ( 9.919 8.131 12.743) 18.080 2.219 ( 8.625 -1.750 1.179) 8.879 2.219 ( 8.625 1.750 1.179) 8.879 2.694 ( -7.411 -6.661 8.279) 12.955 2.694 ( -7.411 6.661 8.279) 12.955 3.209 ( 4.133 -11.949 -2.471) 12.883 3.209 ( 4.133 11.949 -2.471) 12.883 3.479 ( -0.509 -6.605 0.157) 6.627 3.479 ( -0.509 6.605 0.157) 6.627 3.650 ( -6.207 -5.772 -3.913) 9.336 3.650 ( -6.207 5.772 -3.913) 9.336 3.877 ( 4.266 -2.489 2.943) 5.749 3.877 ( 4.266 2.489 2.943) 5.749 4.121 ( 1.532 -2.538 0.605) 3.026 4.121 ( 1.532 2.538 0.605) 3.026 4.628 ( -1.299 -2.694 -5.638) 6.383 4.628 ( -1.299 2.694 -5.638) 6.383 4.762 ( 2.434 -2.139 -3.840) 5.024 4.762 ( 2.434 2.139 -3.840) 5.024 4.951 ( -3.421 -1.251 1.533) 3.952 4.951 ( -3.421 1.251 1.533) 3.952 5.125 ( -3.684 -3.539 9.137) 10.468 5.125 ( -3.684 3.539 9.137) 10.468 5.256 ( 0.591 -1.033 0.303) 1.228 5.256 ( 0.591 1.033 0.303) 1.228 5.875 ( -3.248 -3.224 -8.267) 9.449 5.875 ( -3.248 3.224 -8.267) 9.449 6.010 ( -0.275 -5.677 4.672) 7.357 6.010 ( -0.275 5.677 4.672) 7.357 6.332 ( -1.152 -1.669 -4.045) 4.524 6.332 ( -1.152 1.669 -4.045) 4.524 6.416 ( 2.310 -4.564 4.053) 6.527 6.416 ( 2.310 4.564 4.053) 6.527 6.632 ( -0.782 -5.356 2.999) 6.188 6.632 ( -0.782 5.356 2.999) 6.188 6.977 ( -5.302 -3.850 -1.638) 6.754 6.977 ( -5.302 3.850 -1.638) 6.754 7.310 ( -3.597 -1.179 5.367) 6.567 7.310 ( -3.597 1.179 5.367) 6.567 7.501 ( 1.536 -5.267 -5.330) 7.649 7.501 ( 1.536 5.267 -5.330) 7.649 7.952 ( -5.284 -2.851 -1.478) 6.183 7.952 ( -5.284 2.851 -1.478) 6.183 8.182 ( -9.053 -10.851 5.855) 15.297 8.182 ( -9.053 10.851 5.855) 15.297 8.705 ( -5.011 -1.744 0.717) 5.354 8.705 ( -5.011 1.744 0.717) 5.354 9.148 ( 5.280 -10.817 2.394) 12.273 9.148 ( 5.280 10.817 2.394) 12.273 9.668 ( -2.283 -1.400 6.848) 7.353 9.668 ( -2.283 1.400 6.848) 7.353 10.096 ( -4.638 -2.798 4.151) 6.824 10.096 ( -4.638 2.798 4.151) 6.824 12.992 ( -1.204 -1.186 -3.160) 3.584 12.992 ( -1.204 1.186 -3.160) 3.584 13.147 ( 2.698 -0.886 -8.087) 8.571 13.147 ( 2.698 0.886 -8.087) 8.571 14.298 ( -1.682 -8.156 2.642) 8.736 14.298 ( -1.682 8.156 2.642) 8.736 15.188 ( 13.413 -12.294 -1.070) 18.226 15.188 ( 13.413 12.294 -1.070) 18.226 16.392 ( -1.532 -1.179 11.814) 11.971 16.392 ( -1.532 1.179 11.814) 11.971 17.783 ( 2.784 -3.308 -2.169) 4.837 17.783 ( 2.784 3.308 -2.169) 4.837 19.667 ( -21.254 -8.536 32.002) 39.354 19.667 ( -21.254 8.536 32.002) 39.354 21.892 ( -9.269 -15.334 -9.041) 20.069 21.892 ( -9.269 15.334 -9.041) 20.069 ======================= Grid point 114 (64/138) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.299 -9.432 9.484) 14.049 1.965 ( 4.299 9.432 9.484) 14.049 2.181 ( 6.094 -2.453 5.928) 8.848 2.181 ( 6.094 2.453 5.928) 8.848 2.451 ( 11.206 -7.946 6.623) 15.250 2.451 ( 11.206 7.946 6.623) 15.250 2.598 ( -8.222 -8.887 4.180) 12.808 2.598 ( -8.222 8.887 4.180) 12.808 3.171 ( -3.566 -8.541 -6.831) 11.503 3.171 ( -3.566 8.541 -6.831) 11.503 3.429 ( -4.608 -3.821 2.098) 6.344 3.429 ( -4.608 3.821 2.098) 6.344 3.596 ( 3.313 -8.095 -2.636) 9.135 3.596 ( 3.313 8.095 -2.636) 9.135 3.949 ( 3.959 -2.173 -4.531) 6.397 3.949 ( 3.959 2.173 -4.531) 6.397 4.174 ( 1.238 -3.680 -1.008) 4.011 4.174 ( 1.238 3.680 -1.008) 4.011 4.558 ( -0.604 -2.985 -3.456) 4.607 4.558 ( -0.604 2.985 -3.456) 4.607 4.753 ( 0.652 -2.684 -3.881) 4.763 4.753 ( 0.652 2.684 -3.881) 4.763 4.909 ( -2.666 -1.533 2.901) 4.227 4.909 ( -2.666 1.533 2.901) 4.227 5.123 ( -5.437 -1.718 11.312) 12.668 5.123 ( -5.437 1.718 11.312) 12.668 5.300 ( 2.042 -0.496 4.894) 5.326 5.300 ( 2.042 0.496 4.894) 5.326 5.749 ( -1.711 -3.067 -10.973) 11.522 5.749 ( -1.711 3.067 -10.973) 11.522 6.033 ( -1.679 -7.402 4.389) 8.768 6.033 ( -1.679 7.402 4.389) 8.768 6.267 ( -2.698 -2.772 -1.812) 4.272 6.267 ( -2.698 2.772 -1.812) 4.272 6.498 ( 2.428 -3.490 1.918) 4.664 6.498 ( 2.428 3.490 1.918) 4.664 6.617 ( -1.203 -4.941 -0.432) 5.103 6.617 ( -1.203 4.941 -0.432) 5.103 6.937 ( -1.084 -3.868 3.535) 5.352 6.937 ( -1.084 3.868 3.535) 5.352 7.280 ( -5.998 -0.124 9.470) 11.211 7.280 ( -5.998 0.124 9.470) 11.211 7.483 ( 2.896 -6.071 -11.063) 12.947 7.483 ( 2.896 6.071 -11.063) 12.947 7.742 ( -10.778 -2.071 -4.591) 11.897 7.742 ( -10.778 2.071 -4.591) 11.897 8.158 ( -2.981 -5.761 9.536) 11.533 8.158 ( -2.981 5.761 9.536) 11.533 8.682 ( -0.119 -0.895 3.859) 3.963 8.682 ( -0.119 0.895 3.859) 3.963 9.218 ( 0.585 -8.857 2.830) 9.317 9.218 ( 0.585 8.857 2.830) 9.317 9.670 ( -2.759 -0.791 4.469) 5.311 9.670 ( -2.759 0.791 4.469) 5.311 10.049 ( -4.067 -3.561 3.016) 6.190 10.049 ( -4.067 3.561 3.016) 6.190 12.968 ( 0.448 -1.792 -0.923) 2.065 12.968 ( 0.448 1.792 -0.923) 2.065 13.134 ( 2.752 -0.409 -7.429) 7.933 13.134 ( 2.752 0.409 -7.429) 7.933 14.285 ( -1.432 -9.069 1.335) 9.278 14.285 ( -1.432 9.069 1.335) 9.278 15.332 ( 5.122 -13.220 -3.472) 14.597 15.332 ( 5.122 13.220 -3.472) 14.597 16.474 ( -0.193 -0.964 11.694) 11.736 16.474 ( -0.193 0.964 11.694) 11.736 17.827 ( 3.632 -3.514 -1.566) 5.291 17.827 ( 3.632 3.514 -1.566) 5.291 19.602 ( -15.326 -5.432 32.781) 36.592 19.602 ( -15.326 5.432 32.781) 36.592 21.717 ( -4.626 -12.526 -3.631) 13.838 21.717 ( -4.626 12.526 -3.631) 13.838 ======================= Grid point 116 (65/138) ======================= q-point: (-0.56 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -5.197 -8.873 1.958) 10.468 2.003 ( -5.197 8.873 1.958) 10.468 2.207 ( -7.122 -1.140 1.246) 7.319 2.207 ( -7.122 1.140 1.246) 7.319 2.466 ( -7.887 -8.378 2.743) 11.828 2.466 ( -7.887 8.378 2.743) 11.828 2.673 ( 5.353 -9.397 4.987) 11.909 2.673 ( 5.353 9.397 4.987) 11.909 3.095 ( 1.336 -7.951 -1.761) 8.252 3.095 ( 1.336 7.951 -1.761) 8.252 3.385 ( -2.510 -4.771 0.828) 5.454 3.385 ( -2.510 4.771 0.828) 5.454 3.637 ( 3.471 -2.861 -5.125) 6.819 3.637 ( 3.471 2.861 -5.125) 6.819 3.965 ( 1.488 -2.901 -4.160) 5.285 3.965 ( 1.488 2.901 -4.160) 5.285 4.086 ( -3.330 -1.307 -8.895) 9.587 4.086 ( -3.330 1.307 -8.895) 9.587 4.533 ( -2.173 -2.338 -1.820) 3.674 4.533 ( -2.173 2.338 -1.820) 3.674 4.796 ( 5.288 -5.441 2.227) 7.907 4.796 ( 5.288 5.441 2.227) 7.907 4.919 ( 0.772 -1.635 4.353) 4.713 4.919 ( 0.772 1.635 4.353) 4.713 5.127 ( -4.274 -1.125 11.882) 12.678 5.127 ( -4.274 1.125 11.882) 12.678 5.388 ( 1.078 -0.807 8.959) 9.059 5.388 ( 1.078 0.807 8.959) 9.059 5.662 ( 2.737 -3.549 -11.983) 12.794 5.662 ( 2.737 3.549 -11.983) 12.794 6.016 ( -3.391 -6.562 3.381) 8.124 6.016 ( -3.391 6.562 3.381) 8.124 6.213 ( -2.669 -1.793 -0.785) 3.310 6.213 ( -2.669 1.793 -0.785) 3.310 6.502 ( -2.103 -1.976 -0.702) 2.970 6.502 ( -2.103 1.976 -0.702) 2.970 6.613 ( 1.074 -1.580 -1.149) 2.229 6.613 ( 1.074 1.580 -1.149) 2.229 6.940 ( -2.661 -3.356 3.348) 5.436 6.940 ( -2.661 3.356 3.348) 5.436 7.257 ( -5.267 -1.289 8.342) 9.949 7.257 ( -5.267 1.289 8.342) 9.949 7.415 ( -0.007 -3.701 -6.805) 7.746 7.415 ( -0.007 3.701 -6.805) 7.746 7.615 ( 0.780 -2.057 -5.554) 5.974 7.615 ( 0.780 2.057 -5.554) 5.974 8.207 ( 0.621 -2.626 8.743) 9.150 8.207 ( 0.621 2.626 8.743) 9.150 8.734 ( 0.820 -3.304 5.999) 6.898 8.734 ( 0.820 3.304 5.999) 6.898 9.231 ( -1.566 -6.449 3.679) 7.588 9.231 ( -1.566 6.449 3.679) 7.588 9.645 ( -3.126 -1.503 2.675) 4.381 9.645 ( -3.126 1.503 2.675) 4.381 9.993 ( -4.290 -4.021 1.114) 5.985 9.993 ( -4.290 4.021 1.114) 5.985 12.990 ( 2.079 -2.087 0.434) 2.977 12.990 ( 2.079 2.087 0.434) 2.977 13.126 ( 2.747 -0.605 -6.920) 7.470 13.126 ( 2.747 0.605 -6.920) 7.470 14.274 ( -0.873 -8.852 1.199) 8.975 14.274 ( -0.873 8.852 1.199) 8.975 15.323 ( -1.491 -13.130 -6.148) 14.574 15.323 ( -1.491 13.130 -6.148) 14.574 16.552 ( -1.750 -1.420 11.479) 11.698 16.552 ( -1.750 1.420 11.479) 11.698 17.875 ( 2.647 -3.477 -0.895) 4.461 17.875 ( 2.647 3.477 -0.895) 4.461 19.639 ( -11.074 -5.221 34.822) 36.912 19.639 ( -11.074 5.221 34.822) 36.912 21.682 ( 2.549 -12.410 -0.155) 12.670 21.682 ( 2.549 12.410 -0.155) 12.670 ======================= Grid point 118 (66/138) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -14.276 -11.613 -2.749) 18.607 1.825 ( -14.276 11.613 -2.749) 18.607 1.997 ( -16.583 -6.133 2.129) 17.809 1.997 ( -16.583 6.133 2.129) 17.809 2.375 ( -2.672 -7.326 2.742) 8.266 2.375 ( -2.672 7.326 2.742) 8.266 2.741 ( 0.354 -12.058 2.299) 12.280 2.741 ( 0.354 12.058 2.299) 12.280 3.134 ( -0.241 -6.014 1.229) 6.143 3.134 ( -0.241 6.014 1.229) 6.143 3.314 ( -3.798 -7.971 -4.327) 9.833 3.314 ( -3.798 7.971 -4.327) 9.833 3.621 ( -1.435 -7.548 -4.851) 9.087 3.621 ( -1.435 7.548 -4.851) 9.087 3.935 ( 1.067 -9.522 -1.932) 9.774 3.935 ( 1.067 9.522 -1.932) 9.774 4.043 ( 3.456 -4.083 -4.569) 7.035 4.043 ( 3.456 4.083 -4.569) 7.035 4.475 ( -1.727 -4.930 -2.439) 5.765 4.475 ( -1.727 4.930 -2.439) 5.765 4.866 ( -0.121 -2.141 2.609) 3.377 4.866 ( -0.121 2.141 2.609) 3.377 5.004 ( 3.019 -3.096 3.666) 5.669 5.004 ( 3.019 3.096 3.666) 5.669 5.163 ( -1.317 -1.072 9.816) 9.962 5.163 ( -1.317 1.072 9.816) 9.962 5.453 ( -1.655 -3.151 8.323) 9.052 5.453 ( -1.655 3.151 8.323) 9.052 5.675 ( 7.525 -5.013 -7.488) 11.740 5.675 ( 7.525 5.013 -7.488) 11.740 5.991 ( -2.363 -3.761 4.105) 6.048 5.991 ( -2.363 3.761 4.105) 6.048 6.152 ( -2.788 -0.567 -1.969) 3.460 6.152 ( -2.788 0.567 -1.969) 3.460 6.425 ( -5.676 -3.440 -0.220) 6.641 6.425 ( -5.676 3.440 -0.220) 6.641 6.631 ( 2.738 -2.923 -3.199) 5.126 6.631 ( 2.738 2.923 -3.199) 5.126 6.910 ( -2.276 -3.569 2.988) 5.182 6.910 ( -2.276 3.569 2.988) 5.182 7.226 ( -1.659 -2.553 2.083) 3.689 7.226 ( -1.659 2.553 2.083) 3.689 7.434 ( 1.731 -0.329 3.814) 4.201 7.434 ( 1.731 0.329 3.814) 4.201 7.624 ( 5.754 -4.277 -8.788) 11.342 7.624 ( 5.754 4.277 -8.788) 11.342 8.327 ( 5.268 -2.986 8.616) 10.531 8.327 ( 5.268 2.986 8.616) 10.531 8.791 ( -0.159 -3.773 6.869) 7.838 8.791 ( -0.159 3.773 6.869) 7.838 9.229 ( -2.287 -5.598 4.183) 7.353 9.229 ( -2.287 5.598 4.183) 7.353 9.605 ( -3.749 -1.746 2.050) 4.616 9.605 ( -3.749 1.746 2.050) 4.616 9.922 ( -3.429 -3.612 -0.310) 4.991 9.922 ( -3.429 3.612 -0.310) 4.991 13.043 ( 3.472 -2.310 0.100) 4.172 13.043 ( 3.472 2.310 0.100) 4.172 13.124 ( 3.094 -0.899 -6.070) 6.873 13.124 ( 3.094 0.899 -6.070) 6.873 14.271 ( -1.018 -7.636 1.909) 7.937 14.271 ( -1.018 7.636 1.909) 7.937 15.188 ( -6.969 -12.655 -9.127) 17.089 15.188 ( -6.969 12.655 -9.127) 17.089 16.585 ( -4.752 -1.743 11.176) 12.269 16.585 ( -4.752 1.743 11.176) 12.269 17.900 ( 0.669 -3.377 -0.333) 3.459 17.900 ( 0.669 3.377 -0.333) 3.459 19.754 ( -8.734 -7.834 37.769) 39.549 19.754 ( -8.734 7.834 37.769) 39.549 21.808 ( 11.243 -14.978 1.154) 18.764 21.808 ( 11.243 14.978 1.154) 18.764 ======================= Grid point 120 (67/138) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -19.301 -7.268 -0.223) 20.625 1.495 ( -19.301 7.268 -0.223) 20.625 1.719 ( -16.927 -4.684 4.615) 18.159 1.719 ( -16.927 4.684 4.615) 18.159 2.455 ( 6.068 -5.710 8.582) 11.961 2.455 ( 6.068 5.710 8.582) 11.961 2.749 ( 0.098 -8.926 -0.231) 8.930 2.749 ( 0.098 8.926 -0.231) 8.930 3.042 ( -7.081 -10.144 -4.215) 13.069 3.042 ( -7.081 10.144 -4.215) 13.069 3.242 ( -4.393 -8.420 4.486) 10.503 3.242 ( -4.393 8.420 4.486) 10.503 3.519 ( -4.179 -8.817 -6.321) 11.626 3.519 ( -4.179 8.817 -6.321) 11.626 3.972 ( 2.919 -7.230 -2.262) 8.119 3.972 ( 2.919 7.230 -2.262) 8.119 4.095 ( 4.548 -4.183 -1.263) 6.307 4.095 ( 4.548 4.183 -1.263) 6.307 4.439 ( 0.358 -4.034 -3.445) 5.316 4.439 ( 0.358 4.034 -3.445) 5.316 4.857 ( -1.256 -1.227 -0.836) 1.944 4.857 ( -1.256 1.227 -0.836) 1.944 5.030 ( -2.600 -2.114 3.253) 4.671 5.030 ( -2.600 2.114 3.253) 4.671 5.221 ( -0.167 -1.685 5.966) 6.201 5.221 ( -0.167 1.685 5.966) 6.201 5.474 ( -2.509 -4.606 6.241) 8.152 5.474 ( -2.509 4.606 6.241) 8.152 5.778 ( 7.620 -4.864 -2.352) 9.341 5.778 ( 7.620 4.864 -2.352) 9.341 6.005 ( -0.368 -2.298 6.605) 7.003 6.005 ( -0.368 2.298 6.605) 7.003 6.106 ( 0.059 -2.278 -2.070) 3.079 6.106 ( 0.059 2.278 -2.070) 3.079 6.333 ( -3.874 -3.657 -0.054) 5.328 6.333 ( -3.874 3.657 -0.054) 5.328 6.636 ( 0.076 -3.622 -2.010) 4.143 6.636 ( 0.076 3.622 -2.010) 4.143 6.936 ( 1.854 -1.706 3.358) 4.198 6.936 ( 1.854 1.706 3.358) 4.198 7.245 ( 2.475 -2.672 -0.411) 3.666 7.245 ( 2.475 2.672 -0.411) 3.666 7.494 ( 0.875 -1.242 5.168) 5.387 7.494 ( 0.875 1.242 5.168) 5.387 7.663 ( 6.219 -4.876 -8.229) 11.409 7.663 ( 6.219 4.876 -8.229) 11.409 8.506 ( 7.472 -8.139 4.341) 11.871 8.506 ( 7.472 8.139 4.341) 11.871 8.849 ( 0.456 -2.349 8.785) 9.105 8.849 ( 0.456 2.349 8.785) 9.105 9.201 ( -4.645 -5.322 2.581) 7.521 9.201 ( -4.645 5.322 2.581) 7.521 9.542 ( -5.154 -1.622 3.697) 6.547 9.542 ( -5.154 1.622 3.697) 6.547 9.901 ( 1.514 -0.905 0.576) 1.856 9.901 ( 1.514 0.905 0.576) 1.856 13.083 ( 2.955 -1.434 -5.861) 6.719 13.083 ( 2.955 1.434 -5.861) 6.719 13.169 ( 5.814 -0.691 -0.617) 5.887 13.169 ( 5.814 0.691 -0.617) 5.887 14.263 ( -2.114 -5.536 2.938) 6.615 14.263 ( -2.114 5.536 2.938) 6.615 14.935 ( -12.153 -11.184 -11.763) 20.277 14.935 ( -12.153 11.184 -11.763) 20.277 16.564 ( -7.518 -2.231 11.021) 13.526 16.564 ( -7.518 2.231 11.021) 13.526 17.894 ( -1.037 -3.295 -0.078) 3.455 17.894 ( -1.037 3.295 -0.078) 3.455 19.918 ( -8.333 -13.103 40.605) 43.473 19.918 ( -8.333 13.103 40.605) 43.473 22.086 ( 19.624 -17.326 -0.725) 26.188 22.086 ( 19.624 17.326 -0.725) 26.188 ======================= Grid point 122 (68/138) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -10.669 -7.298 10.355) 16.562 1.252 ( -10.669 7.298 10.355) 16.562 1.499 ( -13.551 -4.814 9.132) 17.035 1.499 ( -13.551 4.814 9.132) 17.035 2.588 ( -4.768 -11.265 6.897) 14.043 2.588 ( -4.768 11.265 6.897) 14.043 2.788 ( 5.715 -8.728 0.704) 10.456 2.788 ( 5.715 8.728 0.704) 10.456 2.931 ( -1.022 -12.496 1.904) 12.682 2.931 ( -1.022 12.496 1.904) 12.682 3.222 ( -1.753 -10.114 5.430) 11.613 3.222 ( -1.753 10.114 5.430) 11.613 3.388 ( -4.812 -8.596 -4.627) 10.884 3.388 ( -4.812 8.596 -4.627) 10.884 3.983 ( 1.817 -5.522 -3.899) 6.999 3.983 ( 1.817 5.522 -3.899) 6.999 4.156 ( 1.845 -3.621 0.651) 4.116 4.156 ( 1.845 3.621 0.651) 4.116 4.436 ( 3.128 -2.161 -5.408) 6.610 4.436 ( 3.128 2.161 -5.408) 6.610 4.824 ( 0.539 -1.566 -4.953) 5.223 4.824 ( 0.539 1.566 -4.953) 5.223 5.002 ( -2.707 -1.175 3.690) 4.725 5.002 ( -2.707 1.175 3.690) 4.725 5.235 ( -2.867 -3.742 4.567) 6.563 5.235 ( -2.867 3.742 4.567) 6.563 5.448 ( -5.493 -5.660 4.188) 8.930 5.448 ( -5.493 5.660 4.188) 8.930 5.879 ( 5.034 -4.339 -1.802) 6.886 5.879 ( 5.034 4.339 -1.802) 6.886 6.071 ( 1.674 -4.434 1.562) 4.990 6.071 ( 1.674 4.434 1.562) 4.990 6.141 ( 3.615 -4.923 4.324) 7.483 6.141 ( 3.615 4.923 4.324) 7.483 6.312 ( 0.748 -2.580 4.173) 4.963 6.312 ( 0.748 2.580 4.173) 4.963 6.625 ( -0.366 -4.838 1.521) 5.085 6.625 ( -0.366 4.838 1.521) 5.085 6.993 ( 2.019 -4.195 1.077) 4.778 6.993 ( 2.019 4.195 1.077) 4.778 7.278 ( 2.173 -1.976 -2.343) 3.757 7.278 ( 2.173 1.976 -2.343) 3.757 7.544 ( 0.533 -1.867 3.096) 3.654 7.544 ( 0.533 1.867 3.096) 3.654 7.722 ( 6.147 -5.953 -3.530) 9.256 7.722 ( 6.147 5.953 -3.530) 9.256 8.587 ( 0.230 -11.658 -2.107) 11.849 8.587 ( 0.230 11.658 -2.107) 11.849 8.935 ( -1.398 -5.083 6.896) 8.680 8.935 ( -1.398 5.083 6.896) 8.680 9.104 ( -5.224 -1.526 0.990) 5.531 9.104 ( -5.224 1.526 0.990) 5.531 9.543 ( 0.721 -4.886 7.897) 9.314 9.543 ( 0.721 4.886 7.897) 9.314 9.983 ( 5.815 -0.871 2.926) 6.568 9.983 ( 5.815 0.871 2.926) 6.568 13.073 ( 2.387 -0.770 -7.739) 8.135 13.073 ( 2.387 0.770 -7.739) 8.135 13.298 ( 8.552 -2.894 -0.348) 9.035 13.298 ( 8.552 2.894 -0.348) 9.035 14.240 ( -3.504 -2.776 3.434) 5.637 14.240 ( -3.504 2.776 3.434) 5.637 14.601 ( -14.072 -6.907 -10.385) 18.803 14.601 ( -14.072 6.907 -10.385) 18.803 16.503 ( -9.113 -2.627 11.207) 14.681 16.503 ( -9.113 2.627 11.207) 14.681 17.866 ( -1.901 -3.218 -0.350) 3.754 17.866 ( -1.901 3.218 -0.350) 3.754 20.078 ( -11.209 -19.811 41.172) 47.045 20.078 ( -11.209 19.811 41.172) 47.045 22.443 ( 22.732 -14.989 -8.341) 28.478 22.443 ( 22.732 14.989 -8.341) 28.478 ======================= Grid point 124 (69/138) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.440 -10.982 13.088) 17.258 1.256 ( -2.440 10.982 13.088) 17.258 1.420 ( -6.295 -13.849 16.405) 22.373 1.420 ( -6.295 13.849 16.405) 22.373 2.485 ( -8.845 -11.964 6.436) 16.211 2.485 ( -8.845 11.964 6.436) 16.211 2.795 ( -4.106 -6.718 -2.525) 8.268 2.795 ( -4.106 6.718 -2.525) 8.268 2.992 ( -1.044 -15.235 6.252) 16.501 2.992 ( -1.044 15.235 6.252) 16.501 3.197 ( 0.018 -7.523 -4.133) 8.583 3.197 ( 0.018 7.523 -4.133) 8.583 3.461 ( 9.942 -5.211 11.041) 15.745 3.461 ( 9.942 5.211 11.041) 15.745 3.997 ( 3.086 -4.574 -3.254) 6.405 3.997 ( 3.086 4.574 -3.254) 6.405 4.150 ( -2.888 -1.882 -0.379) 3.468 4.150 ( -2.888 1.882 -0.379) 3.468 4.460 ( 5.111 -2.330 -6.333) 8.465 4.460 ( 5.111 2.330 -6.333) 8.465 4.808 ( 2.672 -4.290 -6.834) 8.500 4.808 ( 2.672 4.290 -6.834) 8.500 5.003 ( -1.078 -1.679 4.130) 4.587 5.003 ( -1.078 1.679 4.130) 4.587 5.211 ( -3.501 -4.739 4.942) 7.690 5.211 ( -3.501 4.739 4.942) 7.690 5.355 ( -7.892 -3.920 3.272) 9.400 5.355 ( -7.892 3.920 3.272) 9.400 5.912 ( 0.993 -5.516 -2.172) 6.011 5.912 ( 0.993 5.516 -2.172) 6.011 6.102 ( 2.672 -6.841 -2.707) 7.827 6.102 ( 2.672 6.841 -2.707) 7.827 6.207 ( 2.224 -3.039 -1.220) 3.959 6.207 ( 2.224 3.039 -1.220) 3.959 6.426 ( 2.100 -1.038 11.015) 11.261 6.426 ( 2.100 1.038 11.015) 11.261 6.650 ( -0.967 -4.824 4.398) 6.599 6.650 ( -0.967 4.824 4.398) 6.599 7.040 ( 5.074 -5.654 -0.406) 7.608 7.040 ( 5.074 5.654 -0.406) 7.608 7.293 ( 1.894 -1.039 -2.599) 3.380 7.293 ( 1.894 1.039 -2.599) 3.380 7.554 ( -1.813 -1.087 3.412) 4.013 7.554 ( -1.813 1.087 3.412) 4.013 7.811 ( 4.644 -1.254 -0.271) 4.817 7.811 ( 4.644 1.254 -0.271) 4.817 8.518 ( -4.020 -8.336 -3.175) 9.784 8.518 ( -4.020 8.336 -3.175) 9.784 8.855 ( -6.197 -1.634 1.208) 6.522 8.855 ( -6.197 1.634 1.208) 6.522 9.100 ( -1.090 -5.607 3.410) 6.652 9.100 ( -1.090 5.607 3.410) 6.652 9.634 ( 1.010 -5.472 6.693) 8.704 9.634 ( 1.010 5.472 6.693) 8.704 10.119 ( 5.075 -1.227 3.553) 6.315 10.119 ( 5.075 1.227 3.553) 6.315 13.055 ( 2.905 -0.801 -7.825) 8.385 13.055 ( 2.905 0.801 -7.825) 8.385 13.408 ( 3.845 -3.068 -5.747) 7.565 13.408 ( 3.845 3.068 -5.747) 7.565 14.200 ( -1.604 -1.487 2.773) 3.532 14.200 ( -1.604 1.487 2.773) 3.532 14.388 ( -3.136 -1.059 0.425) 3.337 14.388 ( -3.136 1.059 0.425) 3.337 16.429 ( -9.209 -2.972 11.551) 15.069 16.429 ( -9.209 2.972 11.551) 15.069 17.826 ( -1.856 -3.103 -1.087) 3.776 17.826 ( -1.856 3.103 -1.087) 3.776 20.140 ( -18.335 -23.893 38.592) 48.953 20.140 ( -18.335 23.893 38.592) 48.953 22.650 ( 11.177 -11.236 -20.605) 25.995 22.650 ( 11.177 11.236 -20.605) 25.995 ======================= Grid point 135 (70/138) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -4.579 0.000 15.567) 16.226 1.636 ( -6.640 0.000 20.109) 21.176 1.746 ( 5.266 0.000 4.583) 6.982 2.192 ( -10.259 0.000 12.195) 15.937 2.273 ( -10.273 0.000 -11.578) 15.478 2.305 ( 5.797 0.000 13.854) 15.018 2.393 ( -3.594 0.000 8.282) 9.028 2.672 ( -0.294 0.000 31.764) 31.766 2.814 ( 0.361 0.000 8.175) 8.183 3.425 ( 5.954 0.000 6.320) 8.683 3.536 ( -4.073 0.000 -8.203) 9.159 3.610 ( -0.507 0.000 -2.093) 2.154 3.631 ( 7.371 0.000 -15.010) 16.722 3.829 ( 0.048 0.000 -4.766) 4.766 3.874 ( 5.627 0.000 -5.259) 7.702 4.059 ( -2.979 0.000 -3.030) 4.249 4.138 ( 0.278 0.000 5.054) 5.062 4.191 ( -0.248 0.000 5.514) 5.520 4.466 ( 8.644 0.000 3.675) 9.393 4.567 ( 5.656 0.000 -6.972) 8.978 4.603 ( -2.318 0.000 0.298) 2.337 4.842 ( -0.409 0.000 -7.918) 7.928 4.858 ( 0.686 0.000 -0.259) 0.733 5.073 ( 3.700 0.000 3.257) 4.930 5.236 ( -7.786 0.000 3.084) 8.375 5.304 ( -7.859 0.000 10.014) 12.729 5.375 ( -2.086 0.000 -0.776) 2.225 5.452 ( -10.809 0.000 4.440) 11.686 5.849 ( 4.075 0.000 -8.168) 9.128 5.872 ( 1.438 0.000 2.545) 2.924 5.892 ( 0.790 0.000 -0.427) 0.898 6.211 ( 4.779 0.000 -1.724) 5.081 6.265 ( 1.572 0.000 0.472) 1.642 6.289 ( -0.472 0.000 1.254) 1.340 6.441 ( 0.464 0.000 -0.848) 0.967 6.571 ( -5.615 0.000 0.540) 5.640 6.771 ( -7.551 0.000 -1.750) 7.751 6.815 ( 9.488 0.000 -18.727) 20.994 6.831 ( 3.921 0.000 0.292) 3.932 6.979 ( -2.786 0.000 5.606) 6.260 7.182 ( 4.946 0.000 -11.211) 12.254 7.388 ( -10.410 0.000 -0.691) 10.433 7.567 ( -2.614 0.000 3.160) 4.101 7.629 ( -0.807 0.000 0.387) 0.894 7.930 ( 2.518 0.000 3.067) 3.968 7.953 ( 4.808 0.000 3.262) 5.810 8.170 ( -2.566 0.000 13.827) 14.063 8.511 ( -1.688 0.000 3.709) 4.075 8.704 ( -4.412 0.000 2.710) 5.178 9.000 ( 0.531 0.000 -3.108) 3.153 9.009 ( -5.567 0.000 2.123) 5.958 9.105 ( 1.316 0.000 -0.382) 1.370 9.860 ( -3.501 0.000 7.174) 7.983 9.878 ( -0.822 0.000 3.748) 3.837 10.160 ( -1.916 0.000 5.197) 5.539 10.284 ( -1.802 0.000 5.228) 5.529 12.935 ( 4.336 0.000 -6.110) 7.492 12.953 ( 0.676 0.000 -1.685) 1.815 13.093 ( -4.170 0.000 -10.045) 10.876 13.162 ( -2.987 0.000 -5.185) 5.984 14.325 ( -7.171 0.000 7.615) 10.460 14.428 ( 8.800 0.000 9.098) 12.658 14.605 ( 3.689 0.000 5.981) 7.027 14.640 ( 20.026 0.000 1.800) 20.107 16.551 ( -7.992 0.000 13.703) 15.863 16.749 ( -9.474 0.000 15.651) 18.295 17.563 ( 1.370 0.000 -7.685) 7.806 17.808 ( -0.245 0.000 -5.045) 5.051 20.269 ( -18.488 0.000 30.468) 35.639 21.341 ( -33.177 0.000 3.485) 33.360 21.460 ( 0.997 0.000 -0.858) 1.315 22.384 ( -0.139 0.000 -20.781) 20.781 ======================= Grid point 136 (71/138) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 10.485 0.000 15.539) 18.745 1.686 ( -1.015 0.000 14.058) 14.094 1.921 ( 5.247 0.000 9.288) 10.668 2.119 ( -7.328 0.000 10.208) 12.566 2.126 ( 1.978 0.000 -0.458) 2.031 2.475 ( 3.399 0.000 8.611) 9.257 2.493 ( 2.916 0.000 13.970) 14.271 2.855 ( -4.566 0.000 19.531) 20.057 2.932 ( 5.537 0.000 7.507) 9.329 3.287 ( -13.458 0.000 -8.250) 15.786 3.451 ( -1.859 0.000 -2.059) 2.774 3.641 ( 4.439 0.000 -3.677) 5.764 3.650 ( 5.070 0.000 -11.128) 12.228 3.835 ( 2.967 0.000 4.729) 5.582 3.870 ( 1.687 0.000 -11.384) 11.508 4.019 ( -1.596 0.000 3.319) 3.683 4.081 ( -7.869 0.000 -1.119) 7.948 4.300 ( 5.909 0.000 6.617) 8.872 4.530 ( 2.929 0.000 -11.732) 12.092 4.558 ( -4.309 0.000 1.793) 4.668 4.603 ( 0.538 0.000 -1.878) 1.954 4.754 ( -1.913 0.000 -8.346) 8.562 4.921 ( 3.945 0.000 1.381) 4.180 5.071 ( -5.243 0.000 0.948) 5.328 5.212 ( 0.997 0.000 7.496) 7.562 5.253 ( -5.814 0.000 11.601) 12.976 5.350 ( -0.498 0.000 1.943) 2.006 5.370 ( -4.737 0.000 5.411) 7.192 5.830 ( -0.827 0.000 -7.632) 7.676 5.875 ( 1.131 0.000 -4.693) 4.827 5.938 ( 2.360 0.000 3.380) 4.122 6.203 ( -0.711 0.000 -6.338) 6.378 6.256 ( -1.805 0.000 -1.972) 2.673 6.352 ( 2.972 0.000 3.392) 4.510 6.488 ( -2.220 0.000 6.219) 6.603 6.528 ( 4.122 0.000 2.961) 5.075 6.624 ( -6.160 0.000 -0.518) 6.182 6.840 ( 10.197 0.000 -19.250) 21.784 6.885 ( 1.292 0.000 -0.185) 1.305 6.966 ( -3.609 0.000 7.254) 8.102 7.148 ( -13.286 0.000 -1.215) 13.341 7.172 ( 5.974 0.000 -16.211) 17.277 7.539 ( -3.741 0.000 4.400) 5.775 7.583 ( -5.060 0.000 2.885) 5.825 7.945 ( -5.710 0.000 2.136) 6.097 7.970 ( -1.141 0.000 2.474) 2.724 8.253 ( -3.852 0.000 12.906) 13.468 8.563 ( -0.262 0.000 6.350) 6.355 8.717 ( 2.823 0.000 5.598) 6.269 8.829 ( -8.396 0.000 -5.071) 9.809 8.904 ( -7.013 0.000 0.594) 7.038 9.255 ( 9.504 0.000 0.361) 9.511 9.852 ( -3.351 0.000 7.242) 7.980 9.882 ( -1.836 0.000 3.010) 3.526 10.137 ( -4.764 0.000 4.247) 6.382 10.261 ( -4.796 0.000 4.947) 6.891 12.927 ( -1.752 0.000 -4.787) 5.097 12.965 ( 4.401 0.000 -6.233) 7.630 12.999 ( 0.290 0.000 -1.648) 1.673 13.087 ( -0.648 0.000 -5.527) 5.565 14.246 ( -7.057 0.000 4.646) 8.449 14.653 ( 8.909 0.000 6.266) 10.892 14.662 ( 0.451 0.000 2.320) 2.363 15.043 ( 22.435 0.000 -3.119) 22.650 16.557 ( -3.930 0.000 14.417) 14.943 16.718 ( -8.059 0.000 16.031) 17.943 17.545 ( 3.548 0.000 -7.430) 8.233 17.789 ( 2.441 0.000 -4.386) 5.020 20.188 ( -18.416 0.000 32.061) 36.974 20.833 ( -32.156 0.000 18.390) 37.043 21.458 ( -0.900 0.000 0.103) 0.906 22.187 ( -4.337 0.000 -17.070) 17.613 ======================= Grid point 137 (72/138) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.088 0.000 14.049) 15.736 1.925 ( 15.754 0.000 10.490) 18.927 2.022 ( 3.193 0.000 1.711) 3.623 2.097 ( -4.038 0.000 9.313) 10.151 2.337 ( 11.943 0.000 12.199) 17.072 2.549 ( -2.417 0.000 1.313) 2.751 2.621 ( -0.495 0.000 10.819) 10.831 2.824 ( -10.050 0.000 9.003) 13.493 3.041 ( -5.886 0.000 -1.345) 6.038 3.076 ( 5.667 0.000 -0.715) 5.712 3.401 ( -1.803 0.000 -0.524) 1.878 3.667 ( 0.158 0.000 -4.532) 4.535 3.673 ( 5.678 0.000 -2.884) 6.369 3.776 ( -0.554 0.000 -13.549) 13.561 3.880 ( -7.740 0.000 -9.529) 12.277 3.973 ( 2.162 0.000 7.239) 7.555 4.037 ( 1.581 0.000 5.401) 5.628 4.436 ( -0.967 0.000 -1.528) 1.808 4.448 ( 1.300 0.000 -16.913) 16.963 4.480 ( -2.492 0.000 8.716) 9.066 4.535 ( -5.768 0.000 -0.490) 5.788 4.682 ( 2.180 0.000 -6.590) 6.941 4.953 ( 0.456 0.000 0.110) 0.469 5.031 ( -1.437 0.000 2.192) 2.621 5.287 ( -2.355 0.000 13.164) 13.373 5.304 ( 2.306 0.000 7.526) 7.871 5.339 ( -3.800 0.000 5.358) 6.569 5.399 ( 1.960 0.000 6.136) 6.441 5.711 ( -4.987 0.000 -7.409) 8.931 5.831 ( -1.868 0.000 -6.504) 6.767 5.956 ( -3.187 0.000 0.965) 3.330 6.149 ( 1.364 0.000 -6.083) 6.235 6.213 ( -1.850 0.000 0.923) 2.067 6.374 ( -1.416 0.000 -0.906) 1.681 6.494 ( -1.922 0.000 6.403) 6.685 6.585 ( 0.123 0.000 2.926) 2.928 6.666 ( 4.654 0.000 4.991) 6.824 6.849 ( -4.321 0.000 -1.916) 4.726 6.860 ( 8.744 0.000 -18.140) 20.138 6.978 ( -0.755 0.000 5.147) 5.202 6.992 ( -5.546 0.000 5.475) 7.793 7.152 ( 7.776 0.000 -17.733) 19.363 7.505 ( -5.143 0.000 6.239) 8.086 7.517 ( -5.394 0.000 4.374) 6.945 7.832 ( -8.088 0.000 1.101) 8.162 7.912 ( -7.537 0.000 0.502) 7.554 8.235 ( -6.530 0.000 10.346) 12.235 8.442 ( -11.117 0.000 -1.105) 11.171 8.793 ( -5.669 0.000 1.205) 5.795 8.827 ( 4.873 0.000 5.059) 7.024 8.851 ( 4.240 0.000 7.936) 8.997 9.383 ( 4.188 0.000 0.201) 4.193 9.861 ( -2.858 0.000 2.051) 3.518 9.865 ( -1.367 0.000 6.579) 6.719 10.065 ( -6.651 0.000 3.300) 7.424 10.202 ( -5.773 0.000 3.928) 6.983 12.872 ( 0.098 0.000 -3.672) 3.673 12.985 ( 3.411 0.000 -6.244) 7.115 