----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:11:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298436750132307 -2.561220190000000 0.000000000000000 b 8.298436750132307 2.561220190000000 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): *1 O 0.16566077458685 0.14869063409157 0.39596047931449 15.999 2 O 0.85130936590843 0.83433922541316 0.10403952068552 15.999 3 O 0.83433922541315 0.85130936590843 0.60403952068552 15.999 4 O 0.14869063409157 0.16566077458684 0.89596047931448 15.999 *5 O 0.75291670730965 0.68797116577949 0.32825685550445 15.999 6 O 0.31202883422051 0.24708329269035 0.17174314449555 15.999 7 O 0.24708329269035 0.31202883422051 0.67174314449555 15.999 8 O 0.68797116577949 0.75291670730965 0.82825685550445 15.999 *9 O 0.67125771899025 0.45285641330632 0.32740125331431 15.999 10 O 0.54714358669368 0.32874228100975 0.17259874668569 15.999 11 O 0.32874228100975 0.54714358669368 0.67259874668569 15.999 12 O 0.45285641330632 0.67125771899025 0.82740125331431 15.999 *13 O 0.94029169786855 0.96698561756332 0.34846864077037 15.999 14 O 0.03301438243668 0.05970830213144 0.15153135922963 15.999 15 O 0.05970830213144 0.03301438243668 0.65153135922963 15.999 16 O 0.96698561756332 0.94029169786855 0.84846864077037 15.999 *17 O 0.40996185276624 0.29220508013744 0.96590591621289 15.999 18 O 0.70779491986256 0.59003814723376 0.53409408378711 15.999 19 O 0.59003814723376 0.70779491986256 0.03409408378711 15.999 20 O 0.29220508013745 0.40996185276624 0.46590591621289 15.999 *21 Na 0.28553939462718 0.80936116285419 0.46789211594654 22.990 22 Na 0.19063883714581 0.71446060537282 0.03210788405346 22.990 23 Na 0.71446060537282 0.19063883714581 0.53210788405346 22.990 24 Na 0.80936116285419 0.28553939462718 0.96789211594654 22.990 *25 Si 0.84264390157806 0.45954758173229 0.39900199495690 28.085 26 Si 0.54045241826771 0.15735609842194 0.10099800504310 28.085 27 Si 0.15735609842194 0.54045241826771 0.60099800504310 28.085 28 Si 0.45954758173229 0.84264390157806 0.89900199495690 28.085 *29 Si 0.81809081766436 0.18190918233564 0.25000000000000 28.085 30 Si 0.18190918233564 0.81809081766436 0.75000000000000 28.085 *31 Cd 0.05400839402323 0.62924129212466 0.29390124760284 112.411 32 Cd 0.37075870787534 0.94599160597677 0.20609875239715 112.411 33 Cd 0.94599160597677 0.37075870787534 0.70609875239716 112.411 34 Cd 0.62924129212466 0.05400839402323 0.79390124760284 112.411 *35 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 36 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.596873500264614 0.000000000000000 0.000000000000000 b 0.000000000000000 5.122440380000000 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): *1 O 0.15717570433921 0.99151492975236 0.39596047931449 15.999 > 1 2 O 0.34282429566079 0.49151492975236 0.10403952068552 15.999 > 2 3 O 0.34282429566079 0.50848507024764 0.60403952068552 15.999 > 3 4 O 0.15717570433921 0.00848507024764 0.89596047931448 15.999 > 4 *5 O 0.22044393654457 0.46752722923492 0.32825685550445 15.999 > 5 6 O 0.27955606345543 0.96752722923492 0.17174314449555 15.999 > 6 7 O 0.27955606345543 0.03247277076508 0.67174314449555 15.999 > 7 8 O 0.22044393654457 0.53247277076508 0.82825685550445 15.999 > 8 *9 O 0.06205706614829 0.39079934715803 0.32740125331431 15.999 > 9 10 O 0.43794293385171 0.89079934715803 0.17259874668569 15.999 > 10 11 O 0.43794293385171 0.10920065284197 0.67259874668569 15.999 > 11 12 O 0.06205706614829 0.60920065284197 0.82740125331431 15.999 > 12 *13 O 0.45363865771594 0.51334695984738 0.34846864077037 15.999 > 13 14 O 0.04636134228406 0.01334695984738 0.15153135922963 15.999 > 14 15 O 0.04636134228406 0.98665304015262 0.65153135922963 15.999 > 15 16 O 0.45363865771594 0.48665304015262 0.84846864077037 15.999 > 16 *17 O 0.35108346645184 0.94112161368560 0.96590591621289 15.999 > 17 18 O 0.14891653354816 0.44112161368560 0.53409408378711 15.999 > 18 19 O 0.14891653354816 0.55887838631440 0.03409408378711 15.999 > 19 20 O 0.35108346645184 0.05887838631440 0.46590591621289 15.999 > 20 21 O 0.65717570433921 0.49151492975236 0.39596047931449 15.999 > 1 22 O 0.84282429566079 0.99151492975236 0.10403952068552 15.999 > 2 23 O 0.84282429566079 0.00848507024764 0.60403952068552 15.999 > 3 24 O 0.65717570433921 0.50848507024764 0.89596047931448 15.999 > 4 25 O 0.72044393654457 0.96752722923492 0.32825685550445 15.999 > 5 26 O 0.77955606345543 0.46752722923492 0.17174314449555 15.999 > 6 27 O 0.77955606345543 0.53247277076508 0.67174314449555 15.999 > 7 28 O 0.72044393654457 0.03247277076508 0.82825685550445 15.999 > 8 29 O 0.56205706614829 0.89079934715803 0.32740125331431 15.999 > 9 30 O 0.93794293385171 0.39079934715803 0.17259874668569 15.999 > 10 31 O 0.93794293385171 0.60920065284197 0.67259874668569 15.999 > 11 32 O 0.56205706614829 0.10920065284197 0.82740125331431 15.999 > 12 33 O 0.95363865771594 0.01334695984738 0.34846864077037 15.999 > 13 34 O 0.54636134228406 0.51334695984738 0.15153135922963 15.999 > 14 35 O 0.54636134228406 0.48665304015262 0.65153135922963 15.999 > 15 36 O 0.95363865771594 0.98665304015262 0.84846864077037 15.999 > 16 37 O 0.85108346645184 0.44112161368560 0.96590591621289 15.999 > 17 38 O 0.64891653354816 0.94112161368560 0.53409408378711 15.999 > 18 39 O 0.64891653354816 0.05887838631440 0.03409408378711 15.999 > 19 40 O 0.85108346645184 0.55887838631440 0.46590591621289 15.999 > 20 *41 Na 0.04745027874068 0.76191088411351 0.46789211594654 22.990 > 21 42 Na 0.45254972125932 0.26191088411350 0.03210788405346 22.990 > 22 43 Na 0.45254972125932 0.73808911588649 0.53210788405346 22.990 > 23 44 Na 0.04745027874068 0.23808911588650 0.96789211594654 22.990 > 24 45 Na 0.54745027874068 0.26191088411350 0.46789211594654 22.990 > 21 46 Na 0.95254972125932 0.76191088411351 0.03210788405346 22.990 > 22 47 Na 0.95254972125932 0.23808911588650 0.53210788405346 22.990 > 23 48 Na 0.54745027874068 0.73808911588649 0.96789211594654 22.990 > 24 *49 Si 0.15109574165518 0.30845184007712 0.39900199495690 28.085 > 25 50 Si 0.34890425834483 0.80845184007712 0.10099800504310 28.085 > 26 51 Si 0.34890425834483 0.19154815992288 0.60099800504310 28.085 > 27 52 Si 0.15109574165518 0.69154815992288 0.89900199495690 28.085 > 28 *53 Si 0.00000000000000 0.18190918233564 0.25000000000000 28.085 > 29 54 Si 0.00000000000000 0.81809081766436 0.75000000000000 28.085 > 30 55 Si 0.65109574165518 0.80845184007712 0.39900199495690 28.085 > 25 56 Si 0.84890425834482 0.30845184007712 0.10099800504310 28.085 > 26 57 Si 0.84890425834482 0.69154815992288 0.60099800504310 28.085 > 27 58 Si 0.65109574165518 0.19154815992288 0.89900199495690 28.085 > 28 59 Si 0.50000000000000 0.68190918233564 0.25000000000000 28.085 > 29 60 Si 0.50000000000000 0.31809081766436 0.75000000000000 28.085 > 30 *61 Cd 0.34162484307395 0.28761644905071 0.29390124760284 112.411 > 31 62 Cd 0.15837515692605 0.78761644905071 0.20609875239715 112.411 > 32 63 Cd 0.15837515692605 0.21238355094929 0.70609875239716 112.411 > 33 64 Cd 0.34162484307395 