13.022 ( 1.196 0.000 1.950) 2.287 13.049 ( 1.072 0.000 -5.187) 5.296 14.163 ( -5.125 0.000 2.440) 5.676 14.658 ( -1.081 0.000 -1.026) 1.491 14.817 ( 5.408 0.000 2.536) 5.973 15.337 ( 15.257 0.000 -7.651) 17.068 16.624 ( -1.971 0.000 14.182) 14.318 16.734 ( -4.847 0.000 17.587) 18.243 17.573 ( 5.780 0.000 -6.356) 8.592 17.822 ( 4.583 0.000 -3.524) 5.781 20.140 ( -16.271 0.000 33.320) 37.080 20.531 ( -23.096 0.000 28.398) 36.605 21.431 ( -2.532 0.000 0.798) 2.655 21.994 ( -4.072 0.000 -11.126) 11.848 ======================= Grid point 138 (73/138) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -6.550 0.000 2.068) 6.869 2.077 ( -1.858 0.000 3.687) 4.129 2.118 ( -1.922 0.000 2.452) 3.115 2.263 ( 11.059 0.000 6.765) 12.964 2.461 ( 10.003 0.000 0.493) 10.015 2.571 ( -11.180 0.000 1.026) 11.227 2.708 ( 7.785 0.000 16.618) 18.351 2.727 ( -9.042 0.000 10.674) 13.989 3.069 ( 5.083 0.000 4.247) 6.624 3.079 ( -1.617 0.000 -5.124) 5.373 3.397 ( 0.297 0.000 1.800) 1.824 3.451 ( -14.199 0.000 -12.076) 18.640 3.673 ( 2.119 0.000 -14.911) 15.061 3.725 ( -3.475 0.000 -1.463) 3.771 3.788 ( 4.367 0.000 -10.010) 10.921 4.046 ( 5.522 0.000 4.053) 6.850 4.092 ( -0.667 0.000 -0.898) 1.119 4.318 ( -6.338 0.000 1.974) 6.638 4.323 ( -0.203 0.000 -16.204) 16.205 4.454 ( -3.340 0.000 2.643) 4.259 4.562 ( 1.762 0.000 7.406) 7.612 4.765 ( 9.326 0.000 -1.513) 9.448 4.970 ( 0.314 0.000 1.570) 1.601 5.035 ( -0.222 0.000 2.709) 2.718 5.305 ( -2.920 0.000 5.018) 5.806 5.383 ( -0.969 0.000 15.064) 15.095 5.398 ( 1.754 0.000 6.698) 6.924 5.492 ( 0.833 0.000 8.797) 8.837 5.560 ( -4.913 0.000 -6.475) 8.128 5.752 ( -0.994 0.000 -3.485) 3.624 5.883 ( -3.633 0.000 0.841) 3.729 6.160 ( 3.800 0.000 -3.868) 5.422 6.191 ( -2.478 0.000 1.634) 2.968 6.334 ( -1.506 0.000 -1.230) 1.945 6.491 ( -3.755 0.000 3.898) 5.413 6.609 ( -0.588 0.000 1.269) 1.398 6.735 ( -0.882 0.000 3.139) 3.261 6.758 ( -4.794 0.000 -0.267) 4.801 6.865 ( 7.476 0.000 -15.855) 17.529 6.974 ( -3.344 0.000 6.607) 7.405 7.003 ( 1.854 0.000 -2.326) 2.974 7.165 ( 7.185 0.000 -14.067) 15.796 7.444 ( -7.706 0.000 6.391) 10.011 7.465 ( -4.304 0.000 3.973) 5.857 7.693 ( -7.560 0.000 0.773) 7.599 7.724 ( -11.379 0.000 -0.760) 11.404 8.248 ( -1.190 0.000 11.756) 11.816 8.319 ( -2.714 0.000 2.090) 3.426 8.733 ( -2.515 0.000 2.212) 3.349 8.959 ( 4.383 0.000 5.931) 7.375 8.962 ( 0.859 0.000 8.070) 8.116 9.407 ( -1.596 0.000 1.501) 2.191 9.816 ( -3.308 0.000 1.016) 3.460 9.895 ( -1.046 0.000 4.509) 4.628 9.965 ( -6.981 0.000 2.445) 7.397 10.122 ( -5.779 0.000 1.847) 6.067 12.872 ( 2.268 0.000 -2.038) 3.049 12.988 ( 2.479 0.000 -5.686) 6.203 13.039 ( 2.094 0.000 -4.592) 5.047 13.058 ( 0.468 0.000 2.852) 2.890 14.118 ( -1.796 0.000 2.463) 3.048 14.623 ( -1.129 0.000 -2.272) 2.537 14.877 ( 0.709 0.000 -0.855) 1.110 15.453 ( 6.456 0.000 -10.994) 12.750 16.700 ( -2.251 0.000 14.209) 14.386 16.813 ( -2.987 0.000 17.859) 18.107 17.638 ( 6.423 0.000 -5.333) 8.348 17.884 ( 5.002 0.000 -2.937) 5.801 20.139 ( -13.744 0.000 32.887) 35.644 20.463 ( -13.539 0.000 34.924) 37.457 21.387 ( -2.939 0.000 0.772) 3.038 21.893 ( 0.492 0.000 -5.346) 5.369 ======================= Grid point 139 (74/138) ======================= q-point: (-0.56 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -11.223 0.000 2.089) 11.415 2.039 ( -2.307 0.000 -3.517) 4.206 2.043 ( -6.472 0.000 2.555) 6.958 2.259 ( -13.254 0.000 -5.650) 14.408 2.497 ( 3.261 0.000 5.139) 6.087 2.621 ( -10.756 0.000 8.273) 13.570 2.693 ( -4.355 0.000 8.259) 9.337 2.865 ( 10.877 0.000 5.892) 12.370 2.976 ( -6.780 0.000 -1.815) 7.019 3.060 ( -12.373 0.000 -11.088) 16.614 3.337 ( 11.706 0.000 6.720) 13.497 3.386 ( -5.449 0.000 2.502) 5.996 3.607 ( -1.980 0.000 -4.593) 5.001 3.609 ( 6.041 0.000 -17.576) 18.585 3.812 ( 5.880 0.000 -7.968) 9.902 3.875 ( -11.965 0.000 -8.868) 14.893 4.204 ( 0.456 0.000 -13.204) 13.212 4.223 ( 1.362 0.000 0.282) 1.390 4.332 ( 2.217 0.000 13.088) 13.274 4.457 ( -0.219 0.000 4.204) 4.210 4.670 ( 3.918 0.000 7.595) 8.546 4.907 ( 9.033 0.000 -7.607) 11.809 4.975 ( -1.301 0.000 1.447) 1.946 5.064 ( 0.513 0.000 3.411) 3.449 5.314 ( -1.052 0.000 6.185) 6.274 5.460 ( -1.085 0.000 6.308) 6.401 5.477 ( -0.141 0.000 4.005) 4.007 5.499 ( -0.913 0.000 11.433) 11.469 5.549 ( -1.874 0.000 9.567) 9.748 5.756 ( 3.665 0.000 -1.008) 3.801 5.893 ( 2.623 0.000 3.615) 4.466 6.148 ( -3.522 0.000 1.473) 3.817 6.216 ( 4.654 0.000 -1.008) 4.762 6.299 ( -1.935 0.000 -0.314) 1.961 6.422 ( -5.694 0.000 0.766) 5.745 6.571 ( -3.566 0.000 -1.696) 3.949 6.664 ( -4.408 0.000 -1.994) 4.838 6.669 ( -7.758 0.000 -0.404) 7.768 6.880 ( 7.675 0.000 -14.300) 16.230 6.960 ( -3.416 0.000 6.297) 7.164 6.993 ( -1.239 0.000 -2.853) 3.110 7.170 ( 7.300 0.000 -15.164) 16.830 7.353 ( -5.743 0.000 3.750) 6.859 7.430 ( -2.534 0.000 2.302) 3.424 7.584 ( -4.824 0.000 2.947) 5.653 7.614 ( -3.432 0.000 3.660) 5.017 8.360 ( 1.597 0.000 11.833) 11.940 8.369 ( 5.168 0.000 4.747) 7.017 8.731 ( -0.599 0.000 4.060) 4.104 9.012 ( -1.916 0.000 7.505) 7.746 9.068 ( 3.002 0.000 5.458) 6.229 9.378 ( -3.090 0.000 2.836) 4.194 9.773 ( -1.924 0.000 0.535) 1.997 9.868 ( -5.623 0.000 2.699) 6.238 9.872 ( -5.084 0.000 1.930) 5.438 10.037 ( -4.293 0.000 -1.012) 4.411 12.912 ( 3.477 0.000 -1.125) 3.655 12.984 ( 1.952 0.000 -5.275) 5.624 13.048 ( 2.661 0.000 -3.596) 4.473 13.080 ( 0.057 0.000 1.781) 1.781 14.141 ( 0.874 0.000 4.759) 4.838 14.590 ( -0.771 0.000 -1.839) 1.994 14.832 ( -4.086 0.000 -2.862) 4.989 15.400 ( -1.191 0.000 -13.564) 13.616 16.762 ( -3.725 0.000 14.023) 14.509 16.889 ( -4.523 0.000 17.217) 17.801 17.700 ( 4.969 0.000 -5.003) 7.052 17.942 ( 3.841 0.000 -2.589) 4.632 20.177 ( -11.282 0.000 32.303) 34.217 20.592 ( -4.843 0.000 38.151) 38.457 21.349 ( -1.638 0.000 0.492) 1.711 21.931 ( 7.317 0.000 -2.746) 7.816 ======================= Grid point 140 (75/138) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -6.941 0.000 9.193) 11.519 1.758 ( -23.063 0.000 -1.603) 23.119 1.996 ( 0.248 0.000 -4.473) 4.480 2.104 ( -3.814 0.000 3.501) 5.177 2.430 ( -9.165 0.000 0.284) 9.169 2.528 ( -10.732 0.000 0.155) 10.734 2.623 ( -2.093 0.000 11.154) 11.348 2.813 ( -7.739 0.000 -0.807) 7.781 2.831 ( -7.677 0.000 -0.750) 7.714 3.129 ( 10.030 0.000 1.611) 10.158 3.278 ( -7.934 0.000 4.812) 9.280 3.439 ( 3.894 0.000 -14.414) 14.931 3.522 ( -13.883 0.000 1.883) 14.010 3.664 ( 5.447 0.000 -14.683) 15.661 3.736 ( 12.356 0.000 3.954) 12.973 3.857 ( 5.006 0.000 -5.188) 7.210 4.141 ( 3.229 0.000 -11.023) 11.486 4.244 ( 0.354 0.000 2.668) 2.692 4.400 ( -4.623 0.000 10.255) 11.249 4.477 ( -1.336 0.000 2.298) 2.658 4.787 ( 2.521 0.000 1.343) 2.857 4.945 ( -3.045 0.000 0.948) 3.189 4.948 ( 5.630 0.000 -11.723) 13.005 5.089 ( -0.693 0.000 2.056) 2.170 5.357 ( -1.068 0.000 7.923) 7.995 5.465 ( -3.662 0.000 6.536) 7.492 5.532 ( -1.154 0.000 8.180) 8.261 5.584 ( -2.473 0.000 7.262) 7.671 5.607 ( 4.930 0.000 12.904) 13.814 5.856 ( 6.730 0.000 -0.275) 6.736 5.980 ( 0.785 0.000 4.677) 4.742 6.121 ( 0.616 0.000 3.369) 3.425 6.226 ( -3.105 0.000 -0.082) 3.106 6.324 ( 2.279 0.000 2.449) 3.345 6.330 ( -5.320 0.000 1.438) 5.511 6.471 ( -3.183 0.000 -4.237) 5.299 6.503 ( -7.170 0.000 -2.043) 7.455 6.611 ( 0.757 0.000 -2.209) 2.335 6.900 ( 7.400 0.000 -16.349) 17.946 6.921 ( -3.115 0.000 -2.264) 3.851 7.002 ( 2.926 0.000 7.663) 8.203 7.199 ( 9.092 0.000 -15.441) 17.919 7.334 ( 0.068 0.000 4.585) 4.586 7.393 ( -3.405 0.000 1.375) 3.672 7.582 ( 0.314 0.000 4.527) 4.537 7.607 ( -1.852 0.000 4.834) 5.176 8.422 ( -3.565 0.000 6.034) 7.008 8.567 ( 11.884 0.000 5.271) 13.001 8.792 ( 2.296 0.000 7.812) 8.142 9.018 ( -4.160 0.000 7.681) 8.735 9.152 ( 1.942 0.000 4.581) 4.975 9.344 ( -3.372 0.000 1.565) 3.717 9.760 ( -0.446 0.000 0.657) 0.794 9.765 ( -6.992 0.000 2.265) 7.350 9.839 ( -0.081 0.000 2.936) 2.937 9.947 ( -4.821 0.000 -1.242) 4.978 12.966 ( 2.958 0.000 -0.829) 3.072 12.972 ( 1.602 0.000 -5.571) 5.796 13.078 ( 3.221 0.000 -1.887) 3.733 13.101 ( 2.347 0.000 -0.457) 2.391 14.210 ( 1.033 0.000 7.263) 7.336 14.562 ( -1.369 0.000 -0.626) 1.505 14.695 ( -8.566 0.000 -2.844) 9.026 15.200 ( -8.220 0.000 -15.883) 17.883 16.781 ( -6.538 0.000 13.584) 15.075 16.921 ( -6.998 0.000 16.656) 18.067 17.728 ( 2.730 0.000 -5.121) 5.803 17.972 ( 1.867 0.000 -2.541) 3.153 20.246 ( -9.998 0.000 31.786) 33.321 20.894 ( 4.982 0.000 37.746) 38.074 21.341 ( 0.429 0.000 0.025) 0.430 22.091 ( 13.450 0.000 -4.596) 14.213 ======================= Grid point 141 (76/138) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -19.162 0.000 8.542) 20.979 1.617 ( -9.487 0.000 14.311) 17.170 1.928 ( -2.745 0.000 -8.639) 9.065 2.120 ( -0.561 0.000 9.270) 9.287 2.294 ( -6.752 0.000 2.866) 7.335 2.431 ( -2.660 0.000 6.402) 6.933 2.634 ( -9.867 0.000 16.477) 19.205 2.688 ( -8.239 0.000 1.462) 8.367 2.828 ( 6.946 0.000 5.327) 8.753 3.189 ( 0.999 0.000 -8.666) 8.724 3.191 ( -8.725 0.000 4.241) 9.702 3.334 ( -2.612 0.000 1.878) 3.217 3.419 ( 5.015 0.000 -7.037) 8.641 3.702 ( 10.050 0.000 -15.255) 18.268 3.857 ( -1.249 0.000 -0.632) 1.400 3.982 ( 8.869 0.000 3.925) 9.699 4.137 ( 6.241 0.000 -11.662) 13.227 4.250 ( -2.282 0.000 1.840) 2.931 4.389 ( -5.088 0.000 10.015) 11.233 4.438 ( -3.437 0.000 0.134) 3.440 4.757 ( 0.999 0.000 -12.243) 12.283 4.897 ( -2.887 0.000 1.336) 3.181 4.945 ( 0.108 0.000 -2.443) 2.445 5.066 ( -2.655 0.000 0.084) 2.656 5.370 ( -5.480 0.000 9.515) 10.980 5.437 ( -4.288 0.000 4.054) 5.901 5.563 ( -4.754 0.000 4.079) 6.264 5.595 ( 2.489 0.000 5.913) 6.416 5.859 ( 9.235 0.000 11.929) 15.086 5.936 ( 3.604 0.000 -2.271) 4.260 5.958 ( -3.951 0.000 1.642) 4.279 6.190 ( -0.873 0.000 0.561) 1.038 6.233 ( 0.354 0.000 4.255) 4.270 6.252 ( -6.838 0.000 -4.132) 7.989 6.267 ( 2.113 0.000 3.778) 4.329 6.474 ( 1.928 0.000 1.897) 2.705 6.484 ( 4.055 0.000 4.787) 6.274 6.677 ( 6.916 0.000 2.552) 7.372 6.829 ( -1.281 0.000 -7.598) 7.705 6.908 ( 6.299 0.000 -15.579) 16.804 7.171 ( 7.169 0.000 8.400) 11.043 7.229 ( 5.480 0.000 -9.328) 10.818 7.357 ( -1.440 0.000 2.779) 3.129 7.417 ( 5.582 0.000 2.163) 5.986 7.609 ( -2.268 0.000 4.147) 4.727 7.650 ( 3.770 0.000 3.692) 5.277 8.351 ( -7.076 0.000 2.516) 7.510 8.808 ( 10.170 0.000 1.654) 10.304 8.897 ( 1.471 0.000 6.032) 6.209 8.996 ( -5.219 0.000 9.764) 11.071 9.202 ( 0.412 0.000 1.997) 2.039 9.239 ( -8.003 0.000 -5.615) 9.777 9.699 ( -3.182 0.000 5.247) 6.137 9.768 ( 0.374 0.000 2.183) 2.215 9.897 ( -0.455 0.000 5.795) 5.813 9.911 ( 4.087 0.000 4.463) 6.051 12.953 ( 1.413 0.000 -6.036) 6.200 12.987 ( 0.565 0.000 -1.582) 1.680 13.134 ( 4.143 0.000 0.063) 4.143 13.173 ( 7.087 0.000 -2.966) 7.683 14.269 ( -1.546 0.000 7.010) 7.178 14.507 ( -10.815 0.000 1.155) 10.876 14.528 ( -2.593 0.000 0.605) 2.663 14.868 ( -14.546 0.000 -15.687) 21.393 16.751 ( -8.932 0.000 13.461) 16.155 16.907 ( -9.323 0.000 16.216) 18.705 17.716 ( 0.778 0.000 -5.579) 5.633 17.967 ( -0.003 0.000 -2.928) 2.928 20.317 ( -10.510 0.000 31.026) 32.758 21.348 ( 14.791 0.000 29.930) 33.385 21.362 ( 2.167 0.000 -0.680) 2.271 22.301 ( 15.913 0.000 -9.918) 18.751 ======================= Grid point 142 (77/138) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.688 0.000 22.406) 22.891 1.558 ( -10.802 0.000 18.503) 21.425 1.798 ( -2.928 0.000 -8.429) 8.923 2.144 ( -4.957 0.000 3.341) 5.978 2.268 ( -4.280 0.000 13.273) 13.946 2.461 ( -17.446 0.000 20.563) 26.966 2.470 ( -2.885 0.000 9.366) 9.800 2.727 ( 0.828 0.000 13.028) 13.054 2.900 ( -4.013 0.000 -12.331) 12.967 3.073 ( -3.320 0.000 1.114) 3.502 3.251 ( 12.811 0.000 7.297) 14.744 3.440 ( 10.382 0.000 -1.423) 10.479 3.509 ( 9.355 0.000 -1.988) 9.564 3.765 ( 10.052 0.000 -13.400) 16.751 3.779 ( -6.172 0.000 1.398) 6.329 4.081 ( -1.985 0.000 1.422) 2.442 4.180 ( 9.560 0.000 -9.775) 13.673 4.200 ( -4.191 0.000 0.775) 4.262 4.359 ( -6.406 0.000 5.994) 8.773 4.423 ( 3.346 0.000 -0.773) 3.434 4.684 ( 1.875 0.000 -11.210) 11.365 4.878 ( -1.029 0.000 2.782) 2.967 4.920 ( -0.691 0.000 -1.496) 1.648 5.011 ( -2.506 0.000 -1.170) 2.766 5.338 ( -6.486 0.000 10.761) 12.565 5.385 ( -3.794 0.000 1.498) 4.079 5.498 ( -4.998 0.000 2.188) 5.456 5.690 ( 3.256 0.000 4.118) 5.250 5.891 ( -3.319 0.000 -2.886) 4.398 5.901 ( -3.546 0.000 1.028) 3.692 6.011 ( -6.358 0.000 -5.471) 8.388 6.101 ( 2.660 0.000 -0.852) 2.793 6.220 ( -0.302 0.000 1.179) 1.217 6.258 ( 3.292 0.000 2.352) 4.046 6.398 ( 4.016 0.000 4.046) 5.701 6.555 ( 5.909 0.000 3.485) 6.861 6.665 ( 7.375 0.000 9.176) 11.773 6.753 ( 0.007 0.000 -7.835) 7.835 6.851 ( 6.958 0.000 4.611) 8.347 6.885 ( 6.542 0.000 -17.162) 18.366 7.239 ( 1.688 0.000 -5.105) 5.377 7.335 ( 5.976 0.000 7.035) 9.231 7.414 ( 2.155 0.000 7.561) 7.862 7.542 ( 6.432 0.000 -0.452) 6.448 7.605 ( 0.010 0.000 4.101) 4.101 7.770 ( 6.600 0.000 1.792) 6.839 8.247 ( -7.191 0.000 4.226) 8.341 8.881 ( -6.004 0.000 3.566) 6.983 8.904 ( 0.835 0.000 -1.623) 1.825 8.952 ( -14.410 0.000 -11.086) 18.181 9.030 ( -0.934 0.000 8.634) 8.684 9.213 ( -0.629 0.000 0.507) 0.808 9.747 ( 1.186 0.000 9.579) 9.652 9.806 ( 0.958 0.000 3.827) 3.945 10.027 ( 3.927 0.000 5.569) 6.814 10.035 ( 7.230 0.000 9.388) 11.849 12.929 ( 1.615 0.000 -6.317) 6.521 12.974 ( 0.106 0.000 -2.428) 2.430 13.220 ( 4.512 0.000 0.655) 4.560 13.265 ( 6.598 0.000 -7.630) 10.088 14.234 ( -5.832 0.000 3.992) 7.067 14.399 ( -6.494 0.000 10.111) 12.017 14.436 ( -8.749 0.000 -8.203) 11.993 14.553 ( -7.228 0.000 1.885) 7.470 16.687 ( -10.244 0.000 13.426) 16.888 16.857 ( -10.547 0.000 15.999) 19.163 17.672 ( -0.299 0.000 -6.383) 6.390 17.928 ( -1.295 0.000 -3.785) 4.000 20.356 ( -12.823 0.000 30.228) 32.835 21.400 ( 2.900 0.000 -1.287) 3.173 21.782 ( 12.088 0.000 10.169) 15.796 22.461 ( 13.305 0.000 -16.287) 21.031 ======================= Grid point 143 (78/138) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.630 0.000 18.857) 20.343 1.564 ( -7.355 0.000 24.008) 25.109 1.717 ( 0.248 0.000 -5.698) 5.703 2.111 ( 0.294 0.000 11.247) 11.251 2.266 ( -8.154 0.000 13.052) 15.390 2.431 ( -8.062 0.000 7.102) 10.744 2.467 ( -5.871 0.000 29.745) 30.319 2.619 ( -12.773 0.000 -14.566) 19.373 2.785 ( -3.989 0.000 9.255) 10.078 3.191 ( 11.022 0.000 7.151) 13.139 3.530 ( 8.571 0.000 0.392) 8.580 3.588 ( 10.964 0.000 -11.814) 16.118 3.623 ( 4.024 0.000 -2.719) 4.857 3.783 ( 3.748 0.000 5.720) 6.838 3.832 ( 5.980 0.000 -7.533) 9.617 4.047 ( 0.825 0.000 2.880) 2.996 4.128 ( -3.422 0.000 -0.954) 3.552 4.253 ( -7.938 0.000 1.518) 8.082 4.293 ( 9.079 0.000 -2.965) 9.550 4.504 ( 5.892 0.000 -2.684) 6.474 4.642 ( 0.059 0.000 -4.857) 4.857 4.878 ( -1.862 0.000 1.288) 2.264 4.895 ( 0.174 0.000 -4.915) 4.918 4.995 ( 2.023 0.000 0.575) 2.103 5.328 ( -5.198 0.000 11.743) 12.843 5.328 ( -4.471 0.000 1.628) 4.758 5.429 ( -3.873 0.000 0.321) 3.886 5.678 ( -13.321 0.000 -0.504) 13.330 5.805 ( 2.284 0.000 3.064) 3.822 5.860 ( -1.724 0.000 1.327) 2.176 5.892 ( 0.961 0.000 -7.905) 7.963 6.148 ( 3.199 0.000 -1.580) 3.568 6.234 ( 0.717 0.000 1.171) 1.373 6.295 ( 0.182 0.000 0.150) 0.236 6.451 ( 0.748 0.000 -0.858) 1.138 6.666 ( -4.140 0.000 -1.691) 4.472 6.706 ( 7.299 0.000 2.067) 7.587 6.801 ( 7.606 0.000 -13.963) 15.901 6.904 ( -2.794 0.000 -1.124) 3.012 6.930 ( 5.638 0.000 0.469) 5.658 7.204 ( 0.411 0.000 -6.676) 6.689 7.463 ( -0.989 0.000 6.407) 6.483 7.555 ( 8.091 0.000 3.628) 8.867 7.575 ( -1.124 0.000 2.983) 3.188 7.756 ( 10.716 0.000 3.798) 11.369 7.868 ( 3.109 0.000 0.750) 3.199 8.175 ( -6.345 0.000 7.949) 10.171 8.622 ( -12.092 0.000 -3.375) 12.554 8.788 ( -6.957 0.000 3.134) 7.630 8.922 ( 3.169 0.000 -0.958) 3.311 9.055 ( -2.692 0.000 4.848) 5.545 9.180 ( -3.081 0.000 -1.389) 3.380 9.837 ( -0.235 0.000 8.242) 8.245 9.851 ( 0.281 0.000 4.237) 4.246 10.121 ( 1.356 0.000 5.781) 5.938 10.217 ( 4.421 0.000 6.925) 8.216 12.918 ( 2.931 0.000 -6.219) 6.875 12.959 ( 0.442 0.000 -2.380) 2.421 13.239 ( -0.827 0.000 -11.985) 12.014 13.248 ( -1.303 0.000 -3.230) 3.483 14.244 ( 2.366 0.000 8.825) 9.136 14.337 ( 6.579 0.000 0.521) 6.599 14.374 ( -6.374 0.000 10.158) 11.992 14.546 ( -0.613 0.000 6.895) 6.923 16.609 ( -10.311 0.000 13.324) 16.848 16.798 ( -10.270 0.000 15.873) 18.905 17.612 ( -0.073 0.000 -7.223) 7.223 17.867 ( -1.587 0.000 -4.748) 5.006 20.339 ( -16.121 0.000 29.856) 33.930 21.438 ( 2.433 0.000 -1.403) 2.809 21.801 ( -13.267 0.000 -4.968) 14.167 22.494 ( 6.835 0.000 -20.594) 21.699 ======================= Grid point 144 (79/138) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -3.661 9.405 16.419) 19.272 1.680 ( -3.090 3.404 21.156) 21.649 1.746 ( 4.262 -0.156 8.246) 9.283 2.062 ( -0.861 -13.369 13.232) 18.830 2.221 ( -9.065 2.028 1.341) 9.386 2.308 ( -11.142 1.465 -3.808) 11.865 2.631 ( 1.277 13.491 3.856) 14.090 2.761 ( 0.788 6.540 21.239) 22.237 2.921 ( -2.381 12.106 13.953) 18.626 3.318 ( 4.594 -9.190 1.516) 10.386 3.421 ( 7.297 -6.187 -1.984) 9.770 3.564 ( -5.110 -4.599 1.565) 7.051 3.720 ( 0.085 -2.458 0.541) 2.519 3.772 ( 2.580 4.004 -14.989) 15.728 3.919 ( 3.457 -1.838 -2.833) 4.833 4.036 ( -1.503 -0.714 -2.005) 2.606 4.054 ( -2.202 -7.206 5.858) 9.544 4.175 ( -0.355 -1.771 4.686) 5.022 4.409 ( 7.771 -1.603 -4.153) 8.956 4.497 ( 9.349 -3.899 -2.217) 10.370 4.630 ( -0.317 0.231 -3.498) 3.520 4.733 ( 2.161 -5.423 -7.527) 9.526 4.964 ( -0.364 4.943 -0.995) 5.055 5.080 ( 1.278 -0.114 2.075) 2.439 5.241 ( -5.321 0.274 3.259) 6.246 5.289 ( -6.512 -1.011 4.642) 8.061 5.351 ( -3.380 -0.485 5.609) 6.567 5.443 ( -9.598 -2.768 5.970) 11.637 5.846 ( 2.364 1.819 -4.406) 5.321 5.905 ( -0.020 1.109 0.054) 1.111 5.933 ( 1.175 4.104 -0.904) 4.364 6.125 ( 3.023 -5.781 -2.492) 6.984 6.223 ( 1.242 -2.611 0.685) 2.971 6.271 ( 1.833 -1.099 0.497) 2.194 6.538 ( -1.423 4.043 -0.881) 4.376 6.568 ( -5.822 0.293 0.724) 5.874 6.659 ( -3.957 -5.224 -1.871) 6.815 6.737 ( 1.809 -4.991 2.496) 5.867 6.902 ( 7.962 3.756 -16.290) 18.516 7.044 ( 6.057 -3.084 -9.533) 11.708 7.162 ( -4.215 6.558 0.684) 7.826 7.364 ( -4.243 -1.283 2.433) 5.057 7.597 ( -3.937 3.341 5.098) 7.256 7.688 ( -2.728 1.140 1.385) 3.264 7.925 ( 2.812 -0.063 3.451) 4.452 7.979 ( 7.083 -0.381 2.444) 7.502 8.259 ( -4.796 9.042 7.432) 12.649 8.505 ( -2.160 -1.297 3.067) 3.969 8.753 ( -2.499 4.874 2.801) 6.152 8.967 ( 0.300 -1.594 0.585) 1.724 9.033 ( -0.284 -0.360 0.601) 0.756 9.068 ( -5.725 -2.473 -2.211) 6.617 9.818 ( -2.895 -2.528 7.337) 8.283 9.846 ( -2.037 -2.863 4.676) 5.849 10.202 ( -1.849 3.368 5.107) 6.391 10.287 ( -1.682 -0.104 4.968) 5.247 12.933 ( 3.887 -0.026 -5.533) 6.762 12.947 ( 1.554 -0.526 -2.576) 3.054 13.104 ( -3.985 1.145 -9.721) 10.569 13.157 ( -3.408 -0.597 -6.409) 7.283 14.347 ( -5.860 2.134 7.590) 9.823 14.430 ( 6.102 -0.250 8.324) 10.324 14.596 ( 5.090 -0.479 5.751) 7.695 14.628 ( 19.641 -1.072 2.386) 19.814 16.576 ( -8.250 2.436 14.130) 16.542 16.715 ( -9.309 -3.070 15.498) 18.337 17.613 ( 1.118 4.329 -7.348) 8.601 17.781 ( 0.021 -2.625 -5.383) 5.989 20.364 ( -19.485 9.406 29.453) 36.546 21.013 ( -23.428 -19.293 15.596) 34.122 21.763 ( -6.089 16.890 -11.675) 21.416 22.303 ( -0.607 -7.854 -20.440) 21.906 ======================= Grid point 145 (80/138) ======================= q-point: ( 0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 8.740 8.787 16.844) 20.912 1.774 ( -0.271 8.418 14.364) 16.651 1.931 ( 5.279 0.386 11.498) 12.658 2.102 ( 1.284 -1.528 -1.548) 2.526 2.160 ( -2.314 0.524 8.057) 8.399 2.252 ( 1.928 -10.232 14.499) 17.850 2.708 ( 2.822 9.927 4.210) 11.146 2.873 ( -5.856 1.904 13.713) 15.032 2.998 ( 1.048 7.601 7.572) 10.780 3.325 ( -4.390 0.686 -9.933) 10.882 3.388 ( -1.830 -3.887 4.523) 6.238 3.582 ( 2.391 -4.284 -1.170) 5.044 3.681 ( -0.074 1.729 -11.556) 11.684 3.782 ( 4.369 -1.613 5.678) 7.344 3.886 ( -3.728 -9.756 -0.955) 10.488 3.969 ( -0.093 5.557 -5.439) 7.777 4.052 ( -6.009 -3.645 0.601) 7.054 4.250 ( 4.302 -6.631 8.825) 11.847 4.458 ( 2.441 0.120 -6.311) 6.768 4.546 ( 1.901 -1.116 -12.310) 12.505 4.624 ( 0.691 -0.498 -0.592) 1.037 4.720 ( 2.258 -3.898 -6.297) 7.742 4.966 ( 0.728 3.718 0.497) 3.821 5.060 ( -4.740 -0.986 0.210) 4.846 5.220 ( -0.550 0.684 7.941) 7.989 5.269 ( -1.372 0.522 7.757) 7.895 5.332 ( -3.304 -0.616 5.296) 6.272 5.374 ( -4.582 -0.967 6.534) 8.039 5.819 ( -1.772 0.280 -6.940) 7.168 5.865 ( -1.110 -0.492 -3.628) 3.826 5.985 ( 1.803 2.871 2.055) 3.964 6.113 ( -0.200 -3.153 -2.958) 4.328 6.283 ( 2.535 -3.785 2.464) 5.179 6.303 ( 1.291 -0.752 -1.543) 2.148 6.485 ( -3.959 -1.353 2.419) 4.833 6.536 ( 1.136 -2.199 3.117) 3.980 6.597 ( -2.358 2.897 0.062) 3.736 6.777 ( 0.149 -5.142 1.862) 5.470 6.897 ( 5.971 2.425 -16.165) 17.402 6.993 ( 0.357 -6.114 -10.542) 12.192 7.136 ( -1.243 10.015 3.197) 10.587 7.279 ( -3.334 3.114 -3.887) 5.993 7.554 ( -4.998 2.308 5.320) 7.656 7.624 ( -5.350 1.249 1.823) 5.789 7.976 ( -1.032 0.749 2.440) 2.753 8.008 ( -3.770 3.605 -1.984) 5.581 8.257 ( -5.429 2.582 12.647) 14.003 8.512 ( -2.197 -4.452 5.366) 7.310 8.768 ( -2.598 3.420 2.759) 5.105 8.865 ( -6.932 1.463 -1.266) 7.197 8.906 ( -1.912 2.553 0.273) 3.201 9.201 ( 9.526 -5.437 0.735) 10.993 9.818 ( -3.192 -2.272 6.944) 7.973 9.844 ( -2.386 -2.924 4.425) 5.816 10.180 ( -4.843 3.400 4.790) 7.613 10.266 ( -4.687 -0.026 4.880) 6.766 12.938 ( -0.704 0.857 -4.200) 4.344 12.962 ( 3.320 -0.292 -3.921) 5.146 13.002 ( 0.488 0.515 -4.872) 4.924 13.069 ( -0.866 -1.638 -5.983) 6.263 14.285 ( -6.268 3.798 4.585) 8.645 14.525 ( -0.383 -6.805 4.417) 8.122 14.785 ( 10.628 6.423 3.114) 12.802 15.007 ( 20.817 -3.428 -1.990) 21.191 16.577 ( -4.558 1.965 14.824) 15.633 16.690 ( -7.463 -2.496 15.972) 17.806 17.593 ( 3.236 4.198 -7.052) 8.822 17.762 ( 2.531 -2.651 -4.827) 6.061 20.255 ( -19.538 6.620 31.163) 37.372 20.689 ( -27.608 -11.630 22.465) 37.446 21.617 ( -3.688 12.935 -5.020) 14.357 22.107 ( -4.456 -7.728 -15.947) 18.272 ======================= Grid point 146 (81/138) ======================= q-point: ( 0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 2.488 5.753 12.254) 13.764 2.011 ( 13.354 6.281 11.110) 18.472 2.056 ( 4.735 3.550 4.242) 7.281 2.198 ( 1.812 5.216 6.103) 8.230 2.302 ( 11.542 -3.703 13.634) 18.244 2.434 ( 3.750 -6.446 11.205) 13.460 2.701 ( -8.085 3.902 0.163) 8.978 2.830 ( -6.795 1.190 8.482) 10.933 2.998 ( -2.178 2.616 -4.027) 5.273 3.231 ( 0.951 9.318 -3.037) 9.847 3.412 ( 0.349 -2.503 3.438) 4.267 3.557 ( -3.389 -6.300 -2.762) 7.669 3.641 ( 2.230 -2.401 -1.648) 3.668 3.781 ( -5.874 -5.472 -3.116) 8.611 3.836 ( -0.295 -2.284 -9.320) 9.600 3.897 ( -2.968 -6.222 -2.330) 7.277 4.038 ( 4.768 3.982 3.579) 7.170 4.314 ( -6.224 -7.689 -1.272) 9.974 4.455 ( 2.788 1.394 -9.727) 10.214 4.480 ( 3.517 1.566 -1.361) 4.083 4.620 ( 0.833 1.129 -0.286) 1.432 4.687 ( 0.302 0.315 -6.078) 6.094 4.982 ( 0.323 1.678 0.755) 1.868 4.995 ( -2.635 -1.996 1.619) 3.681 5.295 ( 0.001 0.932 8.607) 8.658 5.320 ( -2.323 0.280 8.121) 8.451 5.332 ( -1.208 -0.355 7.529) 7.633 5.392 ( 0.901 -1.161 8.174) 8.305 5.696 ( -4.914 -0.744 -7.095) 8.663 5.776 ( -4.582 -4.062 -6.646) 9.037 5.984 ( -2.266 2.869 1.268) 3.869 6.134 ( 3.484 1.403 -1.870) 4.196 6.262 ( -2.861 1.135 0.278) 3.091 6.327 ( -0.612 -4.265 -0.487) 4.336 6.483 ( 0.920 -2.885 2.994) 4.259 6.542 ( -2.306 0.870 1.215) 2.748 6.631 ( 2.384 -3.179 3.922) 5.583 6.745 ( -2.162 -4.473 -3.349) 5.991 6.893 ( 4.632 1.204 -5.680) 7.427 6.973 ( 2.980 -0.862 -3.940) 5.014 7.146 ( -0.137 9.161 2.092) 9.397 7.211 ( 2.423 4.194 -11.338) 12.329 7.507 ( -5.552 1.149 5.734) 8.064 7.543 ( -6.431 0.831 4.444) 7.862 7.853 ( -9.483 1.710 -1.429) 9.742 7.918 ( -8.319 0.130 -0.736) 8.353 8.244 ( -5.236 2.135 10.461) 11.892 8.427 ( -9.240 -2.214 1.487) 9.617 8.751 ( 0.224 -1.839 3.764) 4.195 8.784 ( -2.853 -1.740 4.567) 5.659 8.990 ( 5.025 9.044 3.929) 11.067 9.337 ( 5.019 -4.890 0.105) 7.009 9.818 ( -2.627 -2.954 5.719) 6.952 9.828 ( -3.152 -2.511 3.746) 5.502 10.117 ( -6.086 3.890 4.230) 8.371 10.208 ( -5.745 0.038 3.924) 6.958 12.893 ( 0.120 1.956 -3.258) 3.802 12.986 ( 2.992 -0.162 -4.273) 5.219 13.003 ( 0.963 -1.465 -1.198) 2.124 13.034 ( 1.724 -1.288 -4.803) 5.263 14.212 ( -4.660 4.792 2.299) 7.069 14.521 ( -1.800 -9.065 0.936) 9.289 14.958 ( 7.016 9.470 -0.346) 11.791 15.286 ( 14.001 -4.986 -6.483) 16.215 16.639 ( -2.351 1.367 14.811) 15.058 16.716 ( -4.350 -1.673 17.211) 17.830 17.618 ( 5.452 4.051 -5.978) 9.049 17.792 ( 4.657 -2.867 -3.943) 6.742 20.186 ( -16.930 4.410 32.815) 37.187 20.457 ( -21.453 -6.548 29.367) 36.953 21.531 ( -3.355 8.958 -1.595) 9.698 21.923 ( -4.114 -6.770 -9.899) 12.679 ======================= Grid point 147 (82/138) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -3.589 4.090 1.477) 5.639 2.137 ( -2.383 3.591 4.149) 5.982 2.246 ( 5.293 -0.097 -0.622) 5.330 2.329 ( -0.354 12.090 6.285) 13.631 2.472 ( 2.662 2.281 8.542) 9.233 2.556 ( -2.183 -2.562 7.352) 8.086 2.658 ( 2.193 -1.951 6.906) 7.504 2.749 ( -3.039 0.143 8.083) 8.637 2.988 ( 4.237 -1.230 -0.786) 4.481 3.188 ( -3.387 7.824 -5.635) 10.220 3.363 ( -7.918 -8.760 -6.745) 13.598 3.479 ( -1.359 4.208 1.010) 4.536 3.624 ( -5.602 -6.632 -4.011) 9.563 3.705 ( 0.779 -5.645 4.171) 7.062 3.748 ( 3.214 3.211 -13.591) 14.330 3.962 ( 7.237 -6.542 -1.103) 9.817 4.063 ( -1.343 -3.579 -3.183) 4.975 4.148 ( -6.529 -5.701 -4.113) 9.594 4.369 ( 0.630 4.678 -13.272) 14.087 4.583 ( 1.982 0.913 6.201) 6.573 4.621 ( -1.009 6.901 0.574) 6.998 4.735 ( 8.688 -2.364 -0.802) 9.039 4.988 ( -0.251 -3.238 2.743) 4.251 4.997 ( -0.062 1.321 2.207) 2.573 5.305 ( -2.454 0.133 5.485) 6.011 5.355 ( -1.848 -2.021 9.159) 9.559 5.421 ( 1.074 1.686 11.279) 11.454 5.492 ( 1.500 0.282 8.449) 8.586 5.557 ( -4.126 -0.165 -5.404) 6.801 5.659 ( -2.434 -7.096 -3.281) 8.188 5.952 ( -2.161 6.196 1.804) 6.805 6.175 ( 2.828 1.705 -2.749) 4.297 6.211 ( -3.625 0.303 2.067) 4.184 6.295 ( -1.568 -3.436 -0.895) 3.882 6.486 ( -1.920 -4.197 -2.005) 5.032 6.537 ( -0.756 -0.079 2.877) 2.975 6.651 ( -0.643 -5.162 -2.216) 5.654 6.710 ( -1.585 -2.686 2.194) 3.813 6.944 ( 4.860 3.750 -5.138) 8.005 6.983 ( -1.597 2.527 0.487) 3.029 7.150 ( -1.053 6.948 0.616) 7.054 7.184 ( 6.899 2.034 -16.362) 17.873 7.448 ( -6.165 0.528 5.650) 8.379 7.467 ( -6.860 0.308 5.845) 9.017 7.685 ( -7.855 -0.440 0.410) 7.878 7.717 ( -10.943 -0.839 -1.038) 11.024 8.270 ( -0.957 2.137 10.237) 10.502 8.328 ( -3.270 0.414 3.292) 4.659 8.742 ( -1.169 1.078 3.377) 3.733 8.870 ( 2.535 -4.345 7.448) 8.987 9.088 ( 2.326 7.883 4.322) 9.286 9.379 ( -0.158 -3.215 1.002) 3.371 9.788 ( -3.875 -2.200 2.472) 5.095 9.809 ( -3.237 -4.720 4.029) 6.999 10.041 ( -5.864 4.319 3.259) 7.979 10.128 ( -5.910 0.096 1.902) 6.209 12.895 ( 2.198 2.126 -1.849) 3.574 12.995 ( 2.349 0.677 -5.057) 5.617 13.012 ( 1.813 -2.480 -2.519) 3.972 13.045 ( 1.205 -1.241 -0.158) 1.737 14.171 ( -1.767 5.045 2.139) 5.758 14.493 ( -1.347 -9.243 -0.354) 9.347 15.018 ( 1.577 10.293 -3.515) 10.990 15.391 ( 5.547 -5.914 -9.869) 12.773 16.717 ( -2.283 1.578 14.820) 15.078 16.796 ( -2.802 -1.555 17.374) 17.667 17.681 ( 6.149 3.857 -4.980) 8.802 17.853 ( 5.152 -2.946 -3.281) 6.781 20.178 ( -13.716 3.726 33.063) 35.988 20.402 ( -13.576 -5.333 34.330) 37.300 21.473 ( -2.316 7.819 -0.023) 8.155 21.827 ( 0.105 -6.283 -4.509) 7.734 ======================= Grid point 148 (83/138) ======================= q-point: (-0.56 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -9.025 6.261 0.223) 10.987 2.063 ( -4.716 1.328 -3.224) 5.865 2.151 ( -10.459 6.551 0.429) 12.349 2.287 ( -8.675 3.822 -2.127) 9.716 2.484 ( -4.291 -3.003 8.449) 9.941 2.575 ( -5.939 -7.124 3.180) 9.805 2.656 ( -6.465 3.305 10.277) 12.583 2.915 ( 10.222 2.296 4.921) 11.575 2.979 ( -8.337 1.134 -11.863) 14.544 3.112 ( 0.447 5.293 -0.326) 5.322 3.260 ( 2.688 -4.150 1.915) 5.303 3.413 ( -5.114 -0.746 -4.806) 7.057 3.559 ( 2.263 -5.051 -0.858) 5.601 3.668 ( 1.906 1.871 -7.437) 7.902 3.799 ( 5.946 2.426 -4.377) 7.772 3.859 ( -9.011 -0.386 -7.982) 12.044 4.044 ( 1.025 -11.461 -0.963) 11.547 4.192 ( 3.215 -8.345 4.773) 10.137 4.287 ( 1.091 6.292 -7.874) 10.138 4.569 ( -2.370 1.386 1.377) 3.071 4.716 ( 4.563 4.920 4.285) 7.961 4.870 ( 7.964 -2.742 -5.630) 10.131 4.995 ( -1.848 -0.054 2.216) 2.886 5.031 ( 1.540 -1.507 3.149) 3.816 5.323 ( -1.685 0.779 7.954) 8.167 5.401 ( -1.018 -3.170 8.604) 9.226 5.468 ( 0.536 -0.323 -0.062) 0.629 5.527 ( -2.655 -0.521 5.700) 6.309 5.570 ( 1.764 2.178 9.841) 10.232 5.675 ( 2.925 -5.064 5.079) 7.746 5.959 ( 0.876 5.164 3.202) 6.139 6.137 ( -4.009 -0.277 0.619) 4.066 6.218 ( 0.891 -1.438 0.055) 1.693 6.255 ( -2.626 -3.912 -0.185) 4.715 6.426 ( -1.909 -0.634 -2.537) 3.238 6.512 ( -2.842 -1.928 -0.597) 3.486 6.616 ( -1.485 -2.401 -2.122) 3.532 6.660 ( -5.641 -1.514 0.396) 5.853 6.910 ( -2.087 2.945 -5.609) 6.670 6.969 ( 1.072 2.392 -3.144) 4.093 7.124 ( -1.929 5.832 -0.524) 6.165 7.180 ( 6.678 0.713 -14.407) 15.896 7.378 ( -4.701 2.348 4.141) 6.690 7.426 ( -1.267 0.070 2.014) 2.380 7.585 ( -4.289 0.154 2.573) 5.004 7.615 ( -3.095 -0.256 4.675) 5.613 8.360 ( 1.408 -0.011 9.382) 9.488 8.365 ( 3.382 -0.197 5.791) 6.709 8.770 ( 0.543 3.568 4.681) 5.911 8.954 ( 0.478 -4.150 6.790) 7.972 9.148 ( 0.850 6.278 4.396) 7.711 9.370 ( -1.930 -1.431 2.235) 3.281 9.741 ( -3.208 -2.470 2.359) 4.686 9.768 ( -4.064 -4.852 2.422) 6.777 9.956 ( -6.286 3.701 2.039) 7.574 10.036 ( -5.090 -0.307 -0.471) 5.121 12.933 ( 3.360 1.942 -1.301) 4.093 12.992 ( 1.671 0.776 -4.641) 4.993 13.030 ( 2.969 -1.596 -3.194) 4.644 13.063 ( 0.549 -1.618 0.829) 1.900 14.186 ( 0.540 4.422 4.142) 6.083 14.474 ( -0.848 -8.301 0.250) 8.348 14.963 ( -3.535 9.806 -5.517) 11.794 15.334 ( -1.783 -6.209 -12.338) 13.927 16.782 ( -3.858 1.840 14.542) 15.157 16.871 ( -4.423 -1.665 16.792) 17.445 17.742 ( 4.841 3.785 -4.630) 7.694 17.911 ( 4.002 -2.917 -2.926) 5.752 20.224 ( -10.729 4.559 32.869) 34.875 20.508 ( -6.628 -7.184 36.413) 37.702 21.460 ( 0.776 9.595 0.719) 9.653 21.861 ( 6.636 -6.749 -2.146) 9.705 ======================= Grid point 149 (84/138) ======================= q-point: (-0.44 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -11.019 3.034 4.035) 12.121 1.830 ( -18.385 4.208 -1.021) 18.888 1.985 ( -6.381 -0.452 -0.593) 6.424 2.148 ( -8.412 1.438 3.231) 9.125 2.456 ( -3.566 -1.440 6.195) 7.292 2.486 ( -3.936 -2.276 5.433) 7.085 2.609 ( -6.232 4.021 2.035) 7.691 2.786 ( -1.188 0.951 -4.543) 4.791 2.957 ( -9.782 8.899 -2.762) 13.509 3.122 ( 4.490 -0.464 3.512) 5.719 3.278 ( -1.887 -5.255 -11.978) 13.216 3.378 ( 4.133 -2.903 5.027) 7.126 3.534 ( -13.481 2.713 3.215) 14.122 3.687 ( 6.385 -1.654 -8.563) 10.808 3.763 ( 7.010 3.104 1.080) 7.742 3.861 ( 5.407 2.649 -6.037) 8.527 4.072 ( 2.212 -7.006 -2.550) 7.777 4.201 ( -1.112 -7.024 2.625) 7.581 4.296 ( 0.333 0.685 0.255) 0.803 4.538 ( -2.781 -1.198 1.003) 3.190 4.776 ( 1.026 0.581 -2.859) 3.092 4.891 ( 0.386 -4.044 -9.643) 10.463 4.996 ( 1.244 2.980 1.968) 3.782 5.072 ( 0.538 -0.881 1.328) 1.682 5.355 ( -2.788 -0.111 8.613) 9.053 5.433 ( -3.625 -3.495 8.642) 10.002 5.511 ( 0.321 0.562 3.962) 4.014 5.564 ( 3.993 -1.722 6.753) 8.032 5.674 ( 0.125 3.606 10.890) 11.472 5.784 ( 3.899 -4.030 3.652) 6.691 6.019 ( 1.345 2.674 3.976) 4.977 6.091 ( -0.631 -1.803 2.226) 2.933 6.176 ( -3.475 -3.835 -0.250) 5.181 6.231 ( -1.435 -6.961 1.352) 7.235 6.373 ( -5.242 2.187 0.474) 5.700 6.453 ( -2.210 -1.473 -2.015) 3.334 6.533 ( -2.396 2.786 -1.229) 3.874 6.616 ( 1.231 0.175 -1.634) 2.053 6.873 ( 3.256 0.627 -5.375) 6.316 6.953 ( 1.026 1.110 -5.740) 5.936 7.086 ( -0.265 4.718 -0.864) 4.804 7.194 ( 5.354 -0.762 -9.790) 11.185 7.390 ( 2.655 4.342 2.047) 5.485 7.430 ( 1.248 3.224 -0.675) 3.523 7.582 ( -0.378 0.395 4.907) 4.937 7.622 ( -1.373 0.635 5.913) 6.103 8.426 ( -1.410 0.730 5.545) 5.768 8.530 ( 9.312 -3.112 5.639) 11.323 8.839 ( 2.401 3.980 6.509) 7.998 8.994 ( -1.860 -2.380 6.641) 7.296 9.190 ( -0.089 3.834 4.128) 5.635 9.346 ( -2.916 -0.505 1.136) 3.170 9.708 ( -4.626 -3.536 3.531) 6.809 9.721 ( -2.197 -3.232 2.276) 4.523 9.883 ( -2.275 2.763 2.168) 4.184 9.946 ( -4.176 -0.273 -0.472) 4.211 12.976 ( 2.048 0.735 -3.549) 4.163 12.983 ( 1.697 0.960 -3.056) 3.625 13.067 ( 3.708 -0.764 -1.970) 4.268 13.091 ( 3.085 -0.981 -0.492) 3.275 14.243 ( 0.614 3.230 6.541) 7.321 14.461 ( -1.724 -6.630 1.824) 7.089 14.814 ( -7.963 8.364 -5.918) 12.977 15.139 ( -8.425 -5.755 -14.236) 17.515 16.803 ( -6.695 1.982 14.100) 15.734 16.901 ( -7.022 -1.894 16.275) 17.826 17.772 ( 2.689 3.890 -4.743) 6.698 17.942 ( 1.997 -2.923 -2.911) 4.583 20.312 ( -8.991 6.371 32.402) 34.224 20.731 ( -0.641 -12.089 34.674) 36.726 21.524 ( 6.049 13.851 1.172) 15.160 22.014 ( 12.931 -7.461 -3.968) 15.448 ======================= Grid point 150 (85/138) ======================= q-point: (-0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -16.021 5.373 8.237) 18.799 1.639 ( -11.026 2.081 13.349) 17.438 1.838 ( -8.567 -6.358 -1.398) 10.760 2.041 ( -7.985 -7.731 9.008) 14.306 2.435 ( -3.639 12.398 -1.509) 13.008 2.558 ( 4.503 7.320 6.054) 10.513 2.603 ( 1.313 0.039 13.011) 13.078 2.756 ( -6.844 6.330 -3.302) 9.891 2.827 ( 2.901 -1.493 4.822) 5.822 3.163 ( 0.257 -7.150 -12.951) 14.795 3.205 ( 1.726 1.123 7.593) 7.867 3.279 ( -15.148 5.428 1.768) 16.188 3.472 ( 3.177 1.182 2.812) 4.404 3.752 ( 5.954 -1.084 -5.762) 8.356 3.862 ( 1.050 2.025 -7.485) 7.825 3.899 ( 2.999 -5.446 4.070) 7.431 4.093 ( 4.974 -3.035 -5.185) 7.800 4.221 ( -0.655 -8.652 4.593) 9.818 4.290 ( -0.328 2.319 -1.414) 2.736 4.478 ( -4.195 -2.433 -0.228) 4.855 4.729 ( 0.306 -1.430 -10.357) 10.460 4.801 ( -1.725 -4.933 -5.964) 7.930 5.015 ( -0.865 3.203 1.454) 3.623 5.065 ( -1.697 0.054 0.013) 1.697 5.349 ( -4.897 -0.756 7.375) 8.885 5.423 ( -3.358 -3.469 4.693) 6.733 5.524 ( -4.209 2.163 6.195) 7.795 5.695 ( 4.197 3.387 3.865) 6.636 5.742 ( -1.901 -7.236 7.139) 10.341 5.872 ( 5.691 -2.576 3.324) 7.076 6.023 ( -1.003 2.447 -0.493) 2.690 6.137 ( -2.583 -4.064 1.445) 5.028 6.161 ( -0.002 -3.377 1.740) 3.799 6.246 ( 2.204 -4.003 2.921) 5.424 6.296 ( -0.068 3.311 4.152) 5.311 6.424 ( 0.475 -3.124 2.982) 4.344 6.544 ( 1.689 4.463 2.377) 5.331 6.667 ( 4.344 -0.293 1.418) 4.579 6.869 ( 0.992 2.750 -8.694) 9.172 6.936 ( 4.910 0.694 -11.824) 12.822 7.138 ( 5.035 -0.520 2.647) 5.712 7.214 ( 3.494 -1.642 -4.900) 6.238 7.426 ( 1.802 6.846 1.002) 7.149 7.519 ( 6.321 4.957 1.279) 8.134 7.617 ( -1.013 0.761 5.277) 5.427 7.667 ( 3.015 0.907 3.921) 5.029 8.401 ( -4.037 5.256 1.776) 6.861 8.720 ( 6.632 -7.077 2.154) 9.935 8.941 ( 2.881 2.968 3.691) 5.543 9.004 ( -2.908 0.530 8.069) 8.593 9.202 ( -1.686 0.202 1.654) 2.371 9.249 ( -7.462 0.162 -3.194) 8.119 9.666 ( -3.335 -2.108 6.747) 7.816 9.718 ( -0.797 -3.651 4.819) 6.098 9.920 ( 2.051 1.648 3.723) 4.559 9.935 ( 3.259 1.408 4.525) 5.751 12.958 ( 1.149 0.521 -5.619) 5.759 12.985 ( 0.353 -0.316 -2.619) 2.661 13.137 ( 5.305 0.470 -0.654) 5.366 13.170 ( 6.860 -0.438 -2.289) 7.245 14.292 ( -1.692 2.193 6.701) 7.251 14.432 ( -4.425 -4.107 3.671) 7.066 14.614 ( -9.330 5.183 -3.243) 11.154 14.825 ( -13.904 -3.973 -13.433) 19.737 16.773 ( -9.096 2.115 13.937) 16.777 16.883 ( -9.381 -2.212 15.899) 18.593 17.762 ( 0.769 4.059 -5.229) 6.664 17.935 ( 0.111 -2.991 -3.323) 4.472 20.407 ( -9.273 8.779 31.379) 33.878 20.994 ( 1.473 -17.824 26.569) 32.027 21.705 ( 13.422 16.650 1.051) 21.412 22.224 ( 15.966 -7.450 -9.426) 19.981 ======================= Grid point 151 (86/138) ======================= q-point: (-0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -4.074 6.933 19.495) 21.088 1.570 ( -12.237 1.547 20.313) 23.765 1.705 ( -5.736 -5.902 1.562) 8.377 2.026 ( -4.490 -13.372 11.721) 18.340 2.359 ( -3.294 12.072 -0.860) 12.543 2.551 ( -10.163 6.028 9.004) 14.856 2.664 ( -1.901 11.373 7.422) 13.713 2.792 ( 2.395 7.435 11.728) 14.092 2.920 ( -2.198 1.115 -5.276) 5.823 3.064 ( -6.950 2.183 -0.422) 7.297 3.168 ( 10.308 -8.749 -0.320) 13.524 3.357 ( 8.655 1.094 9.032) 12.557 3.575 ( 6.137 -1.673 4.189) 7.616 3.739 ( -6.370 -7.568 2.915) 10.312 3.833 ( 7.857 5.646 -14.179) 17.166 3.942 ( -1.471 -7.490 5.095) 9.178 4.159 ( 4.713 -2.538 -3.003) 6.138 4.223 ( 0.461 -0.137 -6.077) 6.096 4.274 ( -0.352 -3.928 0.580) 3.986 4.401 ( -2.440 -3.702 -2.881) 5.287 4.665 ( 2.405 -1.154 -9.655) 10.017 4.752 ( 0.169 -6.177 -3.549) 7.126 5.012 ( -0.985 3.475 2.446) 4.362 5.030 ( -1.151 1.566 -0.962) 2.168 5.314 ( -4.873 -0.746 6.493) 8.152 5.389 ( -3.367 -2.093 2.351) 4.610 5.470 ( -6.377 1.124 5.111) 8.249 5.707 ( -4.515 -8.091 3.682) 9.970 5.794 ( 3.529 2.793 -0.041) 4.501 5.952 ( -3.257 -1.024 3.590) 4.954 6.016 ( -0.812 -1.795 -3.610) 4.112 6.046 ( -1.013 2.063 -2.166) 3.158 6.169 ( 0.981 -2.294 0.308) 2.514 6.260 ( 0.523 -1.833 1.113) 2.207 6.472 ( 5.367 2.864 6.696) 9.046 6.503 ( 4.967 -2.942 5.753) 8.150 6.651 ( 5.281 -0.141 7.422) 9.110 6.769 ( 3.435 -1.636 2.747) 4.693 6.809 ( 2.338 1.842 -8.284) 8.803 6.908 ( 5.166 0.219 -16.620) 17.405 7.229 ( 2.737 -0.811 -4.125) 5.017 7.259 ( 3.470 -3.720 5.889) 7.782 7.500 ( 2.987 7.821 4.944) 9.722 7.628 ( 0.623 2.382 4.307) 4.961 7.640 ( 5.216 2.815 1.878) 6.217 7.781 ( 6.023 -0.178 1.204) 6.144 8.339 ( -4.070 8.902 1.747) 9.943 8.751 ( -3.796 -8.875 -1.609) 9.786 8.924 ( -4.369 1.579 -1.698) 4.946 8.998 ( -7.814 0.302 -3.767) 8.680 9.069 ( -3.104 4.366 6.333) 8.295 9.212 ( -0.713 -0.558 1.592) 1.832 9.714 ( 0.285 -1.827 10.033) 10.202 9.773 ( 1.628 -3.191 5.288) 6.387 10.037 ( 5.308 1.892 6.300) 8.452 10.070 ( 6.431 1.465 6.530) 9.281 12.933 ( 1.347 0.392 -5.940) 6.104 12.964 ( 0.216 -0.865 -3.310) 3.428 13.230 ( 5.322 0.998 -1.518) 5.624 13.266 ( 6.481 -0.135 -6.047) 8.865 14.258 ( -5.726 2.085 3.221) 6.892 14.363 ( -6.885 -2.555 2.724) 7.833 14.465 ( -7.604 1.990 0.064) 7.860 14.541 ( -7.285 -1.230 1.995) 7.653 16.710 ( -10.402 2.197 13.853) 17.462 16.830 ( -10.625 -2.512 15.688) 19.113 17.720 ( -0.302 4.242 -6.050) 7.395 17.896 ( -1.103 -3.022 -4.148) 5.249 20.467 ( -11.964 10.826 29.993) 34.058 21.165 ( -1.859 -18.392 16.924) 25.063 21.950 ( 13.384 12.264 -6.571) 19.305 22.391 ( 13.555 -6.841 -16.325) 22.295 ======================= Grid point 152 (87/138) ======================= q-point: (-0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -5.943 7.847 16.624) 19.320 1.549 ( -6.837 -0.298 24.796) 25.723 1.675 ( -0.967 -2.861 5.100) 5.927 2.025 ( -4.935 -12.193 10.866) 17.061 2.310 ( -4.469 9.196 4.485) 11.165 2.539 ( -3.508 3.365 12.439) 13.355 2.596 ( -7.957 7.708 -1.986) 11.255 2.707 ( -10.090 12.516 3.408) 16.434 2.880 ( -4.618 11.161 11.889) 16.948 3.129 ( 9.562 -5.231 6.755) 12.823 3.331 ( 7.308 -11.459 -5.506) 14.664 3.578 ( 5.117 -1.150 4.808) 7.115 3.679 ( 0.015 -8.758 5.753) 10.479 3.773 ( 8.852 1.183 0.369) 8.938 3.844 ( 4.783 2.458 -10.288) 11.609 3.982 ( 1.047 -4.080 7.439) 8.548 4.121 ( -2.701 -0.663 -3.266) 4.290 4.202 ( -4.981 -3.517 -0.434) 6.113 4.286 ( 8.719 -1.023 -6.290) 10.800 4.394 ( 4.553 -6.701 -3.682) 8.898 4.652 ( 1.814 -0.142 -5.172) 5.483 4.744 ( 2.542 -6.027 -5.564) 8.587 4.990 ( -1.760 3.665 -0.167) 4.069 5.041 ( 1.293 2.556 1.141) 3.084 5.286 ( -3.371 -1.241 3.994) 5.372 5.359 ( -2.571 -2.260 3.670) 5.019 5.388 ( -7.628 1.291 5.436) 9.456 5.604 ( -10.994 -8.533 3.891) 14.451 5.832 ( 1.678 4.110 -1.111) 4.576 5.902 ( -1.434 1.471 -0.463) 2.106 5.944 ( -0.964 5.095 -1.484) 5.393 6.083 ( 3.731 -4.299 -3.233) 6.546 6.192 ( 1.391 -2.245 0.436) 2.677 6.267 ( -0.502 -2.055 0.190) 2.124 6.541 ( 0.438 4.127 2.989) 5.114 6.638 ( 2.940 -3.109 2.026) 4.734 6.677 ( -3.198 -0.631 0.235) 3.269 6.779 ( -1.820 -4.277 -7.816) 9.094 6.856 ( 8.636 0.797 -7.429) 11.419 6.953 ( 8.605 0.716 -4.277) 9.636 7.221 ( -0.516 2.193 -3.092) 3.826 7.357 ( 1.197 -4.609 6.013) 7.671 7.584 ( 0.803 4.508 5.858) 7.435 7.667 ( 0.914 1.555 5.878) 6.149 7.803 ( 9.573 1.755 1.353) 9.826 7.862 ( 2.723 -0.817 0.489) 2.885 8.292 ( -3.558 10.020 3.167) 11.094 8.591 ( -8.681 -3.305 -1.922) 9.485 8.818 ( -5.878 2.230 1.076) 6.378 8.908 ( 0.238 -1.236 0.238) 1.281 9.071 ( -2.982 2.156 3.267) 4.921 9.184 ( -3.533 -0.286 -0.730) 3.619 9.789 ( -0.749 -2.371 8.472) 8.829 9.831 ( -0.083 -2.725 4.882) 5.592 10.156 ( 2.401 2.963 5.522) 6.711 10.226 ( 4.094 0.324 5.930) 7.213 12.920 ( 2.611 0.218 -5.805) 6.369 12.947 ( 0.939 -0.952 -3.208) 3.475 13.238 ( -0.794 0.566 -9.243) 9.295 13.263 ( -0.987 0.453 -7.005) 7.089 14.261 ( 2.726 1.414 7.646) 8.240 14.313 ( 3.452 -1.307 3.913) 5.379 14.414 ( -2.900 2.866 7.274) 8.339 14.525 ( -1.142 -1.971 6.959) 7.322 16.633 ( -10.401 2.344 13.760) 17.407 16.767 ( -10.387 -2.894 15.561) 18.931 17.663 ( -0.168 4.369 -6.892) 8.162 17.836 ( -1.277 -2.862 -5.050) 5.943 20.452 ( -16.240 11.190 29.050) 35.112 21.189 ( -9.601 -19.485 13.441) 25.545 21.970 ( -1.187 12.415 -15.818) 20.143 22.421 ( 6.544 -7.025 -20.905) 23.004 ======================= Grid point 153 (88/138) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -0.556 -5.679 17.239) 18.159 1.686 ( -0.556 5.679 17.239) 18.159 1.803 ( 0.469 -9.571 15.155) 17.931 1.803 ( 0.469 9.571 15.155) 17.931 2.288 ( -10.870 -3.199 -2.594) 11.624 2.288 ( -10.870 3.199 -2.594) 11.624 2.829 ( 1.483 -4.629 2.083) 5.289 2.829 ( 1.483 4.629 2.083) 5.289 3.179 ( -0.917 -7.351 11.864) 13.987 3.179 ( -0.917 7.351 11.864) 13.987 3.373 ( 2.898 -8.418 5.006) 10.214 3.373 ( 2.898 8.418 5.006) 10.214 3.763 ( 0.926 -8.348 2.736) 8.834 3.763 ( 0.926 8.348 2.736) 8.834 3.889 ( -1.330 -5.353 -6.486) 8.514 3.889 ( -1.330 5.353 -6.486) 8.514 4.115 ( -0.258 -3.991 0.811) 4.080 4.115 ( -0.258 3.991 0.811) 4.080 4.431 ( 11.069 -2.553 -6.144) 12.914 4.431 ( 11.069 2.553 -6.144) 12.914 4.646 ( 0.554 -2.502 -4.777) 5.421 4.646 ( 0.554 2.502 -4.777) 5.421 5.047 ( -0.170 -3.116 0.272) 3.133 5.047 ( -0.170 3.116 0.272) 3.133 5.258 ( -4.190 -1.554 3.217) 5.506 5.258 ( -4.190 1.554 3.217) 5.506 5.377 ( -6.426 -2.671 7.231) 10.036 5.377 ( -6.426 2.671 7.231) 10.036 5.901 ( 0.620 -2.065 -1.574) 2.669 5.901 ( 0.620 2.065 -1.574) 2.669 6.018 ( 0.650 -4.459 -1.550) 4.765 6.018 ( 0.650 4.459 -1.550) 4.765 6.226 ( 2.170 -2.481 -0.249) 3.305 6.226 ( 2.170 2.481 -0.249) 3.305 6.560 ( -5.849 -1.056 -1.470) 6.123 6.560 ( -5.849 1.056 -1.470) 6.123 6.654 ( 0.704 -3.108 3.608) 4.814 6.654 ( 0.704 3.108 3.608) 4.814 6.971 ( 6.027 -3.233 -15.216) 16.683 6.971 ( 6.027 3.233 -15.216) 16.683 7.306 ( -1.887 -5.283 3.032) 6.377 7.306 ( -1.887 5.283 3.032) 6.377 7.666 ( -3.878 -2.743 4.262) 6.382 7.666 ( -3.878 2.743 4.262) 6.382 7.942 ( 4.567 -1.937 4.047) 6.403 7.942 ( 4.567 1.937 4.047) 6.403 8.432 ( -3.133 -6.349 2.291) 7.442 8.432 ( -3.133 6.349 2.291) 7.442 8.882 ( 2.771 -6.788 2.803) 7.849 8.882 ( 2.771 6.788 2.803) 7.849 9.033 ( -7.119 -1.601 -1.825) 7.521 9.033 ( -7.119 1.601 -1.825) 7.521 9.799 ( -2.639 -1.014 6.460) 7.052 9.799 ( -2.639 1.014 6.460) 7.052 10.264 ( -1.730 -2.302 4.932) 5.711 10.264 ( -1.730 2.302 4.932) 5.711 12.937 ( 2.923 -0.397 -4.274) 5.193 12.937 ( 2.923 0.397 -4.274) 5.193 13.134 ( -3.807 -1.588 -8.419) 9.375 13.134 ( -3.807 1.588 -8.419) 9.375 14.400 ( -1.446 -2.602 7.637) 8.197 14.400 ( -1.446 2.602 7.637) 8.197 14.603 ( 13.758 -1.124 4.170) 14.420 14.603 ( 13.758 1.124 4.170) 14.420 16.642 ( -8.830 -3.829 14.946) 17.777 16.642 ( -8.830 3.829 14.946) 17.777 17.708 ( 0.579 -4.508 -6.349) 7.808 17.708 ( 0.579 4.508 -6.349) 7.808 20.637 ( -21.840 -17.008 25.085) 37.356 20.637 ( -21.840 17.008 25.085) 37.356 22.079 ( -2.389 -13.949 -18.337) 23.163 22.079 ( -2.389 13.949 -18.337) 23.163 ======================= Grid point 155 (89/138) ======================= q-point: ( 0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 4.640 -6.962 17.300) 19.217 1.854 ( 4.640 6.962 17.300) 19.217 1.983 ( 4.938 -9.056 12.522) 16.223 1.983 ( 4.938 9.056 12.522) 16.223 2.154 ( -1.395 -2.656 2.465) 3.882 2.154 ( -1.395 2.656 2.465) 3.882 2.861 ( -0.843 -4.907 2.175) 5.433 2.861 ( -0.843 4.907 2.175) 5.433 3.205 ( -4.157 -10.207 6.821) 12.961 3.205 ( -4.157 10.207 6.821) 12.961 3.444 ( 3.327 -8.879 -0.383) 9.489 3.444 ( 3.327 8.879 -0.383) 9.489 3.714 ( -4.698 -3.134 -6.000) 8.240 3.714 ( -4.698 3.134 -6.000) 8.240 3.889 ( -0.313 -8.356 4.724) 9.603 3.889 ( -0.313 8.356 4.724) 9.603 4.110 ( 1.160 -6.300 0.499) 6.425 4.110 ( 1.160 6.300 0.499) 6.425 4.512 ( 4.020 -2.817 -9.358) 10.567 4.512 ( 4.020 2.817 -9.358) 10.567 4.632 ( 2.535 -2.823 -4.300) 5.734 4.632 ( 2.535 2.823 -4.300) 5.734 5.030 ( -2.222 -2.206 0.032) 3.131 5.030 ( -2.222 2.206 0.032) 3.131 5.247 ( -0.442 -1.904 6.669) 6.950 5.247 ( -0.442 1.904 6.669) 6.950 5.342 ( -4.427 -1.408 7.131) 8.511 5.342 ( -4.427 1.408 7.131) 8.511 5.849 ( -3.374 -1.715 -5.842) 6.961 5.849 ( -3.374 1.715 -5.842) 6.961 6.045 ( 1.426 -4.269 2.856) 5.331 6.045 ( 1.426 4.269 2.856) 5.331 6.269 ( 2.750 -2.550 -1.304) 3.970 6.269 ( 2.750 2.550 -1.304) 3.970 6.479 ( -2.722 -1.493 1.758) 3.568 6.479 ( -2.722 1.493 1.758) 3.568 6.682 ( -0.633 -4.338 2.075) 4.851 6.682 ( -0.633 4.338 2.075) 4.851 6.929 ( 3.408 -1.370 -12.868) 13.382 6.929 ( 3.408 1.370 -12.868) 13.382 7.279 ( -1.504 -3.508 -0.522) 3.852 7.279 ( -1.504 3.508 -0.522) 3.852 7.609 ( -5.802 -2.326 4.098) 7.474 7.609 ( -5.802 2.326 4.098) 7.474 8.007 ( -1.115 -2.123 1.123) 2.648 8.007 ( -1.115 2.123 1.123) 2.648 8.387 ( -5.608 -7.829 5.954) 11.322 8.387 ( -5.608 7.829 5.954) 11.322 8.831 ( -8.179 -2.869 0.051) 8.668 8.831 ( -8.179 2.869 0.051) 8.668 9.049 ( 7.628 -8.768 1.668) 11.741 9.049 ( 7.628 8.768 1.668) 11.741 9.800 ( -2.895 -0.837 6.192) 6.886 9.800 ( -2.895 0.837 6.192) 6.886 10.243 ( -4.769 -2.351 5.053) 7.335 10.243 ( -4.769 2.351 5.053) 7.335 12.953 ( 1.711 -0.592 -3.058) 3.554 12.953 ( 1.711 0.592 -3.058) 3.554 13.029 ( -0.618 -2.031 -6.816) 7.139 13.029 ( -0.618 2.031 -6.816) 7.139 14.390 ( -4.058 -6.295 4.446) 8.710 14.390 ( -4.058 6.295 4.446) 8.710 14.911 ( 16.482 -5.831 0.619) 17.494 14.911 ( 16.482 5.831 0.619) 17.494 16.630 ( -6.037 -3.088 15.567) 16.980 16.630 ( -6.037 3.088 15.567) 16.980 17.687 ( 2.787 -4.583 -5.958) 8.017 17.687 ( 2.787 4.583 -5.958) 8.017 20.444 ( -22.767 -11.566 27.951) 37.860 20.444 ( -22.767 11.566 27.951) 37.860 21.892 ( -4.622 -13.065 -12.025) 18.349 21.892 ( -4.622 13.065 -12.025) 18.349 ======================= Grid point 157 (90/138) ======================= q-point: ( 0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.279 -5.286 8.935) 10.629 2.045 ( 2.279 5.286 8.935) 10.629 2.159 ( 6.862 -6.383 11.661) 14.960 2.159 ( 6.862 6.383 11.661) 14.960 2.311 ( 11.019 -5.695 8.111) 14.820 2.311 ( 11.019 5.695 8.111) 14.820 2.805 ( -7.126 -4.490 1.553) 8.564 2.805 ( -7.126 4.490 1.553) 8.564 3.165 ( -3.284 -13.358 -0.137) 13.756 3.165 ( -3.284 13.358 -0.137) 13.756 3.497 ( 0.201 -14.008 0.905) 14.039 3.497 ( 0.201 14.008 0.905) 14.039 3.588 ( -3.435 -2.771 -0.840) 4.493 3.588 ( -3.435 2.771 -0.840) 4.493 3.838 ( -1.427 -1.072 -7.478) 7.688 3.838 ( -1.427 1.072 -7.478) 7.688 4.164 ( -0.094 -7.397 0.312) 7.404 4.164 ( -0.094 7.397 0.312) 7.404 4.494 ( 2.758 -0.966 -4.402) 5.284 4.494 ( 2.758 0.966 -4.402) 5.284 4.642 ( 2.876 -2.953 -5.523) 6.892 4.642 ( 2.876 2.953 -5.523) 6.892 4.991 ( -2.359 -0.918 1.594) 2.992 4.991 ( -2.359 0.918 1.594) 2.992 5.310 ( -0.900 -1.021 4.694) 4.887 5.310 ( -0.900 1.021 4.694) 4.887 5.351 ( -0.302 -2.337 11.494) 11.733 5.351 ( -0.302 2.337 11.494) 11.733 5.709 ( -5.938 -2.251 -6.959) 9.422 5.709 ( -5.938 2.251 -6.959) 9.422 6.091 ( 0.736 -6.598 3.056) 7.309 6.091 ( 0.736 6.598 3.056) 7.309 6.271 ( -0.972 -1.700 -1.975) 2.781 6.271 ( -0.972 1.700 -1.975) 2.781 6.491 ( 1.101 -3.606 1.369) 4.012 6.491 ( 1.101 3.606 1.369) 4.012 6.658 ( -2.165 -4.176 0.190) 4.708 6.658 ( -2.165 4.176 0.190) 4.708 6.936 ( 5.014 -2.512 -4.209) 7.012 6.936 ( 5.014 2.512 -4.209) 7.012 7.254 ( 0.691 -1.102 -4.673) 4.851 7.254 ( 0.691 1.102 -4.673) 4.851 7.537 ( -6.621 -1.260 5.582) 8.752 7.537 ( -6.621 1.260 5.582) 8.752 7.894 ( -10.052 -2.204 -2.479) 10.585 7.894 ( -10.052 2.204 -2.479) 10.585 8.339 ( -5.499 -5.977 6.805) 10.596 8.339 ( -5.499 5.977 6.805) 10.596 8.749 ( -2.238 -1.303 3.787) 4.588 8.749 ( -2.238 1.303 3.787) 4.588 9.185 ( 5.585 -9.535 1.371) 11.135 9.185 ( 5.585 9.535 1.371) 11.135 9.791 ( -3.436 -0.555 5.278) 6.323 9.791 ( -3.436 0.555 5.278) 6.323 10.186 ( -5.823 -2.437 4.341) 7.661 10.186 ( -5.823 2.437 4.341) 7.661 12.944 ( 0.340 -2.887 -1.894) 3.469 12.944 ( 0.340 2.887 -1.894) 3.469 13.008 ( 2.571 -1.091 -5.062) 5.781 13.008 ( 2.571 1.091 -5.062) 5.781 14.345 ( -3.456 -8.034 1.841) 8.938 14.345 ( -3.456 8.034 1.841) 8.938 15.145 ( 10.777 -8.589 -3.585) 14.239 15.145 ( 10.777 8.589 -3.585) 14.239 16.675 ( -3.295 -2.123 16.135) 16.605 16.675 ( -3.295 2.123 16.135) 16.605 17.713 ( 4.937 -4.759 -4.978) 8.474 17.713 ( 4.937 4.759 -4.978) 8.474 20.308 ( -18.822 -7.339 31.308) 37.260 20.308 ( -18.822 7.339 31.308) 37.260 21.740 ( -4.044 -10.659 -6.313) 13.032 21.740 ( -4.044 10.659 -6.313) 13.032 ======================= Grid point 159 (91/138) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -1.376 -7.824 -0.379) 7.953 2.088 ( -1.376 7.824 -0.379) 7.953 2.316 ( -0.603 -7.652 9.661) 12.339 2.316 ( -0.603 7.652 9.661) 12.339 2.579 ( 6.577 -1.972 4.228) 8.063 2.579 ( 6.577 1.972 4.228) 8.063 2.682 ( -3.844 -6.623 5.285) 9.305 2.682 ( -3.844 6.623 5.285) 9.305 3.088 ( -3.588 -12.118 -1.572) 12.735 3.088 ( -3.588 12.118 -1.572) 12.735 3.443 ( -3.576 -13.022 -0.910) 13.535 3.443 ( -3.576 13.022 -0.910) 13.535 3.555 ( -1.718 -4.096 -2.775) 5.238 3.555 ( -1.718 4.096 -2.775) 5.238 3.847 ( 6.742 -5.312 -2.790) 9.025 3.847 ( 6.742 5.312 -2.790) 9.025 4.060 ( -5.261 -3.575 -8.240) 10.409 4.060 ( -5.261 3.575 -8.240) 10.409 4.510 ( 1.027 -7.823 -5.535) 9.638 4.510 ( 1.027 7.823 -5.535) 9.638 4.695 ( 5.909 -2.345 1.601) 6.556 4.695 ( 5.909 2.345 1.601) 6.556 4.981 ( -1.153 -2.204 3.393) 4.207 4.981 ( -1.153 2.204 3.393) 4.207 5.319 ( -2.002 -1.341 6.577) 7.004 5.319 ( -2.002 1.341 6.577) 7.004 5.472 ( 2.263 -2.894 11.713) 12.276 5.472 ( 2.263 2.894 11.713) 12.276 5.563 ( -4.196 -1.551 -5.471) 7.067 5.563 ( -4.196 1.551 -5.471) 7.067 6.107 ( -1.752 -8.361 2.675) 8.952 6.107 ( -1.752 8.361 2.675) 8.952 6.232 ( -1.431 -2.713 -1.545) 3.434 6.232 ( -1.431 2.713 -1.545) 3.434 6.488 ( -0.334 -3.931 -3.125) 5.033 6.488 ( -0.334 3.931 -3.125) 5.033 6.644 ( -1.148 -3.186 2.523) 4.223 6.644 ( -1.148 3.186 2.523) 4.223 6.999 ( 2.677 -1.481 -0.749) 3.150 6.999 ( 2.677 1.481 -0.749) 3.150 7.215 ( 1.391 -1.009 -9.549) 9.702 7.215 ( 1.391 1.009 -9.549) 9.702 7.467 ( -6.838 -0.730 6.906) 9.746 7.467 ( -6.838 0.730 6.906) 9.746 7.692 ( -9.298 -1.207 -0.597) 9.395 7.692 ( -9.298 1.207 -0.597) 9.395 8.316 ( -2.429 -1.767 6.375) 7.047 8.316 ( -2.429 1.767 6.375) 7.047 8.787 ( 1.253 -3.467 5.824) 6.893 8.787 ( 1.253 3.467 5.824) 6.893 9.260 ( 1.933 -8.232 1.484) 8.585 9.260 ( 1.933 8.232 1.484) 8.585 9.759 ( -4.436 -0.054 4.202) 6.110 9.759 ( -4.436 0.054 4.202) 6.110 10.109 ( -6.046 -2.188 2.619) 6.943 10.109 ( -6.046 2.188 2.619) 6.943 12.951 ( 1.963 -3.205 -1.632) 4.097 12.951 ( 1.963 3.205 -1.632) 4.097 13.016 ( 1.947 -1.394 -3.220) 4.013 13.016 ( 1.947 1.394 -3.220) 4.013 14.310 ( -1.630 -8.401 1.209) 8.643 14.310 ( -1.630 8.401 1.209) 8.643 15.228 ( 3.522 -9.849 -6.975) 12.572 15.228 ( 3.522 9.849 -6.975) 12.572 16.757 ( -2.470 -2.199 16.160) 16.495 16.757 ( -2.470 2.199 16.160) 16.495 17.773 ( 5.590 -4.729 -4.128) 8.406 17.773 ( 5.590 4.729 -4.128) 8.406 20.280 ( -13.654 -6.102 33.549) 36.731 20.280 ( -13.654 6.102 33.549) 36.731 21.660 ( -0.984 -9.663 -2.307) 9.983 21.660 ( -0.984 9.663 -2.307) 9.983 ======================= Grid point 161 (92/138) ======================= q-point: (-0.56 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -7.475 -8.017 -3.631) 11.547 1.991 ( -7.475 8.017 -3.631) 11.547 2.279 ( -10.339 -7.875 5.781) 14.224 2.279 ( -10.339 7.875 5.781) 14.224 2.475 ( -6.824 -5.739 -1.087) 8.983 2.475 ( -6.824 5.739 -1.087) 8.983 2.799 ( -1.241 -9.853 6.197) 11.705 2.799 ( -1.241 9.853 6.197) 11.705 3.095 ( 5.320 -7.714 0.671) 9.394 3.095 ( 5.320 7.714 0.671) 9.394 3.326 ( -6.096 -6.728 -6.280) 11.040 3.326 ( -6.096 6.728 -6.280) 11.040 3.559 ( 3.455 -7.420 -1.059) 8.253 3.559 ( 3.455 7.420 -1.059) 8.253 3.871 ( 0.979 -3.973 -7.100) 8.195 3.871 ( 0.979 3.973 -7.100) 8.195 3.999 ( 0.594 -10.229 2.664) 10.587 3.999 ( 0.594 10.229 2.664) 10.587 4.461 ( -0.495 -9.499 -5.628) 11.052 4.461 ( -0.495 9.499 -5.628) 11.052 4.814 ( 5.057 -3.418 -0.868) 6.165 4.814 ( 5.057 3.418 -0.868) 6.165 5.000 ( 0.487 -1.862 3.459) 3.959 5.000 ( 0.487 1.862 3.459) 3.959 5.350 ( -1.965 -2.012 9.428) 9.838 5.350 ( -1.965 2.012 9.428) 9.838 5.486 ( 0.264 -2.241 -3.170) 3.891 5.486 ( 0.264 2.241 -3.170) 3.891 5.611 ( 2.149 -1.909 12.161) 12.496 5.611 ( 2.149 1.909 12.161) 12.496 6.083 ( -2.734 -6.771 3.083) 7.927 6.083 ( -2.734 6.771 3.083) 7.927 6.187 ( -2.713 -2.130 -1.777) 3.880 6.187 ( -2.713 2.130 -1.777) 3.880 6.463 ( 0.207 -3.347 -2.528) 4.200 6.463 ( 0.207 3.347 -2.528) 4.200 6.618 ( -3.392 -2.046 0.604) 4.007 6.618 ( -3.392 2.046 0.604) 4.007 6.975 ( -2.310 -2.247 -3.570) 4.810 6.975 ( -2.310 2.247 -3.570) 4.810 7.183 ( 2.447 -0.809 -7.736) 8.154 7.183 ( 2.447 0.809 -7.736) 8.154 7.423 ( -1.827 -1.257 3.233) 3.921 7.423 ( -1.827 1.257 3.233) 3.921 7.598 ( -3.262 -1.159 4.000) 5.290 7.598 ( -3.262 1.159 4.000) 5.290 8.362 ( 1.494 -0.201 6.834) 6.999 8.362 ( 1.494 0.201 6.834) 6.999 8.860 ( 1.378 -4.946 5.846) 7.781 8.860 ( 1.378 4.946 5.846) 7.781 9.289 ( 0.011 -6.557 2.065) 6.875 9.289 ( 0.011 6.557 2.065) 6.875 9.711 ( -4.304 -0.382 3.739) 5.714 9.711 ( -4.304 0.382 3.739) 5.714 10.014 ( -6.100 -1.996 0.799) 6.468 10.014 ( -6.100 1.996 0.799) 6.468 12.981 ( 2.786 -2.384 -2.403) 4.384 12.981 ( 2.786 2.384 -2.403) 4.384 13.026 ( 1.690 -1.695 -1.797) 2.993 13.026 ( 1.690 1.695 -1.797) 2.993 14.310 ( -0.197 -7.496 2.526) 7.912 14.310 ( -0.197 7.496 2.526) 7.912 15.168 ( -2.835 -9.807 -9.235) 13.766 15.168 ( -2.835 9.807 -9.235) 13.766 16.828 ( -4.157 -2.447 15.716) 16.439 16.828 ( -4.157 2.447 15.716) 16.439 17.832 ( 4.432 -4.633 -3.760) 7.433 17.832 ( 4.432 4.633 -3.760) 7.433 20.351 ( -9.128 -7.611 34.325) 36.324 20.351 ( -9.128 7.611 34.325) 36.324 21.677 ( 4.403 -10.850 -0.570) 11.723 21.677 ( 4.403 10.850 -0.570) 11.723 ======================= Grid point 163 (93/138) ======================= q-point: (-0.44 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -12.820 -6.621 -1.465) 14.503 1.784 ( -12.820 6.621 -1.465) 14.503 2.075 ( -15.877 -7.653 5.378) 18.427 2.075 ( -15.877 7.653 5.378) 18.427 2.446 ( 2.792 -3.081 4.297) 5.980 2.446 ( 2.792 3.081 4.297) 5.980 2.758 ( -3.432 -6.408 -1.807) 7.490 2.758 ( -3.432 6.408 -1.807) 7.490 3.100 ( -5.182 -4.760 -5.388) 8.863 3.100 ( -5.182 4.760 -5.388) 8.863 3.258 ( 1.768 -8.272 3.233) 9.055 3.258 ( 1.768 8.272 3.233) 9.055 3.601 ( 0.725 -4.108 -0.457) 4.196 3.601 ( 0.725 4.108 -0.457) 4.196 3.878 ( 3.028 -6.826 -3.419) 8.213 3.878 ( 3.028 6.826 -3.419) 8.213 4.025 ( 0.828 -8.206 2.907) 8.745 4.025 ( 0.828 8.206 2.907) 8.745 4.414 ( -0.847 -8.580 -3.657) 9.365 4.414 ( -0.847 8.580 -3.657) 9.365 4.819 ( -0.230 -3.000 -7.002) 7.621 4.819 ( -0.230 3.000 -7.002) 7.621 5.047 ( 1.294 -1.942 2.031) 3.093 5.047 ( 1.294 1.942 2.031) 3.093 5.370 ( -4.223 -2.093 9.242) 10.375 5.370 ( -4.223 2.093 9.242) 10.375 5.531 ( 4.193 -1.326 2.544) 5.080 5.531 ( 4.193 1.326 2.544) 5.080 5.728 ( 0.998 -2.289 9.085) 9.423 5.728 ( 0.998 2.289 9.085) 9.423 6.083 ( -0.697 -2.344 4.628) 5.235 6.083 ( -0.697 2.344 4.628) 5.235 6.114 ( -2.640 -1.997 -1.682) 3.713 6.114 ( -2.640 1.997 -1.682) 3.713 6.415 ( -4.581 -2.074 -0.510) 5.054 6.415 ( -4.581 2.074 -0.510) 5.054 6.594 ( 1.722 -2.481 -0.610) 3.081 6.594 ( 1.722 2.481 -0.610) 3.081 6.925 ( 0.979 -3.167 -4.813) 5.844 6.925 ( 0.979 3.167 -4.813) 5.844 7.161 ( 1.143 -2.664 -4.622) 5.456 7.161 ( 1.143 2.664 -4.622) 5.456 7.459 ( 4.615 -1.519 -1.516) 5.090 7.459 ( 4.615 1.519 -1.516) 5.090 7.608 ( -1.216 -1.876 6.724) 7.086 7.608 ( -1.216 1.876 6.724) 7.086 8.464 ( 4.020 -2.938 5.299) 7.271 8.464 ( 4.020 2.938 5.299) 7.271 8.926 ( 1.129 -4.199 5.762) 7.219 8.926 ( 1.129 4.199 5.762) 7.219 9.290 ( -2.142 -4.985 1.740) 5.698 9.290 ( -2.142 4.985 1.740) 5.698 9.673 ( -3.754 -0.740 4.571) 5.961 9.673 ( -3.754 0.740 4.571) 5.961 9.928 ( -3.321 -1.567 0.895) 3.780 9.928 ( -3.321 1.567 0.895) 3.780 12.991 ( 1.140 -0.463 -3.677) 3.877 12.991 ( 1.140 0.463 -3.677) 3.877 13.067 ( 4.335 -1.006 -1.013) 4.564 13.067 ( 4.335 1.006 -1.013) 4.564 14.334 ( -0.483 -5.659 4.576) 7.294 14.334 ( -0.483 5.659 4.576) 7.294 14.989 ( -8.445 -8.551 -10.329) 15.847 14.989 ( -8.445 8.551 -10.329) 15.847 16.853 ( -6.945 -2.709 15.254) 16.978 16.853 ( -6.945 2.709 15.254) 16.978 17.863 ( 2.374 -4.624 -3.819) 6.450 17.863 ( 2.374 4.624 -3.819) 6.450 20.490 ( -5.924 -10.950 33.597) 35.830 20.490 ( -5.924 10.950 33.597) 35.830 21.804 ( 10.834 -12.912 -1.792) 16.950 21.804 ( 10.834 12.912 -1.792) 16.950 ======================= Grid point 165 (94/138) ======================= q-point: (-0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -11.316 -7.460 7.418) 15.451 1.578 ( -11.316 7.460 7.418) 15.451 1.862 ( -14.025 -8.350 9.414) 18.842 1.862 ( -14.025 8.350 9.414) 18.842 2.615 ( 6.968 -0.560 5.276) 8.758 2.615 ( 6.968 0.560 5.276) 8.758 2.684 ( 1.231 -9.409 -3.641) 10.163 2.684 ( 1.231 9.409 -3.641) 10.163 2.977 ( -4.120 -10.520 -1.286) 11.371 2.977 ( -4.120 10.520 -1.286) 11.371 3.317 ( 1.171 -7.476 3.864) 8.497 3.317 ( 1.171 7.476 3.864) 8.497 3.551 ( -8.447 -12.187 6.147) 16.052 3.551 ( -8.447 12.187 6.147) 16.052 3.892 ( 2.980 -1.755 -5.866) 6.810 3.892 ( 2.980 1.755 -5.866) 6.810 4.087 ( 3.851 -4.140 0.798) 5.710 4.087 ( 3.851 4.140 0.798) 5.710 4.368 ( -1.290 -5.790 -3.492) 6.883 4.368 ( -1.290 5.790 -3.492) 6.883 4.735 ( -1.021 -1.883 -9.250) 9.494 4.735 ( -1.021 1.883 -9.250) 9.494 5.058 ( -1.071 -1.098 1.058) 1.863 5.058 ( -1.071 1.098 1.058) 1.863 5.360 ( -3.782 -1.992 6.053) 7.410 5.360 ( -3.782 1.992 6.053) 7.410 5.593 ( -2.792 -4.703 5.794) 7.968 5.593 ( -2.792 4.703 5.794) 7.968 5.800 ( 3.045 -4.639 2.967) 6.292 5.800 ( 3.045 4.639 2.967) 6.292 6.070 ( -0.858 -2.750 0.215) 2.889 6.070 ( -0.858 2.750 0.215) 2.889 6.156 ( 2.141 -3.462 4.560) 6.112 6.156 ( 2.141 3.462 4.560) 6.112 6.362 ( -0.558 -3.150 4.002) 5.124 6.362 ( -0.558 3.150 4.002) 5.124 6.633 ( 1.853 -3.553 1.559) 4.300 6.633 ( 1.853 3.553 1.559) 4.300 6.918 ( 3.455 -2.000 -9.111) 9.947 6.918 ( 3.455 2.000 -9.111) 9.947 7.167 ( 2.782 -2.599 -2.125) 4.360 7.167 ( 2.782 2.599 -2.125) 4.360 7.548 ( 6.212 -2.650 -0.803) 6.802 7.548 ( 6.212 2.650 -0.803) 6.802 7.644 ( -0.485 -2.380 6.197) 6.656 7.644 ( -0.485 2.380 6.197) 6.656 8.554 ( 2.331 -8.883 1.146) 9.254 8.554 ( 2.331 8.883 1.146) 9.254 8.994 ( 1.454 -1.845 4.109) 4.733 8.994 ( 1.454 1.845 4.109) 4.733 9.225 ( -5.977 -1.970 0.810) 6.345 9.225 ( -5.977 1.970 0.810) 6.345 9.658 ( -2.314 -1.651 7.066) 7.616 9.658 ( -2.314 1.651 7.066) 7.616 9.945 ( 3.186 -0.508 3.718) 4.922 9.945 ( 3.186 0.508 3.718) 4.922 12.972 ( 0.565 -0.797 -4.419) 4.526 12.972 ( 0.565 0.797 -4.419) 4.526 13.154 ( 6.492 -1.011 -1.489) 6.737 13.154 ( 6.492 1.011 -1.489) 6.737 14.353 ( -2.487 -3.628 5.591) 7.114 14.353 ( -2.487 3.628 5.591) 7.114 14.725 ( -12.111 -5.567 -8.454) 15.785 14.725 ( -12.111 5.567 -8.454) 15.785 16.828 ( -9.343 -3.027 14.994) 17.924 16.828 ( -9.343 3.027 14.994) 17.924 17.855 ( 0.476 -4.671 -4.285) 6.357 17.855 ( 0.476 4.671 -4.285) 6.357 20.655 ( -5.189 -15.229 31.127) 35.039 20.655 ( -5.189 15.229 31.127) 35.039 22.011 ( 15.607 -13.344 -6.719) 21.605 22.011 ( 15.607 13.344 -6.719) 21.605 ======================= Grid point 167 (95/138) ======================= q-point: (-0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -5.934 -6.308 14.867) 17.206 1.524 ( -5.934 6.308 14.867) 17.206 1.755 ( -8.989 -11.215 15.395) 21.062 1.755 ( -8.989 11.215 15.395) 21.062 2.568 ( -2.587 -6.097 -4.906) 8.242 2.568 ( -2.587 6.097 -4.906) 8.242 2.816 ( 0.746 -6.816 2.582) 7.326 2.816 ( 0.746 6.816 2.582) 7.326 3.000 ( 6.188 -7.855 2.900) 10.412 3.000 ( 6.188 7.855 2.900) 10.412 3.336 ( -5.587 -18.507 6.696) 20.458 3.336 ( -5.587 18.507 6.696) 20.458 3.491 ( -1.032 -8.183 11.055) 13.793 3.491 ( -1.032 8.183 11.055) 13.793 3.901 ( 3.353 -1.052 -4.793) 5.944 3.901 ( 3.353 1.052 -4.793) 5.944 4.149 ( 2.917 -3.697 -1.881) 5.071 4.149 ( 2.917 3.697 -1.881) 5.071 4.308 ( -0.565 -4.084 -6.925) 8.060 4.308 ( -0.565 4.084 -6.925) 8.060 4.669 ( 1.516 -1.989 -7.383) 7.795 4.669 ( 1.516 1.989 -7.383) 7.795 5.048 ( -0.765 -0.289 1.297) 1.533 5.048 ( -0.765 0.289 1.297) 1.533 5.332 ( -3.712 -2.396 3.732) 5.783 5.332 ( -3.712 2.396 3.732) 5.783 5.544 ( -6.541 -5.880 5.176) 10.205 5.544 ( -6.541 5.880 5.176) 10.205 5.873 ( 2.282 -4.185 0.912) 4.853 5.873 ( 2.282 4.185 0.912) 4.853 6.052 ( -1.040 -2.578 -0.872) 2.913 6.052 ( -1.040 2.578 -0.872) 2.913 6.187 ( 0.458 -4.365 0.270) 4.398 6.187 ( 0.458 4.365 0.270) 4.398 6.481 ( 4.875 -0.517 8.553) 9.858 6.481 ( 4.875 0.517 8.553) 9.858 6.697 ( 2.618 -3.961 4.946) 6.856 6.697 ( 2.618 3.961 4.946) 6.856 6.883 ( 3.761 -3.134 -13.870) 14.709 6.883 ( 3.761 3.134 -13.870) 14.709 7.220 ( 3.320 -0.367 0.865) 3.451 7.220 ( 3.320 0.367 0.865) 3.451 7.627 ( 0.999 -3.282 3.245) 4.722 7.627 ( 0.999 3.282 3.245) 4.722 7.716 ( 4.877 -5.509 2.789) 7.868 7.716 ( 4.877 5.509 2.789) 7.868 8.551 ( -2.211 -10.794 -1.367) 11.103 8.551 ( -2.211 10.794 -1.367) 11.103 8.967 ( -5.683 -2.429 -1.938) 6.477 8.967 ( -5.683 2.429 -1.938) 6.477 9.166 ( -2.046 -4.142 3.891) 6.040 9.166 ( -2.046 4.142 3.891) 6.040 9.712 ( 0.737 -1.913 8.272) 8.523 9.712 ( 0.737 1.913 8.272) 8.523 10.074 ( 6.234 -1.108 5.600) 8.453 10.074 ( 6.234 1.108 5.600) 8.453 12.946 ( 0.744 -0.842 -4.882) 5.009 12.946 ( 0.744 0.842 -4.882) 5.009 13.254 ( 6.179 -1.081 -4.042) 7.462 13.254 ( 6.179 1.081 -4.042) 7.462 14.308 ( -6.077 -2.768 1.949) 6.956 14.308 ( -6.077 2.768 1.949) 6.956 14.507 ( -7.289 -2.044 2.157) 7.872 14.507 ( -7.289 2.044 2.157) 7.872 16.768 ( -10.622 -3.297 14.826) 18.534 16.768 ( -10.622 3.297 14.826) 18.534 17.815 ( -0.627 -4.705 -5.093) 6.962 17.815 ( -0.627 4.705 -5.093) 6.962 20.773 ( -8.435 -18.721 27.506) 34.325 20.773 ( -8.435 18.721 27.506) 34.325 22.199 ( 13.913 -11.640 -14.970) 23.519 22.199 ( 13.913 11.640 -14.970) 23.519 ======================= Grid point 169 (96/138) ======================= q-point: (-0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -2.871 -2.025 17.324) 17.676 1.573 ( -2.871 2.025 17.324) 17.676 1.752 ( -6.463 -12.774 15.363) 20.999 1.752 ( -6.463 12.774 15.363) 20.999 2.477 ( -5.958 -6.488 -3.015) 9.311 2.477 ( -5.958 6.488 -3.015) 9.311 2.809 ( -1.575 -6.655 2.294) 7.214 2.809 ( -1.575 6.655 2.294) 7.214 3.089 ( 2.300 -4.509 3.627) 6.227 3.089 ( 2.300 4.509 3.627) 6.227 3.306 ( -3.979 -19.932 11.963) 23.585 3.306 ( -3.979 19.932 11.963) 23.585 3.664 ( 6.730 -6.642 7.892) 12.316 3.664 ( 6.730 6.642 7.892) 12.316 3.928 ( 3.078 -2.935 -4.990) 6.557 3.928 ( 3.078 2.935 -4.990) 6.557 4.132 ( -2.694 -2.816 -0.783) 3.975 4.132 ( -2.694 2.816 -0.783) 3.975 4.302 ( 8.157 -2.651 -8.413) 12.015 4.302 ( 8.157 2.651 -8.413) 12.015 4.661 ( 2.411 -1.992 -5.400) 6.240 4.661 ( 2.411 1.992 -5.400) 6.240 5.048 ( -0.392 -1.723 0.822) 1.949 5.048 ( -0.392 1.723 0.822) 1.949 5.298 ( -2.992 -2.323 2.686) 4.644 5.298 ( -2.992 2.323 2.686) 4.644 5.459 ( -8.237 -5.084 6.443) 11.628 5.459 ( -8.237 5.084 6.443) 11.628 5.892 ( 0.334 -2.215 0.143) 2.244 5.892 ( 0.334 2.215 0.143) 2.244 6.031 ( 0.517 -2.032 -3.310) 3.918 6.031 ( 0.517 2.032 -3.310) 3.918 6.201 ( 0.837 -3.435 0.326) 3.550 6.201 ( 0.837 3.435 0.326) 3.550 6.588 ( 1.389 -1.740 5.418) 5.858 6.588 ( 1.389 1.740 5.418) 5.858 6.695 ( -4.539 -2.652 -3.000) 6.053 6.695 ( -4.539 2.652 -3.000) 6.053 6.925 ( 10.214 -3.485 -9.812) 14.586 6.925 ( 10.214 3.485 -9.812) 14.586 7.282 ( 1.451 -3.390 3.330) 4.969 7.282 ( 1.451 3.390 3.330) 4.969 7.663 ( -0.623 -2.231 5.465) 5.935 7.663 ( -0.623 2.231 5.465) 5.935 7.827 ( 5.370 -1.865 1.980) 6.020 7.827 ( 5.370 1.865 1.980) 6.020 8.481 ( -3.773 -7.655 -0.440) 8.545 8.481 ( -3.773 7.655 -0.440) 8.545 8.867 ( -3.183 -2.595 0.367) 4.124 8.867 ( -3.183 2.595 0.367) 4.124 9.143 ( -3.960 -3.776 0.852) 5.537 9.143 ( -3.960 3.776 0.852) 5.537 9.779 ( -0.701 -1.500 7.060) 7.252 9.779 ( -0.701 1.500 7.060) 7.252 10.211 ( 3.472 -1.946 5.157) 6.514 10.211 ( 3.472 1.946 5.157) 6.514 12.929 ( 1.872 -0.726 -4.746) 5.153 12.929 ( 1.872 0.726 -4.746) 5.153 13.257 ( -0.753 -0.925 -8.543) 8.626 13.257 ( -0.753 0.925 -8.543) 8.626 14.289 ( 3.165 -1.244 5.657) 6.601 14.289 ( 3.165 1.244 5.657) 6.601 14.474 ( -2.010 -2.907 6.950) 7.797 14.474 ( -2.010 2.907 6.950) 7.797 16.697 ( -10.488 -3.663 14.722) 18.443 16.697 ( -10.488 3.663 14.722) 18.443 17.759 ( -0.629 -4.634 -5.937) 7.558 17.759 ( -0.629 4.634 -5.937) 7.558 20.774 ( -15.323 -19.809 24.874) 35.298 20.774 ( -15.323 19.809 24.874) 35.298 22.225 ( 4.931 -11.950 -20.710) 24.413 22.225 ( 4.931 11.950 -20.710) 24.413 ======================= Grid point 180 (97/138) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.745 0.000 9.812) 9.840 1.834 ( -1.949 0.000 8.524) 8.744 2.039 ( -5.176 0.000 -0.534) 5.204 2.203 ( -1.375 0.000 19.475) 19.524 2.325 ( -7.064 0.000 0.326) 7.071 2.568 ( 6.986 0.000 10.840) 12.896 2.589 ( -3.409 0.000 10.224) 10.777 2.939 ( 1.879 0.000 1.843) 2.632 3.203 ( -5.738 0.000 11.777) 13.101 3.325 ( 5.727 0.000 -4.789) 7.465 3.366 ( -5.523 0.000 -6.954) 8.880 3.513 ( 0.315 0.000 1.305) 1.342 3.547 ( -0.444 0.000 -4.642) 4.663 3.690 ( 3.381 0.000 -12.069) 12.533 3.810 ( 2.641 0.000 -2.628) 3.726 3.950 ( 10.692 0.000 2.903) 11.080 4.148 ( -1.036 0.000 -4.095) 4.224 4.353 ( -2.352 0.000 -11.644) 11.879 4.376 ( -0.406 0.000 12.537) 12.544 4.574 ( 4.604 0.000 3.329) 5.682 4.686 ( -3.117 0.000 5.221) 6.080 4.774 ( -6.826 0.000 2.138) 7.153 4.863 ( 3.647 0.000 -0.173) 3.652 5.069 ( 3.274 0.000 -5.013) 5.987 5.339 ( -1.766 0.000 5.428) 5.708 5.361 ( -1.970 0.000 1.669) 2.583 5.472 ( -5.845 0.000 3.972) 7.066 5.496 ( -3.944 0.000 0.064) 3.945 5.740 ( -0.706 0.000 0.518) 0.876 5.903 ( -3.073 0.000 1.377) 3.367 5.925 ( 2.707 0.000 2.321) 3.565 6.170 ( -1.167 0.000 -1.498) 1.899 6.192 ( 1.718 0.000 -9.187) 9.347 6.355 ( 1.717 0.000 4.116) 4.460 6.394 ( 11.472 0.000 -12.270) 16.798 6.469 ( 6.019 0.000 -4.184) 7.331 6.592 ( -2.253 0.000 1.362) 2.632 6.718 ( -6.948 0.000 -3.299) 7.692 6.832 ( 3.933 0.000 -0.650) 3.987 6.902 ( 0.724 0.000 -9.559) 9.587 7.135 ( -2.246 0.000 4.952) 5.438 7.319 ( -9.137 0.000 -4.793) 10.318 7.623 ( -1.236 0.000 2.186) 2.511 7.649 ( -0.555 0.000 0.856) 1.020 7.998 ( 2.306 0.000 3.140) 3.896 8.022 ( -0.123 0.000 2.572) 2.575 8.432 ( 2.168 0.000 11.764) 11.962 8.587 ( 3.231 0.000 3.261) 4.591 8.754 ( -2.503 0.000 2.071) 3.249 8.911 ( -6.749 0.000 -5.455) 8.678 9.046 ( -7.182 0.000 1.689) 7.378 9.098 ( 6.569 0.000 -0.577) 6.595 9.951 ( -1.319 0.000 3.126) 3.393 9.964 ( -1.432 0.000 3.204) 3.510 10.263 ( -2.611 0.000 4.835) 5.495 10.353 ( -0.277 0.000 1.428) 1.454 12.843 ( 2.894 0.000 -2.812) 4.035 12.901 ( -2.053 0.000 -4.943) 5.353 12.966 ( 1.396 0.000 -0.832) 1.625 13.064 ( -3.149 0.000 -4.390) 5.403 14.477 ( -10.608 0.000 7.200) 12.821 14.594 ( 6.337 0.000 7.068) 9.493 14.652 ( 18.385 0.000 -0.822) 18.403 14.696 ( -0.815 0.000 2.445) 2.577 16.836 ( -7.252 0.000 14.536) 16.244 17.076 ( -9.517 0.000 16.507) 19.054 17.373 ( 3.248 0.000 -11.241) 11.701 17.649 ( 3.365 0.000 -10.691) 11.208 20.835 ( -13.949 0.000 25.769) 29.302 21.421 ( 3.606 0.000 -3.626) 5.114 21.434 ( -19.298 0.000 5.848) 20.164 21.968 ( 3.335 0.000 -20.528) 20.797 ======================= Grid point 181 (98/138) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 10.301 0.000 9.884) 14.276 1.855 ( 3.851 0.000 1.524) 4.142 2.072 ( 1.196 0.000 11.503) 11.565 2.228 ( -3.610 0.000 -1.192) 3.802 2.381 ( 3.370 0.000 18.588) 18.891 2.626 ( -2.019 0.000 4.817) 5.223 2.703 ( 1.750 0.000 1.766) 2.486 2.977 ( 1.690 0.000 0.821) 1.879 3.154 ( -6.509 0.000 7.429) 9.877 3.164 ( -9.202 0.000 -1.250) 9.287 3.374 ( 5.103 0.000 -3.880) 6.411 3.504 ( 0.186 0.000 -1.453) 1.465 3.566 ( 3.363 0.000 -3.491) 4.847 3.609 ( -0.327 0.000 -13.925) 13.929 3.932 ( 7.428 0.000 5.914) 9.495 3.989 ( -11.129 0.000 -7.514) 13.428 4.130 ( 2.224 0.000 7.856) 8.165 4.200 ( 0.151 0.000 -18.719) 18.720 4.495 ( 2.563 0.000 12.415) 12.677 4.604 ( -1.791 0.000 -0.430) 1.841 4.638 ( -6.554 0.000 -2.074) 6.874 4.672 ( -6.096 0.000 7.482) 9.651 4.905 ( 2.631 0.000 -3.574) 4.437 5.061 ( 0.029 0.000 -2.451) 2.451 5.369 ( 0.703 0.000 7.247) 7.281 5.395 ( -3.057 0.000 -0.890) 3.184 5.410 ( 2.945 0.000 4.389) 5.285 5.486 ( -1.757 0.000 6.290) 6.530 5.730 ( -2.444 0.000 1.863) 3.073 5.849 ( -3.371 0.000 1.490) 3.685 5.984 ( 1.006 0.000 0.652) 1.199 6.102 ( -2.948 0.000 -3.550) 4.615 6.174 ( 3.708 0.000 -7.048) 7.963 6.389 ( -1.192 0.000 0.141) 1.200 6.468 ( 10.238 0.000 -15.741) 18.778 6.536 ( 3.461 0.000 -3.492) 4.916 6.617 ( -1.778 0.000 -0.107) 1.781 6.642 ( 2.993 0.000 6.741) 7.376 6.815 ( -0.072 0.000 -10.752) 10.752 6.863 ( 0.429 0.000 -1.288) 1.357 7.153 ( -6.874 0.000 1.269) 6.990 7.156 ( -1.341 0.000 8.367) 8.474 7.618 ( -1.657 0.000 3.018) 3.443 7.625 ( -2.730 0.000 1.347) 3.044 7.970 ( -6.056 0.000 0.372) 6.068 8.017 ( -2.701 0.000 1.651) 3.166 8.457 ( -6.173 0.000 6.693) 9.105 8.591 ( -8.797 0.000 -4.625) 9.939 8.796 ( 3.207 0.000 2.480) 4.054 8.841 ( 4.914 0.000 5.530) 7.397 8.933 ( -5.704 0.000 3.089) 6.487 9.242 ( 8.700 0.000 -1.556) 8.838 9.940 ( -2.475 0.000 2.590) 3.582 9.961 ( -1.696 0.000 3.439) 3.835 10.226 ( -5.668 0.000 4.380) 7.163 10.330 ( -3.459 0.000 1.637) 3.827 12.835 ( -0.976 0.000 -3.477) 3.612 12.875 ( 2.893 0.000 -2.304) 3.699 12.996 ( -0.997 0.000 -3.563) 3.700 13.012 ( 2.622 0.000 2.133) 3.380 14.330 ( -10.016 0.000 3.449) 10.593 14.665 ( -2.039 0.000 -2.127) 2.947 14.748 ( 5.823 0.000 2.885) 6.498 14.958 ( 17.580 0.000 -5.827) 18.521 16.859 ( -3.939 0.000 15.423) 15.918 17.063 ( -7.160 0.000 17.940) 19.316 17.368 ( 6.049 0.000 -10.155) 11.820 17.654 ( 5.969 0.000 -9.139) 10.916 20.793 ( -14.631 0.000 27.247) 30.927 21.185 ( -18.438 0.000 17.522) 25.436 21.440 ( 1.284 0.000 -2.923) 3.192 21.868 ( 1.422 0.000 -13.940) 14.012 ======================= Grid point 182 (99/138) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 6.557 0.000 4.126) 7.747 2.067 ( 7.994 0.000 6.235) 10.138 2.181 ( 1.776 0.000 -3.851) 4.241 2.199 ( 3.988 0.000 12.827) 13.433 2.384 ( -10.684 0.000 -8.229) 13.485 2.657 ( -2.828 0.000 -8.336) 8.803 2.746 ( 11.300 0.000 16.950) 20.371 2.997 ( -4.208 0.000 5.919) 7.262 3.107 ( -2.299 0.000 6.678) 7.063 3.130 ( -2.832 0.000 8.339) 8.807 3.428 ( 0.313 0.000 2.176) 2.199 3.468 ( -2.204 0.000 -14.672) 14.836 3.530 ( -6.006 0.000 -8.256) 10.210 3.559 ( 8.724 0.000 -5.224) 10.168 3.716 ( -8.113 0.000 -7.510) 11.056 4.055 ( 1.330 0.000 -1.294) 1.855 4.085 ( 3.105 0.000 -17.868) 18.136 4.145 ( -4.903 0.000 7.346) 8.832 4.482 ( -7.783 0.000 -0.249) 7.787 4.538 ( -3.445 0.000 -0.755) 3.527 4.629 ( 1.883 0.000 7.669) 7.897 4.680 ( 0.778 0.000 8.756) 8.791 4.935 ( 3.407 0.000 -2.236) 4.075 5.052 ( 0.548 0.000 -0.318) 0.634 5.345 ( -1.048 0.000 -1.896) 2.167 5.449 ( 2.128 0.000 5.704) 6.088 5.520 ( 0.288 0.000 3.900) 3.910 5.524 ( 4.517 0.000 7.104) 8.418 5.680 ( -7.272 0.000 8.953) 11.534 5.813 ( -3.280 0.000 4.508) 5.575 5.952 ( -3.534 0.000 -1.128) 3.710 6.061 ( 1.829 0.000 -2.761) 3.312 6.194 ( 2.677 0.000 -3.973) 4.791 6.341 ( -1.942 0.000 -2.076) 2.843 6.509 ( 8.294 0.000 -15.484) 17.566 6.579 ( 6.615 0.000 -7.497) 9.998 6.626 ( 0.531 0.000 1.016) 1.146 6.628 ( -3.305 0.000 -6.381) 7.186 6.815 ( 2.008 0.000 1.051) 2.266 6.836 ( -2.891 0.000 0.489) 2.932 7.099 ( -2.833 0.000 4.763) 5.542 7.211 ( -1.352 0.000 9.764) 9.857 7.581 ( -3.915 0.000 2.087) 4.436 7.602 ( -3.502 0.000 2.996) 4.609 7.841 ( -8.088 0.000 -0.074) 8.088 7.901 ( -10.244 0.000 -2.403) 10.522 8.397 ( -5.972 0.000 -2.282) 6.394 8.415 ( -3.498 0.000 7.739) 8.493 8.811 ( -4.089 0.000 1.103) 4.235 8.927 ( 6.006 0.000 4.007) 7.220 9.023 ( 3.449 0.000 8.023) 8.733 9.350 ( 5.334 0.000 -3.131) 6.185 9.903 ( -3.846 0.000 1.941) 4.308 9.959 ( -1.393 0.000 2.627) 2.974 10.138 ( -7.817 0.000 3.682) 8.641 10.261 ( -5.727 0.000 1.311) 5.875 12.816 ( 1.119 0.000 -1.884) 2.191 12.905 ( 2.002 0.000 -1.340) 2.409 12.969 ( 0.729 0.000 -2.812) 2.905 13.078 ( 1.839 0.000 3.431) 3.892 14.207 ( -5.579 0.000 1.885) 5.889 14.604 ( -1.461 0.000 -4.401) 4.637 14.831 ( 2.859 0.000 -1.218) 3.108 15.154 ( 11.848 0.000 -10.749) 15.997 16.927 ( -2.650 0.000 15.691) 15.914 17.110 ( -4.500 0.000 19.356) 19.872 17.422 ( 8.245 0.000 -8.848) 12.094 17.706 ( 7.482 0.000 -8.213) 11.110 20.752 ( -13.850 0.000 26.195) 29.631 21.080 ( -13.496 0.000 26.923) 30.116 21.417 ( -0.834 0.000 -3.628) 3.723 21.812 ( 1.228 0.000 -5.948) 6.073 ======================= Grid point 183 (100/138) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -12.033 0.000 0.691) 12.053 2.110 ( -0.735 0.000 -0.603) 0.951 2.118 ( -6.585 0.000 0.325) 6.593 2.260 ( 4.092 0.000 -4.340) 5.965 2.513 ( -4.555 0.000 -7.691) 8.939 2.531 ( 19.601 0.000 2.866) 19.809 2.927 ( -9.372 0.000 9.073) 13.045 2.996 ( -11.888 0.000 0.838) 11.918 3.123 ( 7.812 0.000 6.804) 10.360 3.129 ( -5.324 0.000 4.930) 7.256 3.290 ( -3.376 0.000 0.306) 3.390 3.349 ( -0.523 0.000 -13.044) 13.054 3.433 ( -0.887 0.000 0.643) 1.096 3.587 ( -2.143 0.000 -5.818) 6.200 3.627 ( 2.188 0.000 -7.502) 7.814 3.940 ( -6.486 0.000 -7.806) 10.149 4.012 ( 2.641 0.000 -13.760) 14.011 4.199 ( 3.993 0.000 6.487) 7.617 4.405 ( -0.839 0.000 0.583) 1.022 4.510 ( -0.263 0.000 1.649) 1.670 4.698 ( 1.331 0.000 5.328) 5.492 4.797 ( 2.533 0.000 8.030) 8.420 4.970 ( 2.047 0.000 -2.201) 3.006 5.076 ( 1.623 0.000 1.037) 1.926 5.340 ( 1.443 0.000 0.260) 1.466 5.529 ( 1.438 0.000 5.615) 5.797 5.532 ( -1.509 0.000 3.530) 3.839 5.657 ( 3.054 0.000 7.647) 8.235 5.675 ( -2.198 0.000 13.280) 13.460 5.815 ( -3.182 0.000 8.595) 9.165 5.893 ( -0.971 0.000 0.290) 1.014 6.111 ( 5.226 0.000 -0.935) 5.309 6.191 ( -0.330 0.000 -2.084) 2.110 6.307 ( -0.452 0.000 -1.242) 1.321 6.500 ( -3.104 0.000 -7.241) 7.878 6.529 ( 6.864 0.000 -16.634) 17.995 6.613 ( -2.393 0.000 -0.942) 2.571 6.639 ( 8.590 0.000 -12.250) 14.961 6.762 ( -6.206 0.000 0.136) 6.208 6.809 ( -4.185 0.000 1.521) 4.453 7.093 ( -3.199 0.000 4.774) 5.747 7.228 ( -4.511 0.000 6.599) 7.994 7.513 ( -8.418 0.000 0.717) 8.449 7.514 ( -4.748 0.000 1.074) 4.868 7.707 ( -7.224 0.000 -0.967) 7.289 7.722 ( -4.883 0.000 1.715) 5.175 8.360 ( 1.013 0.000 2.087) 2.320 8.480 ( 1.447 0.000 11.618) 11.708 8.784 ( -0.834 0.000 2.844) 2.964 9.049 ( 4.741 0.000 2.763) 5.488 9.112 ( 0.358 0.000 6.278) 6.288 9.383 ( 1.747 0.000 -3.352) 3.780 9.843 ( -4.104 0.000 1.370) 4.327 9.943 ( -2.236 0.000 0.471) 2.285 10.019 ( -8.046 0.000 2.603) 8.456 10.153 ( -7.024 0.000 0.326) 7.031 12.840 ( 2.745 0.000 -1.169) 2.983 12.921 ( 0.752 0.000 -0.992) 1.245 12.975 ( 1.965 0.000 -1.695) 2.595 13.115 ( -0.582 0.000 2.550) 2.616 14.184 ( 0.366 0.000 4.293) 4.308 14.558 ( 0.293 0.000 -4.024) 4.035 14.833 ( -0.410 0.000 -3.447) 3.471 15.202 ( 4.757 0.000 -13.887) 14.679 17.004 ( -2.975 0.000 15.741) 16.020 17.191 ( -4.215 0.000 19.315) 19.770 17.502 ( 8.170 0.000 -8.441) 11.748 17.777 ( 7.531 0.000 -8.009) 10.994 20.733 ( -11.261 0.000 25.346) 27.735 21.119 ( -8.221 0.000 30.004) 31.110 21.367 ( -1.095 0.000 -3.778) 3.934 21.814 ( 2.534 0.000 -2.202) 3.357 ======================= Grid point 184 (101/138) ======================= q-point: (-0.56 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -4.224 0.000 2.247) 4.784 2.041 ( -5.927 0.000 3.614) 6.942 2.057 ( -10.892 0.000 0.305) 10.897 2.149 ( -3.379 0.000 -6.465) 7.295 2.455 ( 1.063 0.000 -3.953) 4.094 2.698 ( -12.534 0.000 -6.634) 14.182 2.831 ( 13.416 0.000 -8.858) 16.076 2.851 ( -7.363 0.000 11.978) 14.060 2.997 ( -9.089 0.000 -3.643) 9.792 3.045 ( -10.771 0.000 5.037) 11.891 3.270 ( 2.264 0.000 -4.334) 4.889 3.404 ( -1.507 0.000 -2.914) 3.281 3.492 ( -4.267 0.000 1.625) 4.566 3.566 ( 15.781 0.000 3.494) 16.163 3.655 ( 6.485 0.000 -3.031) 7.158 3.751 ( -9.153 0.000 -5.087) 10.472 3.966 ( 2.757 0.000 -9.639) 10.025 4.295 ( 0.519 0.000 6.539) 6.560 4.428 ( 4.037 0.000 -8.223) 9.160 4.527 ( -0.224 0.000 1.707) 1.721 4.767 ( -0.908 0.000 5.502) 5.576 4.869 ( 1.576 0.000 6.616) 6.801 4.967 ( 0.118 0.000 -2.709) 2.711 5.109 ( 0.674 0.000 0.702) 0.973 5.407 ( 3.710 0.000 4.519) 5.847 5.571 ( -1.338 0.000 4.190) 4.398 5.584 ( 2.449 0.000 8.866) 9.198 5.730 ( -1.524 0.000 7.755) 7.903 5.780 ( 0.282 0.000 12.087) 12.090 5.811 ( -2.300 0.000 5.368) 5.839 5.957 ( 5.913 0.000 2.291) 6.342 6.153 ( -1.969 0.000 -1.617) 2.547 6.226 ( 5.713 0.000 1.741) 5.972 6.300 ( 1.006 0.000 0.778) 1.272 6.378 ( -2.645 0.000 -6.347) 6.876 6.525 ( 5.022 0.000 -14.690) 15.525 6.525 ( -6.009 0.000 -3.129) 6.776 6.634 ( -5.913 0.000 -1.169) 6.028 6.673 ( 6.788 0.000 -13.952) 15.515 6.697 ( -6.764 0.000 -2.925) 7.370 7.068 ( -1.987 0.000 4.101) 4.557 7.163 ( -6.462 0.000 3.299) 7.256 7.395 ( -3.338 0.000 1.084) 3.510 7.458 ( -2.864 0.000 0.624) 2.931 7.645 ( -1.568 0.000 2.821) 3.228 7.690 ( -1.774 0.000 2.871) 3.375 8.456 ( 7.110 0.000 3.836) 8.079 8.569 ( -2.980 0.000 8.232) 8.754 8.837 ( 2.950 0.000 7.058) 7.649 9.137 ( 3.502 0.000 1.017) 3.647 9.149 ( -1.161 0.000 5.680) 5.797 9.368 ( -0.590 0.000 -3.356) 3.408 9.795 ( -2.164 0.000 1.453) 2.606 9.879 ( -4.700 0.000 -0.813) 4.769 9.920 ( -4.753 0.000 2.567) 5.402 10.034 ( -5.906 0.000 -0.401) 5.919 12.888 ( 3.620 0.000 -1.212) 3.818 12.914 ( -0.169 0.000 -1.704) 1.712 13.011 ( 2.872 0.000 -0.240) 2.882 13.102 ( -1.778 0.000 0.238) 1.794 14.271 ( 2.949 0.000 8.249) 8.760 14.548 ( 1.120 0.000 -2.235) 2.499 14.770 ( -3.631 0.000 -2.909) 4.653 15.108 ( -2.181 0.000 -15.102) 15.259 17.060 ( -4.894 0.000 