0.71238355094929 0.79390124760284 112.411 > 34 *65 Cd 0.25000000000000 0.75000000000000 0.50000000000000 112.411 > 35 66 Cd 0.25000000000000 0.25000000000000 0.00000000000000 112.411 > 36 67 Cd 0.84162484307395 0.78761644905071 0.29390124760284 112.411 > 31 68 Cd 0.65837515692605 0.28761644905071 0.20609875239715 112.411 > 32 69 Cd 0.65837515692605 0.71238355094929 0.70609875239716 112.411 > 33 70 Cd 0.84162484307395 0.21238355094929 0.79390124760284 112.411 > 34 71 Cd 0.75000000000000 0.25000000000000 0.50000000000000 112.411 > 35 72 Cd 0.75000000000000 0.75000000000000 0.00000000000000 112.411 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.596873500264614 0.000000000000000 0.000000000000000 b 0.000000000000000 10.244880759999999 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): *1 O 0.15717570433921 0.49575746487618 0.39596047931449 15.999 > 1 2 O 0.15717570433921 0.99575746487618 0.39596047931449 15.999 > 1 3 O 0.34282429566079 0.24575746487618 0.10403952068552 15.999 > 2 4 O 0.34282429566079 0.74575746487618 0.10403952068552 15.999 > 2 5 O 0.34282429566079 0.25424253512382 0.60403952068552 15.999 > 3 6 O 0.34282429566079 0.75424253512382 0.60403952068552 15.999 > 3 7 O 0.15717570433921 0.00424253512382 0.89596047931448 15.999 > 4 8 O 0.15717570433921 0.50424253512382 0.89596047931448 15.999 > 4 *9 O 0.22044393654457 0.23376361461746 0.32825685550445 15.999 > 5 10 O 0.22044393654457 0.73376361461746 0.32825685550445 15.999 > 5 11 O 0.27955606345543 0.48376361461746 0.17174314449555 15.999 > 6 12 O 0.27955606345543 0.98376361461746 0.17174314449555 15.999 > 6 13 O 0.27955606345543 0.01623638538254 0.67174314449555 15.999 > 7 14 O 0.27955606345543 0.51623638538254 0.67174314449555 15.999 > 7 15 O 0.22044393654457 0.26623638538254 0.82825685550445 15.999 > 8 16 O 0.22044393654457 0.76623638538254 0.82825685550445 15.999 > 8 *17 O 0.06205706614829 0.19539967357902 0.32740125331431 15.999 > 9 18 O 0.06205706614829 0.69539967357902 0.32740125331431 15.999 > 9 19 O 0.43794293385171 0.44539967357902 0.17259874668569 15.999 > 10 20 O 0.43794293385171 0.94539967357902 0.17259874668569 15.999 > 10 21 O 0.43794293385171 0.05460032642098 0.67259874668569 15.999 > 11 22 O 0.43794293385171 0.55460032642098 0.67259874668569 15.999 > 11 23 O 0.06205706614829 0.30460032642098 0.82740125331431 15.999 > 12 24 O 0.06205706614829 0.80460032642098 0.82740125331431 15.999 > 12 *25 O 0.45363865771594 0.25667347992369 0.34846864077037 15.999 > 13 26 O 0.45363865771594 0.75667347992369 0.34846864077037 15.999 > 13 27 O 0.04636134228406 0.00667347992369 0.15153135922963 15.999 > 14 28 O 0.04636134228406 0.50667347992369 0.15153135922963 15.999 > 14 29 O 0.04636134228406 0.49332652007631 0.65153135922963 15.999 > 15 30 O 0.04636134228406 0.99332652007631 0.65153135922963 15.999 > 15 31 O 0.45363865771594 0.24332652007631 0.84846864077037 15.999 > 16 32 O 0.45363865771594 0.74332652007631 0.84846864077037 15.999 > 16 *33 O 0.35108346645184 0.47056080684280 0.96590591621289 15.999 > 17 34 O 0.35108346645184 0.97056080684280 0.96590591621289 15.999 > 17 35 O 0.14891653354816 0.22056080684280 0.53409408378711 15.999 > 18 36 O 0.14891653354816 0.72056080684280 0.53409408378711 15.999 > 18 37 O 0.14891653354816 0.27943919315720 0.03409408378711 15.999 > 19 38 O 0.14891653354816 0.77943919315720 0.03409408378711 15.999 > 19 39 O 0.35108346645184 0.02943919315720 0.46590591621289 15.999 > 20 40 O 0.35108346645184 0.52943919315720 0.46590591621289 15.999 > 20 41 O 0.65717570433921 0.24575746487618 0.39596047931449 15.999 > 1 42 O 0.65717570433921 0.74575746487618 0.39596047931449 15.999 > 1 43 O 0.84282429566079 0.49575746487618 0.10403952068552 15.999 > 2 44 O 0.84282429566079 0.99575746487618 0.10403952068552 15.999 > 2 45 O 0.84282429566079 0.00424253512382 0.60403952068552 15.999 > 3 46 O 0.84282429566079 0.50424253512382 0.60403952068552 15.999 > 3 47 O 0.65717570433921 0.25424253512382 0.89596047931448 15.999 > 4 48 O 0.65717570433921 0.75424253512382 0.89596047931448 15.999 > 4 49 O 0.72044393654457 0.48376361461746 0.32825685550445 15.999 > 5 50 O 0.72044393654457 0.98376361461746 0.32825685550445 15.999 > 5 51 O 0.77955606345543 0.23376361461746 0.17174314449555 15.999 > 6 52 O 0.77955606345543 0.73376361461746 0.17174314449555 15.999 > 6 53 O 0.77955606345543 0.26623638538254 0.67174314449555 15.999 > 7 54 O 0.77955606345543 0.76623638538254 0.67174314449555 15.999 > 7 55 O 0.72044393654457 0.01623638538254 0.82825685550445 15.999 > 8 56 O 0.72044393654457 0.51623638538254 0.82825685550445 15.999 > 8 57 O 0.56205706614829 0.44539967357902 0.32740125331431 15.999 > 9 58 O 0.56205706614829 0.94539967357902 0.32740125331431 15.999 > 9 59 O 0.93794293385171 0.19539967357902 0.17259874668569 15.999 > 10 60 O 0.93794293385171 0.69539967357902 0.17259874668569 15.999 > 10 61 O 0.93794293385171 0.30460032642098 0.67259874668569 15.999 > 11 62 O 0.93794293385171 0.80460032642098 0.67259874668569 15.999 > 11 63 O 0.56205706614829 0.05460032642098 0.82740125331431 15.999 > 12 64 O 0.56205706614829 0.55460032642098 0.82740125331431 15.999 > 12 65 O 0.95363865771594 0.00667347992369 0.34846864077037 15.999 > 13 66 O 0.95363865771594 0.50667347992369 0.34846864077037 15.999 > 13 67 O 0.54636134228406 0.25667347992369 0.15153135922963 15.999 > 14 68 O 0.54636134228406 0.75667347992369 0.15153135922963 15.999 > 14 69 O 0.54636134228406 0.24332652007631 0.65153135922963 15.999 > 15 70 O 0.54636134228406 0.74332652007631 0.65153135922963 15.999 > 15 71 O 0.95363865771594 0.49332652007631 0.84846864077037 15.999 > 16 72 O 0.95363865771594 0.99332652007631 0.84846864077037 15.999 > 16 73 O 0.85108346645184 0.22056080684280 0.96590591621289 15.999 > 17 74 O 0.85108346645184 0.72056080684280 0.96590591621289 15.999 > 17 75 O 0.64891653354816 0.47056080684280 0.53409408378711 15.999 > 18 76 O 0.64891653354816 0.97056080684280 0.53409408378711 15.999 > 18 77 O 0.64891653354816 0.02943919315720 0.03409408378711 15.999 > 19 78 O 0.64891653354816 0.52943919315720 0.03409408378711 15.999 > 19 79 O 0.85108346645184 0.27943919315720 0.46590591621289 15.999 > 20 80 O 0.85108346645184 0.77943919315720 0.46590591621289 15.999 > 20 *81 Na 0.04745027874068 0.38095544205675 0.46789211594654 22.990 > 21 82 Na 0.04745027874068 0.88095544205675 0.46789211594654 22.990 > 21 83 Na 0.45254972125932 0.13095544205675 0.03210788405346 22.990 > 22 84 Na 0.45254972125932 0.63095544205675 0.03210788405346 22.990 > 22 85 Na 0.45254972125932 0.36904455794325 0.53210788405346 22.990 > 23 86 Na 0.45254972125932 0.86904455794325 0.53210788405346 22.990 > 23 87 Na 0.04745027874068 0.11904455794325 0.96789211594654 22.990 > 24 88 Na 0.04745027874068 0.61904455794325 0.96789211594654 22.990 > 24 89 Na 0.54745027874068 0.13095544205675 0.46789211594654 22.990 > 21 90 Na 0.54745027874068 0.63095544205675 0.46789211594654 22.990 > 21 91 Na 0.95254972125932 0.38095544205675 0.03210788405346 22.990 > 22 92 Na 0.95254972125932 