15.256) 16.021 17.254 ( -5.917 0.000 18.622) 19.539 17.564 ( 6.377 0.000 -8.811) 10.876 17.835 ( 6.205 0.000 -8.389) 10.434 20.757 ( -8.721 0.000 24.631) 26.130 21.257 ( -2.030 0.000 27.471) 27.546 21.326 ( -0.097 0.000 -3.645) 3.646 21.863 ( 5.922 0.000 -4.131) 7.220 ======================= Grid point 185 (102/138) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -16.949 0.000 2.491) 17.131 1.845 ( -2.748 0.000 8.531) 8.963 1.963 ( -2.550 0.000 1.693) 3.061 2.161 ( 4.312 0.000 1.265) 4.494 2.413 ( -4.531 0.000 1.535) 4.784 2.548 ( -3.200 0.000 4.205) 5.284 2.813 ( -1.182 0.000 -9.371) 9.445 2.817 ( -5.963 0.000 -4.886) 7.709 2.880 ( -1.539 0.000 13.208) 13.297 2.988 ( 2.463 0.000 -2.988) 3.872 3.337 ( -3.024 0.000 -2.853) 4.158 3.340 ( 3.663 0.000 2.621) 4.505 3.473 ( -1.092 0.000 2.869) 3.069 3.536 ( -11.388 0.000 -1.618) 11.503 3.713 ( 9.300 0.000 -7.698) 12.073 3.866 ( 10.651 0.000 -0.690) 10.674 3.962 ( 2.103 0.000 0.345) 2.131 4.317 ( -1.994 0.000 -1.914) 2.764 4.400 ( 2.602 0.000 -7.985) 8.398 4.511 ( -2.677 0.000 0.107) 2.680 4.722 ( -6.550 0.000 6.036) 8.907 4.941 ( -1.121 0.000 -1.452) 1.834 4.973 ( 1.538 0.000 5.963) 6.158 5.094 ( -1.782 0.000 -1.838) 2.560 5.508 ( 1.530 0.000 7.260) 7.420 5.543 ( -4.298 0.000 0.930) 4.397 5.691 ( -2.081 0.000 7.808) 8.080 5.724 ( -5.386 0.000 5.729) 7.864 5.829 ( 4.648 0.000 8.260) 9.478 5.901 ( 2.819 0.000 3.959) 4.860 6.022 ( -1.483 0.000 -1.448) 2.073 6.177 ( 7.869 0.000 -0.071) 7.870 6.229 ( -2.327 0.000 0.417) 2.365 6.336 ( -1.224 0.000 -0.856) 1.494 6.337 ( -7.369 0.000 -3.016) 7.962 6.437 ( -1.887 0.000 -5.395) 5.715 6.459 ( 4.934 0.000 4.139) 6.440 6.598 ( 3.206 0.000 0.921) 3.336 6.607 ( 4.217 0.000 -14.230) 14.842 6.660 ( 3.657 0.000 -11.028) 11.619 7.110 ( -0.637 0.000 1.038) 1.218 7.133 ( 5.577 0.000 5.067) 7.535 7.408 ( -2.547 0.000 0.304) 2.565 7.410 ( 2.001 0.000 3.044) 3.643 7.667 ( 0.492 0.000 3.539) 3.573 7.683 ( -1.575 0.000 2.085) 2.613 8.505 ( -7.335 0.000 2.220) 7.664 8.648 ( 10.483 0.000 2.707) 10.827 8.956 ( 1.760 0.000 8.137) 8.325 9.167 ( -2.234 0.000 6.628) 6.995 9.180 ( 1.337 0.000 -3.073) 3.351 9.292 ( -4.522 0.000 -4.382) 6.297 9.793 ( 0.093 0.000 2.471) 2.473 9.800 ( -3.277 0.000 1.642) 3.665 9.917 ( 1.423 0.000 4.428) 4.651 9.960 ( -1.956 0.000 1.089) 2.239 12.892 ( -0.445 0.000 -2.417) 2.457 12.939 ( 3.042 0.000 -1.685) 3.477 13.070 ( 3.660 0.000 0.734) 3.732 13.074 ( 0.063 0.000 -2.053) 2.054 14.377 ( 0.306 0.000 8.470) 8.475 14.548 ( -0.123 0.000 -1.439) 1.445 14.677 ( -5.681 0.000 2.098) 6.056 14.899 ( -8.113 0.000 -13.108) 15.416 17.069 ( -7.477 0.000 14.654) 16.451 17.274 ( -8.244 0.000 17.806) 19.622 17.584 ( 4.067 0.000 -9.457) 10.295 17.857 ( 4.157 0.000 -9.256) 10.147 20.806 ( -7.534 0.000 23.438) 24.619 21.307 ( 1.459 0.000 -4.164) 4.413 21.476 ( 4.927 0.000 20.421) 21.007 21.950 ( 9.794 0.000 -9.646) 13.747 ======================= Grid point 186 (103/138) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -5.608 0.000 13.567) 14.681 1.773 ( -7.104 0.000 4.450) 8.382 2.003 ( -4.312 0.000 13.405) 14.081 2.275 ( -0.184 0.000 4.198) 4.202 2.355 ( -0.451 0.000 4.203) 4.227 2.564 ( -0.166 0.000 -0.042) 0.171 2.747 ( 0.300 0.000 3.737) 3.749 2.784 ( 3.049 0.000 -3.549) 4.679 2.957 ( -3.619 0.000 14.700) 15.139 3.096 ( 10.640 0.000 3.821) 11.305 3.254 ( -5.239 0.000 -3.324) 6.204 3.325 ( -7.569 0.000 0.850) 7.617 3.405 ( 2.865 0.000 1.598) 3.281 3.535 ( 4.941 0.000 1.156) 5.074 3.813 ( 6.329 0.000 -3.840) 7.403 3.901 ( 3.122 0.000 -10.991) 11.426 4.085 ( 4.389 0.000 6.647) 7.965 4.203 ( -0.991 0.000 -15.885) 15.916 4.399 ( -0.866 0.000 0.301) 0.916 4.439 ( -4.103 0.000 -1.052) 4.236 4.679 ( -4.952 0.000 9.110) 10.369 4.914 ( -0.713 0.000 0.174) 0.734 4.990 ( -3.316 0.000 3.889) 5.111 5.033 ( -2.493 0.000 -3.576) 4.359 5.448 ( -4.828 0.000 -2.502) 5.438 5.541 ( -3.722 0.000 6.590) 7.568 5.644 ( -6.887 0.000 2.794) 7.432 5.717 ( 0.138 0.000 6.161) 6.162 5.898 ( -1.371 0.000 -1.078) 1.744 5.976 ( -2.289 0.000 -0.244) 2.302 6.007 ( 2.400 0.000 2.880) 3.749 6.162 ( -6.875 0.000 -1.346) 7.006 6.238 ( 1.787 0.000 2.473) 3.051 6.244 ( -2.742 0.000 -3.319) 4.305 6.307 ( 6.088 0.000 -4.858) 7.789 6.510 ( 9.249 0.000 -3.121) 9.762 6.526 ( 1.689 0.000 2.489) 3.009 6.562 ( 4.451 0.000 -17.886) 18.432 6.682 ( 4.545 0.000 1.747) 4.869 6.765 ( 9.203 0.000 4.722) 10.343 7.147 ( 3.355 0.000 0.156) 3.359 7.296 ( 6.447 0.000 3.691) 7.429 7.425 ( 4.187 0.000 3.846) 5.685 7.482 ( 3.223 0.000 2.725) 4.220 7.667 ( -1.519 0.000 1.652) 2.244 7.714 ( 2.483 0.000 2.444) 3.484 8.393 ( -6.113 0.000 1.295) 6.249 8.811 ( 6.251 0.000 -1.534) 6.436 8.997 ( -2.626 0.000 4.337) 5.071 9.037 ( -9.608 0.000 -11.399) 14.908 9.176 ( -3.040 0.000 7.337) 7.941 9.230 ( -0.983 0.000 -0.146) 0.994 9.809 ( 1.227 0.000 4.401) 4.568 9.836 ( 1.478 0.000 4.305) 4.552 10.009 ( 5.129 0.000 4.211) 6.636 10.020 ( 4.782 0.000 5.787) 7.507 12.862 ( -0.443 0.000 -2.979) 3.012 12.952 ( 0.053 0.000 -1.640) 1.640 13.084 ( 3.940 0.000 -5.397) 6.682 13.149 ( 4.356 0.000 0.809) 4.431 14.382 ( -4.810 0.000 4.361) 6.493 14.471 ( -6.175 0.000 -8.106) 10.190 14.638 ( -4.969 0.000 11.450) 12.482 14.690 ( -6.283 0.000 -0.311) 6.290 17.032 ( -9.544 0.000 14.151) 17.068 17.248 ( -10.273 0.000 17.025) 19.884 17.558 ( 1.973 0.000 -10.299) 10.486 17.835 ( 2.230 0.000 -10.401) 10.638 20.854 ( -7.741 0.000 22.269) 23.576 21.312 ( 3.212 0.000 -5.052) 5.987 21.719 ( 7.913 0.000 9.081) 12.045 22.040 ( 11.484 0.000 -16.175) 19.837 ======================= Grid point 187 (104/138) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -3.454 0.000 7.763) 8.497 1.733 ( -1.625 0.000 19.931) 19.997 2.011 ( -8.157 0.000 19.486) 21.124 2.180 ( -4.089 0.000 0.331) 4.103 2.448 ( 1.443 0.000 5.375) 5.565 2.493 ( -2.460 0.000 -12.512) 12.752 2.764 ( -8.391 0.000 6.753) 10.771 2.862 ( -2.262 0.000 15.208) 15.375 3.028 ( 1.457 0.000 13.197) 13.277 3.138 ( -1.846 0.000 5.039) 5.366 3.291 ( 2.777 0.000 -5.507) 6.167 3.357 ( 11.982 0.000 1.228) 12.044 3.496 ( 6.276 0.000 0.569) 6.302 3.662 ( 7.692 0.000 -0.274) 7.697 3.817 ( -1.590 0.000 -3.669) 3.999 3.931 ( 8.114 0.000 -4.838) 9.447 4.062 ( 0.246 0.000 -17.670) 17.671 4.185 ( 4.126 0.000 4.733) 6.279 4.356 ( -4.514 0.000 1.839) 4.874 4.408 ( 1.976 0.000 -1.238) 2.332 4.678 ( -3.814 0.000 9.301) 10.053 4.928 ( -0.656 0.000 1.032) 1.222 4.944 ( -4.563 0.000 2.616) 5.260 4.956 ( -0.270 0.000 -4.410) 4.418 5.364 ( -1.959 0.000 -2.743) 3.371 5.524 ( -3.341 0.000 5.698) 6.605 5.543 ( -6.345 0.000 1.275) 6.472 5.749 ( -1.410 0.000 1.418) 2.000 5.865 ( -0.709 0.000 1.539) 1.695 5.898 ( -8.797 0.000 -3.944) 9.640 5.929 ( -3.577 0.000 1.616) 3.925 6.131 ( -0.817 0.000 3.415) 3.511 6.216 ( 3.230 0.000 -5.136) 6.068 6.299 ( 1.226 0.000 2.241) 2.554 6.324 ( 3.233 0.000 -10.168) 10.669 6.486 ( 3.779 0.000 -17.947) 18.341 6.613 ( 5.927 0.000 2.329) 6.368 6.616 ( 4.698 0.000 -2.276) 5.220 6.826 ( 6.726 0.000 3.647) 7.651 6.898 ( 2.594 0.000 0.245) 2.605 7.184 ( -0.148 0.000 -0.279) 0.316 7.427 ( 6.648 0.000 1.557) 6.828 7.551 ( 3.312 0.000 5.386) 6.323 7.574 ( 4.374 0.000 2.097) 4.851 7.694 ( 3.623 0.000 5.161) 6.305 7.802 ( 5.395 0.000 1.463) 5.590 8.324 ( -3.585 0.000 2.967) 4.654 8.744 ( -9.646 0.000 -9.654) 13.647 8.869 ( 0.946 0.000 -1.767) 2.005 8.944 ( -6.080 0.000 2.602) 6.613 9.173 ( -3.377 0.000 5.667) 6.597 9.205 ( -1.680 0.000 -1.366) 2.165 9.887 ( 2.829 0.000 4.299) 5.146 9.897 ( 0.993 0.000 4.650) 4.755 10.148 ( 3.945 0.000 5.970) 7.156 10.170 ( 7.967 0.000 3.888) 8.865 12.834 ( 0.170 0.000 -3.182) 3.186 12.934 ( -0.307 0.000 -1.314) 1.349 13.090 ( 2.279 0.000 -8.829) 9.119 13.210 ( 1.875 0.000 -1.849) 2.633 14.298 ( -3.185 0.000 -4.474) 5.492 14.348 ( -2.459 0.000 6.893) 7.318 14.640 ( -6.912 0.000 13.344) 15.028 14.656 ( -2.248 0.000 6.146) 6.544 16.962 ( -10.716 0.000 13.630) 17.338 17.190 ( -11.096 0.000 16.484) 19.871 17.496 ( 0.895 0.000 -11.115) 11.151 17.775 ( 1.023 0.000 -11.456) 11.502 20.880 ( -9.394 0.000 22.013) 23.933 21.339 ( 4.497 0.000 -5.502) 7.106 21.838 ( 1.032 0.000 -1.876) 2.141 22.084 ( 10.103 0.000 -21.300) 23.575 ======================= Grid point 188 (105/138) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -12.361 0.000 9.872) 15.819 1.768 ( -0.683 0.000 10.720) 10.741 2.052 ( -6.164 0.000 22.664) 23.487 2.289 ( -7.908 0.000 -13.071) 15.277 2.315 ( 10.503 0.000 10.667) 14.970 2.443 ( -6.285 0.000 3.377) 7.134 2.639 ( -10.880 0.000 9.671) 14.557 2.890 ( -0.406 0.000 5.438) 5.453 3.117 ( -3.435 0.000 22.783) 23.041 3.290 ( 5.273 0.000 -9.521) 10.883 3.381 ( 10.459 0.000 10.184) 14.598 3.424 ( 1.493 0.000 -5.306) 5.512 3.625 ( 4.241 0.000 -2.711) 5.033 3.715 ( -1.049 0.000 -11.147) 11.196 3.759 ( 4.752 0.000 -1.517) 4.988 3.928 ( 0.710 0.000 -17.782) 17.796 4.087 ( 8.041 0.000 1.597) 8.198 4.318 ( -3.052 0.000 8.279) 8.824 4.376 ( 10.657 0.000 7.679) 13.136 4.429 ( 1.219 0.000 -4.352) 4.520 4.687 ( -3.023 0.000 7.706) 8.278 4.856 ( -1.992 0.000 -2.869) 3.492 4.869 ( -5.755 0.000 1.596) 5.972 5.013 ( 5.141 0.000 -1.318) 5.308 5.333 ( -0.181 0.000 -0.846) 0.865 5.440 ( -6.435 0.000 1.295) 6.564 5.505 ( -3.066 0.000 3.610) 4.736 5.645 ( -8.542 0.000 -3.282) 9.150 5.768 ( -3.718 0.000 1.282) 3.933 5.894 ( -1.224 0.000 1.648) 2.052 5.906 ( 0.764 0.000 3.535) 3.616 6.153 ( 1.087 0.000 2.425) 2.658 6.240 ( 0.092 0.000 -2.863) 2.864 6.299 ( 8.572 0.000 -14.442) 16.795 6.318 ( -0.313 0.000 2.241) 2.263 6.441 ( 5.362 0.000 -13.061) 14.119 6.633 ( -0.936 0.000 -1.465) 1.739 6.739 ( 6.099 0.000 0.935) 6.170 6.861 ( -4.829 0.000 -3.042) 5.708 6.919 ( 3.715 0.000 -3.933) 5.410 7.153 ( -2.632 0.000 1.464) 3.012 7.476 ( -1.925 0.000 -4.735) 5.112 7.621 ( 0.054 0.000 1.595) 1.596 7.622 ( 1.670 0.000 2.977) 3.413 7.892 ( 9.370 0.000 7.830) 12.211 7.906 ( 4.608 0.000 2.783) 5.383 8.321 ( -0.364 0.000 6.688) 6.698 8.573 ( -3.376 0.000 -1.862) 3.856 8.841 ( -7.116 0.000 1.791) 7.338 8.909 ( 4.632 0.000 -0.477) 4.656 9.134 ( -4.315 0.000 -3.376) 5.479 9.136 ( -5.126 0.000 3.411) 6.157 9.937 ( -0.245 0.000 3.866) 3.874 9.950 ( 0.581 0.000 3.189) 3.242 10.238 ( 0.906 0.000 5.435) 5.509 10.307 ( 4.315 0.000 1.942) 4.732 12.825 ( 1.680 0.000 -3.033) 3.467 12.927 ( 0.400 0.000 -0.770) 0.867 13.022 ( -1.334 0.000 -8.927) 9.027 13.165 ( -3.343 0.000 -4.694) 5.763 14.364 ( 11.452 0.000 1.451) 11.543 14.424 ( 3.642 0.000 8.748) 9.475 14.593 ( -9.497 0.000 11.250) 14.723 14.679 ( -0.997 0.000 5.785) 5.870 16.882 ( -10.200 0.000 13.590) 16.992 17.126 ( -10.683 0.000 16.217) 19.419 17.424 ( 1.377 0.000 -11.500) 11.582 17.700 ( 1.277 0.000 -11.728) 11.798 20.871 ( -11.928 0.000 23.316) 26.190 21.380 ( 4.726 0.000 -4.954) 6.847 21.715 ( -11.849 0.000 -3.139) 12.258 22.055 ( 6.746 0.000 -23.058) 24.024 ======================= Grid point 189 (106/138) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.697 9.018 9.549) 13.153 1.918 ( -0.062 6.598 10.556) 12.448 2.072 ( -2.816 -1.363 -5.175) 6.047 2.154 ( -7.587 1.259 15.285) 17.111 2.288 ( -0.634 -5.059 10.837) 11.976 2.464 ( -3.467 -3.769 12.127) 13.164 2.732 ( 0.529 6.784 4.450) 8.131 2.924 ( 2.501 -2.030 -1.580) 3.588 3.230 ( -3.499 3.171 8.125) 9.397 3.261 ( -0.772 0.498 -3.406) 3.527 3.451 ( 3.379 -0.135 -3.705) 5.016 3.512 ( -5.434 0.849 -4.697) 7.232 3.554 ( 1.791 1.078 -2.167) 3.011 3.740 ( 3.205 5.380 -1.259) 6.388 3.854 ( 5.161 -4.371 -4.535) 8.143 3.877 ( 5.181 2.965 1.515) 6.158 4.140 ( -2.866 -3.245 -2.110) 4.817 4.296 ( 2.722 -5.072 -2.983) 6.483 4.312 ( 0.823 -5.900 1.855) 6.239 4.472 ( 2.158 -6.687 2.770) 7.553 4.660 ( -2.135 -3.147 1.287) 4.015 4.684 ( -3.179 -3.357 6.772) 8.199 4.932 ( 1.428 3.900 -2.903) 5.067 5.055 ( 1.857 -1.665 -5.649) 6.176 5.326 ( -0.144 -0.218 4.529) 4.536 5.361 ( -2.997 -0.186 4.889) 5.738 5.482 ( -3.091 -0.174 4.403) 5.383 5.514 ( -5.698 0.513 0.498) 5.742 5.771 ( -1.030 3.213 0.064) 3.375 5.900 ( -3.589 -0.356 0.926) 3.724 5.971 ( 2.479 3.524 1.839) 4.685 6.077 ( 0.410 -2.422 -2.696) 3.647 6.250 ( 1.754 -0.055 -3.098) 3.561 6.259 ( 3.335 -4.713 2.230) 6.190 6.425 ( 6.017 -0.021 -14.444) 15.647 6.471 ( 3.476 -1.048 -5.733) 6.786 6.623 ( -1.333 3.668 2.309) 4.535 6.731 ( -2.593 0.825 -2.930) 3.999 6.771 ( 2.054 -3.958 0.218) 4.465 6.820 ( -0.550 -5.271 -7.505) 9.188 7.228 ( -1.534 6.940 3.586) 7.961 7.358 ( -5.858 1.674 -2.466) 6.572 7.662 ( -2.556 3.000 1.689) 4.288 7.687 ( -0.892 2.663 -0.283) 2.823 8.000 ( 2.705 0.445 3.471) 4.423 8.032 ( 1.305 0.358 2.253) 2.628 8.441 ( 0.418 1.674 8.962) 9.126 8.571 ( 0.861 -2.042 2.678) 3.476 8.804 ( 0.312 4.910 2.326) 5.442 8.933 ( -5.961 2.124 -3.610) 7.285 9.035 ( -8.166 -1.470 0.390) 8.306 9.055 ( 6.211 -4.078 -0.016) 7.430 9.924 ( -1.449 -1.942 3.469) 4.231 9.933 ( -1.662 -2.295 3.317) 4.362 10.300 ( -1.944 2.882 4.339) 5.560 10.361 ( -0.448 0.365 2.030) 2.110 12.853 ( 2.700 1.030 -2.238) 3.655 12.916 ( -0.438 0.406 -2.296) 2.372 12.951 ( -0.130 -0.375 -3.745) 3.766 13.043 ( -3.058 -2.037 -4.941) 6.157 14.496 ( -9.123 1.891 6.932) 11.613 14.585 ( 3.227 -1.087 6.653) 7.474 14.653 ( 15.872 0.143 -0.236) 15.875 14.682 ( 3.215 -1.081 2.347) 4.125 16.870 ( -7.552 3.224 14.974) 17.077 17.037 ( -9.049 -3.453 16.139) 18.822 17.427 ( 3.094 4.738 -11.031) 12.397 17.618 ( 3.317 -3.028 -10.763) 11.663 20.898 ( -14.271 6.083 23.818) 28.424 21.266 ( -13.289 -9.267 10.004) 19.041 21.577 ( -1.565 8.213 -7.457) 11.203 21.907 ( 3.032 -5.748 -19.056) 20.133 ======================= Grid point 190 (107/138) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 5.359 7.280 4.142) 9.944 1.972 ( 7.177 9.492 5.543) 13.127 2.082 ( -0.118 0.304 6.482) 6.490 2.190 ( 3.644 -1.580 5.322) 6.641 2.420 ( 1.230 1.067 18.924) 18.994 2.531 ( -0.712 -7.473 10.709) 13.078 2.758 ( -0.050 3.765 -2.808) 4.697 2.920 ( -0.024 -4.503 -5.043) 6.760 3.135 ( -8.766 1.411 2.068) 9.117 3.246 ( -2.398 8.828 5.755) 10.807 3.414 ( 2.669 0.508 -6.873) 7.390 3.493 ( 3.019 -4.155 -1.626) 5.388 3.544 ( -0.114 1.692 -2.399) 2.938 3.692 ( -1.944 6.572 -11.044) 12.998 3.917 ( -4.126 -8.014 2.992) 9.497 3.985 ( -5.819 -4.374 -3.093) 7.910 4.012 ( 3.099 0.123 6.160) 6.897 4.226 ( 2.238 3.467 -15.914) 16.440 4.416 ( -2.000 -11.882 2.957) 12.406 4.472 ( 1.304 -3.083 4.664) 5.741 4.631 ( -2.392 -1.019 2.205) 3.409 4.686 ( -2.053 -2.071 5.352) 6.096 4.943 ( 2.508 2.797 -3.268) 4.979 5.024 ( -0.242 -2.257 -3.959) 4.563 5.348 ( -1.155 0.078 3.883) 4.052 5.408 ( 1.703 -0.226 6.911) 7.122 5.457 ( -1.347 1.972 1.326) 2.732 5.481 ( -1.511 -0.439 5.771) 5.981 5.735 ( -4.127 0.652 1.618) 4.481 5.833 ( -5.027 -2.069 1.360) 5.604 6.002 ( -0.005 1.451 -1.878) 2.373 6.072 ( 1.740 3.569 -0.379) 3.988 6.250 ( 1.813 2.166 -3.922) 4.834 6.334 ( 0.957 -5.296 1.700) 5.644 6.414 ( 4.646 -2.956 -10.813) 12.135 6.477 ( 4.318 -4.067 -9.886) 11.529 6.655 ( -0.559 1.689 4.359) 4.709 6.675 ( 0.311 2.145 -1.120) 2.440 6.776 ( 3.304 -2.358 -6.323) 7.514 6.804 ( 1.285 -3.047 -0.439) 3.336 7.231 ( -4.670 5.524 2.012) 7.508 7.245 ( -2.569 5.353 4.107) 7.219 7.633 ( -3.051 2.024 2.511) 4.440 7.661 ( -2.342 1.941 1.903) 3.588 7.983 ( -6.272 1.220 -0.611) 6.419 8.022 ( -3.126 0.258 0.990) 3.290 8.447 ( -5.906 0.111 5.763) 8.253 8.567 ( -5.297 -2.843 -0.970) 6.090 8.792 ( -1.552 1.529 1.877) 2.876 8.908 ( -6.457 -2.078 1.657) 6.983 8.933 ( 7.021 6.491 4.500) 10.568 9.201 ( 8.527 -4.184 -0.661) 9.522 9.917 ( -2.294 -1.727 3.015) 4.164 9.926 ( -2.076 -2.404 3.497) 4.724 10.270 ( -5.055 3.326 3.861) 7.178 10.339 ( -3.708 0.360 1.973) 4.216 12.858 ( -0.919 2.134 -3.451) 4.160 12.889 ( 2.792 1.361 -1.686) 3.534 12.971 ( -0.852 -2.231 -3.704) 4.408 12.986 ( 2.467 -2.411 1.537) 3.776 14.365 ( -9.170 3.396 3.102) 10.259 14.578 ( -3.855 -5.932 0.579) 7.098 14.815 ( 8.341 4.143 -0.307) 9.318 14.941 ( 16.294 -1.670 -5.017) 17.130 16.889 ( -4.455 2.806 15.918) 16.766 17.031 ( -6.611 -2.880 17.501) 18.928 17.422 ( 5.831 4.708 -9.889) 12.408 17.620 ( 5.904 -3.250 -9.300) 11.486 20.837 ( -14.935 4.226 26.103) 30.369 21.099 ( -16.708 -6.798 19.011) 26.207 21.527 ( 0.202 6.986 -4.774) 8.464 21.815 ( 1.226 -5.047 -12.742) 13.760 ======================= Grid point 191 (108/138) ======================= q-point: ( 0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.518 1.147 0.873) 2.093 2.119 ( 4.568 -3.267 -3.972) 6.878 2.257 ( 12.756 11.229 5.594) 17.891 2.292 ( 0.155 7.741 12.886) 15.033 2.489 ( -6.244 6.861 -5.280) 10.674 2.669 ( 8.441 -5.597 14.899) 18.015 2.700 ( -0.904 2.359 -3.961) 4.699 2.870 ( -2.406 -11.188 4.301) 12.225 3.043 ( -5.455 1.491 4.223) 7.058 3.237 ( -4.155 8.413 3.644) 10.066 3.406 ( -3.620 -7.551 -5.410) 9.969 3.491 ( -4.100 3.695 -6.914) 8.847 3.552 ( 7.132 2.826 -3.398) 8.390 3.639 ( 4.958 4.778 -3.457) 7.705 3.677 ( -9.314 -2.823 -6.730) 11.833 3.959 ( -4.734 -15.814 4.791) 17.189 4.047 ( -1.419 -0.243 -3.176) 3.487 4.160 ( 3.561 6.147 -12.330) 14.230 4.284 ( -9.469 -9.563 0.520) 13.468 4.539 ( 2.664 -5.025 -6.118) 8.353 4.650 ( 0.011 1.638 8.749) 8.901 4.728 ( 0.922 1.444 8.793) 8.959 4.974 ( 3.189 2.263 -1.800) 4.304 5.005 ( 0.590 -2.324 -1.129) 2.650 5.337 ( -0.789 0.609 -0.785) 1.269 5.454 ( -0.847 -2.731 3.546) 4.555 5.508 ( 2.575 0.935 3.400) 4.366 5.543 ( 2.847 0.849 7.791) 8.338 5.671 ( -7.045 -0.719 7.929) 10.631 5.755 ( -4.920 -4.765 5.054) 8.512 5.987 ( -0.464 4.497 -0.802) 4.591 6.100 ( 2.082 4.599 -1.028) 5.152 6.245 ( 0.562 2.267 -3.493) 4.202 6.310 ( -1.738 -2.469 -1.462) 3.354 6.419 ( 2.685 -7.942 -7.538) 11.274 6.475 ( 5.718 -3.879 -12.953) 14.680 6.633 ( -1.894 2.462 2.002) 3.695 6.721 ( 2.195 -0.478 0.001) 2.247 6.799 ( 2.623 1.867 -5.151) 6.074 6.838 ( 2.705 -0.611 -0.594) 2.836 7.159 ( -4.188 5.234 3.077) 7.376 7.268 ( -2.464 2.821 7.291) 8.196 7.590 ( -4.211 1.985 2.975) 5.525 7.632 ( -4.139 1.568 3.439) 5.605 7.836 ( -8.757 -0.097 -0.683) 8.784 7.890 ( -10.331 -1.246 -2.587) 10.722 8.397 ( -3.407 1.062 3.291) 4.854 8.442 ( -5.104 1.035 2.810) 5.917 8.806 ( -2.245 0.068 2.086) 3.065 8.894 ( 2.891 -2.901 4.787) 6.300 9.081 ( 4.741 5.276 4.803) 8.566 9.316 ( 5.436 -3.552 -1.893) 6.764 9.887 ( -3.598 -1.147 2.403) 4.476 9.912 ( -2.629 -3.004 3.132) 5.074 10.190 ( -6.800 3.680 2.788) 8.219 10.266 ( -5.950 0.142 1.307) 6.093 12.837 ( 1.130 2.008 -2.223) 3.202 12.924 ( 1.943 1.905 -0.432) 2.755 12.945 ( 0.833 -2.245 -2.908) 3.767 13.047 ( 1.846 -2.843 2.981) 4.513 14.251 ( -5.138 4.218 1.451) 6.804 14.511 ( -2.504 -7.052 -2.024) 7.752 14.914 ( 4.694 6.146 -4.045) 8.727 15.123 ( 10.755 -3.029 -9.830) 14.882 16.954 ( -2.904 2.554 16.298) 16.751 17.082 ( -4.114 -2.554 18.722) 19.338 17.472 ( 7.935 4.532 -8.599) 12.547 17.671 ( 7.501 -3.368 -8.296) 11.680 20.790 ( -13.744 3.622 26.165) 29.776 21.013 ( -13.254 -5.624 26.084) 29.793 21.490 ( -0.749 6.248 -3.321) 7.115 21.760 ( 0.945 -4.850 -5.598) 7.466 ======================= Grid point 192 (109/138) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -4.887 0.072 -1.513) 5.116 2.099 ( -2.917 -3.193 -6.428) 7.747 2.302 ( -1.893 6.999 -3.790) 8.182 2.316 ( -5.850 12.918 4.214) 14.794 2.552 ( 2.497 3.125 -4.288) 5.864 2.663 ( 11.992 10.011 2.206) 15.777 2.811 ( -7.770 -13.958 8.446) 18.070 2.951 ( -6.274 0.535 8.319) 10.433 3.016 ( -4.686 -5.983 -7.936) 10.988 3.103 ( 3.638 -2.502 6.827) 8.130 3.274 ( -5.412 0.704 -3.326) 6.391 3.372 ( -1.871 4.709 -5.886) 7.766 3.522 ( -2.074 -5.817 -5.406) 8.208 3.639 ( 3.617 6.984 -3.173) 8.481 3.681 ( -4.321 7.191 0.481) 8.403 3.859 ( -2.678 -5.933 -8.067) 10.366 4.025 ( 1.125 -5.543 -2.297) 6.104 4.158 ( 3.506 0.980 -3.152) 4.815 4.204 ( 0.830 -9.938 4.562) 10.967 4.513 ( 1.912 -4.937 -8.354) 9.890 4.735 ( 1.412 3.199 7.857) 8.600 4.807 ( 0.584 0.697 5.443) 5.518 5.014 ( 1.387 2.257 -0.822) 2.774 5.025 ( 2.172 -3.425 0.420) 4.077 5.342 ( 2.056 0.930 0.377) 2.288 5.465 ( -0.043 -4.532 3.504) 5.729 5.562 ( -1.406 1.037 4.659) 4.976 5.609 ( -1.113 -2.882 6.039) 6.784 5.689 ( 0.447 0.952 12.624) 12.667 5.774 ( -0.823 -3.261 10.436) 10.964 5.974 ( -0.113 6.632 0.410) 6.646 6.136 ( 2.287 2.787 -0.795) 3.692 6.218 ( -0.194 1.689 -2.482) 3.009 6.279 ( -1.117 -3.648 -0.478) 3.845 6.382 ( 0.370 -6.534 -7.839) 10.212 6.467 ( 4.110 -4.063 -10.682) 12.145 6.618 ( -1.179 2.783 -0.090) 3.024 6.744 ( -0.445 -1.845 -0.424) 1.944 6.768 ( 0.692 5.332 -8.687) 10.216 6.831 ( -1.753 1.616 -5.339) 5.847 7.121 ( -3.686 2.964 3.809) 6.073 7.253 ( -4.484 0.153 4.968) 6.694 7.524 ( -5.885 2.091 1.920) 6.534 7.538 ( -8.305 1.485 1.290) 8.534 7.703 ( -6.542 -0.159 0.548) 6.567 7.726 ( -4.257 0.070 2.025) 4.715 8.382 ( 0.281 2.035 2.681) 3.377 8.468 ( 0.453 -1.269 9.423) 9.519 8.808 ( 0.377 2.505 3.201) 4.082 8.988 ( 3.017 -4.740 3.882) 6.829 9.171 ( 2.012 4.814 3.653) 6.369 9.364 ( 2.145 -2.306 -2.104) 3.788 9.833 ( -4.130 -0.674 1.897) 4.595 9.877 ( -3.915 -3.714 2.295) 5.864 10.082 ( -6.846 3.668 0.885) 7.817 10.155 ( -7.079 -0.072 0.096) 7.080 12.858 ( 2.692 1.677 -1.579) 3.543 12.942 ( 0.727 1.081 -1.175) 1.755 12.956 ( 1.990 -0.766 -0.777) 2.270 13.084 ( -0.285 -2.907 2.315) 3.727 14.226 ( 0.208 4.014 3.521) 5.343 14.474 ( 0.002 -6.621 -1.484) 6.785 14.918 ( 0.545 6.638 -6.294) 9.163 15.162 ( 3.995 -3.832 -12.839) 13.981 17.033 ( -3.106 2.706 16.326) 16.837 17.165 ( -3.916 -2.495 18.743) 19.310 17.549 ( 7.965 4.279 -8.272) 12.254 17.742 ( 7.576 -3.335 -8.060) 11.554 20.776 ( -10.914 4.188 25.654) 28.192 21.034 ( -8.834 -6.682 27.339) 29.497 21.458 ( -0.299 7.303 -1.601) 7.482 21.758 ( 2.225 -5.263 -2.155) 6.107 ======================= Grid point 193 (110/138) ======================= q-point: (-0.56 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -4.602 1.303 -0.183) 4.786 1.979 ( -6.239 -3.178 -4.344) 8.240 2.199 ( -10.153 7.389 1.638) 12.664 2.223 ( -3.358 8.972 -1.833) 9.753 2.530 ( 0.521 3.070 -0.284) 3.127 2.643 ( -9.886 -3.225 -4.558) 11.354 2.783 ( -8.196 -11.948 -1.244) 14.542 2.835 ( -2.463 -0.598 0.120) 2.538 2.935 ( 1.339 7.995 0.836) 8.149 3.142 ( -4.894 7.418 1.802) 9.068 3.231 ( -0.898 -2.403 -0.928) 2.728 3.407 ( 6.632 -4.605 3.001) 8.613 3.510 ( 3.265 -1.009 -7.671) 8.398 3.556 ( -2.972 -3.026 -3.334) 5.395 3.686 ( 4.662 4.765 2.996) 7.309 3.787 ( -1.762 5.897 -4.673) 7.727 4.007 ( 0.498 1.692 -3.880) 4.262 4.220 ( 2.428 -6.391 4.837) 8.375 4.307 ( 3.888 -6.660 1.208) 7.805 4.482 ( 1.950 -5.681 -8.742) 10.606 4.781 ( -2.364 1.222 3.540) 4.429 4.848 ( -0.610 -1.654 4.357) 4.700 5.005 ( 0.509 2.203 -1.339) 2.628 5.070 ( 1.702 -2.606 0.512) 3.154 5.427 ( 4.700 1.859 4.261) 6.611 5.539 ( 3.623 -3.439 6.941) 8.552 5.557 ( -2.951 -1.299 6.192) 6.981 5.636 ( -2.532 -5.701 6.162) 8.768 5.796 ( 1.470 1.375 9.609) 9.817 5.845 ( -0.977 0.839 8.234) 8.334 6.010 ( 3.339 4.035 1.614) 5.480 6.118 ( -2.192 -0.993 -2.775) 3.673 6.221 ( -0.826 -3.031 -0.838) 3.252 6.261 ( -0.692 -4.867 0.982) 5.013 6.351 ( 3.829 1.078 -3.477) 5.283 6.450 ( 1.429 -2.292 -6.890) 7.400 6.568 ( -3.437 1.954 -3.318) 5.162 6.649 ( -5.916 -0.184 -1.384) 6.078 6.724 ( -1.868 3.182 -5.799) 6.873 6.745 ( 3.284 3.465 -13.282) 14.114 7.101 ( -0.654 2.875 2.579) 3.917 7.192 ( -5.814 0.978 2.531) 6.415 7.419 ( -3.633 1.920 0.918) 4.211 7.456 ( -3.067 0.348 0.834) 3.198 7.658 ( -1.414 1.646 4.017) 4.565 7.710 ( -1.346 1.124 3.589) 3.995 8.459 ( 5.313 0.503 4.085) 6.721 8.537 ( -1.743 -2.710 7.298) 7.978 8.868 ( 2.497 2.989 5.415) 6.671 9.053 ( 1.441 -5.043 2.535) 5.825 9.224 ( 1.113 4.476 3.046) 5.527 9.367 ( -0.082 -0.798 -2.036) 2.188 9.787 ( -2.529 -0.641 2.118) 3.360 9.820 ( -3.989 -3.124 2.160) 5.509 9.973 ( -5.526 2.843 0.092) 6.216 10.033 ( -5.988 -0.251 -0.592) 6.023 12.900 ( 3.200 1.246 -1.375) 3.699 12.936 ( -0.050 1.754 -1.420) 2.258 12.995 ( 2.874 -1.146 -0.218) 3.102 13.076 ( -1.289 -2.406 0.102) 2.731 14.300 ( 2.613 2.841 7.219) 8.186 14.484 ( 1.137 -5.024 0.788) 5.211 14.842 ( -3.298 5.757 -6.163) 9.056 15.068 ( -2.481 -3.811 -13.828) 14.557 17.091 ( -5.065 2.871 15.820) 16.857 17.227 ( -5.746 -2.520 18.131) 19.186 17.610 ( 6.358 4.215 -8.704) 11.573 17.800 ( 6.232 -3.308 -8.444) 11.003 20.810 ( -8.070 5.112 24.654) 26.440 21.120 ( -4.130 -8.417 22.045) 23.956 21.468 ( 2.017 8.832 1.209) 9.140 21.803 ( 5.520 -5.726 -3.762) 8.799 ======================= Grid point 194 (111/138) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -10.314 -0.668 2.426) 10.617 1.865 ( -1.291 -2.586 3.480) 4.524 2.011 ( -11.844 7.077 3.450) 14.222 2.214 ( 0.341 3.772 3.251) 4.991 2.498 ( -3.566 5.849 -1.861) 7.098 2.576 ( 2.048 1.227 6.166) 6.612 2.681 ( -2.728 -9.762 4.999) 11.302 2.752 ( -2.129 -2.505 -9.014) 9.594 2.924 ( -2.514 3.415 7.537) 8.648 3.054 ( -2.695 6.199 -4.690) 8.227 3.275 ( 0.072 -1.992 3.314) 3.867 3.440 ( -0.457 0.029 -3.263) 3.295 3.508 ( 1.771 2.910 2.164) 4.036 3.557 ( -0.219 2.784 -3.949) 4.837 3.725 ( 3.168 2.493 -6.156) 7.359 3.840 ( 7.738 -2.727 0.595) 8.226 3.999 ( 0.341 3.684 0.589) 3.746 4.295 ( 0.933 -8.350 2.210) 8.688 4.312 ( -1.167 -1.092 -2.762) 3.191 4.430 ( -0.552 -6.403 -7.788) 10.097 4.731 ( -6.202 0.081 4.654) 7.754 4.825 ( -2.827 -6.245 1.388) 6.994 5.038 ( 0.913 2.217 1.278) 2.717 5.078 ( -0.201 -0.863 -1.496) 1.739 5.489 ( -3.802 -0.463 4.724) 6.081 5.560 ( -1.937 -0.435 4.159) 4.608 5.618 ( -0.864 -2.976 5.933) 6.693 5.705 ( 4.517 -3.520 6.568) 8.714 5.852 ( -1.045 -0.911 1.723) 2.212 5.863 ( -2.115 0.349 6.525) 6.868 6.039 ( -0.741 1.536 -1.832) 2.503 6.130 ( 5.040 -3.506 -0.053) 6.140 6.199 ( -0.731 -2.633 2.433) 3.659 6.242 ( -0.531 -4.825 -0.158) 4.856 6.378 ( -3.814 1.810 -0.385) 4.239 6.428 ( 0.416 -0.851 -2.394) 2.575 6.515 ( 3.178 4.423 0.559) 5.475 6.596 ( 1.980 1.309 -2.741) 3.626 6.679 ( 2.476 3.346 -7.533) 8.607 6.696 ( 3.147 2.240 -11.782) 12.399 7.131 ( -1.628 1.764 1.807) 3.005 7.154 ( 3.739 0.956 2.971) 4.870 7.420 ( 0.265 1.558 1.033) 1.888 7.443 ( 2.925 1.945 1.067) 3.671 7.684 ( -0.160 1.986 4.432) 4.859 7.715 ( -1.033 2.164 2.598) 3.535 8.506 ( -5.058 0.493 2.357) 5.601 8.617 ( 7.963 -3.072 2.813) 8.987 8.958 ( 1.652 0.753 5.251) 5.556 9.080 ( 0.225 -4.576 0.408) 4.600 9.252 ( -0.866 3.499 2.629) 4.461 9.315 ( -3.869 1.187 -2.720) 4.876 9.780 ( -1.866 -1.208 3.336) 4.009 9.782 ( -1.445 -1.097 3.061) 3.558 9.932 ( 0.541 1.213 3.012) 3.291 9.962 ( -1.282 -0.005 1.159) 1.728 12.907 ( -0.628 1.402 -2.074) 2.581 12.950 ( 1.947 0.695 -1.466) 2.535 13.044 ( 2.309 -1.469 -0.867) 2.871 13.069 ( 2.790 -1.032 -1.147) 3.188 14.396 ( 0.296 1.778 7.773) 7.979 14.509 ( -0.235 -3.050 2.057) 3.687 14.720 ( -5.913 3.565 -2.125) 7.224 14.870 ( -7.799 -2.706 -11.508) 14.163 17.101 ( -7.680 2.983 15.184) 17.275 17.245 ( -8.189 -2.690 17.358) 19.380 17.631 ( 4.131 4.291 -9.406) 11.133 17.822 ( 4.144 -3.315 -9.275) 10.686 20.873 ( -6.472 6.329 22.892) 24.617 21.218 ( -0.206 -7.559 11.516) 13.776 21.560 ( 6.055 7.160 4.234) 10.289 21.887 ( 9.361 -5.997 -8.887) 14.233 ======================= Grid point 195 (112/138) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -4.614 2.409 9.695) 11.004 1.870 ( -8.069 7.759 7.891) 13.696 1.926 ( -1.093 -6.913 11.425) 13.398 2.224 ( -5.107 -3.856 8.050) 10.284 2.447 ( -3.205 7.781 3.549) 9.133 2.635 ( 2.068 -2.741 -3.272) 4.743 2.721 ( -0.247 8.349 4.491) 9.484 2.794 ( 8.788 -2.339 3.598) 9.780 2.966 ( -0.058 -4.559 7.521) 8.795 3.019 ( 0.947 2.532 2.948) 4.000 3.246 ( -2.692 -2.529 -1.613) 4.030 3.448 ( -4.752 10.790 10.251) 15.623 3.478 ( 4.291 4.832 -4.869) 8.091 3.569 ( 4.528 3.799 -5.008) 7.747 3.775 ( 4.292 -4.278 -3.323) 6.911 3.924 ( 4.731 -0.500 -7.716) 9.064 4.039 ( 1.118 -2.358 6.536) 7.038 4.202 ( -1.256 -0.430 -14.161) 14.223 4.301 ( -4.158 -8.539 2.203) 9.750 4.358 ( -1.260 -5.792 -4.357) 7.357 4.671 ( -4.959 -0.777 6.627) 8.313 4.795 ( -3.501 -7.772 4.745) 9.756 5.020 ( -1.187 1.708 -2.567) 3.304 5.062 ( -0.933 1.363 -0.173) 1.660 5.417 ( -4.987 -1.157 -0.504) 5.144 5.516 ( -5.007 -3.502 3.834) 7.214 5.633 ( -4.523 1.199 3.873) 6.074 5.764 ( 1.254 0.079 1.941) 2.312 5.810 ( -3.596 -3.535 1.854) 5.373 5.945 ( 4.151 -3.866 2.307) 6.124 6.036 ( -0.831 2.426 1.272) 2.863 6.144 ( -4.839 -0.367 -0.450) 4.874 6.156 ( -1.388 -2.913 -0.064) 3.228 6.265 ( 0.047 -2.375 0.005) 2.376 6.377 ( 6.094 4.609 -3.528) 8.416 6.479 ( 6.441 -1.277 -0.736) 6.607 6.570 ( 3.088 3.305 -0.985) 4.629 6.595 ( 3.591 2.899 -12.846) 13.650 6.690 ( 3.095 0.159 -0.707) 3.179 6.743 ( 6.010 -1.821 2.647) 6.815 7.157 ( 2.698 1.196 0.974) 3.107 7.262 ( 4.324 -2.961 4.326) 6.796 7.471 ( 4.694 4.938 2.788) 7.361 7.542 ( 6.032 2.679 0.799) 6.648 7.708 ( -0.866 2.630 3.219) 4.246 7.728 ( 1.655 1.724 1.638) 2.897 8.429 ( -4.346 3.997 0.822) 5.961 8.734 ( 3.223 -7.379 -1.285) 8.154 8.967 ( -3.321 0.201 -1.608) 3.696 9.047 ( -2.964 -1.579 -3.347) 4.742 9.207 ( -4.637 3.103 2.751) 6.221 9.255 ( -1.924 1.362 1.798) 2.964 9.796 ( 0.809 -0.908 4.981) 5.127 9.815 ( 0.912 -1.664 4.708) 5.076 10.015 ( 5.057 0.779 4.780) 7.002 10.032 ( 5.423 0.616 4.696) 7.200 12.874 ( -0.704 1.198 -2.762) 3.092 12.943 ( -0.825 -1.116 -1.574) 2.098 13.085 ( 4.750 0.498 -4.620) 6.645 13.140 ( 4.715 -0.994 -0.493) 4.843 14.394 ( -5.016 1.153 2.973) 5.944 14.456 ( -5.993 -1.353 -5.336) 8.138 14.647 ( -5.005 0.760 8.995) 10.322 14.683 ( -5.955 -0.692 0.967) 6.073 17.064 ( -9.773 3.016 14.602) 17.828 17.216 ( -10.265 -2.944 16.569) 19.712 17.607 ( 2.089 4.419 -10.249) 11.355 17.800 ( 2.204 -3.329 -10.336) 11.081 20.934 ( -6.508 7.616 20.917) 23.192 21.290 ( 1.703 -3.883 3.685) 5.618 21.718 ( 8.182 1.824 0.577) 8.403 21.977 ( 11.141 -5.946 -15.189) 19.753 ======================= Grid point 196 (113/138) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -1.131 1.365 11.383) 11.520 1.858 ( -4.349 5.241 13.686) 15.287 1.985 ( -6.270 -2.338 19.287) 20.415 2.167 ( -3.409 -3.035 2.866) 5.389 2.436 ( -3.385 6.242 5.333) 8.881 2.618 ( -4.532 1.160 -5.136) 6.947 2.725 ( -1.671 3.184 8.622) 9.342 2.906 ( -4.674 1.875 3.539) 6.155 3.008 ( 7.238 -2.985 6.285) 10.040 3.152 ( 7.045 -4.473 -0.306) 8.350 3.215 ( -3.198 5.623 10.374) 12.226 3.529 ( 5.834 8.510 5.957) 11.914 3.538 ( 4.131 7.170 -8.291) 11.714 3.637 ( 7.708 -2.970 -1.148) 8.340 3.796 ( -1.073 -4.023 0.578) 4.204 3.950 ( 6.530 1.214 -7.407) 9.949 4.052 ( -0.658 -0.646 -14.082) 14.112 4.124 ( 3.357 -3.985 5.511) 7.584 4.277 ( -2.037 -8.545 2.630) 9.170 4.293 ( 0.443 -8.775 -5.128) 10.173 4.663 ( -2.790 -0.932 7.656) 8.202 4.765 ( -4.594 -7.466 5.025) 10.104 4.987 ( 0.281 2.781 -3.907) 4.804 5.044 ( -0.701 2.515 -0.109) 2.613 5.338 ( -2.558 -0.699 -1.516) 3.054 5.461 ( -4.028 -4.575 2.229) 6.490 5.570 ( -4.953 1.714 3.390) 6.242 5.745 ( -3.303 -6.531 -0.171) 7.321 5.806 ( -0.902 2.303 2.069) 3.225 5.972 ( -4.334 6.743 -1.022) 8.081 5.986 ( -0.494 0.948 -1.824) 2.114 6.055 ( -4.565 -3.719 5.594) 8.122 6.171 ( 2.453 -2.390 -1.568) 3.767 6.272 ( -0.131 -2.319 -0.170) 2.328 6.425 ( 6.705 5.028 -12.982) 15.452 6.517 ( 5.887 0.464 -18.670) 19.581 6.586 ( 1.194 2.092 3.953) 4.629 6.643 ( 4.036 0.232 0.937) 4.150 6.778 ( 3.541 -2.802 2.409) 5.118 6.860 ( 3.792 -3.123 2.102) 5.343 7.210 ( 1.663 2.542 1.017) 3.203 7.368 ( 4.144 -4.432 3.742) 7.129 7.593 ( 4.477 5.056 3.729) 7.714 7.664 ( 7.123 3.245 1.424) 7.956 7.726 ( 0.867 2.455 4.177) 4.922 7.801 ( 4.811 0.034 0.695) 4.861 8.378 ( -2.458 5.468 1.792) 6.258 8.677 ( -5.547 -6.139 -5.674) 10.032 8.874 ( -2.176 1.386 -2.117) 3.337 8.960 ( -4.797 -0.407 -0.392) 4.830 9.167 ( -3.416 1.537 2.442) 4.472 9.234 ( -2.473 0.930 1.154) 2.883 9.867 ( 1.641 -1.481 5.058) 5.519 9.875 ( 1.446 -1.734 4.459) 4.998 10.159 ( 5.189 1.094 5.554) 7.679 10.183 ( 7.168 0.649 4.098) 8.282 12.844 ( -0.012 1.026 -2.936) 3.110 12.916 ( -0.522 -1.729 -1.458) 2.321 13.105 ( 2.416 1.604 -7.965) 8.477 13.195 ( 2.052 -1.579 -3.213) 4.126 14.306 ( -2.834 0.822 -2.769) 4.047 14.344 ( -2.454 -0.495 4.983) 5.576 14.642 ( -5.987 0.228 11.798) 13.232 14.655 ( -3.219 -0.135 7.910) 8.541 16.994 ( -10.872 3.028 14.039) 18.013 17.154 ( -11.122 -3.272 15.927) 19.699 17.549 ( 1.011 4.602 -10.989) 11.957 17.741 ( 1.063 -3.243 -11.296) 11.800 20.966 ( -8.422 8.312 19.975) 23.217 21.338 ( 1.562 -2.369 0.997) 3.008 21.801 ( 3.069 -1.020 -7.077) 7.781 22.022 ( 9.596 -5.861 -20.209) 23.126 ======================= Grid point 197 (114/138) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -4.881 4.367 9.875) 11.850 1.850 ( -4.154 6.083 10.088) 12.492 2.036 ( -4.830 -3.784 21.686) 22.537 2.212 ( -0.597 -5.718 6.497) 8.676 2.357 ( -8.867 4.827 -2.384) 10.373 2.466 ( -5.518 2.528 2.766) 6.671 2.740 ( -5.900 7.316 6.955) 11.692 2.866 ( 0.984 -1.048 4.645) 4.862 3.195 ( 1.438 0.044 7.192) 7.335 3.228 ( 5.248 -0.122 -1.962) 5.604 3.332 ( 4.612 -0.473 15.177) 15.869 3.518 ( 3.786 5.139 -7.811) 10.087 3.646 ( 0.276 2.160 -1.561) 2.679 3.704 ( -0.180 -0.379 -4.279) 4.299 3.761 ( 5.637 -1.993 -6.901) 9.131 3.917 ( 0.900 2.259 -12.837) 13.065 4.094 ( 6.583 -1.558 1.782) 6.995 4.234 ( 0.601 -8.792 3.020) 9.315 4.311 ( 7.260 -5.567 2.093) 9.386 4.326 ( 3.143 -7.177 3.690) 8.661 4.674 ( -2.404 -1.135 5.813) 6.392 4.714 ( -4.729 -5.522 3.556) 8.093 4.953 ( -0.653 3.673 -3.561) 5.157 5.046 ( 2.149 0.932 -2.654) 3.540 5.309 ( -0.435 -0.589 0.541) 0.911 5.406 ( -4.205 -3.073 2.169) 5.641 5.516 ( -4.201 1.074 3.464) 5.550 5.640 ( -7.554 -3.169 -0.920) 8.243 5.789 ( -1.602 3.215 0.709) 3.661 5.928 ( -0.451 3.853 0.874) 3.977 5.952 ( -2.389 3.064 1.423) 4.138 6.061 ( 1.151 -5.960 1.265) 6.201 6.207 ( 2.276 -2.721 -0.287) 3.559 6.253 ( -0.067 -0.844 -2.159) 2.320 6.430 ( 6.771 3.572 -14.894) 16.746 6.473 ( 3.401 1.816 -11.269) 11.910 6.632 ( 0.207 1.090 1.297) 1.707 6.713 ( 3.070 -1.984 1.684) 4.025 6.795 ( -1.608 -3.366 -1.677) 4.090 6.883 ( -0.134 -3.294 -4.108) 5.267 7.228 ( -0.565 6.097 1.735) 6.364 7.430 ( -0.298 -3.096 0.439) 3.141 7.669 ( 1.249 3.752 2.270) 4.559 7.708 ( -0.686 4.249 -1.333) 4.505 7.889 ( 8.327 -0.064 5.789) 10.141 7.900 ( 5.671 -0.528 3.899) 6.902 8.376 ( -0.389 5.094 4.659) 6.914 8.562 ( -2.435 -1.580 -1.093) 3.101 8.841 ( -3.415 0.526 0.854) 3.559 8.914 ( 1.961 -0.388 0.417) 2.042 9.102 ( -4.976 0.023 -0.684) 5.023 9.166 ( -5.895 0.271 -0.295) 5.909 9.912 ( -0.421 -1.786 4.100) 4.492 9.923 ( 0.003 -2.099 3.427) 4.019 10.265 ( 1.915 2.164 4.892) 5.682 10.314 ( 3.999 0.291 2.531) 4.742 12.834 ( 1.500 0.973 -2.664) 3.208 12.908 ( 0.631 -1.853 -0.775) 2.106 13.040 ( -1.653 1.924 -8.664) 9.027 13.145 ( -2.973 -1.916 -5.632) 6.650 14.375 ( 10.125 1.004 2.463) 10.469 14.419 ( 4.980 -0.587 7.436) 8.969 14.604 ( -8.315 1.124 10.365) 13.336 14.666 ( -2.427 -1.195 6.661) 7.190 16.915 ( -10.268 3.187 14.024) 17.671 17.086 ( -10.561 -3.594 15.661) 19.228 17.479 ( 1.352 4.732 -11.311) 12.335 17.668 ( 1.339 -3.048 -11.598) 12.066 20.952 ( -11.645 7.806 21.083) 25.319 21.351 ( -2.344 -5.088 2.649) 6.197 21.713 ( -4.454 2.309 -9.386) 10.643 21.992 ( 6.166 -6.008 -21.863) 23.497 ======================= Grid point 198 (115/138) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 3.069 -8.412 7.621) 11.758 1.930 ( 3.069 8.412 7.621) 11.758 2.082 ( -2.852 -8.090 7.684) 11.516 2.082 ( -2.852 8.090 7.684) 11.516 2.353 ( -7.637 -8.130 12.433) 16.703 2.353 ( -7.637 8.130 12.433) 16.703 2.842 ( 1.226 -5.038 -1.120) 5.305 2.842 ( 1.226 5.038 -1.120) 5.305 3.325 ( 2.057 -3.490 -3.936) 5.649 3.325 ( 2.057 3.490 -3.936) 5.649 3.427 ( -1.978 -5.309 4.232) 7.072 3.427 ( -1.978 5.309 4.232) 7.072 3.658 ( 0.737 -8.469 -4.140) 9.456 3.658 ( 0.737 8.469 -4.140) 9.456 3.956 ( 0.117 -12.463 1.970) 12.619 3.956 ( 0.117 12.463 1.970) 12.619 4.064 ( 3.900 -11.889 -0.009) 12.513 4.064 ( 3.900 11.889 -0.009) 12.513 4.353 ( 3.437 -5.243 -3.004) 6.952 4.353 ( 3.437 5.243 -3.004) 6.952 4.639 ( -3.423 -1.272 4.910) 6.119 4.639 ( -3.423 1.272 4.910) 6.119 5.005 ( 1.421 -3.198 -5.154) 6.230 5.005 ( 1.421 3.198 -5.154) 6.230 5.341 ( -1.090 -1.347 5.263) 5.541 5.341 ( -1.090 1.347 5.263) 5.541 5.493 ( -4.186 -1.422 3.260) 5.493 5.493 ( -4.186 1.422 3.260) 5.493 5.854 ( -2.537 -4.119 -1.849) 5.179 5.854 ( -2.537 4.119 -1.849) 5.179 6.044 ( 2.151 -4.135 3.513) 5.837 6.044 ( 2.151 4.135 3.513) 5.837 6.222 ( 1.431 -3.017 -0.333) 3.356 6.222 ( 1.431 3.017 -0.333) 3.356 6.432 ( 3.236 -1.450 -12.069) 12.579 6.432 ( 3.236 1.450 -12.069) 12.579 6.699 ( -0.099 -3.102 0.682) 3.178 6.699 ( -0.099 3.102 0.682) 3.178 6.754 ( -0.202 -1.427 -3.883) 4.141 6.754 ( -0.202 1.427 -3.883) 4.141 7.342 ( -2.582 -3.518 0.793) 4.435 7.342 ( -2.582 3.518 0.793) 4.435 7.708 ( -2.337 -0.900 0.602) 2.576 7.708 ( -2.337 0.900 0.602) 2.576 8.020 ( 2.896 -1.311 3.292) 4.577 8.020 ( 2.896 1.311 3.292) 4.577 8.505 ( -0.774 -3.983 3.874) 5.610 8.505 ( -0.774 3.983 3.874) 5.610 8.930 ( 3.567 -6.539 1.916) 7.691 8.930 ( 3.567 6.539 1.916) 7.691 8.994 ( -6.830 -2.716 -1.919) 7.597 8.994 ( -6.830 2.716 -1.919) 7.597 9.903 ( -1.649 -0.243 3.625) 3.990 9.903 ( -1.649 0.243 3.625) 3.990 10.350 ( -1.014 -1.622 3.247) 3.768 10.350 ( -1.014 1.622 3.247) 3.768 12.885 ( 2.303 -2.094 -0.859) 3.229 12.885 ( 2.303 2.094 -0.859) 3.229 12.989 ( -2.774 -2.923 -5.876) 7.124 12.989 ( -2.774 2.923 -5.876) 7.124 14.545 ( -4.482 -2.612 6.433) 8.264 14.545 ( -4.482 2.612 6.433) 8.264 14.662 ( 11.027 -0.787 1.318) 11.134 14.662 ( 11.027 0.787 1.318) 11.134 16.953 ( -8.283 -4.565 15.700) 18.329 16.953 ( -8.283 4.565 15.700) 18.329 17.533 ( 3.170 -5.168 -10.932) 12.500 17.533 ( 3.170 5.168 -10.932) 12.500 21.065 ( -14.793 -9.896 18.175) 25.438 21.065 ( -14.793 9.896 18.175) 25.438 21.754 ( 1.852 -8.837 -14.599) 17.166 21.754 ( 1.852 8.837 -14.599) 17.166 ======================= Grid point 200 (116/138) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 1.389 -4.786 -1.143) 5.113 2.030 ( 1.389 4.786 -1.143) 5.113 2.157 ( 9.441 -5.389 9.271) 14.287 2.157 ( 9.441 5.389 9.271) 14.287 2.413 ( -2.245 -1.759 18.756) 18.971 2.413 ( -2.245 1.759 18.756) 18.971 2.834 ( -0.210 -3.877 -5.695) 6.893 2.834 ( -0.210 3.877 -5.695) 6.893 3.258 ( -3.836 -9.709 -1.134) 10.501 3.258 ( -3.836 9.709 -1.134) 10.501 3.469 ( 4.426 -4.960 -1.563) 6.829 3.469 ( 4.426 4.960 -1.563) 6.829 3.626 ( -4.009 -12.600 3.552) 13.691 3.626 ( -4.009 12.600 3.552) 13.691 3.844 ( -7.626 -7.825 -8.802) 14.031 3.844 ( -7.626 7.825 -8.802) 14.031 4.174 ( 1.574 -10.700 3.663) 11.419 4.174 ( 1.574 10.700 3.663) 11.419 4.357 ( 3.573 -7.605 -7.048) 10.967 4.357 ( 3.573 7.605 -7.048) 10.967 4.634 ( -1.904 -1.679 6.706) 7.170 4.634 ( -1.904 1.679 6.706) 7.170 4.989 ( 1.397 -1.684 -4.198) 4.734 4.989 ( 1.397 1.684 -4.198) 4.734 5.376 ( -0.610 -2.250 5.283) 5.774 5.376 ( -0.610 2.250 5.283) 5.774 5.473 ( -0.986 -0.263 4.484) 4.598 5.473 ( -0.986 0.263 4.484) 4.598 5.771 ( -5.686 -3.040 -0.539) 6.470 5.771 ( -5.686 3.040 -0.539) 6.470 6.100 ( 1.026 -5.541 2.536) 6.179 6.100 ( 1.026 5.541 2.536) 6.179 6.250 ( 1.569 -3.045 -0.845) 3.528 6.250 ( 1.569 3.045 -0.845) 3.528 6.404 ( 4.179 -1.750 -11.352) 12.223 6.404 ( 4.179 1.750 -11.352) 12.223 6.682 ( -0.975 -1.071 0.413) 1.506 6.682 ( -0.975 1.071 0.413) 1.506 6.767 ( 3.636 -1.303 -2.014) 4.356 6.767 ( 3.636 1.303 -2.014) 4.356 7.299 ( -3.223 -0.483 2.269) 3.971 7.299 ( -3.223 0.483 2.269) 3.971 7.672 ( -3.037 -1.064 2.491) 4.070 7.672 ( -3.037 1.064 2.491) 4.070 8.012 ( -5.192 -1.330 -0.606) 5.394 8.012 ( -5.192 1.330 -0.606) 5.394 8.491 ( -4.325 -3.858 3.103) 6.574 8.491 ( -4.325 3.858 3.103) 6.574 8.848 ( -5.051 -3.394 1.631) 6.300 8.848 ( -5.051 3.394 1.631) 6.300 9.080 ( 7.756 -7.336 1.478) 10.778 9.080 ( 7.756 7.336 1.478) 10.778 9.897 ( -2.186 -0.158 3.451) 4.088 9.897 ( -2.186 0.158 3.451) 4.088 10.326 ( -4.286 -1.822 2.861) 5.466 10.326 ( -4.286 1.822 2.861) 5.466 12.913 ( -0.510 -2.660 -3.157) 4.159 12.913 ( -0.510 2.660 -3.157) 4.159 12.932 ( 2.228 -2.152 -0.543) 3.145 12.932 ( 2.228 2.152 -0.543) 3.145 14.459 ( -6.938 -5.617 2.116) 9.174 14.459 ( -6.938 5.617 2.116) 9.174 14.891 ( 12.871 -3.254 -2.950) 13.599 14.891 ( 12.871 3.254 -2.950) 13.599 16.960 ( -5.571 -3.883 16.828) 18.146 16.960 ( -5.571 3.883 16.828) 18.146 17.530 ( 5.783 -5.412 -9.629) 12.468 17.530 ( 5.783 5.412 -9.629) 12.468 20.954 ( -15.688 -7.013 22.919) 28.645 20.954 ( -15.688 7.013 22.919) 28.645 21.681 ( 0.654 -7.718 -9.274) 12.084 21.681 ( 0.654 7.718 -9.274) 12.084 ======================= Grid point 202 (117/138) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 1.789 -4.340 -4.295) 6.363 2.039 ( 1.789 4.340 -4.295) 6.363 2.453 ( 13.834 -5.494 6.466) 16.229 2.453 ( 13.834 5.494 6.466) 16.229 2.505 ( -2.897 -7.776 14.380) 16.603 2.505 ( -2.897 7.776 14.380) 16.603 2.754 ( -2.537 -1.735 -4.032) 5.070 2.754 ( -2.537 1.735 -4.032) 5.070 3.169 ( -5.926 -11.008 -2.261) 12.705 3.169 ( -5.926 11.008 -2.261) 12.705 3.511 ( -4.068 -10.558 -1.649) 11.434 3.511 ( -4.068 10.558 -1.649) 11.434 3.605 ( -3.303 -9.982 3.161) 10.979 3.605 ( -3.303 9.982 3.161) 10.979 3.671 ( 4.177 -2.727 -5.480) 7.411 3.671 ( 4.177 2.727 -5.480) 7.411 4.104 ( -7.181 -5.725 -3.590) 9.861 4.104 ( -7.181 5.725 -3.590) 9.861 4.368 ( 2.959 -10.575 -8.453) 13.858 4.368 ( 2.959 10.575 -8.453) 13.858 4.696 ( 1.630 -2.883 8.855) 9.454 4.696 ( 1.630 2.883 8.855) 9.454 4.996 ( 1.799 -0.850 -1.564) 2.531 4.996 ( 1.799 0.850 -1.564) 2.531 5.378 ( -1.387 -3.396 1.205) 3.861 5.378 ( -1.387 3.396 1.205) 3.861 5.539 ( 2.709 -1.284 5.342) 6.126 5.539 ( 2.709 1.284 5.342) 6.126 5.676 ( -6.068 -2.152 6.052) 8.836 5.676 ( -6.068 2.152 6.052) 8.836 6.126 ( 0.528 -6.997 0.642) 7.047 6.126 ( 0.528 6.997 0.642) 7.047 6.245 ( -0.938 -3.594 -1.241) 3.916 6.245 ( -0.938 3.594 -1.241) 3.916 6.389 ( 3.613 -3.311 -10.114) 11.239 6.389 ( 3.613 3.311 -10.114) 11.239 6.683 ( -0.237 -2.361 1.711) 2.925 6.683 ( -0.237 2.361 1.711) 2.925 6.828 ( 4.950 -0.582 -3.792) 6.262 6.828 ( 4.950 0.582 -3.792) 6.262 7.259 ( -4.228 -3.520 3.188) 6.358 7.259 ( -4.228 3.520 3.188) 6.358 7.637 ( -4.369 -1.416 4.111) 6.164 7.637 ( -4.369 1.416 4.111) 6.164 7.854 ( -9.926 -1.845 -1.925) 10.278 7.854 ( -9.926 1.845 -1.925) 10.278 8.433 ( -3.779 -1.771 3.203) 5.261 8.433 ( -3.779 1.771 3.203) 5.261 8.833 ( 0.092 -2.578 3.733) 4.538 8.833 ( 0.092 2.578 3.733) 4.538 9.209 ( 5.306 -6.598 1.089) 8.537 9.209 ( 5.306 6.598 1.089) 8.537 9.876 ( -3.290 -0.436 3.066) 4.518 9.876 ( -3.290 0.436 3.066) 4.518 10.250 ( -6.288 -1.928 1.756) 6.807 10.250 ( -6.288 1.928 1.756) 6.807 12.890 ( 1.041 -2.934 -2.828) 4.205 12.890 ( 1.041 2.934 -2.828) 4.205 12.979 ( 1.868 -3.417 1.549) 4.191 12.979 ( 1.868 3.417 1.549) 4.191 14.366 ( -4.004 -6.859 0.155) 7.943 14.366 ( -4.004 6.859 0.155) 7.943 15.036 ( 7.975 -5.474 -7.361) 12.155 15.036 ( 7.975 5.474 -7.361) 12.155 17.018 ( -3.487 -3.506 17.572) 18.255 17.018 ( -3.487 3.506 17.572) 18.255 17.579 ( 7.617 -5.437 -8.440) 12.602 17.579 ( 7.617 5.437 -8.440) 12.602 20.890 ( -13.463 -5.996 26.053) 29.933 20.890 ( -13.463 5.996 26.053) 29.933 21.633 ( 0.139 -7.293 -4.494) 8.568 21.633 ( 0.139 7.293 -4.494) 8.568 ======================= Grid point 204 (118/138) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -1.612 -5.237 -6.459) 8.470 2.000 ( -1.612 5.237 -6.459) 8.470 2.486 ( -4.549 -9.163 -0.359) 10.237 2.486 ( -4.549 9.163 -0.359) 10.237 2.571 ( -5.500 -8.667 3.494) 10.843 2.571 ( -5.500 8.667 3.494) 10.843 2.850 ( 7.334 -7.967 6.936) 12.859 2.850 ( 7.334 7.967 6.936) 12.859 3.027 ( -2.401 -5.029 -5.521) 7.845 3.027 ( -2.401 5.029 -5.521) 7.845 3.365 ( -6.070 -7.584 -2.635) 10.065 3.365 ( -6.070 7.584 -2.635) 10.065 3.566 ( -3.915 -13.885 0.422) 14.433 3.566 ( -3.915 13.885 0.422) 14.433 3.773 ( 3.296 -6.551 -2.949) 7.905 3.773 ( 3.296 6.551 -2.949) 7.905 4.002 ( 0.906 -7.683 2.293) 8.069 4.002 ( 0.906 7.683 2.293) 8.069 4.336 ( 2.506 -10.841 -9.690) 14.755 4.336 ( 2.506 10.841 -9.690) 14.755 4.792 ( 1.417 -2.221 6.299) 6.827 4.792 ( 1.417 2.221 6.299) 6.827 5.013 ( 1.013 -1.678 -0.883) 2.149 5.013 ( 1.013 1.678 -0.883) 2.149 5.383 ( 1.481 -3.117 1.833) 3.907 5.383 ( 1.481 3.117 1.833) 3.907 5.573 ( -2.666 -0.694 4.535) 5.306 5.573 ( -2.666 0.694 4.535) 5.306 5.718 ( 1.362 -1.985 11.955) 12.195 5.718 ( 1.362 1.985 11.955) 12.195 6.120 ( -0.678 -7.645 -2.116) 7.961 6.120 ( -0.678 7.645 -2.116) 7.961 6.217 ( -1.727 -2.883 0.548) 3.405 6.217 ( -1.727 2.883 0.548) 3.405 6.379 ( 3.353 -3.843 -7.101) 8.743 6.379 ( 3.353 3.843 -7.101) 8.743 6.683 ( -1.601 -3.486 0.777) 3.914 6.683 ( -1.601 3.486 0.777) 3.914 6.839 ( 1.319 -1.401 -8.878) 9.084 6.839 ( 1.319 1.401 -8.878) 9.084 7.202 ( -4.333 -4.293 2.937) 6.770 7.202 ( -4.333 4.293 2.937) 6.770 7.558 ( -7.612 -0.219 2.033) 7.882 7.558 ( -7.612 0.219 2.033) 7.882 7.714 ( -4.651 -1.114 2.519) 5.405 7.714 ( -4.651 1.114 2.519) 5.405 8.430 ( -0.470 -2.370 5.214) 5.747 8.430 ( -0.470 2.370 5.214) 5.747 8.885 ( 2.065 -4.902 3.690) 6.474 8.885 ( 2.065 4.902 3.690) 6.474 9.282 ( 2.478 -5.491 0.699) 6.064 9.282 ( 2.478 5.491 0.699) 6.064 9.830 ( -4.260 -0.799 2.690) 5.102 9.830 ( -4.260 0.800 2.690) 5.102 10.138 ( -7.016 -1.754 0.076) 7.232 10.138 ( -7.016 1.754 0.076) 7.232 12.902 ( 2.394 -2.539 -2.055) 4.049 12.902 ( 2.394 2.539 -2.055) 4.049 13.012 ( 0.288 -3.804 1.490) 4.095 13.012 ( 0.288 3.804 1.490) 4.095 14.335 ( -0.021 -6.551 1.475) 6.715 14.335 ( -0.021 6.551 1.475) 6.715 15.055 ( 2.272 -6.466 -10.036) 12.153 15.055 ( 2.272 6.466 -10.036) 12.153 17.100 ( -3.459 -3.594 17.586) 18.280 17.100 ( -3.459 3.594 17.586) 18.280 17.652 ( 7.720 -5.275 -8.154) 12.406 17.652 ( 7.720 5.275 -8.154) 12.406 20.892 ( -10.024 -6.879 26.366) 29.034 20.892 ( -10.024 6.879 26.366) 29.034 21.619 ( 1.225 -8.042 -1.815) 8.335 21.619 ( 1.225 8.042 -1.815) 8.335 ======================= Grid point 206 (119/138) ======================= q-point: (-0.56 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -4.882 -4.636 -5.206) 8.510 1.891 ( -4.882 4.636 -5.206) 8.510 2.360 ( -8.720 -4.027 -1.159) 9.674 2.360 ( -8.720 4.027 -1.159) 9.674 2.493 ( -4.873 -5.368 5.743) 9.249 2.493 ( -4.873 5.368 5.743) 9.249 2.787 ( -5.009 -4.887 -7.400) 10.185 2.787 ( -5.009 4.887 -7.400) 10.185 3.120 ( 1.051 -8.367 2.358) 8.756 3.120 ( 1.051 8.367 2.358) 8.756 3.318 ( 0.678 -6.746 4.989) 8.417 3.318 ( 0.678 6.746 4.989) 8.417 3.468 ( 0.670 -3.543 -7.707) 8.508 3.468 ( 0.670 3.543 -7.707) 8.508 3.803 ( 1.680 -6.072 -0.381) 6.312 3.803 ( 1.680 6.072 -0.381) 6.312 4.080 ( 1.853 -8.244 3.774) 9.254 4.080 ( 1.853 8.244 3.774) 9.254 4.325 ( 3.397 -7.897 -6.700) 10.899 4.325 ( 3.397 7.897 -6.700) 10.899 4.812 ( -3.209 -1.817 1.961) 4.177 4.812 ( -3.209 1.817 1.961) 4.177 5.034 ( 2.289 -1.301 -0.293) 2.649 5.034 ( 2.289 1.301 -0.293) 2.649 5.474 ( 5.570 -2.675 4.837) 7.847 5.474 ( 5.570 2.675 4.837) 7.847 5.556 ( -4.493 -1.873 6.661) 8.250 5.556 ( -4.493 1.873 6.661) 8.250 5.831 ( 1.107 -1.843 8.441) 8.711 5.831 ( 1.107 1.843 8.441) 8.711 6.084 ( 0.228 -4.466 -4.132) 6.089 6.084 ( 0.228 4.466 -4.132) 6.089 6.186 ( -3.493 -3.368 3.086) 5.751 6.186 ( -3.493 3.368 3.086) 5.751 6.402 ( 3.747 -2.738 -3.720) 5.948 6.402 ( 3.747 2.738 -3.720) 5.948 6.617 ( -4.777 -2.456 -0.997) 5.463 6.617 ( -4.777 2.456 -0.997) 5.463 6.774 ( 1.206 -0.760 -10.176) 10.276 6.774 ( 1.206 0.760 -10.176) 10.276 7.165 ( -2.191 -3.016 1.758) 4.121 7.165 ( -2.191 3.016 1.758) 4.121 7.454 ( -3.841 -1.157 0.684) 4.070 7.454 ( -3.841 1.157 0.684) 4.070 7.704 ( -1.061 -1.940 4.955) 5.426 7.704 ( -1.061 1.940 4.955) 5.426 8.484 ( 1.403 -2.081 5.218) 5.790 8.484 ( 1.403 2.081 5.218) 5.790 8.950 ( 1.943 -4.865 3.124) 6.099 8.950 ( 1.943 4.865 3.124) 6.099 9.316 ( 0.779 -4.112 0.678) 4.240 9.316 ( 0.779 4.112 0.678) 4.240 9.782 ( -3.333 -0.556 3.040) 4.546 9.782 ( -3.333 0.556 3.040) 4.546 10.017 ( -5.961 -1.459 -0.661) 6.173 10.017 ( -5.961 1.459 -0.661) 6.173 12.934 ( 2.402 -1.810 -1.307) 3.279 12.934 ( 2.402 1.810 -1.307) 3.279 13.016 ( 0.063 -3.075 -0.145) 3.079 13.016 ( 0.063 3.075 -0.145) 3.079 14.380 ( 1.828 -4.862 4.528) 6.890 14.380 ( 1.828 4.862 4.528) 6.890 14.965 ( -2.983 -6.011 -10.515) 12.474 14.965 ( -2.983 6.011 -10.515) 12.474 17.161 ( -5.421 -3.744 17.038) 18.268 17.161 ( -5.421 3.744 17.038) 18.268 17.711 ( 6.309 -5.206 -8.573) 11.849 17.711 ( 6.309 5.206 -8.573) 11.849 20.949 ( -6.423 -8.161 24.155) 26.293 20.949 ( -6.423 8.161 24.155) 26.293 21.651 ( 4.223 -8.884 -2.173) 10.073 21.651 ( 4.223 8.884 -2.173) 10.073 ======================= Grid point 208 (120/138) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -5.421 -4.376 0.633) 6.995 1.773 ( -5.421 4.376 0.633) 6.995 2.188 ( -11.253 -7.583 5.180) 14.525 2.188 ( -11.253 7.583 5.180) 14.525 2.548 ( 5.641 -0.996 5.079) 7.656 2.548 ( 5.641 0.996 5.079) 7.656 2.667 ( -2.540 -5.684 -3.866) 7.328 2.667 ( -2.540 5.684 -3.866) 7.328 3.061 ( -6.179 -7.144 1.326) 9.538 3.061 ( -6.179 7.144 1.326) 9.538 3.340 ( 0.664 -8.686 0.025) 8.711 3.340 ( 0.664 8.686 0.025) 8.711 3.565 ( 8.514 -2.107 0.792) 8.806 3.565 ( 8.514 2.107 0.792) 8.806 3.785 ( -0.288 -2.021 -6.276) 6.600 3.785 ( -0.288 2.021 -6.276) 6.600 4.118 ( -1.323 -8.188 4.397) 9.388 4.118 ( -1.323 8.188 4.397) 9.388 4.321 ( 1.086 -3.315 -5.844) 6.806 4.321 ( 1.086 3.315 -5.844) 6.806 4.740 ( -5.511 -1.884 2.061) 6.178 4.740 ( -5.511 1.884 2.061) 6.178 5.065 ( 0.989 -0.809 -0.848) 1.534 5.065 ( 0.989 0.809 -0.848) 1.534 5.509 ( -5.638 -2.481 4.815) 7.818 5.509 ( -5.638 2.481 4.815) 7.818 5.630 ( 5.693 -2.878 5.512) 8.430 5.630 ( 5.693 2.878 5.512) 8.430 5.854 ( -3.007 -1.355 2.057) 3.887 5.854 ( -3.007 1.355 2.057) 3.887 6.077 ( 0.909 -2.017 -1.199) 2.516 6.077 ( 0.909 2.017 -1.199) 2.516 6.175 ( 0.262 -1.519 3.845) 4.143 6.175 ( 0.262 1.519 3.845) 4.143 6.408 ( -0.751 -1.166 -0.722) 1.564 6.408 ( -0.751 1.166 -0.722) 1.564 6.592 ( 2.936 -2.338 -0.401) 3.775 6.592 ( 2.936 2.338 -0.401) 3.775 6.717 ( 1.347 -0.405 -9.915) 10.015 6.717 ( 1.347 0.405 -9.915) 10.015 7.157 ( -0.027 -0.617 1.904) 2.002 7.157 ( -0.027 0.617 1.904) 2.002 7.454 ( 3.169 -1.038 0.410) 3.360 7.454 ( 3.169 1.038 0.410) 3.360 7.728 ( -0.753 -1.380 4.280) 4.560 7.728 ( -0.753 1.380 4.280) 4.560 8.543 ( 1.395 -3.330 2.535) 4.412 8.543 ( 1.395 3.330 2.535) 4.412 8.999 ( 1.422 -3.235 1.406) 3.803 8.999 ( 1.422 3.235 1.406) 3.803 9.310 ( -2.373 -1.819 0.571) 3.044 9.310 ( -2.373 1.819 0.571) 3.044 9.767 ( -1.829 -0.164 4.149) 4.537 9.767 ( -1.829 0.164 4.149) 4.537 9.954 ( -0.368 -0.793 1.611) 1.833 9.954 ( -0.368 0.793 1.611) 1.833 12.941 ( -0.617 -1.635 -1.341) 2.202 12.941 ( -0.617 1.635 -1.341) 2.202 13.041 ( 3.879 -1.239 -1.503) 4.341 13.041 ( 3.879 1.239 -1.503) 4.341 14.445 ( 0.076 -3.003 5.642) 6.392 14.445 ( 0.076 3.003 5.642) 6.392 14.800 ( -6.921 -3.998 -7.459) 10.932 14.800 ( -6.921 3.998 -7.459) 10.932 17.175 ( -8.015 -3.958 16.335) 18.621 17.175 ( -8.015 3.958 16.335) 18.621 17.733 ( 4.165 -5.207 -9.344) 11.479 17.733 ( 4.165 5.207 -9.344) 11.479 21.039 ( -3.591 -9.415 20.304) 22.667 21.039 ( -3.591 9.415 20.304) 22.667 21.730 ( 8.006 -8.899 -5.574) 13.205 21.730 ( 8.006 8.899 -5.574) 13.205 ======================= Grid point 210 (121/138) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -2.336 -8.134 7.489) 11.301 1.738 ( -2.336 8.134 7.489) 11.301 2.082 ( -8.149 -10.028 12.047) 17.666 2.082 ( -8.149 10.028 12.047) 17.666 2.576 ( -1.876 -3.944 0.394) 4.386 2.576 ( -1.876 3.944 0.394) 4.386 2.798 ( 10.394 -3.959 6.941) 13.110 2.798 ( 10.394 3.959 6.941) 13.110 2.961 ( -4.519 -7.607 -0.793) 8.884 2.961 ( -4.519 7.607 -0.793) 8.884 3.380 ( 3.147 -10.922 0.989) 11.409 3.380 ( 3.147 10.922 0.989) 11.409 3.656 ( 0.739 -6.901 -0.155) 6.942 3.656 ( 0.739 6.901 -0.155) 6.942 3.757 ( 2.568 -12.701 -2.334) 13.167 3.757 ( 2.568 12.701 -2.334) 13.167 4.104 ( -1.101 -6.688 -0.116) 6.779 4.104 ( -1.101 6.688 -0.116) 6.779 4.255 ( -2.489 -3.287 -8.199) 9.177 4.255 ( -2.489 3.287 -8.199) 9.177 4.682 ( -4.492 -2.807 6.107) 8.084 4.682 ( -4.492 2.807 6.107) 8.084 5.057 ( -0.178 -1.567 -1.687) 2.310 5.057 ( -0.178 1.567 -1.687) 2.310 5.438 ( -5.019 -3.139 1.648) 6.145 5.438 ( -5.019 3.139 1.648) 6.145 5.681 ( -3.382 -3.678 1.998) 5.381 5.681 ( -3.382 