0.88095544205675 0.03210788405346 22.990 > 22 93 Na 0.95254972125932 0.11904455794325 0.53210788405346 22.990 > 23 94 Na 0.95254972125932 0.61904455794325 0.53210788405346 22.990 > 23 95 Na 0.54745027874068 0.36904455794325 0.96789211594654 22.990 > 24 96 Na 0.54745027874068 0.86904455794325 0.96789211594654 22.990 > 24 *97 Si 0.15109574165518 0.15422592003856 0.39900199495690 28.085 > 25 98 Si 0.15109574165518 0.65422592003856 0.39900199495690 28.085 > 25 99 Si 0.34890425834483 0.40422592003856 0.10099800504310 28.085 > 26 100 Si 0.34890425834483 0.90422592003856 0.10099800504310 28.085 > 26 101 Si 0.34890425834483 0.09577407996144 0.60099800504310 28.085 > 27 102 Si 0.34890425834483 0.59577407996144 0.60099800504310 28.085 > 27 103 Si 0.15109574165518 0.34577407996144 0.89900199495690 28.085 > 28 104 Si 0.15109574165518 0.84577407996144 0.89900199495690 28.085 > 28 *105 Si 0.00000000000000 0.09095459116782 0.25000000000000 28.085 > 29 106 Si 0.00000000000000 0.59095459116782 0.25000000000000 28.085 > 29 107 Si 0.00000000000000 0.40904540883218 0.75000000000000 28.085 > 30 108 Si 0.00000000000000 0.90904540883218 0.75000000000000 28.085 > 30 109 Si 0.65109574165518 0.40422592003856 0.39900199495690 28.085 > 25 110 Si 0.65109574165518 0.90422592003856 0.39900199495690 28.085 > 25 111 Si 0.84890425834482 0.15422592003856 0.10099800504310 28.085 > 26 112 Si 0.84890425834482 0.65422592003856 0.10099800504310 28.085 > 26 113 Si 0.84890425834482 0.34577407996144 0.60099800504310 28.085 > 27 114 Si 0.84890425834482 0.84577407996144 0.60099800504310 28.085 > 27 115 Si 0.65109574165518 0.09577407996144 0.89900199495690 28.085 > 28 116 Si 0.65109574165518 0.59577407996144 0.89900199495690 28.085 > 28 117 Si 0.50000000000000 0.34095459116782 0.25000000000000 28.085 > 29 118 Si 0.50000000000000 0.84095459116782 0.25000000000000 28.085 > 29 119 Si 0.50000000000000 0.15904540883218 0.75000000000000 28.085 > 30 120 Si 0.50000000000000 0.65904540883218 0.75000000000000 28.085 > 30 *121 Cd 0.34162484307395 0.14380822452536 0.29390124760284 112.411 > 31 122 Cd 0.34162484307395 0.64380822452536 0.29390124760284 112.411 > 31 123 Cd 0.15837515692605 0.39380822452536 0.20609875239715 112.411 > 32 124 Cd 0.15837515692605 0.89380822452536 0.20609875239715 112.411 > 32 125 Cd 0.15837515692605 0.10619177547464 0.70609875239716 112.411 > 33 126 Cd 0.15837515692605 0.60619177547464 0.70609875239716 112.411 > 33 127 Cd 0.34162484307395 0.35619177547464 0.79390124760284 112.411 > 34 128 Cd 0.34162484307395 0.85619177547464 0.79390124760284 112.411 > 34 *129 Cd 0.25000000000000 0.37500000000000 0.50000000000000 112.411 > 35 130 Cd 0.25000000000000 0.87500000000000 0.50000000000000 112.411 > 35 131 Cd 0.25000000000000 0.12500000000000 0.00000000000000 112.411 > 36 132 Cd 0.25000000000000 0.62500000000000 0.00000000000000 112.411 > 36 133 Cd 0.84162484307395 0.39380822452536 0.29390124760284 112.411 > 31 134 Cd 0.84162484307395 0.89380822452536 0.29390124760284 112.411 > 31 135 Cd 0.65837515692605 0.14380822452536 0.20609875239715 112.411 > 32 136 Cd 0.65837515692605 0.64380822452536 0.20609875239715 112.411 > 32 137 Cd 0.65837515692605 0.35619177547464 0.70609875239716 112.411 > 33 138 Cd 0.65837515692605 0.85619177547464 0.70609875239716 112.411 > 33 139 Cd 0.84162484307395 0.10619177547464 0.79390124760284 112.411 > 34 140 Cd 0.84162484307395 0.60619177547464 0.79390124760284 112.411 > 34 141 Cd 0.75000000000000 0.12500000000000 0.50000000000000 112.411 > 35 142 Cd 0.75000000000000 0.62500000000000 0.50000000000000 112.411 > 35 143 Cd 0.75000000000000 0.37500000000000 0.00000000000000 112.411 > 36 144 Cd 0.75000000000000 0.87500000000000 0.00000000000000 112.411 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1979944 0.0000000 0.0970839 0.0000000 3.2111358 0.0000000 0.0970852 0.0000000 3.1993952 -------------------------- Born effective charges -------------------------- 1 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 2 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 3 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 4 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 5 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 6 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 7 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 8 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 9 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 10 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 11 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 12 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 13 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 14 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 15 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 16 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 17 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 18 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 19 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 20 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 21 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 22 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 23 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 24 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 25 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 26 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 27 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 28 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 29 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 30 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 31 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 32 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 33 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 34 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 35 Cd 1.9595304 0.1199106 0.3157255 0.2617232 2.6793092 -0.0429894 0.4037994 -0.0359795 2.1742360 36 Cd 1.9595304 -0.1199106 0.3157255 -0.2617232 2.6793092 0.0429894 0.4037994 0.0359795 2.1742360 ---------------------------------------------------------------------------- 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: 27828/27828 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 32), data: (1294, 50) @ (50, 32) |-- (294, 276), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 32), data: (1294, 50) @ (50, 32) |-- (294, 276), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.963 Solver_block: 200 / 1120 - Time: 1.758 Solver_block: 300 / 1120 - Time: 1.755 Solver_block: 400 / 1120 - Time: 1.759 Solver_block: 500 / 1120 - Time: 1.759 Solver_block: 600 / 1120 - Time: 1.762 Solver_block: 700 / 1120 - Time: 1.762 Solver_block: 800 / 1120 - Time: 1.760 Solver_block: 900 / 1120 - Time: 1.760 Solver_block: 1000 / 1120 - Time: 1.760 Solver_block: 1100 / 1120 - Time: 1.758 Solver_block: 1120 / 1120 - Time: 0.534 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.587 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 27828/27828 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 32), data: (1294, 50) @ (50, 32) |-- (294, 276), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 32), data: (1294, 50) @ (50, 32) |-- (294, 276), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:12:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:12:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298436750132307 -2.561220190000000 0.000000000000000 b 8.298436750132307 2.561220190000000 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): 1 O 0.16566077458685 0.14869063409157 0.39596047931449 15.999 2 O 0.85130936590843 0.83433922541316 0.10403952068552 15.999 3 O 0.83433922541315 0.85130936590843 0.60403952068552 15.999 4 O 0.14869063409157 0.16566077458684 0.89596047931448 15.999 5 O 0.75291670730965 0.68797116577949 0.32825685550445 15.999 6 O 0.31202883422051 0.24708329269035 0.17174314449555 15.999 7 O 0.24708329269035 0.31202883422051 0.67174314449555 15.999 8 O 0.68797116577949 0.75291670730965 0.82825685550445 15.999 9 O 0.67125771899025 0.45285641330632 0.32740125331431 15.999 10 O 0.54714358669368 0.32874228100975 0.17259874668569 15.999 11 O 0.32874228100975 0.54714358669368 0.67259874668569 15.999 12 O 0.45285641330632 0.67125771899025 0.82740125331431 15.999 13 O 0.94029169786855 0.96698561756332 0.34846864077037 15.999 14 O 0.03301438243668 0.05970830213144 0.15153135922963 15.999 15 O 0.05970830213144 0.03301438243668 0.65153135922963 15.999 16 O 0.96698561756332 0.94029169786855 0.84846864077037 15.999 17 O 0.40996185276624 0.29220508013744 0.96590591621289 15.999 18 O 0.70779491986256 0.59003814723376 0.53409408378711 15.999 19 O 0.59003814723376 0.70779491986256 0.03409408378711 15.999 20 O 0.29220508013745 0.40996185276624 0.46590591621289 15.999 21 Na 0.28553939462718 0.80936116285419 0.46789211594654 22.990 22 Na 0.19063883714581 0.71446060537282 0.03210788405346 22.990 23 Na 0.71446060537282 0.19063883714581 0.53210788405346 22.990 24 Na 0.80936116285419 0.28553939462718 0.96789211594654 22.990 25 Si 0.84264390157806 0.45954758173229 0.39900199495690 28.085 26 Si 0.54045241826771 0.15735609842194 0.10099800504310 28.085 27 Si 0.15735609842194 0.54045241826771 0.60099800504310 28.085 28 Si 0.45954758173229 0.84264390157806 0.89900199495690 28.085 29 Si 0.81809081766436 0.18190918233564 0.25000000000000 28.085 30 Si 0.18190918233564 0.81809081766436 0.75000000000000 28.085 31 Cd 0.05400839402323 0.62924129212466 0.29390124760284 112.411 32 Cd 0.37075870787534 0.94599160597677 0.20609875239715 112.411 33 Cd 0.94599160597677 0.37075870787534 0.70609875239716 112.411 34 Cd 0.62924129212466 0.05400839402323 0.79390124760284 112.411 35 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 36 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.596873500264614 0.000000000000000 0.000000000000000 b 0.000000000000000 10.244880759999999 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): 1 O 0.15717570433921 0.49575746487618 0.39596047931449 15.999 > 1 2 O 0.15717570433921 0.99575746487618 0.39596047931449 15.999 > 1 3 O 0.34282429566079 0.24575746487618 0.10403952068552 15.999 > 3 4 O 0.34282429566079 0.74575746487618 0.10403952068552 15.999 > 3 5 O 0.34282429566079 0.25424253512382 0.60403952068552 15.999 > 5 6 O 0.34282429566079 0.75424253512382 0.60403952068552 15.999 > 5 7 O 0.15717570433921 0.00424253512382 0.89596047931448 15.999 > 7 8 O 0.15717570433921 0.50424253512382 0.89596047931448 15.999 > 7 9 O 0.22044393654457 0.23376361461746 0.32825685550445 15.999 > 9 10 O 0.22044393654457 0.73376361461746 0.32825685550445 15.999 > 9 11 O 0.27955606345543 0.48376361461746 0.17174314449555 15.999 > 11 12 O 0.27955606345543 0.98376361461746 0.17174314449555 15.999 > 11 13 O 0.27955606345543 0.01623638538254 0.67174314449555 15.999 > 13 14 O 0.27955606345543 0.51623638538254 0.67174314449555 15.999 > 13 15 O 0.22044393654457 0.26623638538254 0.82825685550445 15.999 > 15 16 O 0.22044393654457 0.76623638538254 0.82825685550445 15.999 > 15 17 O 0.06205706614829 0.19539967357902 0.32740125331431 15.999 > 17 18 O 0.06205706614829 0.69539967357902 0.32740125331431 15.999 > 17 19 O 0.43794293385171 0.44539967357902 0.17259874668569 15.999 > 19 20 O 0.43794293385171 0.94539967357902 0.17259874668569 15.999 > 19 21 O 0.43794293385171 0.05460032642098 0.67259874668569 15.999 > 21 22 O 0.43794293385171 0.55460032642098 0.67259874668569 15.999 > 21 23 O 0.06205706614829 0.30460032642098 0.82740125331431 15.999 > 23 24 O 0.06205706614829 0.80460032642098 0.82740125331431 15.999 > 23 25 O 0.45363865771594 0.25667347992369 0.34846864077037 15.999 > 25 26 O 0.45363865771594 0.75667347992369 0.34846864077037 15.999 > 25 27 O 0.04636134228406 0.00667347992369 0.15153135922963 15.999 > 27 28 O 0.04636134228406 0.50667347992369 0.15153135922963 15.999 > 27 29 O 0.04636134228406 0.49332652007631 0.65153135922963 15.999 > 29 30 O 0.04636134228406 0.99332652007631 0.65153135922963 15.999 > 29 31 O 0.45363865771594 0.24332652007631 0.84846864077037 15.999 > 31 32 O 0.45363865771594 0.74332652007631 0.84846864077037 15.999 > 31 33 O 0.35108346645184 0.47056080684280 0.96590591621289 15.999 > 33 34 O 0.35108346645184 0.97056080684280 0.96590591621289 15.999 > 33 35 O 0.14891653354816 0.22056080684280 0.53409408378711 15.999 > 35 36 O 0.14891653354816 0.72056080684280 0.53409408378711 15.999 > 35 37 O 0.14891653354816 0.27943919315720 0.03409408378711 15.999 > 37 38 O 0.14891653354816 0.77943919315720 0.03409408378711 15.999 > 37 39 O 0.35108346645184 0.02943919315720 0.46590591621289 15.999 > 39 40 O 0.35108346645184 0.52943919315720 0.46590591621289 15.999 > 39 41 O 0.65717570433921 0.24575746487618 0.39596047931449 15.999 > 1 42 O 0.65717570433921 0.74575746487618 0.39596047931449 15.999 > 1 43 O 0.84282429566079 0.49575746487618 0.10403952068552 15.999 > 3 44 O 0.84282429566079 0.99575746487618 0.10403952068552 15.999 > 3 45 O 0.84282429566079 0.00424253512382 0.60403952068552 15.999 > 5 46 O 0.84282429566079 0.50424253512382 0.60403952068552 15.999 > 5 47 O 0.65717570433921 0.25424253512382 0.89596047931448 15.999 > 7 48 O 0.65717570433921 0.75424253512382 0.89596047931448 15.999 > 7 49 O 0.72044393654457 0.48376361461746 0.32825685550445 15.999 > 9 50 O 0.72044393654457 0.98376361461746 0.32825685550445 15.999 > 9 51 O 0.77955606345543 0.23376361461746 0.17174314449555 15.999 > 11 52 O 0.77955606345543 0.73376361461746 0.17174314449555 15.999 > 11 53 O 0.77955606345543 0.26623638538254 0.67174314449555 15.999 > 13 54 O 0.77955606345543 0.76623638538254 0.67174314449555 15.999 > 13 55 O 0.72044393654457 0.01623638538254 0.82825685550445 15.999 > 15 56 O 0.72044393654457 0.51623638538254 0.82825685550445 15.999 > 15 57 O 0.56205706614829 0.44539967357902 0.32740125331431 15.999 > 17 58 O 0.56205706614829 0.94539967357902 0.32740125331431 15.999 > 17 59 O 0.93794293385171 0.19539967357902 0.17259874668569 15.999 > 19 60 O 0.93794293385171 0.69539967357902 0.17259874668569 15.999 > 19 61 