3.678 1.998) 5.381 5.855 ( 1.954 -4.199 2.647) 5.334 5.855 ( 1.954 4.199 2.647) 5.334 6.088 ( 0.133 -2.861 0.888) 2.999 6.088 ( 0.133 2.861 0.888) 2.999 6.194 ( -1.617 -3.853 0.932) 4.281 6.194 ( -1.617 3.853 0.932) 4.281 6.446 ( 5.694 -2.364 -1.111) 6.264 6.446 ( 5.694 2.364 -1.111) 6.264 6.633 ( 3.029 -1.106 -6.839) 7.561 6.633 ( 3.029 1.106 -6.839) 7.561 6.697 ( 2.801 -1.998 0.013) 3.441 6.697 ( 2.801 1.998 0.013) 3.441 7.199 ( 2.511 -2.888 2.821) 4.755 7.199 ( 2.511 2.888 2.821) 4.755 7.553 ( 6.756 -1.883 0.806) 7.059 7.553 ( 6.756 1.883 0.806) 7.059 7.743 ( -0.480 -1.103 3.031) 3.261 7.743 ( -0.480 1.103 3.031) 3.261 8.561 ( -0.422 -8.587 -0.566) 8.616 8.561 ( -0.422 8.587 -0.566) 8.616 9.000 ( -1.666 -2.459 -2.382) 3.808 9.000 ( -1.666 2.459 -2.382) 3.808 9.258 ( -3.555 -1.346 1.957) 4.275 9.258 ( -3.555 1.346 1.957) 4.275 9.789 ( 0.390 -0.512 5.325) 5.364 9.789 ( 0.390 0.512 5.325) 5.364 10.032 ( 5.495 -0.609 4.497) 7.127 10.032 ( 5.495 0.609 4.497) 7.127 12.908 ( -1.183 -1.996 -2.137) 3.154 12.908 ( -1.183 1.996 -2.137) 3.154 13.110 ( 5.166 -1.732 -2.711) 6.086 13.110 ( 5.166 1.732 -2.711) 6.086 14.424 ( -5.511 -1.649 -0.608) 5.785 14.424 ( -5.511 1.649 -0.608) 5.785 14.665 ( -5.342 -0.969 4.509) 7.057 14.665 ( -5.342 0.969 4.509) 7.057 17.141 ( -10.134 -4.170 15.620) 19.081 17.141 ( -10.134 4.170 15.620) 19.081 17.710 ( 2.193 -5.218 -10.265) 11.722 17.710 ( 2.193 5.218 -10.265) 11.722 21.130 ( -2.819 -10.562 16.166) 19.515 21.130 ( -2.819 10.562 16.166) 19.515 21.827 ( 9.907 -7.841 -11.240) 16.911 21.827 ( 9.907 7.841 -11.240) 16.911 ======================= Grid point 212 (122/138) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.050 -7.440 9.946) 12.465 1.782 ( -1.050 7.440 9.946) 12.465 2.071 ( -7.085 -6.832 15.570) 18.420 2.071 ( -7.085 6.832 15.570) 18.420 2.559 ( -3.869 -4.073 4.731) 7.344 2.559 ( -3.869 4.073 4.731) 7.344 2.871 ( -2.105 -6.420 2.872) 7.341 2.871 ( -2.105 6.420 2.872) 7.341 3.016 ( 7.472 -6.089 -1.183) 9.712 3.016 ( 7.472 6.089 -1.183) 9.712 3.444 ( 1.821 -13.140 2.656) 13.529 3.444 ( 1.821 13.140 2.656) 13.529 3.670 ( 1.787 -6.889 -0.355) 7.125 3.670 ( 1.787 6.889 -0.355) 7.125 3.813 ( 4.159 -14.072 2.046) 14.815 3.813 ( 4.159 14.072 2.046) 14.815 4.111 ( -0.672 -2.502 -5.641) 6.208 4.111 ( -0.672 2.502 -5.641) 6.208 4.133 ( 1.543 -2.834 -4.362) 5.426 4.133 ( 1.543 2.834 -4.362) 5.426 4.670 ( -3.324 -2.134 7.135) 8.155 4.670 ( -3.324 2.134 7.135) 8.155 5.043 ( 0.269 -2.093 -2.341) 3.151 5.043 ( 0.269 2.093 -2.341) 3.151 5.370 ( -3.333 -3.680 0.491) 4.989 5.370 ( -3.333 3.680 0.491) 4.989 5.624 ( -4.275 -4.221 2.000) 6.332 5.624 ( -4.275 4.221 2.000) 6.332 5.896 ( 0.570 -5.804 0.791) 5.885 5.896 ( 0.570 5.804 0.791) 5.885 6.055 ( -4.539 -2.008 1.439) 5.168 6.055 ( -4.539 2.008 1.439) 5.168 6.192 ( 1.111 -4.894 0.162) 5.021 6.192 ( 1.111 4.894 0.162) 5.021 6.494 ( 6.289 -2.174 -14.635) 16.076 6.494 ( 6.289 2.174 -14.635) 16.076 6.638 ( 0.879 -1.139 1.299) 1.938 6.638 ( 0.879 1.139 1.299) 1.938 6.784 ( 3.644 -3.478 2.305) 5.540 6.784 ( 3.644 3.478 2.305) 5.540 7.280 ( 3.556 -4.110 3.261) 6.338 7.280 ( 3.556 4.110 3.261) 6.338 7.674 ( 4.966 -2.265 1.952) 5.796 7.674 ( 4.966 2.265 1.952) 5.796 7.778 ( 2.645 -2.738 2.399) 4.500 7.778 ( 2.645 2.738 2.399) 4.500 8.525 ( -2.148 -8.233 -1.473) 8.635 8.525 ( -2.148 8.233 -1.473) 8.635 8.920 ( -3.721 -2.751 -2.161) 5.107 8.920 ( -3.721 2.751 -2.161) 5.107 9.219 ( -3.224 -2.354 1.353) 4.214 9.219 ( -3.224 2.354 1.353) 4.214 9.851 ( 1.165 -0.257 5.084) 5.222 9.851 ( 1.165 0.257 5.084) 5.222 10.182 ( 6.398 -0.828 4.705) 7.985 10.182 ( 6.398 0.828 4.705) 7.985 12.875 ( -0.406 -2.013 -2.209) 3.016 12.875 ( -0.406 2.013 -2.209) 3.016 13.150 ( 2.336 -2.577 -5.776) 6.742 13.150 ( 2.336 2.577 -5.776) 6.742 14.327 ( -2.476 -1.077 0.999) 2.879 14.327 ( -2.476 1.077 0.999) 2.879 14.649 ( -4.623 -0.431 9.970) 10.998 14.649 ( -4.623 0.431 9.970) 10.998 17.073 ( -11.098 -4.392 14.985) 19.157 17.073 ( -11.098 4.392 14.985) 19.157 17.653 ( 1.122 -5.193 -11.068) 12.277 17.653 ( 1.122 5.193 -11.068) 12.277 21.182 ( -5.069 -11.533 13.709) 18.618 21.182 ( -5.069 11.533 13.709) 18.618 21.876 ( 7.762 -7.334 -16.700) 19.822 21.876 ( 7.762 7.334 -16.700) 19.822 ======================= Grid point 214 (123/138) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.025 -6.571 8.675) 10.882 1.850 ( 0.025 6.571 8.675) 10.882 2.060 ( -7.182 -8.020 16.084) 19.355 2.060 ( -7.182 8.020 16.084) 19.355 2.471 ( -9.055 -3.551 2.413) 10.021 2.471 ( -9.055 3.551 2.413) 10.021 2.849 ( -2.365 -3.033 1.311) 4.064 2.849 ( -2.365 3.033 1.311) 4.064 3.181 ( 10.217 -3.552 4.132) 11.579 3.181 ( 10.217 3.552 4.132) 11.579 3.465 ( -2.169 -9.759 2.530) 10.312 3.465 ( -2.169 9.759 2.530) 10.312 3.679 ( 2.521 -5.452 -7.884) 9.911 3.679 ( 2.521 5.452 -7.884) 9.911 3.897 ( 0.544 -14.798 6.121) 16.023 3.897 ( 0.544 14.798 6.121) 16.023 4.042 ( 3.482 -8.677 -8.425) 12.585 4.042 ( 3.482 8.677 -8.425) 12.585 4.251 ( 7.048 -1.667 3.481) 8.035 4.251 ( 7.048 1.667 3.481) 8.035 4.662 ( -3.416 -0.607 5.354) 6.380 4.662 ( -3.416 0.607 5.354) 6.380 5.023 ( 0.472 -2.862 -4.051) 4.982 5.023 ( 0.472 2.862 -4.051) 4.982 5.337 ( -1.652 -3.055 2.086) 4.051 5.337 ( -1.652 3.055 2.086) 4.051 5.558 ( -5.264 -3.387 2.494) 6.738 5.558 ( -5.264 3.387 2.494) 6.738 5.893 ( -0.657 -5.938 -1.116) 6.078 5.893 ( -0.657 5.938 -1.116) 6.078 6.008 ( -1.398 -1.674 2.137) 3.053 6.008 ( -1.398 1.674 2.137) 3.053 6.208 ( 0.613 -2.885 -0.010) 2.950 6.208 ( 0.613 2.885 -0.010) 2.950 6.470 ( 4.650 -1.104 -14.677) 15.436 6.470 ( 4.650 1.104 -14.677) 15.436 6.673 ( 0.891 -1.973 2.759) 3.507 6.673 ( 0.891 1.973 2.759) 3.507 6.805 ( -0.812 -3.660 -2.980) 4.789 6.805 ( -0.812 3.660 -2.980) 4.789 7.349 ( 1.110 -5.230 1.986) 5.703 7.349 ( 1.110 5.230 1.986) 5.703 7.731 ( -0.072 -1.555 0.862) 1.780 7.731 ( -0.072 1.555 0.862) 1.780 7.892 ( 6.618 -0.224 4.321) 7.907 7.892 ( 6.618 0.224 4.321) 7.907 8.491 ( -0.871 -5.314 1.090) 5.494 8.491 ( -0.871 5.314 1.090) 5.494 8.876 ( -0.023 -2.636 0.506) 2.684 8.876 ( -0.023 2.636 0.506) 2.684 9.140 ( -6.313 -2.570 -0.997) 6.889 9.140 ( -6.313 2.570 -0.997) 6.889 9.893 ( -0.507 -0.360 4.029) 4.077 9.893 ( -0.507 0.360 4.029) 4.077 10.304 ( 3.234 -1.364 3.732) 5.123 10.304 ( 3.234 1.364 3.732) 5.123 12.865 ( 1.066 -2.042 -1.680) 2.851 12.865 ( 1.066 2.042 -1.680) 2.851 13.093 ( -2.265 -2.960 -7.345) 8.236 13.093 ( -2.265 2.960 -7.345) 8.236 14.400 ( 7.535 -1.264 4.806) 9.026 14.400 ( 7.535 1.264 4.806) 9.026 14.635 ( -5.469 -1.721 8.508) 10.259 14.635 ( -5.469 1.721 8.508) 10.259 16.998 ( -10.425 -4.678 14.900) 18.777 16.998 ( -10.425 4.678 14.900) 18.777 17.584 ( 1.398 -5.108 -11.406) 12.576 17.584 ( 1.398 5.108 -11.406) 12.576 21.161 ( -10.080 -11.777 14.435) 21.182 21.161 ( -10.080 11.777 14.435) 21.182 21.837 ( 3.957 -8.425 -18.044) 20.304 21.837 ( 3.957 8.425 -18.044) 20.304 ======================= Grid point 225 (124/138) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.042 0.000 -7.259) 7.871 1.803 ( 3.042 0.000 7.259) 7.871 2.194 ( -2.551 0.000 -11.838) 12.110 2.194 ( 2.551 0.000 11.838) 12.110 2.606 ( 2.367 0.000 -12.899) 13.114 2.606 ( -2.367 0.000 12.899) 13.114 2.772 ( 7.360 0.000 -9.306) 11.865 2.772 ( -7.360 0.000 9.306) 11.865 3.296 ( -3.868 0.000 0.392) 3.888 3.296 ( 3.868 0.000 -0.392) 3.888 3.388 ( 5.002 0.000 -11.493) 12.535 3.388 ( -5.002 0.000 11.493) 12.535 3.519 ( 0.616 0.000 -1.651) 1.763 3.519 ( -0.616 0.000 1.651) 1.763 3.954 ( -3.157 0.000 -13.887) 14.242 3.954 ( 3.157 0.000 13.887) 14.242 4.129 ( -9.508 0.000 -10.533) 14.190 4.129 ( 9.508 0.000 10.533) 14.190 4.585 ( 0.674 0.000 -4.004) 4.060 4.585 ( -0.674 0.000 4.004) 4.060 4.777 ( 3.788 0.000 -7.521) 8.421 4.777 ( -3.788 0.000 7.521) 8.421 4.913 ( 7.959 0.000 -8.432) 11.595 4.913 ( -7.959 0.000 8.432) 11.595 5.415 ( -3.329 0.000 -4.917) 5.938 5.415 ( 3.329 0.000 4.917) 5.938 5.465 ( 2.580 0.000 -4.483) 5.172 5.465 ( -2.580 0.000 4.483) 5.172 5.925 ( 6.085 0.000 -14.740) 15.946 5.925 ( -6.085 0.000 14.740) 15.946 5.940 ( 3.591 0.000 -1.282) 3.813 5.940 ( -3.591 0.000 1.282) 3.813 6.185 ( 6.839 0.000 -4.645) 8.267 6.185 ( -6.839 0.000 4.645) 8.267 6.431 ( 1.792 0.000 -3.055) 3.542 6.431 ( -1.792 0.000 3.055) 3.542 6.646 ( -3.965 0.000 -3.665) 5.399 6.646 ( 3.965 0.000 3.665) 5.399 6.814 ( -3.539 0.000 -0.032) 3.539 6.814 ( 3.539 0.000 0.032) 3.539 7.227 ( -2.950 0.000 -4.332) 5.241 7.227 ( 2.950 0.000 4.332) 5.241 7.651 ( -0.126 0.000 -0.646) 0.658 7.651 ( 0.126 0.000 0.646) 0.658 8.040 ( -1.958 0.000 -0.807) 2.118 8.040 ( 1.958 0.000 0.807) 2.118 8.599 ( 2.281 0.000 -3.607) 4.268 8.599 ( -2.281 0.000 3.607) 4.268 8.805 ( -5.104 0.000 -4.068) 6.527 8.805 ( 5.104 0.000 4.068) 6.527 9.078 ( -7.722 0.000 1.416) 7.851 9.078 ( 7.722 0.000 -1.416) 7.851 9.990 ( 0.506 0.000 -0.510) 0.718 9.990 ( -0.506 0.000 0.510) 0.718 10.340 ( 1.740 0.000 -2.511) 3.054 10.340 ( -1.740 0.000 2.511) 3.054 12.829 ( -1.959 0.000 -1.528) 2.485 12.829 ( 1.959 0.000 1.528) 2.485 12.992 ( -2.613 0.000 -2.650) 3.721 12.992 ( 2.613 0.000 2.650) 3.721 14.598 ( -14.289 0.000 4.564) 15.000 14.598 ( 14.289 0.000 -4.564) 15.000 14.694 ( -3.434 0.000 -2.668) 4.349 14.694 ( 3.434 0.000 2.668) 4.349 17.121 ( 5.447 0.000 -13.672) 14.717 17.121 ( -5.447 0.000 13.672) 14.717 17.392 ( 7.164 0.000 -14.686) 16.340 17.392 ( -7.164 0.000 14.686) 16.340 21.260 ( 8.360 0.000 -14.682) 16.895 21.260 ( -8.360 0.000 14.682) 16.895 21.607 ( 9.459 0.000 -13.343) 16.356 21.607 ( -9.459 0.000 13.343) 16.356 ======================= Grid point 227 (125/138) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.146 0.000 -3.810) 10.838 1.975 ( 8.067 0.000 1.356) 8.180 2.098 ( 0.974 0.000 -4.281) 4.391 2.348 ( 2.556 0.000 12.226) 12.491 2.498 ( 1.427 0.000 -18.779) 18.833 2.511 ( -11.358 0.000 -6.911) 13.295 2.782 ( 0.250 0.000 11.689) 11.692 2.849 ( 10.527 0.000 -10.724) 15.028 3.279 ( -2.845 0.000 7.981) 8.473 3.326 ( -3.323 0.000 6.680) 7.461 3.342 ( -0.579 0.000 -11.552) 11.566 3.457 ( 1.481 0.000 11.312) 11.409 3.527 ( -0.870 0.000 -0.214) 0.896 3.527 ( -1.077 0.000 4.713) 4.834 3.821 ( -1.466 0.000 -9.009) 9.128 3.825 ( -9.886 0.000 -14.196) 17.299 4.068 ( -0.829 0.000 4.697) 4.770 4.287 ( 0.119 0.000 7.548) 7.549 4.520 ( -0.748 0.000 -8.928) 8.959 4.531 ( -5.275 0.000 -4.791) 7.126 4.777 ( -2.512 0.000 5.788) 6.309 4.811 ( 4.845 0.000 -4.543) 6.642 4.859 ( -6.159 0.000 12.952) 14.341 4.964 ( 5.152 0.000 -6.704) 8.455 5.339 ( -1.733 0.000 -2.291) 2.872 5.470 ( 0.263 0.000 4.108) 4.117 5.490 ( 3.378 0.000 -3.058) 4.557 5.540 ( 4.725 0.000 6.861) 8.331 5.902 ( -1.000 0.000 1.806) 2.065 5.939 ( 6.014 0.000 -10.152) 11.800 5.960 ( -5.225 0.000 16.906) 17.695 5.974 ( 3.000 0.000 -5.583) 6.338 6.099 ( -6.409 0.000 5.298) 8.316 6.247 ( 4.903 0.000 -7.041) 8.580 6.369 ( -4.202 0.000 -1.363) 4.417 6.396 ( -0.007 0.000 -6.084) 6.084 6.619 ( 0.949 0.000 0.292) 0.993 6.733 ( -4.706 0.000 1.842) 5.054 6.788 ( 4.968 0.000 3.766) 6.234 6.861 ( 0.842 0.000 1.399) 1.633 7.172 ( -1.446 0.000 0.151) 1.454 7.331 ( 1.840 0.000 8.747) 8.938 7.638 ( -1.139 0.000 -0.088) 1.142 7.651 ( -0.627 0.000 0.173) 0.651 7.956 ( -5.847 0.000 -1.769) 6.108 8.009 ( -5.617 0.000 -3.074) 6.404 8.458 ( -6.875 0.000 -7.242) 9.986 8.537 ( -3.339 0.000 2.155) 3.974 8.847 ( 6.542 0.000 1.386) 6.687 8.896 ( -3.463 0.000 1.019) 3.610 9.040 ( 3.546 0.000 5.954) 6.930 9.197 ( 7.059 0.000 -2.751) 7.576 9.974 ( -1.911 0.000 0.490) 1.973 9.987 ( -0.214 0.000 -0.784) 0.812 10.299 ( -5.267 0.000 2.443) 5.806 10.321 ( -1.656 0.000 -2.515) 3.011 12.797 ( -0.731 0.000 -0.295) 0.789 12.884 ( 1.878 0.000 3.182) 3.695 12.946 ( -0.860 0.000 -1.223) 1.495 13.075 ( 3.451 0.000 3.989) 5.275 14.374 ( -11.899 0.000 0.803) 11.926 14.578 ( -3.409 0.000 -6.305) 7.167 14.759 ( 2.911 0.000 -1.877) 3.464 14.804 ( 13.212 0.000 -9.401) 16.215 17.143 ( 8.623 0.000 -12.307) 15.028 17.161 ( -2.953 0.000 14.475) 14.773 17.413 ( -4.523 0.000 16.476) 17.085 17.426 ( 9.129 0.000 -13.435) 16.243 21.208 ( -9.678 0.000 13.474) 16.589 21.266 ( 6.022 0.000 -15.336) 16.476 21.585 ( -9.704 0.000 22.951) 24.918 21.697 ( 7.021 0.000 -2.503) 7.454 ======================= Grid point 228 (126/138) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.511 0.000 -14.258) 14.684 2.040 ( 14.047 0.000 -6.312) 15.400 2.195 ( -13.921 0.000 -5.426) 14.941 2.232 ( 4.397 0.000 10.851) 11.708 2.386 ( 1.983 0.000 -17.072) 17.187 2.427 ( -2.189 0.000 8.040) 8.333 2.950 ( 8.349 0.000 -8.860) 12.174 2.957 ( 10.529 0.000 2.719) 10.874 3.190 ( -8.807 0.000 -4.243) 9.776 3.250 ( -2.591 0.000 -7.305) 7.751 3.301 ( -7.604 0.000 6.544) 10.032 3.413 ( -5.961 0.000 -4.816) 7.663 3.479 ( -2.539 0.000 2.209) 3.365 3.618 ( 1.150 0.000 10.280) 10.344 3.622 ( -5.140 0.000 2.219) 5.599 3.821 ( 3.256 0.000 -3.677) 4.912 3.976 ( -7.736 0.000 -4.832) 9.121 4.263 ( -4.987 0.000 1.550) 5.222 4.405 ( -2.407 0.000 -3.760) 4.464 4.467 ( 2.288 0.000 -6.237) 6.643 4.816 ( -0.867 0.000 8.824) 8.866 4.853 ( 4.553 0.000 -6.433) 7.881 4.876 ( -1.062 0.000 7.741) 7.814 5.010 ( 4.611 0.000 -3.535) 5.810 5.322 ( 0.521 0.000 0.492) 0.716 5.529 ( 2.909 0.000 2.911) 4.115 5.540 ( 3.594 0.000 0.834) 3.689 5.681 ( 4.112 0.000 7.518) 8.569 5.917 ( -2.179 0.000 -2.399) 3.241 5.940 ( -1.307 0.000 4.284) 4.479 5.950 ( -4.740 0.000 12.557) 13.422 6.007 ( 9.202 0.000 -12.763) 15.734 6.106 ( -1.980 0.000 12.923) 13.073 6.248 ( 3.227 0.000 -9.044) 9.602 6.304 ( -1.769 0.000 -1.200) 2.137 6.367 ( 1.293 0.000 -5.411) 5.564 6.627 ( -0.727 0.000 -0.770) 1.059 6.641 ( -5.454 0.000 -0.161) 5.456 6.851 ( -3.310 0.000 0.418) 3.336 6.872 ( 0.254 0.000 2.613) 2.625 7.169 ( -0.525 0.000 2.038) 2.104 7.380 ( -3.660 0.000 6.099) 7.113 7.600 ( -3.588 0.000 -0.235) 3.596 7.619 ( -3.381 0.000 -1.310) 3.626 7.811 ( -9.386 0.000 -5.973) 11.125 7.829 ( -6.549 0.000 -1.090) 6.639 8.364 ( -0.416 0.000 -1.374) 1.435 8.567 ( 2.631 0.000 7.981) 8.404 8.837 ( -2.374 0.000 1.445) 2.779 8.971 ( 6.222 0.000 0.296) 6.229 9.150 ( 2.594 0.000 4.454) 5.154 9.271 ( 4.591 0.000 -4.456) 6.398 9.926 ( -3.698 0.000 0.037) 3.699 9.967 ( -1.101 0.000 -1.830) 2.136 10.193 ( -8.210 0.000 1.294) 8.311 10.243 ( -4.601 0.000 -3.057) 5.524 12.800 ( 0.934 0.000 0.325) 0.989 12.922 ( 0.318 0.000 0.684) 0.754 12.952 ( 0.542 0.000 3.455) 3.498 13.152 ( 0.930 0.000 3.665) 3.781 14.241 ( -3.152 0.000 1.821) 3.640 14.489 ( -0.269 0.000 -6.749) 6.754 14.770 ( 1.597 0.000 -4.752) 5.013 14.911 ( 8.959 0.000 -13.260) 16.003 17.217 ( 10.088 0.000 -11.613) 15.383 17.235 ( -2.054 0.000 14.657) 14.800 17.483 ( -3.146 0.000 17.222) 17.507 17.491 ( 9.953 0.000 -13.178) 16.514 21.152 ( -8.707 0.000 13.961) 16.454 21.240 ( 4.351 0.000 -13.863) 14.530 21.612 ( -9.489 0.000 25.625) 27.325 21.783 ( 2.148 0.000 2.152) 3.041 ======================= Grid point 229 (127/138) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -6.510 0.000 -10.466) 12.325 1.950 ( 6.144 0.000 -11.909) 13.401 2.231 ( -2.881 0.000 7.383) 7.925 2.247 ( -5.863 0.000 -6.685) 8.892 2.388 ( 4.390 0.000 4.846) 6.539 2.479 ( 8.881 0.000 -7.073) 11.353 2.847 ( -12.791 0.000 -7.060) 14.610 2.948 ( -0.783 0.000 -10.578) 10.607 3.137 ( -12.157 0.000 1.254) 12.221 3.185 ( 3.100 0.000 -1.079) 3.282 3.212 ( 3.075 0.000 -8.226) 8.782 3.341 ( 2.979 0.000 1.632) 3.397 3.433 ( -3.224 0.000 -0.819) 3.327 3.602 ( 0.969 0.000 0.697) 1.193 3.666 ( -4.912 0.000 10.116) 11.246 3.807 ( -6.194 0.000 -3.202) 6.972 3.867 ( 1.759 0.000 6.510) 6.743 4.235 ( 2.101 0.000 -6.489) 6.821 4.383 ( 0.668 0.000 3.283) 3.350 4.487 ( 3.464 0.000 -4.087) 5.357 4.857 ( -0.621 0.000 7.328) 7.354 4.867 ( 3.537 0.000 -7.998) 8.745 4.941 ( 1.038 0.000 5.045) 5.151 5.061 ( 3.742 0.000 -2.586) 4.549 5.374 ( 4.062 0.000 3.609) 5.434 5.598 ( 2.488 0.000 0.832) 2.623 5.633 ( 4.596 0.000 4.159) 6.198 5.778 ( 2.034 0.000 2.885) 3.530 5.896 ( 1.725 0.000 -0.337) 1.757 5.899 ( -5.275 0.000 8.811) 10.270 6.045 ( -0.663 0.000 10.751) 10.772 6.072 ( 6.358 0.000 -7.912) 10.150 6.173 ( -0.214 0.000 11.441) 11.443 6.236 ( 3.993 0.000 -8.334) 9.242 6.291 ( 0.534 0.000 -0.037) 0.536 6.317 ( -1.921 0.000 -6.404) 6.686 6.567 ( -1.516 0.000 -1.625) 2.223 6.571 ( -3.745 0.000 -3.155) 4.897 6.744 ( -7.445 0.000 -2.275) 7.784 6.823 ( -6.735 0.000 -0.870) 6.791 7.150 ( -3.213 0.000 0.903) 3.337 7.316 ( -6.231 0.000 1.762) 6.475 7.492 ( -7.928 0.000 -2.485) 8.308 7.516 ( -3.852 0.000 -0.765) 3.928 7.688 ( -1.845 0.000 -0.865) 2.037 7.741 ( -2.652 0.000 -0.158) 2.657 8.395 ( 3.822 0.000 1.076) 3.971 8.707 ( 0.581 0.000 9.874) 9.891 8.855 ( 3.319 0.000 5.187) 6.158 9.061 ( 4.458 0.000 -1.565) 4.725 9.202 ( 0.599 0.000 2.803) 2.866 9.295 ( 2.572 0.000 -5.073) 5.688 9.856 ( -3.491 0.000 -0.469) 3.522 9.916 ( -2.391 0.000 -3.055) 3.880 10.050 ( -7.705 0.000 0.050) 7.705 10.119 ( -6.019 0.000 -3.663) 7.046 12.830 ( 2.035 0.000 0.382) 2.071 12.927 ( -0.549 0.000 0.849) 1.011 12.988 ( 0.446 0.000 3.343) 3.372 13.151 ( -2.755 0.000 0.852) 2.884 14.300 ( 4.600 0.000 7.451) 8.757 14.470 ( 2.926 0.000 -4.559) 5.417 14.750 ( 0.657 0.000 -4.376) 4.425 14.911 ( 3.760 0.000 -14.742) 15.214 17.297 ( 9.285 0.000 -11.977) 15.154 17.309 ( -2.826 0.000 14.258) 14.535 17.559 ( -3.823 0.000 16.698) 17.130 17.559 ( 9.558 0.000 -13.575) 16.602 21.128 ( -6.585 0.000 14.066) 15.531 21.204 ( 3.670 0.000 -12.745) 13.263 21.650 ( -8.118 0.000 22.955) 24.348 21.796 ( -1.131 0.000 -0.674) 1.316 ======================= Grid point 230 (128/138) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 7.056 0.000 -2.109) 7.365 1.996 ( 4.798 0.000 -7.762) 9.125 2.038 ( -8.849 0.000 -3.373) 9.470 2.136 ( -10.188 0.000 3.752) 10.857 2.500 ( 1.576 0.000 9.265) 9.398 2.561 ( 6.918 0.000 -12.503) 14.289 2.668 ( -4.163 0.000 4.944) 6.463 2.780 ( -5.247 0.000 -12.522) 13.577 3.012 ( -2.043 0.000 2.070) 2.908 3.082 ( -5.903 0.000 -4.222) 7.258 3.287 ( 5.552 0.000 1.406) 5.727 3.370 ( -3.556 0.000 -0.223) 3.563 3.485 ( 8.913 0.000 -0.062) 8.913 3.618 ( -6.583 0.000 3.433) 7.424 3.641 ( 6.372 0.000 -8.700) 10.784 3.700 ( -7.633 0.000 5.864) 9.626 4.003 ( 3.205 0.000 14.919) 15.259 4.164 ( -1.298 0.000 -13.123) 13.187 4.452 ( 1.208 0.000 6.064) 6.184 4.496 ( 1.334 0.000 -5.002) 5.177 4.867 ( 3.717 0.000 -6.800) 7.749 4.887 ( -2.517 0.000 4.168) 4.869 5.009 ( 2.517 0.000 6.455) 6.928 5.079 ( 0.340 0.000 -3.818) 3.833 5.505 ( 5.841 0.000 4.278) 7.240 5.604 ( -2.095 0.000 -1.449) 2.547 5.759 ( 5.100 0.000 4.448) 6.767 5.816 ( 1.425 0.000 -1.177) 1.849 5.904 ( -1.427 0.000 7.333) 7.471 5.939 ( 3.409 0.000 -4.385) 5.554 6.034 ( -1.440 0.000 -8.973) 9.088 6.038 ( -8.454 0.000 11.761) 14.484 6.258 ( 1.724 0.000 -3.454) 3.860 6.279 ( -2.177 0.000 4.139) 4.677 6.302 ( 7.657 0.000 -2.727) 8.128 6.346 ( 8.789 0.000 4.169) 9.728 6.453 ( -5.875 0.000 -2.842) 6.526 6.540 ( -1.632 0.000 -3.415) 3.785 6.615 ( -4.013 0.000 -0.674) 4.070 6.643 ( -8.987 0.000 -3.073) 9.498 7.118 ( 0.201 0.000 0.868) 0.891 7.193 ( -7.117 0.000 -0.695) 7.151 7.408 ( 0.195 0.000 0.330) 0.383 7.453 ( -2.976 0.000 -1.172) 3.198 7.689 ( 0.715 0.000 1.259) 1.448 7.712 ( -0.883 0.000 -0.720) 1.140 8.512 ( 7.937 0.000 1.441) 8.067 8.664 ( -8.023 0.000 1.490) 8.160 9.021 ( 4.151 0.000 10.360) 11.160 9.096 ( 2.057 0.000 -5.095) 5.495 9.233 ( 0.817 0.000 2.877) 2.991 9.279 ( -0.086 0.000 -4.907) 4.908 9.816 ( -0.552 0.000 0.261) 0.611 9.846 ( -2.441 0.000 -2.428) 3.443 9.961 ( -2.178 0.000 1.194) 2.484 9.998 ( -3.861 0.000 -3.207) 5.019 12.872 ( 2.442 0.000 -0.162) 2.447 12.910 ( -2.203 0.000 0.943) 2.396 13.030 ( 2.155 0.000 1.935) 2.896 13.092 ( -3.273 0.000 -1.061) 3.441 14.452 ( 3.126 0.000 8.554) 9.108 14.496 ( 2.555 0.000 -3.405) 4.257 14.744 ( 0.839 0.000 1.690) 1.887 14.824 ( -0.718 0.000 -12.203) 12.224 17.347 ( 7.339 0.000 -12.682) 14.653 17.352 ( -4.933 0.000 13.468) 14.343 17.604 ( 7.883 0.000 -14.481) 16.488 17.604 ( -5.687 0.000 15.632) 16.634 21.139 ( -4.704 0.000 13.417) 14.218 21.169 ( 3.797 0.000 -12.737) 13.291 21.692 ( -4.689 0.000 16.659) 17.306 21.749 ( 0.348 0.000 -8.314) 8.321 ======================= Grid point 235 (129/138) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -3.894 7.889 -7.047) 11.273 1.901 ( 3.894 7.889 7.047) 11.273 2.165 ( -5.155 -2.506 -8.179) 9.987 2.165 ( 5.155 -2.506 8.179) 9.987 2.633 ( 1.545 2.433 -10.439) 10.830 2.633 ( -1.545 2.433 10.439) 10.830 2.745 ( 7.203 -2.752 -7.494) 10.753 2.745 ( -7.203 -2.752 7.495) 10.753 3.259 ( -1.111 -1.006 -2.387) 2.818 3.259 ( 1.111 -1.006 2.387) 2.818 3.413 ( 1.377 -0.062 -4.521) 4.726 3.413 ( -1.377 -0.062 4.521) 4.726 3.583 ( 0.820 6.672 -8.055) 10.492 3.583 ( -0.820 6.672 8.055) 10.492 4.025 ( -1.465 0.588 -8.776) 8.917 4.025 ( 1.465 0.588 8.776) 8.917 4.038 ( -5.418 -2.563 -1.370) 6.148 4.038 ( 5.418 -2.563 1.370) 6.148 4.462 ( -0.609 -10.600 -4.479) 11.523 4.462 ( 0.609 -10.600 4.479) 11.523 4.778 ( 1.613 0.095 -6.958) 7.143 4.778 ( -1.613 0.095 6.958) 7.143 4.893 ( 3.671 -1.315 -7.188) 8.178 4.893 ( -3.671 -1.315 7.188) 8.178 5.419 ( -2.845 0.481 -3.126) 4.254 5.419 ( 2.845 0.481 3.126) 4.254 5.491 ( -0.448 1.205 -1.761) 2.180 5.491 ( 0.448 1.205 1.761) 2.180 5.883 ( 2.454 -3.232 -7.494) 8.522 5.883 ( -2.454 -3.232 7.494) 8.522 5.999 ( 2.237 6.191 -5.003) 8.268 5.999 ( -2.237 6.191 5.003) 8.268 6.206 ( 2.150 1.312 -2.236) 3.368 6.206 ( -2.150 1.312 2.236) 3.368 6.357 ( -0.685 -6.692 -4.486) 8.086 6.357 ( 0.685 -6.692 4.486) 8.086 6.679 ( -1.816 2.433 -2.704) 4.066 6.679 ( 1.816 2.433 2.704) 4.066 6.764 ( -1.347 -3.238 -0.294) 3.520 6.764 ( 1.347 -3.238 0.294) 3.520 7.296 ( -2.475 4.614 -3.328) 6.204 7.296 ( 2.475 4.614 3.328) 6.204 7.682 ( -0.197 2.365 -0.441) 2.413 7.682 ( 0.197 2.365 0.441) 2.413 8.047 ( -1.718 0.599 -0.922) 2.040 8.047 ( 1.718 0.599 0.922) 2.040 8.572 ( -1.056 -1.882 -3.170) 3.835 8.572 ( 1.056 -1.882 3.170) 3.835 8.857 ( -6.083 4.491 -3.295) 8.248 8.857 ( 6.083 4.491 3.295) 8.248 9.048 ( -7.763 -3.004 0.626) 8.348 9.048 ( 7.763 -3.004 -0.626) 8.348 9.963 ( 0.172 -1.953 -0.309) 1.985 9.963 ( -0.172 -1.953 0.309) 1.985 10.363 ( 1.111 1.687 -1.697) 2.638 10.363 ( -1.111 1.687 1.697) 2.638 12.849 ( -2.020 1.956 -1.937) 3.414 12.849 ( 2.020 1.956 1.937) 3.414 12.965 ( -2.490 -2.519 -2.734) 4.474 12.965 ( 2.490 -2.519 2.734) 4.474 14.610 ( -4.506 1.147 0.228) 4.656 14.610 ( 4.506 1.147 -0.228) 4.656 14.680 ( -4.005 -1.291 -1.981) 4.651 14.680 ( 4.005 -1.291 1.981) 4.651 17.159 ( 5.198 3.328 -12.959) 14.353 17.159 ( -5.198 3.328 12.959) 14.353 17.365 ( 6.438 -2.499 -13.627) 15.277 17.365 ( -6.438 -2.499 13.627) 15.277 21.286 ( 6.985 2.267 -12.537) 14.529 21.286 ( -6.985 2.267 12.537) 14.529 21.576 ( 7.784 -2.710 -11.573) 14.208 21.576 ( -7.784 -2.710 11.573) 14.208 ======================= Grid point 237 (130/138) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 6.148 4.930 -4.068) 8.868 2.037 ( -2.141 -2.042 -8.202) 8.720 2.100 ( 10.659 6.812 6.312) 14.137 2.358 ( 8.782 -0.463 6.303) 10.820 2.502 ( -2.082 1.875 -16.261) 16.500 2.566 ( -3.264 4.349 -9.671) 11.095 2.766 ( -1.228 -0.574 12.385) 12.459 2.857 ( 7.786 -1.396 -2.448) 8.280 3.175 ( -6.871 -4.278 4.501) 9.261 3.299 ( 0.356 -1.202 -5.911) 6.042 3.406 ( -0.181 3.153 3.862) 4.989 3.482 ( 0.247 -1.813 4.557) 4.911 3.522 ( -1.353 4.822 1.186) 5.147 3.619 ( -1.924 5.708 6.548) 8.897 3.773 ( -11.453 -4.793 -10.013) 15.950 3.903 ( 1.773 7.910 -12.678) 15.048 4.099 ( -3.942 -5.246 1.675) 6.773 4.144 ( -1.576 -4.361 9.316) 10.406 4.397 ( -2.125 -10.875 -5.478) 12.361 4.452 ( -2.595 -6.941 -3.736) 8.299 4.756 ( 0.668 0.219 -0.179) 0.726 4.827 ( 1.002 0.436 3.420) 3.590 4.904 ( 2.355 -0.210 -2.530) 3.463 4.908 ( 0.898 -1.440 3.635) 4.012 5.344 ( -2.077 1.302 -2.807) 3.727 5.462 ( 1.312 -2.585 -2.580) 3.881 5.500 ( 1.483 2.045 3.200) 4.077 5.566 ( 3.952 0.614 5.595) 6.877 5.863 ( -0.386 -4.072 -2.283) 4.685 5.892 ( -3.037 -3.219 7.764) 8.936 5.991 ( 0.414 5.559 3.210) 6.432 6.024 ( 1.729 5.265 -3.555) 6.584 6.164 ( -1.253 3.327 -0.194) 3.560 6.245 ( 2.824 0.032 -4.534) 5.342 6.299 ( -1.273 -5.337 -2.768) 6.146 6.371 ( -1.414 -3.929 1.004) 4.295 6.659 ( 0.563 3.284 -1.175) 3.533 6.721 ( -2.888 -0.949 0.933) 3.180 6.757 ( 3.050 -1.961 2.319) 4.304 6.817 ( 2.770 -2.902 2.019) 4.491 7.243 ( -2.202 5.761 0.239) 6.172 7.369 ( 0.854 1.518 5.753) 6.011 7.666 ( -1.701 3.064 1.299) 3.737 7.692 ( -0.079 2.534 0.794) 2.657 7.955 ( -6.429 0.217 -2.322) 6.839 8.002 ( -6.337 -0.880 -3.403) 7.246 8.466 ( -4.539 1.278 -3.758) 6.030 8.544 ( -3.541 -0.221 0.632) 3.603 8.837 ( 2.268 0.410 1.516) 2.759 8.919 ( -3.345 -0.002 0.038) 3.346 9.041 ( 6.161 1.432 4.882) 7.990 9.180 ( 7.329 -2.057 -1.183) 7.703 9.952 ( -1.361 -1.597 0.281) 2.117 9.958 ( -0.527 -2.068 -0.308) 2.156 10.323 ( -4.629 1.832 1.096) 5.097 10.338 ( -2.460 1.212 -1.822) 3.293 12.814 ( -0.718 1.653 -0.671) 1.923 12.907 ( 1.498 1.385 2.011) 2.865 12.922 ( -0.253 -1.372 0.249) 1.417 13.045 ( 3.175 -2.789 4.141) 5.917 14.399 ( -10.953 2.466 0.212) 11.229 14.541 ( -5.427 -3.286 -4.269) 7.647 14.771 ( 5.770 1.020 -4.168) 7.191 14.804 ( 11.729 -0.193 -8.425) 14.443 17.172 ( 4.925 2.959 -5.154) 7.718 17.205 ( 0.574 3.418 7.248) 8.034 17.380 ( -0.103 -2.699 5.887) 6.477 17.405 ( 4.694 -2.191 -2.811) 5.894 21.237 ( -7.790 2.888 10.136) 13.106 21.302 ( 3.246 2.573 -7.467) 8.539 21.555 ( -7.588 -2.149 17.826) 19.492 21.651 ( 5.842 -4.177 -1.934) 7.438 ======================= Grid point 238 (131/138) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.932 -1.922 -12.129) 12.315 2.003 ( 4.454 -3.638 0.412) 5.766 2.258 ( -1.635 6.651 -11.332) 13.241 2.348 ( 4.979 3.466 -7.375) 9.549 2.470 ( 4.451 12.204 -3.352) 13.416 2.527 ( 0.237 6.880 5.522) 8.825 2.883 ( 6.929 -4.433 0.051) 8.226 2.945 ( 4.662 -1.892 -3.695) 6.243 3.080 ( -8.455 -7.922 2.262) 11.805 3.181 ( -5.156 -6.762 -5.548) 10.153 3.344 ( -6.779 3.675 -3.477) 8.459 3.422 ( -6.251 6.103 2.764) 9.163 3.566 ( -5.396 -4.499 1.839) 7.263 3.626 ( 1.835 7.223 7.342) 10.461 3.669 ( 3.678 4.231 1.155) 5.724 3.891 ( 1.196 5.853 -2.852) 6.620 3.949 ( -8.858 -4.220 -4.771) 10.910 4.156 ( -1.208 -8.134 5.010) 9.629 4.274 ( -5.848 -9.311 -2.578) 11.293 4.387 ( 1.338 -8.038 -7.965) 11.395 4.796 ( 3.442 -0.347 -1.296) 3.694 4.857 ( -0.824 2.004 4.629) 5.111 4.925 ( 4.028 -1.549 -5.915) 7.322 4.982 ( 2.351 0.294 5.034) 5.564 5.318 ( 0.655 1.007 -0.193) 1.217 5.474 ( 1.800 -4.621 0.062) 4.959 5.564 ( 3.005 1.686 2.649) 4.346 5.683 ( 2.893 -2.054 5.974) 6.948 5.841 ( -1.659 -2.867 2.705) 4.277 5.922 ( -0.793 -3.154 7.765) 8.419 6.009 ( -2.274 6.480 2.850) 7.435 6.040 ( 4.649 2.957 -3.453) 6.503 6.170 ( 1.016 4.254 1.874) 4.758 6.236 ( 1.541 -1.292 -5.306) 5.674 6.275 ( 0.152 -2.422 -1.124) 2.674 6.345 ( -1.766 -2.585 -0.538) 3.177 6.647 ( -1.224 2.467 -1.537) 3.154 6.676 ( -1.635 1.864 -1.859) 3.099 6.791 ( -0.979 -2.526 0.687) 2.795 6.862 ( -0.685 -2.326 1.376) 2.788 7.213 ( -2.360 4.055 1.421) 4.902 7.380 ( -3.831 -1.735 2.838) 5.073 7.629 ( -3.955 3.849 0.466) 5.538 7.671 ( -4.450 2.797 0.676) 5.299 7.812 ( -7.049 -0.017 -3.842) 8.028 7.821 ( -7.233 -0.454 -1.757) 7.457 8.402 ( -0.654 3.518 -0.628) 3.633 8.551 ( 1.405 -1.869 6.323) 6.741 8.840 ( -0.832 0.876 1.482) 1.912 8.952 ( 4.112 -2.481 1.138) 4.936 9.160 ( 3.720 2.097 2.618) 5.010 9.272 ( 4.561 -0.750 -2.300) 5.163 9.913 ( -3.130 -0.932 -0.102) 3.268 9.935 ( -1.638 -2.235 -1.018) 2.952 10.219 ( -7.417 1.926 -0.125) 7.664 10.251 ( -5.288 0.470 -2.746) 5.977 12.814 ( 0.949 1.452 0.074) 1.736 12.908 ( 0.732 -2.023 -0.689) 2.259 12.971 ( 0.330 2.555 4.865) 5.505 13.119 ( 0.814 -3.032 4.007) 5.090 14.273 ( -2.921 3.026 1.005) 4.324 14.444 ( -1.061 -3.961 -4.504) 6.091 14.801 ( 3.090 2.654 -6.950) 8.055 14.897 ( 8.042 -1.349 -12.426) 14.863 17.241 ( 6.367 2.757 -3.424) 7.738 17.283 ( 1.793 3.585 6.532) 7.664 17.443 ( 2.653 -3.014 3.503) 5.328 17.475 ( 3.952 -2.064 0.460) 4.482 21.187 ( -7.159 3.642 11.072) 13.679 21.287 ( 1.226 3.162 -5.930) 6.831 21.578 ( -7.403 -2.223 20.511) 21.919 21.725 ( 1.781 -5.334 2.196) 6.037 ======================= Grid point 239 (132/138) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -1.259 -0.876 -9.497) 9.620 2.020 ( -1.425 -7.789 -2.364) 8.264 2.108 ( -0.646 8.819 -10.371) 13.628 2.376 ( 2.624 4.409 -7.875) 9.399 2.512 ( -3.555 8.324 4.402) 10.065 2.611 ( 7.944 10.504 -3.228) 13.560 2.754 ( -11.118 -4.642 -7.567) 14.228 2.922 ( -0.969 -2.375 -4.917) 5.546 3.046 ( -6.265 -9.922 -0.027) 11.735 3.168 ( 8.039 -5.112 -5.456) 10.979 3.246 ( -2.848 2.682 -3.748) 5.418 3.306 ( -4.954 7.314 7.795) 11.781 3.496 ( -4.712 -1.434 2.295) 5.434 3.667 ( 1.872 8.616 -4.432) 9.868 3.716 ( -9.463 -5.808 0.241) 11.106 3.756 ( -0.362 5.183 8.009) 9.547 3.952 ( 2.725 5.485 2.538) 6.629 4.194 ( 2.310 -4.064 -5.771) 7.427 4.242 ( 2.645 -11.123 5.453) 12.667 4.381 ( 3.082 -9.700 -3.378) 10.724 4.814 ( 1.966 -0.179 -5.211) 5.572 4.907 ( 1.134 0.588 7.413) 7.522 4.941 ( 2.692 -1.037 -6.598) 7.201 5.041 ( 1.143 -1.073 1.949) 2.502 5.373 ( 4.738 0.966 2.772) 5.574 5.535 ( 3.994 -5.244 2.085) 6.914 5.639 ( 2.583 0.440 2.802) 3.837 5.736 ( -1.137 -4.278 4.961) 6.649 5.851 ( 0.435 -0.085 0.727) 0.852 5.956 ( -1.182 -0.840 3.756) 4.026 6.012 ( -0.471 1.408 4.618) 4.851 6.100 ( 2.343 0.311 -3.074) 3.878 6.196 ( -1.657 2.472 8.707) 9.201 6.247 ( 5.776 0.216 -8.012) 9.879 6.282 ( 0.212 -0.890 0.849) 1.249 6.307 ( -1.302 -0.005 0.575) 1.423 6.599 ( -3.546 2.493 -2.372) 4.941 6.623 ( -0.464 4.140 -4.842) 6.387 6.727 ( -5.253 -1.467 -1.892) 5.773 6.794 ( -6.230 -2.399 -1.516) 6.846 7.167 ( -3.393 2.062 0.574) 4.012 7.308 ( -5.003 -2.319 0.160) 5.516 7.520 ( -6.945 3.200 -1.768) 7.849 7.550 ( -6.853 2.105 0.055) 7.169 7.721 ( -2.322 2.563 0.972) 3.592 7.751 ( -1.106 0.938 -0.092) 1.453 8.425 ( 2.781 3.101 1.306) 4.365 8.646 ( 0.451 -5.420 7.523) 9.282 8.880 ( 2.964 2.344 4.430) 5.822 9.026 ( 3.094 -3.582 0.354) 4.746 9.222 ( 2.098 2.642 1.194) 3.579 9.310 ( 2.482 0.295 -3.068) 3.957 9.850 ( -3.167 -0.363 -0.596) 3.243 9.885 ( -2.629 -2.205 -1.716) 3.837 10.077 ( -7.271 1.936 -1.477) 7.668 10.120 ( -6.318 -0.082 -3.495) 7.221 12.844 ( 2.105 1.392 0.349) 2.548 12.925 ( 1.195 -1.095 0.037) 1.621 12.994 ( -1.291 1.639 3.773) 4.312 13.123 ( -2.652 -2.648 1.427) 4.010 14.320 ( 4.240 2.001 6.068) 7.668 14.439 ( 3.075 -2.732 -1.842) 4.507 14.781 ( 1.092 2.655 -6.860) 7.437 14.892 ( 3.247 -1.830 -13.699) 14.197 17.325 ( 5.943 3.036 -3.550) 7.559 17.358 ( 0.715 3.831 5.962) 7.123 17.517 ( 3.667 -3.253 0.386) 4.917 17.541 ( 1.938 -2.346 2.611) 4.010 21.165 ( -5.002 3.825 10.665) 12.385 21.254 ( 0.372 3.418 -5.765) 6.712 21.613 ( -6.274 -2.547 18.578) 19.774 21.739 ( -1.089 -5.217 0.158) 5.332 ======================= Grid point 240 (133/138) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 4.777 -1.402 -3.316) 5.982 1.918 ( -7.605 -7.029 -1.824) 10.516 2.108 ( 7.789 8.867 -5.535) 13.036 2.259 ( -10.079 7.448 -0.486) 12.542 2.524 ( 1.815 3.411 -0.858) 3.958 2.570 ( -3.778 -1.389 -2.852) 4.933 2.678 ( 2.372 0.167 3.098) 3.905 2.810 ( -6.132 -2.063 -7.892) 10.204 2.987 ( 2.233 0.959 -0.188) 2.437 3.071 ( -5.595 5.230 -2.846) 8.171 3.306 ( 4.923 -3.381 -1.626) 6.190 3.358 ( -0.618 -1.173 2.022) 2.418 3.475 ( 2.164 1.265 5.081) 5.666 3.593 ( -5.665 -0.371 -1.839) 5.968 3.680 ( 4.242 2.057 -2.020) 5.129 3.758 ( -4.920 2.996 3.003) 6.496 4.049 ( 2.265 4.425 10.251) 11.393 4.154 ( 0.541 -0.648 -10.419) 10.453 4.351 ( 2.966 -8.520 4.797) 10.217 4.401 ( 0.766 -8.573 -2.663) 9.009 4.825 ( 2.974 -1.170 -1.712) 3.626 4.888 ( -2.904 -2.230 -2.912) 4.678 5.007 ( 3.362 0.429 3.836) 5.119 5.059 ( -0.136 -1.706 -0.837) 1.905 5.508 ( 6.895 0.724 2.723) 7.448 5.607 ( -0.488 -0.311 -0.116) 0.590 5.686 ( 2.389 -4.841 2.908) 6.132 5.746 ( -2.035 -5.182 3.281) 6.462 5.868 ( 1.565 -1.351 0.992) 2.293 5.935 ( -2.212 -2.552 -4.373) 5.525 6.025 ( 1.586 0.414 -1.388) 2.148 6.065 ( -4.269 0.906 5.175) 6.770 6.222 ( -0.249 -0.977 1.144) 1.525 6.257 ( -0.733 -1.101 -3.053) 3.327 6.338 ( 3.601 1.448 1.202) 4.063 6.362 ( 4.598 0.359 3.375) 5.715 6.497 ( -2.218 4.134 -1.686) 4.985 6.581 ( -2.518 2.906 -4.758) 6.118 6.634 ( -2.603 0.859 0.057) 2.742 6.662 ( -5.153 1.429 -2.046) 5.725 7.139 ( 0.422 1.970 0.853) 2.188 7.205 ( -5.497 0.168 -1.251) 5.640 7.429 ( -1.301 1.803 0.081) 2.225 7.459 ( -3.568 0.543 -0.405) 3.632 7.721 ( 0.293 2.778 1.794) 3.320 7.739 ( -0.353 2.228 -0.796) 2.392 8.516 ( 6.109 0.718 1.310) 6.289 8.630 ( -5.771 -3.243 1.776) 6.854 8.991 ( 3.283 -1.420 5.870) 6.874 9.051 ( 0.140 -3.486 -1.981) 4.011 9.271 ( 2.224 3.042 1.796) 4.175 9.312 ( 0.224 1.752 -2.986) 3.469 9.813 ( -0.518 -0.212 0.062) 0.563 9.832 ( -1.703 -1.087 -1.269) 2.386 9.972 ( -2.819 0.934 -0.124) 2.973 9.997 ( -3.871 -0.118 -2.826) 4.794 12.888 ( 2.558 1.577 0.042) 3.005 12.927 ( -1.677 1.375 0.521) 2.230 13.013 ( 1.555 -1.320 1.744) 2.684 13.069 ( -3.286 -2.150 -0.618) 3.975 14.458 ( 3.234 0.601 7.208) 7.923 14.492 ( 2.705 -0.530 -1.008) 2.935 14.753 ( 0.418 0.922 -0.932) 1.377 14.810 ( -0.668 -1.248 -10.672) 10.766 17.384 ( 4.329 3.467 -5.009) 7.473 17.395 ( -1.856 3.761 5.853) 7.200 17.569 ( 2.575 -3.101 -1.703) 4.376 17.577 ( -0.393 -2.756 2.799) 3.948 21.178 ( -2.557 3.599 9.057) 10.076 21.213 ( 0.849 3.437 -7.082) 7.918 21.653 ( -3.390 -3.169 13.181) 13.974 21.701 ( -0.078 -4.183 -6.095) 7.393 ======================= Grid point 245 (134/138) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.000 -0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.125 ( -0.000 0.000 -0.000) 0.000 2.125 ( -0.000 0.000 0.000) 0.000 2.676 ( 0.000 -0.000 -0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.694 ( -0.000 0.000 0.000) 0.000 2.694 ( -0.000 0.000 0.000) 0.000 3.268 ( -0.000 -0.000 0.000) 0.000 3.268 ( -0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.386 ( -0.000 -0.000 0.000) 0.000 3.784 ( 0.000 -0.000 -0.000) 0.000 3.784 ( -0.000 -0.000 0.000) 0.000 3.800 ( -0.000 0.000 -0.000) 0.000 3.800 ( -0.000 0.000 0.000) 0.000 4.199 ( -0.000 0.000 -0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.256 ( -0.000 -0.000 -0.000) 0.000 4.256 ( 0.000 -0.000 0.000) 0.000 4.779 ( -0.000 0.000 0.000) 0.000 4.779 ( -0.000 0.000 0.000) 0.000 4.878 ( -0.000 0.000 0.000) 0.000 4.878 ( -0.000 0.000 0.000) 0.000 5.425 ( -0.000 0.000 0.000) 0.000 5.425 ( 0.000 -0.000 0.000) 0.000 5.500 ( -0.000 0.000 -0.000) 0.000 5.500 ( -0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 6.160 ( -0.000 -0.000 0.000) 0.000 6.160 ( -0.000 0.000 0.000) 0.001 6.162 ( 0.000 -0.000 -0.000) 0.001 6.162 ( 0.000 0.000 -0.000) 0.000 6.252 ( 0.000 0.000 -0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.710 ( -0.000 -0.000 0.000) 0.000 6.710 ( -0.000 0.000 0.000) 0.000 6.727 ( 0.000 -0.000 -0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.348 ( -0.000 -0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.712 ( -0.000 0.000 0.000) 0.000 7.712 ( -0.000 0.000 0.000) 0.000 8.055 ( -0.000 0.000 0.000) 0.000 8.055 ( -0.000 0.000 0.000) 0.000 8.550 ( -0.000 0.000 0.000) 0.000 8.550 ( -0.000 0.000 0.000) 0.000 8.955 ( -0.000 -0.000 0.000) 0.000 8.955 ( -0.000 0.000 0.000) 0.000 8.966 ( 0.000 -0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.939 ( -0.000 0.000 0.000) 0.000 9.939 ( -0.000 0.000 0.000) 0.000 10.384 ( -0.000 -0.000 0.000) 0.000 10.384 ( -0.000 0.000 0.000) 0.000 12.899 ( -0.000 0.000 -0.000) 0.000 12.899 ( -0.000 0.000 -0.000) 0.000 12.908 ( -0.000 -0.000 -0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 14.633 ( -0.000 -0.000 0.000) 0.000 14.633 ( -0.000 0.000 0.000) 0.000 14.655 ( -0.000 0.000 -0.000) 0.000 14.655 ( 0.000 0.000 -0.000) 0.000 17.213 ( -0.000 -0.000 0.000) 0.000 17.213 ( -0.000 0.000 0.000) 0.000 17.321 ( 0.000 -0.000 -0.000) 0.000 17.322 ( -0.000 0.000 0.000) 0.000 21.320 ( 0.000 0.000 0.000) 0.000 21.320 ( -0.000 0.000 0.000) 0.000 21.536 ( 0.000 0.000 0.000) 0.000 21.536 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 249 (135/138) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.108 -3.708 -4.331) 5.702 1.969 ( -0.108 3.708 -4.331) 5.702 2.261 ( 10.861 -7.812 -0.760) 13.400 2.261 ( 10.861 7.812 -0.760) 13.400 2.603 ( 1.535 -3.748 -10.530) 11.282 2.603 ( 1.535 3.748 -10.530) 11.282 2.775 ( 0.483 -2.897 10.416) 10.823 2.775 ( 0.483 2.897 10.416) 10.823 3.216 ( -5.099 -6.225 -2.066) 8.308 3.216 ( -5.099 6.225 -2.066) 8.308 3.456 ( 4.331 -2.559 2.785) 5.750 3.456 ( 4.331 2.559 2.785) 5.750 3.649 ( -5.615 -6.617 -7.627) 11.554 3.649 ( -5.615 6.617 -7.627) 11.554 3.801 ( -6.791 -13.864 10.299) 18.558 3.801 ( -6.791 13.864 10.299) 18.558 4.116 ( -0.919 -11.493 -8.919) 14.577 4.116 ( -0.919 11.493 -8.919) 14.577 4.294 ( -1.545 -7.021 -0.101) 7.189 4.294 ( -1.545 7.021 -0.101) 7.189 4.788 ( 1.456 -2.612 -0.296) 3.005 4.788 ( 1.456 2.612 -0.296) 3.005 4.905 ( 1.860 -1.238 2.251) 3.171 4.905 ( 1.860 1.238 2.251) 3.171 5.394 ( -0.976 -3.438 -2.919) 4.615 5.394 ( -0.976 3.438 -2.919) 4.615 5.545 ( 2.539 -2.130 3.245) 4.639 5.545 ( 2.539 2.130 3.245) 4.639 5.833 ( -2.658 -1.339 4.636) 5.509 5.833 ( -2.658 1.339 4.636) 5.509 6.130 ( 3.606 -6.510 -9.597) 12.145 6.130 ( 3.606 6.510 -9.597) 12.145 6.166 ( -2.199 -7.117 4.033) 8.471 6.166 ( -2.199 7.117 4.033) 8.471 6.283 ( 0.506 -3.295 2.254) 4.024 6.283 ( 0.506 3.295 2.254) 4.024 6.702 ( -0.687 -0.906 0.037) 1.137 6.702 ( -0.687 0.906 0.037) 1.137 6.763 ( 2.685 -2.389 1.188) 3.785 6.763 ( 2.685 2.389 1.188) 3.785 7.348 ( -1.441 -3.633 1.859) 4.328 7.348 ( -1.441 3.633 1.859) 4.328 7.715 ( -0.674 -0.778 1.767) 2.045 7.715 ( -0.674 0.778 1.767) 2.045 7.974 ( -7.033 -1.556 -3.281) 7.915 7.974 ( -7.033 1.556 -3.281) 7.915 8.511 ( -2.798 -2.624 -0.490) 3.867 8.511 ( -2.798 2.624 -0.490) 3.867 8.877 ( -2.143 -3.025 0.746) 3.782 8.877 ( -2.143 3.025 0.746) 3.782 9.111 ( 7.502 -4.384 1.651) 8.845 9.111 ( 7.502 4.384 1.651) 8.845 9.933 ( -0.819 -0.090 0.022) 0.824 9.933 ( -0.819 0.090 0.022) 0.824 10.349 ( -3.637 -0.412 -0.612) 3.711 10.349 ( -3.637 0.412 -0.612) 3.711 12.861 ( -0.734 -2.852 -1.289) 3.214 12.861 ( -0.734 2.852 -1.289) 3.214 12.976 ( 2.570 -3.698 4.195) 6.154 12.976 ( 2.570 3.698 4.195) 6.154 14.465 ( -8.549 -3.825 -1.533) 9.490 14.465 ( -8.549 3.825 -1.533) 9.490 14.792 ( 9.257 -0.927 -6.729) 11.482 14.792 ( 9.257 0.927 -6.729) 11.482 17.237 ( 2.730 -1.979 0.257) 3.382 17.237 ( 2.730 1.979 0.257) 3.382 17.354 ( 2.225 -1.670 2.306) 3.613 17.354 ( 2.225 1.670 2.306) 3.613 21.306 ( -4.220 -2.802 6.364) 8.134 21.306 ( -4.220 2.802 6.364) 8.134 21.561 ( 1.100 -3.482 2.906) 4.667 21.561 ( 1.100 3.482 2.906) 4.667 ======================= Grid point 251 (136/138) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.007 -2.498 -6.043) 6.539 1.932 ( -0.007 2.498 -6.043) 6.539 2.368 ( 5.661 -3.160 -12.937) 14.471 2.368 ( 5.661 3.160 -12.937) 14.471 2.636 ( 6.680 -0.791 0.225) 6.730 2.636 ( 6.680 0.791 0.225) 6.730 2.859 ( 0.159 -3.678 8.380) 9.153 2.859 ( 0.159 3.678 8.380) 9.153 3.039 ( -9.203 -4.980 -7.572) 12.916 3.039 ( -9.203 4.980 -7.572) 12.916 3.449 ( -3.689 -5.893 -0.670) 6.985 3.449 ( -3.689 5.893 -0.670) 6.985 3.617 ( -0.490 -9.878 0.315) 9.895 3.617 ( -0.490 9.878 0.315) 9.895 3.778 ( -2.367 -7.556 9.570) 12.421 3.778 ( -2.367 7.556 9.570) 12.421 4.039 ( -1.930 -7.135 -2.940) 7.955 4.039 ( -1.930 7.135 -2.940) 7.955 4.207 ( -2.086 -6.399 -7.020) 9.725 4.207 ( -2.086 6.399 -7.020) 9.725 4.823 ( 3.341 -2.710 -2.639) 5.047 4.823 ( 3.341 2.710 -2.639) 5.047 4.960 ( 1.415 -2.950 2.835) 4.329 4.960 ( 1.415 2.950 2.835) 4.329 5.375 ( 0.877 -4.372 -0.437) 4.481 5.375 ( 0.877 4.372 -0.437) 4.481 5.613 ( 2.140 -3.376 2.669) 4.807 5.613 ( 2.140 3.376 2.669) 4.807 5.849 ( -0.748 -2.910 7.162) 7.767 5.849 ( -0.748 2.910 7.162) 7.767 6.119 ( 0.114 -1.596 -3.717) 4.047 6.119 ( 0.114 1.596 -3.717) 4.047 6.176 ( 2.302 -2.810 -0.461) 3.662 6.176 ( 2.302 2.810 -0.461) 3.662 6.291 ( -1.026 -3.008 2.105) 3.812 6.291 ( -1.026 3.008 2.105) 3.812 6.686 ( -0.450 -0.967 -1.576) 1.903 6.686 ( -0.450 0.967 -1.576) 1.903 6.800 ( -0.343 -2.879 -0.016) 2.899 6.800 ( -0.343 2.879 -0.016) 2.899 7.308 ( -4.216 -4.762 0.759) 6.405 7.308 ( -4.216 4.762 0.759) 6.405 7.691 ( -4.588 -1.248 0.914) 4.842 7.691 ( -4.588 1.248 0.914) 4.842 7.815 ( -6.302 -0.444 -1.778) 6.563 7.815 ( -6.302 0.444 -1.778) 6.563 8.487 ( -0.406 -4.274 2.342) 4.890 8.487 ( -0.406 4.274 2.342) 4.890 8.885 ( 1.574 -3.358 1.731) 4.093 8.885 ( 1.574 3.358 1.731) 4.093 9.226 ( 4.493 -3.495 0.474) 5.712 9.226 ( 4.493 3.495 0.474) 5.712 9.905 ( -2.268 -0.456 -0.404) 2.348 9.905 ( -2.268 0.456 -0.404) 2.348 10.249 ( -6.396 -0.796 -1.831) 6.700 10.249 ( -6.396 0.796 -1.831) 6.700 12.857 ( 0.923 -2.621 -0.371) 2.804 12.857 ( 0.923 2.621 -0.371) 2.804 13.043 ( 0.539 -4.135 4.565) 6.183 13.043 ( 0.539 4.135 4.565) 6.183 14.353 ( -2.192 -4.600 -1.248) 5.246 14.353 ( -2.192 4.600 -1.248) 5.246 14.857 ( 5.775 -2.567 -10.158) 11.963 14.857 ( 5.775 2.567 -10.158) 11.963 17.309 ( 4.788 -2.652 0.559) 5.502 17.309 ( 4.788 2.652 0.559) 5.502 17.420 ( 2.558 -2.257 2.964) 4.519 17.420 ( 2.558 2.257 2.964) 4.519 21.280 ( -5.170 -4.234 8.243) 10.612 21.280 ( -5.170 4.234 8.243) 10.612 21.603 ( -0.538 -5.234 5.670) 7.735 21.603 ( -0.538 5.234 5.670) 7.735 ======================= Grid point 253 (137/138) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -1.272 -5.172 -6.218) 8.187 1.870 ( -1.272 5.172 -6.218) 8.187 2.320 ( 1.566 -9.256 -11.213) 14.623 2.320 ( 1.566 9.256 -11.213) 14.623 2.669 ( -2.652 -5.457 -3.657) 7.085 2.669 ( -2.652 5.457 -3.657) 7.085 2.820 ( -9.275 -9.441 0.762) 13.257 2.820 ( -9.275 9.441 0.762) 13.257 2.995 ( 9.455 -8.440 -1.984) 12.829 2.995 ( 9.455 8.440 -1.984) 12.829 3.383 ( -5.073 -4.876 0.763) 7.078 3.383 ( -5.073 4.876 0.763) 7.078 3.526 ( -6.486 -10.587 3.190) 12.819 3.526 ( -6.486 10.587 3.190) 12.819 3.818 ( -1.112 -2.735 0.857) 3.074 3.818 ( -1.112 2.735 0.857) 3.074 4.052 ( 3.115 -4.523 3.219) 6.366 4.052 ( 3.115 4.523 3.219) 6.366 4.187 ( 4.411 -5.975 -3.400) 8.168 4.187 ( 4.411 5.975 -3.400) 8.168 4.848 ( 2.737 -3.217 -5.490) 6.927 4.848 ( 2.737 3.217 -5.490) 6.927 4.993 ( 0.266 -3.677 2.938) 4.714 4.993 ( 0.266 3.677 2.938) 4.714 5.429 ( 4.447 -4.465 2.150) 6.659 5.429 ( 4.447 4.465 2.150) 6.659 5.662 ( 0.679 -2.336 3.421) 4.198 5.662 ( 0.679 2.336 3.421) 4.198 5.890 ( 0.130 -3.460 2.125) 4.062 5.890 ( 0.130 3.460 2.125) 4.062 6.070 ( -3.584 -2.546 0.644) 4.443 6.070 ( -3.584 2.546 0.644) 4.443 6.239 ( 5.209 -1.322 -2.166) 5.794 6.239 ( 5.209 1.322 -2.166) 5.794 6.294 ( -1.169 -1.535 4.204) 4.626 6.294 ( -1.169 1.535 4.204) 4.626 6.652 ( -1.751 -2.242 -3.639) 4.619 6.652 ( -1.751 2.242 -3.639) 4.619 6.736 ( -4.480 -3.077 -2.360) 5.925 6.736 ( -4.480 3.077 -2.360) 5.925 7.234 ( -3.812 -4.146 -0.176) 5.635 7.234 ( -3.812 4.146 -0.176) 5.635 7.568 ( -7.656 -0.815 -0.446) 7.712 7.568 ( -7.656 0.815 -0.446) 7.712 7.760 ( -1.035 -0.768 1.227) 1.780 7.760 ( -1.035 0.768 1.227) 1.780 8.521 ( 0.924 -6.146 3.530) 7.148 8.521 ( 0.924 6.146 3.530) 7.148 8.944 ( 2.568 -3.900 2.697) 5.392 8.944 ( 2.568 3.900 2.697) 5.392 9.285 ( 2.618 -2.715 -0.574) 3.815 9.285 ( 2.618 2.715 -0.574) 3.815 9.852 ( -2.746 -0.788 -0.842) 2.979 9.852 ( -2.746 0.788 -0.842) 2.979 10.109 ( -6.838 -1.064 -2.888) 7.499 10.109 ( -6.838 1.064 -2.888) 7.499 12.884 ( 2.113 -2.393 0.239) 3.201 12.884 ( 2.113 2.393 0.239) 3.201 13.055 ( -2.348 -3.702 2.634) 5.114 13.055 ( -2.348 3.702 2.634) 5.114 14.375 ( 3.562 -3.247 2.607) 5.480 14.375 ( 3.562 3.247 2.607) 5.480 14.841 ( 2.123 -3.011 -10.826) 11.436 14.841 ( 2.123 3.011 -10.826) 11.436 17.398 ( 4.590 -2.587 -0.013) 5.269 17.398 ( 4.590 2.587 -0.013) 5.269 17.480 ( 1.575 -2.286 2.716) 3.884 17.480 ( 1.575 2.286 2.716) 3.884 21.258 ( -3.932 -3.767 6.489) 8.471 21.258 ( -3.932 3.767 6.489) 8.471 21.625 ( -1.979 -4.546 5.348) 7.293 21.625 ( -1.979 4.546 5.348) 7.293 ======================= Grid point 255 (138/138) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.834 -3.067 -2.887) 4.294 1.809 ( -0.834 3.067 -2.887) 4.294 2.282 ( 1.473 -6.139 -4.751) 7.901 2.282 ( 1.473 6.139 -4.751) 7.901 2.598 ( -2.670 -5.107 0.490) 5.784 2.598 ( -2.670 5.107 0.490) 5.784 2.664 ( -5.553 -8.628 -2.023) 10.459 2.664 ( -5.553 8.628 -2.023) 10.459 3.134 ( 7.825 -8.876 -3.932) 12.469 3.134 ( 7.825 8.876 -3.932) 12.469 3.270 ( -6.361 -7.894 0.428) 10.147 3.270 ( -6.361 7.894 0.427) 10.147 3.543 ( 0.954 -4.718 8.279) 9.576 3.543 ( 0.954 4.718 8.279) 9.576 3.748 ( -3.251 -3.955 -4.771) 6.998 3.748 ( -3.251 3.955 -4.771) 6.998 4.150 ( 3.472 -3.302 2.650) 5.476 4.150 ( 3.472 3.302 2.650) 5.476 4.239 ( 1.740 -3.417 -0.771) 3.911 4.239 ( 1.740 3.417 -0.771) 3.911 4.835 ( 0.432 -2.043 -3.038) 3.686 4.835 ( 0.432 2.043 -3.038) 3.686 5.025 ( 0.789 -1.390 1.474) 2.174 5.025 ( 0.789 1.390 1.474) 2.174 5.550 ( 6.892 -3.567 1.311) 7.870 5.550 ( 6.892 3.567 1.311) 7.870 5.667 ( -4.259 -2.234 3.307) 5.836 5.667 ( -4.259 2.234 3.307) 5.836 5.875 ( -0.310 -2.170 -2.743) 3.511 5.875 ( -0.310 2.170 -2.743) 3.511 6.048 ( 0.053 -1.602 1.808) 2.416 6.048 ( 0.053 1.602 1.808) 2.416 6.236 ( -2.479 -1.238 -0.887) 2.909 6.236 ( -2.479 1.238 -0.887) 2.909 6.357 ( 2.960 -0.636 1.949) 3.600 6.357 ( 2.960 0.636 1.949) 3.600 6.580 ( -1.882 -3.115 -1.468) 3.924 6.580 ( -1.882 3.115 -1.468) 3.924 6.664 ( -1.824 -1.550 -1.802) 2.996 6.664 ( -1.824 1.550 -1.802) 2.996 7.183 ( -1.524 -2.037 -0.294) 2.561 7.183 ( -1.524 2.037 -0.294) 2.561 7.460 ( -3.517 -0.829 -0.058) 3.614 7.460 ( -3.517 0.829 -0.058) 3.614 7.764 ( 0.120 -0.557 0.735) 0.930 7.764 ( 0.120 0.557 0.735) 0.930 8.555 ( 0.407 -3.311 1.553) 3.680 8.555 ( 0.407 3.311 1.553) 3.680 8.994 ( 0.816 -1.711 1.434) 2.376 8.994 ( 0.816 1.711 1.434) 2.376 9.319 ( 1.471 -1.223 -0.291) 1.935 9.319 ( 1.471 1.223 -0.291) 1.935 9.814 ( -0.803 -0.472 -0.265) 0.968 9.814 ( -0.803 0.472 -0.265) 0.968 9.990 ( -3.595 -0.657 -1.805) 4.076 9.990 ( -3.595 0.657 -1.805) 4.076 12.927 ( 2.050 -1.763 0.286) 2.719 12.927 ( 2.050 1.763 0.286) 2.719 13.018 ( -2.460 -2.230 0.577) 3.370 13.018 ( -2.460 2.230 0.577) 3.370 14.475 ( 3.101 -0.996 3.653) 4.895 14.475 ( 3.101 0.996 3.653) 4.895 14.780 ( -0.313 -1.604 -6.378) 6.584 14.780 ( -0.313 1.604 -6.378) 6.584 17.457 ( 1.974 -1.274 -0.360) 2.377 17.457 ( 1.974 1.274 -0.360) 2.377 17.514 ( 0.380 -1.157 1.331) 1.804 17.514 ( 0.380 1.157 1.331) 1.804 21.245 ( -1.458 -1.511 2.441) 3.220 21.245 ( -1.458 1.511 2.441) 3.220 21.625 ( -1.094 -1.776 2.108) 2.966 21.625 ( -1.094 1.776 2.108) 2.966 =================== 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 3/25920 10.0 239.476 172.768 213.702 0.000 -2.050 0.000 3/25920 20.0 52.893 45.021 55.646 0.000 2.178 0.000 3/25920 30.0 21.153 19.208 22.432 0.000 1.067 0.000 3/25920 40.0 11.297 10.702 12.001 0.000 0.616 0.000 3/25920 50.0 7.136 6.920 7.635 0.000 0.376 0.000 3/25920 60.0 5.022 4.930 5.430 0.000 0.238 0.000 3/25920 70.0 3.805 3.760 4.163 0.000 0.157 0.000 3/25920 80.0 3.039 3.012 3.363 0.000 0.106 0.000 3/25920 90.0 2.524 2.503 2.822 0.000 0.073 0.000 3/25920 100.0 2.159 2.140 2.437 0.000 0.050 0.000 3/25920 110.0 1.891 1.870 2.152 0.000 0.034 0.000 3/25920 120.0 1.686 1.663 1.936 0.000 0.021 0.000 3/25920 130.0 1.527 1.500 1.768 0.000 0.010 0.000 3/25920 140.0 1.400 1.370 1.635 0.000 0.001 0.000 3/25920 150.0 1.296 1.263 1.529 0.000 -0.007 0.000 3/25920 160.0 1.212 1.174 1.443 0.000 -0.015 0.000 3/25920 170.0 1.141 1.099 1.372 0.000 -0.022 0.000 3/25920 180.0 1.080 1.035 1.313 0.000 -0.028 0.000 3/25920 190.0 1.029 0.980 1.263 0.000 -0.034 0.000 3/25920 200.0 0.984 0.932 1.220 0.000 -0.040 0.000 3/25920 210.0 0.944 0.889 1.183 0.000 -0.045 0.000 3/25920 220.0 0.909 0.851 1.150 0.000 -0.049 0.000 3/25920 230.0 0.878 0.817 1.121 0.000 -0.053 0.000 3/25920 240.0 0.850 0.787 1.094 0.000 -0.057 0.000 3/25920 250.0 0.824 0.759 1.070 0.000 -0.060 0.000 3/25920 260.0 0.800 0.733 1.047 0.000 -0.063 0.000 3/25920 270.0 0.778 0.710 1.026 0.000 -0.066 0.000 3/25920 280.0 0.758 0.688 1.006 0.000 -0.068 0.000 3/25920 290.0 0.738 0.668 0.987 0.000 -0.070 0.000 3/25920 300.0 0.720 0.649 0.969 0.000 -0.072 0.000 3/25920 310.0 0.703 0.631 0.952 0.000 -0.073 0.000 3/25920 320.0 0.687 0.614 0.935 0.000 -0.074 0.000 3/25920 330.0 0.672 0.599 0.919 0.000 -0.075 0.000 3/25920 340.0 0.658 0.584 0.904 0.000 -0.076 0.000 3/25920 350.0 0.644 0.570 0.888 0.000 -0.077 0.000 3/25920 360.0 0.630 0.556 0.874 0.000 -0.077 0.000 3/25920 370.0 0.618 0.544 0.859 0.000 -0.077 0.000 3/25920 380.0 0.606 0.531 0.845 0.000 -0.077 0.000 3/25920 390.0 0.594 0.520 0.832 0.000 -0.078 0.000 3/25920 400.0 0.582 0.509 0.819 0.000 -0.078 0.000 3/25920 410.0 0.572 0.498 0.806 0.000 -0.077 0.000 3/25920 420.0 0.561 0.488 0.793 0.000 -0.077 0.000 3/25920 430.0 0.551 0.478 0.781 0.000 -0.077 0.000 3/25920 440.0 0.541 0.469 0.769 0.000 -0.077 0.000 3/25920 450.0 0.532 0.460 0.757 0.000 -0.076 0.000 3/25920 460.0 0.523 0.451 0.746 0.000 -0.076 0.000 3/25920 470.0 0.514 0.443 0.735 0.000 -0.075 0.000 3/25920 480.0 0.505 0.435 0.724 0.000 -0.075 0.000 3/25920 490.0 0.497 0.427 0.713 0.000 -0.074 0.000 3/25920 500.0 0.489 0.420 0.703 0.000 -0.074 0.000 3/25920 510.0 0.481 0.413 0.693 0.000 -0.073 0.000 3/25920 520.0 0.473 0.406 0.683 0.000 -0.073 0.000 3/25920 530.0 0.466 0.399 0.673 0.000 -0.072 0.000 3/25920 540.0 0.459 0.392 0.664 0.000 -0.072 0.000 3/25920 550.0 0.452 0.386 0.655 0.000 -0.071 0.000 3/25920 560.0 0.445 0.380 0.646 0.000 -0.070 0.000 3/25920 570.0 0.439 0.374 0.637 0.000 -0.070 0.000 3/25920 580.0 0.432 0.368 0.628 0.000 -0.069 0.000 3/25920 590.0 0.426 0.362 0.620 0.000 -0.068 0.000 3/25920 600.0 0.420 0.357 0.612 0.000 -0.068 0.000 3/25920 610.0 0.414 0.352 0.604 0.000 -0.067 0.000 3/25920 620.0 0.408 0.347 0.596 0.000 -0.067 0.000 3/25920 630.0 0.403 0.342 0.588 0.000 -0.066 0.000 3/25920 640.0 0.397 0.337 0.581 0.000 -0.065 0.000 3/25920 650.0 0.392 0.332 0.574 0.000 -0.065 0.000 3/25920 660.0 0.387 0.327 0.567 0.000 -0.064 0.000 3/25920 670.0 0.382 0.323 0.560 0.000 -0.064 0.000 3/25920 680.0 0.377 0.319 0.553 0.000 -0.063 0.000 3/25920 690.0 0.372 0.314 0.546 0.000 -0.062 0.000 3/25920 700.0 0.367 0.310 0.540 0.000 -0.062 0.000 3/25920 710.0 0.363 0.306 0.533 0.000 -0.061 0.000 3/25920 720.0 0.358 0.302 0.527 0.000 -0.061 0.000 3/25920 730.0 0.354 0.298 0.521 0.000 -0.060 0.000 3/25920 740.0 0.350 0.295 0.515 0.000 -0.059 0.000 3/25920 750.0 0.345 0.291 0.509 0.000 -0.059 0.000 3/25920 760.0 0.341 0.287 0.503 0.000 -0.058 0.000 3/25920 770.0 0.337 0.284 0.497 0.000 -0.058 0.000 3/25920 780.0 0.333 0.281 0.492 0.000 -0.057 0.000 3/25920 790.0 0.330 0.277 0.487 0.000 -0.057 0.000 3/25920 800.0 0.326 0.274 0.481 0.000 -0.056 0.000 3/25920 810.0 0.322 0.271 0.476 0.000 -0.056 0.000 3/25920 820.0 0.319 0.268 0.471 0.000 -0.055 0.000 3/25920 830.0 0.315 0.265 0.466 0.000 -0.055 0.000 3/25920 840.0 0.312 0.262 0.461 0.000 -0.054 0.000 3/25920 850.0 0.308 0.259 0.456 0.000 -0.054 0.000 3/25920 860.0 0.305 0.256 0.452 0.000 -0.053 0.000 3/25920 870.0 0.302 0.253 0.447 0.000 -0.053 0.000 3/25920 880.0 0.299 0.250 0.442 0.000 -0.052 0.000 3/25920 890.0 0.296 0.248 0.438 0.000 -0.052 0.000 3/25920 900.0 0.293 0.245 0.434 0.000 -0.051 0.000 3/25920 910.0 0.290 0.243 0.429 0.000 -0.051 0.000 3/25920 920.0 0.287 0.240 0.425 0.000 -0.050 0.000 3/25920 930.0 0.284 0.238 0.421 0.000 -0.050 0.000 3/25920 940.0 0.281 0.235 0.417 0.000 -0.050 0.000 3/25920 950.0 0.278 0.233 0.413 0.000 -0.049 0.000 3/25920 960.0 0.276 0.231 0.409 0.000 -0.049 0.000 3/25920 970.0 0.273 0.228 0.405 0.000 -0.048 0.000 3/25920 980.0 0.270 0.226 0.402 0.000 -0.048 0.000 3/25920 990.0 0.268 0.224 0.398 0.000 -0.047 0.000 3/25920 1000.0 0.265 0.222 0.394 0.000 -0.047 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:33:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|