O 0.93794293385171 0.30460032642098 0.67259874668569 15.999 > 21 62 O 0.93794293385171 0.80460032642098 0.67259874668569 15.999 > 21 63 O 0.56205706614829 0.05460032642098 0.82740125331431 15.999 > 23 64 O 0.56205706614829 0.55460032642098 0.82740125331431 15.999 > 23 65 O 0.95363865771594 0.00667347992369 0.34846864077037 15.999 > 25 66 O 0.95363865771594 0.50667347992369 0.34846864077037 15.999 > 25 67 O 0.54636134228406 0.25667347992369 0.15153135922963 15.999 > 27 68 O 0.54636134228406 0.75667347992369 0.15153135922963 15.999 > 27 69 O 0.54636134228406 0.24332652007631 0.65153135922963 15.999 > 29 70 O 0.54636134228406 0.74332652007631 0.65153135922963 15.999 > 29 71 O 0.95363865771594 0.49332652007631 0.84846864077037 15.999 > 31 72 O 0.95363865771594 0.99332652007631 0.84846864077037 15.999 > 31 73 O 0.85108346645184 0.22056080684280 0.96590591621289 15.999 > 33 74 O 0.85108346645184 0.72056080684280 0.96590591621289 15.999 > 33 75 O 0.64891653354816 0.47056080684280 0.53409408378711 15.999 > 35 76 O 0.64891653354816 0.97056080684280 0.53409408378711 15.999 > 35 77 O 0.64891653354816 0.02943919315720 0.03409408378711 15.999 > 37 78 O 0.64891653354816 0.52943919315720 0.03409408378711 15.999 > 37 79 O 0.85108346645184 0.27943919315720 0.46590591621289 15.999 > 39 80 O 0.85108346645184 0.77943919315720 0.46590591621289 15.999 > 39 81 Na 0.04745027874068 0.38095544205675 0.46789211594654 22.990 > 81 82 Na 0.04745027874068 0.88095544205675 0.46789211594654 22.990 > 81 83 Na 0.45254972125932 0.13095544205675 0.03210788405346 22.990 > 83 84 Na 0.45254972125932 0.63095544205675 0.03210788405346 22.990 > 83 85 Na 0.45254972125932 0.36904455794325 0.53210788405346 22.990 > 85 86 Na 0.45254972125932 0.86904455794325 0.53210788405346 22.990 > 85 87 Na 0.04745027874068 0.11904455794325 0.96789211594654 22.990 > 87 88 Na 0.04745027874068 0.61904455794325 0.96789211594654 22.990 > 87 89 Na 0.54745027874068 0.13095544205675 0.46789211594654 22.990 > 81 90 Na 0.54745027874068 0.63095544205675 0.46789211594654 22.990 > 81 91 Na 0.95254972125932 0.38095544205675 0.03210788405346 22.990 > 83 92 Na 0.95254972125932 0.88095544205675 0.03210788405346 22.990 > 83 93 Na 0.95254972125932 0.11904455794325 0.53210788405346 22.990 > 85 94 Na 0.95254972125932 0.61904455794325 0.53210788405346 22.990 > 85 95 Na 0.54745027874068 0.36904455794325 0.96789211594654 22.990 > 87 96 Na 0.54745027874068 0.86904455794325 0.96789211594654 22.990 > 87 97 Si 0.15109574165518 0.15422592003856 0.39900199495690 28.085 > 97 98 Si 0.15109574165518 0.65422592003856 0.39900199495690 28.085 > 97 99 Si 0.34890425834483 0.40422592003856 0.10099800504310 28.085 > 99 100 Si 0.34890425834483 0.90422592003856 0.10099800504310 28.085 > 99 101 Si 0.34890425834483 0.09577407996144 0.60099800504310 28.085 > 101 102 Si 0.34890425834483 0.59577407996144 0.60099800504310 28.085 > 101 103 Si 0.15109574165518 0.34577407996144 0.89900199495690 28.085 > 103 104 Si 0.15109574165518 0.84577407996144 0.89900199495690 28.085 > 103 105 Si 0.00000000000000 0.09095459116782 0.25000000000000 28.085 > 105 106 Si 0.00000000000000 0.59095459116782 0.25000000000000 28.085 > 105 107 Si 0.00000000000000 0.40904540883218 0.75000000000000 28.085 > 107 108 Si 0.00000000000000 0.90904540883218 0.75000000000000 28.085 > 107 109 Si 0.65109574165518 0.40422592003856 0.39900199495690 28.085 > 97 110 Si 0.65109574165518 0.90422592003856 0.39900199495690 28.085 > 97 111 Si 0.84890425834482 0.15422592003856 0.10099800504310 28.085 > 99 112 Si 0.84890425834482 0.65422592003856 0.10099800504310 28.085 > 99 113 Si 0.84890425834482 0.34577407996144 0.60099800504310 28.085 > 101 114 Si 0.84890425834482 0.84577407996144 0.60099800504310 28.085 > 101 115 Si 0.65109574165518 0.09577407996144 0.89900199495690 28.085 > 103 116 Si 0.65109574165518 0.59577407996144 0.89900199495690 28.085 > 103 117 Si 0.50000000000000 0.34095459116782 0.25000000000000 28.085 > 105 118 Si 0.50000000000000 0.84095459116782 0.25000000000000 28.085 > 105 119 Si 0.50000000000000 0.15904540883218 0.75000000000000 28.085 > 107 120 Si 0.50000000000000 0.65904540883218 0.75000000000000 28.085 > 107 121 Cd 0.34162484307395 0.14380822452536 0.29390124760284 112.411 > 121 122 Cd 0.34162484307395 0.64380822452536 0.29390124760284 112.411 > 121 123 Cd 0.15837515692605 0.39380822452536 0.20609875239715 112.411 > 123 124 Cd 0.15837515692605 0.89380822452536 0.20609875239715 112.411 > 123 125 Cd 0.15837515692605 0.10619177547464 0.70609875239716 112.411 > 125 126 Cd 0.15837515692605 0.60619177547464 0.70609875239716 112.411 > 125 127 Cd 0.34162484307395 0.35619177547464 0.79390124760284 112.411 > 127 128 Cd 0.34162484307395 0.85619177547464 0.79390124760284 112.411 > 127 129 Cd 0.25000000000000 0.37500000000000 0.50000000000000 112.411 > 129 130 Cd 0.25000000000000 0.87500000000000 0.50000000000000 112.411 > 129 131 Cd 0.25000000000000 0.12500000000000 0.00000000000000 112.411 > 131 132 Cd 0.25000000000000 0.62500000000000 0.00000000000000 112.411 > 131 133 Cd 0.84162484307395 0.39380822452536 0.29390124760284 112.411 > 121 134 Cd 0.84162484307395 0.89380822452536 0.29390124760284 112.411 > 121 135 Cd 0.65837515692605 0.14380822452536 0.20609875239715 112.411 > 123 136 Cd 0.65837515692605 0.64380822452536 0.20609875239715 112.411 > 123 137 Cd 0.65837515692605 0.35619177547464 0.70609875239716 112.411 > 125 138 Cd 0.65837515692605 0.85619177547464 0.70609875239716 112.411 > 125 139 Cd 0.84162484307395 0.10619177547464 0.79390124760284 112.411 > 127 140 Cd 0.84162484307395 0.60619177547464 0.79390124760284 112.411 > 127 141 Cd 0.75000000000000 0.12500000000000 0.50000000000000 112.411 > 129 142 Cd 0.75000000000000 0.62500000000000 0.50000000000000 112.411 > 129 143 Cd 0.75000000000000 0.37500000000000 0.00000000000000 112.411 > 131 144 Cd 0.75000000000000 0.87500000000000 0.00000000000000 112.411 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1979944 0.0000000 0.0970839 0.0000000 3.2111358 0.0000000 0.0970852 0.0000000 3.1993952 -------------------------- Born effective charges -------------------------- 1 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 2 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 3 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 4 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 5 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 6 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 7 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 8 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 9 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 10 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 11 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 12 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 13 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 14 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 15 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 16 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 17 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 18 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 19 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 20 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 21 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 22 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 23 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 24 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 25 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 26 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 27 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 28 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 29 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 30 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 31 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 32 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 33 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 34 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 35 Cd 1.9595304 0.1199106 0.3157255 0.2617232 2.6793092 -0.0429894 0.4037994 -0.0359795 2.1742360 36 Cd 1.9595304 -0.1199106 0.3157255 -0.2617232 2.6793092 0.0429894 0.4037994 0.0359795 2.1742360 ---------------------------------------------------------------------------- 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 9, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:14:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.298436750132307 -2.561220190000000 0.000000000000000 b 8.298436750132307 2.561220190000000 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): 1 O 0.16566077458685 0.14869063409157 0.39596047931449 15.999 2 O 0.85130936590843 0.83433922541316 0.10403952068552 15.999 3 O 0.83433922541315 0.85130936590843 0.60403952068552 15.999 4 O 0.14869063409157 0.16566077458684 0.89596047931448 15.999 5 O 0.75291670730965 0.68797116577949 0.32825685550445 15.999 6 O 0.31202883422051 0.24708329269035 0.17174314449555 15.999 7 O 0.24708329269035 0.31202883422051 0.67174314449555 15.999 8 O 0.68797116577949 0.75291670730965 0.82825685550445 15.999 9 O 0.67125771899025 0.45285641330632 0.32740125331431 15.999 10 O 0.54714358669368 0.32874228100975 0.17259874668569 15.999 11 O 0.32874228100975 0.54714358669368 0.67259874668569 15.999 12 O 0.45285641330632 0.67125771899025 0.82740125331431 15.999 13 O 0.94029169786855 0.96698561756332 0.34846864077037 15.999 14 O 0.03301438243668 0.05970830213144 0.15153135922963 15.999 15 O 0.05970830213144 0.03301438243668 0.65153135922963 15.999 16 O 0.96698561756332 0.94029169786855 0.84846864077037 15.999 17 O 0.40996185276624 0.29220508013744 0.96590591621289 15.999 18 O 0.70779491986256 0.59003814723376 0.53409408378711 15.999 19 O 0.59003814723376 0.70779491986256 0.03409408378711 15.999 20 O 0.29220508013745 0.40996185276624 0.46590591621289 15.999 21 Na 0.28553939462718 0.80936116285419 0.46789211594654 22.990 22 Na 0.19063883714581 0.71446060537282 0.03210788405346 22.990 23 Na 0.71446060537282 0.19063883714581 0.53210788405346 22.990 24 Na 0.80936116285419 0.28553939462718 0.96789211594654 22.990 25 Si 0.84264390157806 0.45954758173229 0.39900199495690 28.085 26 Si 0.54045241826771 0.15735609842194 0.10099800504310 28.085 27 Si 0.15735609842194 0.54045241826771 0.60099800504310 28.085 28 Si 0.45954758173229 0.84264390157806 0.89900199495690 28.085 29 Si 0.81809081766436 0.18190918233564 0.25000000000000 28.085 30 Si 0.18190918233564 0.81809081766436 0.75000000000000 28.085 31 Cd 0.05400839402323 0.62924129212466 0.29390124760284 112.411 32 Cd 0.37075870787534 0.94599160597677 0.20609875239715 112.411 33 Cd 0.94599160597677 0.37075870787534 0.70609875239716 112.411 34 Cd 0.62924129212466 0.05400839402323 0.79390124760284 112.411 35 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 36 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.596873500264614 0.000000000000000 0.000000000000000 b 0.000000000000000 10.244880759999999 0.000000000000000 c -0.797309020568178 0.000000000000000 10.976135707893203 Atomic positions (fractional): 1 O 0.15717570433921 0.49575746487618 0.39596047931449 15.999 > 1 2 O 0.15717570433921 0.99575746487618 0.39596047931449 15.999 > 1 3 O 0.34282429566079 0.24575746487618 0.10403952068552 15.999 > 3 4 O 0.34282429566079 0.74575746487618 0.10403952068552 15.999 > 3 5 O 0.34282429566079 0.25424253512382 0.60403952068552 15.999 > 5 6 O 0.34282429566079 0.75424253512382 0.60403952068552 15.999 > 5 7 O 0.15717570433921 0.00424253512382 0.89596047931448 15.999 > 7 8 O 0.15717570433921 0.50424253512382 0.89596047931448 15.999 > 7 9 O 0.22044393654457 0.23376361461746 0.32825685550445 15.999 > 9 10 O 0.22044393654457 0.73376361461746 0.32825685550445 15.999 > 9 11 O 0.27955606345543 0.48376361461746 0.17174314449555 15.999 > 11 12 O 0.27955606345543 0.98376361461746 0.17174314449555 15.999 > 11 13 O 0.27955606345543 0.01623638538254 0.67174314449555 15.999 > 13 14 O 0.27955606345543 0.51623638538254 0.67174314449555 15.999 > 13 15 O 0.22044393654457 0.26623638538254 0.82825685550445 15.999 > 15 16 O 0.22044393654457 0.76623638538254 0.82825685550445 15.999 > 15 17 O 0.06205706614829 0.19539967357902 0.32740125331431 15.999 > 17 18 O 0.06205706614829 0.69539967357902 0.32740125331431 15.999 > 17 19 O 0.43794293385171 0.44539967357902 0.17259874668569 15.999 > 19 20 O 0.43794293385171 0.94539967357902 0.17259874668569 15.999 > 19 21 O 0.43794293385171 0.05460032642098 0.67259874668569 15.999 > 21 22 O 0.43794293385171 0.55460032642098 0.67259874668569 15.999 > 21 23 O 0.06205706614829 0.30460032642098 0.82740125331431 15.999 > 23 24 O 0.06205706614829 0.80460032642098 0.82740125331431 15.999 > 23 25 O 0.45363865771594 0.25667347992369 0.34846864077037 15.999 > 25 26 O 0.45363865771594 0.75667347992369 0.34846864077037 15.999 > 25 27 O 0.04636134228406 0.00667347992369 0.15153135922963 15.999 > 27 28 O 0.04636134228406 0.50667347992369 0.15153135922963 15.999 > 27 29 O 0.04636134228406 0.49332652007631 0.65153135922963 15.999 > 29 30 O 0.04636134228406 0.99332652007631 0.65153135922963 15.999 > 29 31 O 0.45363865771594 0.24332652007631 0.84846864077037 15.999 > 31 32 O 0.45363865771594 0.74332652007631 0.84846864077037 15.999 > 31 33 O 0.35108346645184 0.47056080684280 0.96590591621289 15.999 > 33 34 O 0.35108346645184 0.97056080684280 0.96590591621289 15.999 > 33 35 O 0.14891653354816 0.22056080684280 0.53409408378711 15.999 > 35 36 O 0.14891653354816 0.72056080684280 0.53409408378711 15.999 > 35 37 O 0.14891653354816 0.27943919315720 0.03409408378711 15.999 > 37 38 O 0.14891653354816 0.77943919315720 0.03409408378711 15.999 > 37 39 O 0.35108346645184 0.02943919315720 0.46590591621289 15.999 > 39 40 O 0.35108346645184 0.52943919315720 0.46590591621289 15.999 > 39 41 O 0.65717570433921 0.24575746487618 0.39596047931449 15.999 > 1 42 O 0.65717570433921 0.74575746487618 0.39596047931449 15.999 > 1 43 O 0.84282429566079 0.49575746487618 0.10403952068552 15.999 > 3 44 O 0.84282429566079 0.99575746487618 0.10403952068552 15.999 > 3 45 O 0.84282429566079 0.00424253512382 0.60403952068552 15.999 > 5 46 O 0.84282429566079 0.50424253512382 0.60403952068552 15.999 > 5 47 O 0.65717570433921 0.25424253512382 0.89596047931448 15.999 > 7 48 O 0.65717570433921 0.75424253512382 0.89596047931448 15.999 > 7 49 O 0.72044393654457 0.48376361461746 0.32825685550445 15.999 > 9 50 O 0.72044393654457 0.98376361461746 0.32825685550445 15.999 > 9 51 O 0.77955606345543 0.23376361461746 0.17174314449555 15.999 > 11 52 O 0.77955606345543 0.73376361461746 0.17174314449555 15.999 > 11 53 O 0.77955606345543 0.26623638538254 0.67174314449555 15.999 > 13 54 O 0.77955606345543 0.76623638538254 0.67174314449555 15.999 > 13 55 O 0.72044393654457 0.01623638538254 0.82825685550445 15.999 > 15 56 O 0.72044393654457 0.51623638538254 0.82825685550445 15.999 > 15 57 O 0.56205706614829 0.44539967357902 0.32740125331431 15.999 > 17 58 O 0.56205706614829 0.94539967357902 0.32740125331431 15.999 > 17 59 O 0.93794293385171 0.19539967357902 0.17259874668569 15.999 > 19 60 O 0.93794293385171 0.69539967357902 0.17259874668569 15.999 > 19 61 O 0.93794293385171 0.30460032642098 0.67259874668569 15.999 > 21 62 O 0.93794293385171 0.80460032642098 0.67259874668569 15.999 > 21 63 O 0.56205706614829 0.05460032642098 0.82740125331431 15.999 > 23 64 O 0.56205706614829 0.55460032642098 0.82740125331431 15.999 > 23 65 O 0.95363865771594 0.00667347992369 0.34846864077037 15.999 > 25 66 O 0.95363865771594 0.50667347992369 0.34846864077037 15.999 > 25 67 O 0.54636134228406 0.25667347992369 0.15153135922963 15.999 > 27 68 O 0.54636134228406 0.75667347992369 0.15153135922963 15.999 > 27 69 O 0.54636134228406 0.24332652007631 0.65153135922963 15.999 > 29 70 O 0.54636134228406 0.74332652007631 0.65153135922963 15.999 > 29 71 O 0.95363865771594 0.49332652007631 0.84846864077037 15.999 > 31 72 O 0.95363865771594 0.99332652007631 0.84846864077037 15.999 > 31 73 O 0.85108346645184 0.22056080684280 0.96590591621289 15.999 > 33 74 O 0.85108346645184 0.72056080684280 0.96590591621289 15.999 > 33 75 O 0.64891653354816 0.47056080684280 0.53409408378711 15.999 > 35 76 O 0.64891653354816 0.97056080684280 0.53409408378711 15.999 > 35 77 O 0.64891653354816 0.02943919315720 0.03409408378711 15.999 > 37 78 O 0.64891653354816 0.52943919315720 0.03409408378711 15.999 > 37 79 O 0.85108346645184 0.27943919315720 0.46590591621289 15.999 > 39 80 O 0.85108346645184 0.77943919315720 0.46590591621289 15.999 > 39 81 Na 0.04745027874068 0.38095544205675 0.46789211594654 22.990 > 81 82 Na 0.04745027874068 0.88095544205675 0.46789211594654 22.990 > 81 83 Na 0.45254972125932 0.13095544205675 0.03210788405346 22.990 > 83 84 Na 0.45254972125932 0.63095544205675 0.03210788405346 22.990 > 83 85 Na 0.45254972125932 0.36904455794325 0.53210788405346 22.990 > 85 86 Na 0.45254972125932 0.86904455794325 0.53210788405346 22.990 > 85 87 Na 0.04745027874068 0.11904455794325 0.96789211594654 22.990 > 87 88 Na 0.04745027874068 0.61904455794325 0.96789211594654 22.990 > 87 89 Na 0.54745027874068 0.13095544205675 0.46789211594654 22.990 > 81 90 Na 0.54745027874068 0.63095544205675 0.46789211594654 22.990 > 81 91 Na 0.95254972125932 0.38095544205675 0.03210788405346 22.990 > 83 92 Na 0.95254972125932 0.88095544205675 0.03210788405346 22.990 > 83 93 Na 0.95254972125932 0.11904455794325 0.53210788405346 22.990 > 85 94 Na 0.95254972125932 0.61904455794325 0.53210788405346 22.990 > 85 95 Na 0.54745027874068 0.36904455794325 0.96789211594654 22.990 > 87 96 Na 0.54745027874068 0.86904455794325 0.96789211594654 22.990 > 87 97 Si 0.15109574165518 0.15422592003856 0.39900199495690 28.085 > 97 98 Si 0.15109574165518 0.65422592003856 0.39900199495690 28.085 > 97 99 Si 0.34890425834483 0.40422592003856 0.10099800504310 28.085 > 99 100 Si 0.34890425834483 0.90422592003856 0.10099800504310 28.085 > 99 101 Si 0.34890425834483 0.09577407996144 0.60099800504310 28.085 > 101 102 Si 0.34890425834483 0.59577407996144 0.60099800504310 28.085 > 101 103 Si 0.15109574165518 0.34577407996144 0.89900199495690 28.085 > 103 104 Si 0.15109574165518 0.84577407996144 0.89900199495690 28.085 > 103 105 Si 0.00000000000000 0.09095459116782 0.25000000000000 28.085 > 105 106 Si 0.00000000000000 0.59095459116782 0.25000000000000 28.085 > 105 107 Si 0.00000000000000 0.40904540883218 0.75000000000000 28.085 > 107 108 Si 0.00000000000000 0.90904540883218 0.75000000000000 28.085 > 107 109 Si 0.65109574165518 0.40422592003856 0.39900199495690 28.085 > 97 110 Si 0.65109574165518 0.90422592003856 0.39900199495690 28.085 > 97 111 Si 0.84890425834482 0.15422592003856 0.10099800504310 28.085 > 99 112 Si 0.84890425834482 0.65422592003856 0.10099800504310 28.085 > 99 113 Si 0.84890425834482 0.34577407996144 0.60099800504310 28.085 > 101 114 Si 0.84890425834482 0.84577407996144 0.60099800504310 28.085 > 101 115 Si 0.65109574165518 0.09577407996144 0.89900199495690 28.085 > 103 116 Si 0.65109574165518 0.59577407996144 0.89900199495690 28.085 > 103 117 Si 0.50000000000000 0.34095459116782 0.25000000000000 28.085 > 105 118 Si 0.50000000000000 0.84095459116782 0.25000000000000 28.085 > 105 119 Si 0.50000000000000 0.15904540883218 0.75000000000000 28.085 > 107 120 Si 0.50000000000000 0.65904540883218 0.75000000000000 28.085 > 107 121 Cd 0.34162484307395 0.14380822452536 0.29390124760284 112.411 > 121 122 Cd 0.34162484307395 0.64380822452536 0.29390124760284 112.411 > 121 123 Cd 0.15837515692605 0.39380822452536 0.20609875239715 112.411 > 123 124 Cd 0.15837515692605 0.89380822452536 0.20609875239715 112.411 > 123 125 Cd 0.15837515692605 0.10619177547464 0.70609875239716 112.411 > 125 126 Cd 0.15837515692605 0.60619177547464 0.70609875239716 112.411 > 125 127 Cd 0.34162484307395 0.35619177547464 0.79390124760284 112.411 > 127 128 Cd 0.34162484307395 0.85619177547464 0.79390124760284 112.411 > 127 129 Cd 0.25000000000000 0.37500000000000 0.50000000000000 112.411 > 129 130 Cd 0.25000000000000 0.87500000000000 0.50000000000000 112.411 > 129 131 Cd 0.25000000000000 0.12500000000000 0.00000000000000 112.411 > 131 132 Cd 0.25000000000000 0.62500000000000 0.00000000000000 112.411 > 131 133 Cd 0.84162484307395 0.39380822452536 0.29390124760284 112.411 > 121 134 Cd 0.84162484307395 0.89380822452536 0.29390124760284 112.411 > 121 135 Cd 0.65837515692605 0.14380822452536 0.20609875239715 112.411 > 123 136 Cd 0.65837515692605 0.64380822452536 0.20609875239715 112.411 > 123 137 Cd 0.65837515692605 0.35619177547464 0.70609875239716 112.411 > 125 138 Cd 0.65837515692605 0.85619177547464 0.70609875239716 112.411 > 125 139 Cd 0.84162484307395 0.10619177547464 0.79390124760284 112.411 > 127 140 Cd 0.84162484307395 0.60619177547464 0.79390124760284 112.411 > 127 141 Cd 0.75000000000000 0.12500000000000 0.50000000000000 112.411 > 129 142 Cd 0.75000000000000 0.62500000000000 0.50000000000000 112.411 > 129 143 Cd 0.75000000000000 0.37500000000000 0.00000000000000 112.411 > 131 144 Cd 0.75000000000000 0.87500000000000 0.00000000000000 112.411 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1979944 0.0000000 0.0970839 0.0000000 3.2111358 0.0000000 0.0970852 0.0000000 3.1993952 -------------------------- Born effective charges -------------------------- 1 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 2 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 3 O -1.3724381 0.2768369 -0.2457623 0.1266212 -2.3924944 -0.0624641 -0.1860063 -0.0602482 -1.5646315 4 O -1.3724381 -0.2768369 -0.2457623 -0.1266212 -2.3924944 0.0624641 -0.1860063 0.0602482 -1.5646315 5 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 6 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 7 O -1.8612564 -0.1042272 0.2788657 -0.1755978 -1.8778356 0.2589572 0.2350244 0.1421420 -1.8091321 8 O -1.8612564 0.1042272 0.2788657 0.1755978 -1.8778356 -0.2589572 0.2350244 -0.1421420 -1.8091321 9 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 10 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 11 O -2.4278190 -0.3685716 -0.7228828 -0.3423400 -1.6216870 -0.2031947 -0.7402995 -0.2087691 -1.5699755 12 O -2.4278190 0.3685716 -0.7228828 0.3423400 -1.6216870 0.2031947 -0.7402995 0.2087691 -1.5699755 13 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 14 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 15 O -2.0927141 -0.5581975 0.2769765 -0.4135500 -1.4722807 0.2453047 0.0933891 0.2179627 -1.6243698 16 O -2.0927141 0.5581975 0.2769765 0.4135500 -1.4722807 -0.2453047 0.0933891 -0.2179627 -1.6243698 17 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 18 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 19 O -1.3804845 0.2089895 0.0368597 0.2085840 -1.6815873 0.0393358 0.1275868 0.1116486 -2.2938044 20 O -1.3804845 -0.2089895 0.0368597 -0.2085840 -1.6815873 -0.0393358 0.1275868 -0.1116486 -2.2938044 21 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 22 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 23 Na 1.1805499 -0.0410499 -0.0134227 -0.0613672 1.0652003 0.0453134 -0.0255314 -0.0067813 1.0956927 24 Na 1.1805499 0.0410499 -0.0134227 0.0613672 1.0652003 -0.0453134 -0.0255314 0.0067813 1.0956927 25 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 26 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 27 Si 2.8068860 0.0532241 0.2516451 0.5427788 3.0428214 0.0708039 0.1324532 0.2325355 2.8049926 28 Si 2.8068860 -0.0532241 0.2516451 -0.5427788 3.0428214 -0.0708039 0.1324532 -0.2325355 2.8049926 29 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 30 Si 3.8266634 0.0000000 -0.0291368 0.0000000 2.7643842 0.0000000 0.4562661 0.0000000 2.7306021 31 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 32 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 33 Cd 2.2541793 0.2063884 -0.0055736 0.1163946 2.2160167 -0.0314279 -0.0666490 -0.1015675 2.5088090 34 Cd 2.2541793 -0.2063884 -0.0055736 -0.1163946 2.2160167 0.0314279 -0.0666490 0.1015675 2.5088090 35 Cd 1.9595304 0.1199106 0.3157255 0.2617232 2.6793092 -0.0429894 0.4037994 -0.0359795 2.1742360 36 Cd 1.9595304 -0.1199106 0.3157255 -0.2617232 2.6793092 0.0429894 0.4037994 0.0359795 2.1742360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 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 1.594 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 11.892 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.311 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.617 ( 0.000 0.000 0.000) 0.000 13.673 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.009 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.528 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.491 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 0.000) 0.000 16.226 ( 0.000 0.000 0.000) 0.000 19.847 ( 0.000 0.000 0.000) 0.000 19.989 ( 0.000 0.000 0.000) 0.000 20.283 ( 0.000 0.000 0.000) 0.000 20.457 ( 0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.619 ( 0.000 0.000 0.000) 0.000 24.662 ( 0.000 0.000 0.000) 0.000 24.736 ( 0.000 0.000 0.000) 0.000 25.923 ( 0.000 0.000 0.000) 0.000 26.107 ( 0.000 0.000 0.000) 0.000 26.178 ( 0.000 0.000 0.000) 0.000 26.978 ( 0.000 0.000 0.000) 0.000 26.993 ( 0.000 0.000 0.000) 0.000 27.007 ( 0.000 0.000 0.000) 0.000 27.035 ( 0.000 0.000 0.000) 0.000 27.168 ( 0.000 0.000 0.000) 0.000 27.691 ( 0.000 0.000 0.000) 0.000 27.931 ( 0.000 0.000 0.000) 0.000 28.081 ( 0.000 0.000 0.000) 0.000 28.286 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 28.839 ( 0.000 0.000 0.000) 0.000 29.336 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 2.672 -25.182 2.045) 25.406 0.632 ( 14.840 -27.288 8.479) 32.199 1.049 ( 13.397 -45.193 3.550) 47.271 1.603 ( 1.228 -0.597 -0.424) 1.430 1.817 ( 4.314 0.980 -1.271) 4.603 2.078 ( -3.929 -0.425 -7.959) 8.886 2.133 ( 2.483 5.059 2.521) 6.173 2.464 ( 4.288 -1.294 -0.549) 4.513 2.521 ( 2.043 1.836 2.936) 4.021 2.743 ( -10.363 -5.205 -1.251) 11.664 2.869 ( 6.271 -2.124 1.216) 6.732 2.947 ( -5.900 2.731 5.049) 8.232 3.044 ( 5.909 0.928 -3.125) 6.749 3.199 ( -3.691 -2.909 -2.842) 5.492 3.248 ( 3.853 -2.891 4.199) 6.390 3.407 ( -5.224 -0.393 -2.478) 5.795 3.542 ( 2.209 0.319 -0.125) 2.235 3.633 ( -6.012 -2.002 -11.314) 12.968 3.713 ( 4.767 -0.938 8.277) 9.598 3.938 ( -0.185 3.903 0.979) 4.029 4.112 ( -2.895 7.943 -2.931) 8.948 4.199 ( -0.152 -9.018 1.388) 9.125 4.241 ( -0.596 -1.812 -0.791) 2.065 4.359 ( 2.901 -3.842 1.094) 4.937 4.831 ( 4.545 9.940 -0.278) 10.933 4.900 ( -0.606 -1.530 -1.338) 2.121 5.036 ( -3.798 2.415 -0.279) 4.509 5.083 ( 4.153 1.445 2.447) 5.032 5.159 ( 0.802 -0.244 -1.898) 2.075 5.310 ( -0.271 7.336 -0.958) 7.404 5.396 ( -1.059 4.355 1.514) 4.731 5.598 ( -3.483 -1.415 4.450) 5.826 5.698 ( 0.717 3.626 -0.895) 3.803 5.737 ( -5.772 -2.831 -8.479) 10.641 5.778 ( 2.712 -5.013 -4.121) 7.033 6.165 ( 3.372 9.076 3.709) 10.368 6.352 ( 1.347 4.694 0.837) 4.954 6.427 ( -2.106 1.140 -0.630) 2.476 6.465 ( 4.922 1.753 0.993) 5.319 6.552 ( 0.695 -1.458 3.058) 3.458 6.957 ( -2.475 5.198 6.176) 8.443 6.984 ( 1.307 3.887 -5.556) 6.906 7.153 ( 1.677 4.179 5.959) 7.469 7.169 ( -0.257 -2.828 -6.016) 6.653 7.467 ( -2.021 2.812 -1.365) 3.722 7.524 ( -0.678 -9.690 2.274) 9.976 7.627 ( -0.990 -0.290 1.672) 1.965 7.840 ( -2.406 3.524 0.578) 4.306 7.867 ( -0.287 0.549 1.633) 1.747 8.036 ( -11.213 5.047 -10.043) 15.876 8.149 ( 2.034 7.640 -0.641) 7.932 8.448 ( 1.873 13.410 -0.949) 13.574 8.676 ( -3.002 4.325 -2.868) 5.995 8.727 ( 3.020 0.593 0.075) 3.079 8.846 ( -1.780 3.345 -2.252) 4.408 9.010 ( -17.459 -4.569 -7.360) 19.491 9.340 ( 2.892 -12.345 1.271) 12.742 9.686 ( -0.140 -3.718 -0.822) 3.811 10.340 ( -1.051 -4.812 -0.744) 4.982 10.383 ( 1.738 -2.959 0.482) 3.465 10.702 ( 2.033 -7.623 1.354) 8.005 11.048 ( 0.796 -1.015 0.257) 1.315 11.122 ( -1.095 -3.521 -1.195) 3.876 11.340 ( -0.953 -9.229 -0.942) 9.326 11.840 ( 8.725 2.317 8.833) 12.630 11.990 ( -0.802 -6.424 0.610) 6.502 12.119 ( -1.899 1.255 0.945) 2.465 12.156 ( 3.074 3.636 1.441) 4.975 12.283 ( -9.399 -1.422 2.373) 9.798 12.438 ( 7.669 0.433 7.152) 10.495 13.141 ( 29.953 9.164 5.707) 31.839 13.524 ( -14.491 3.228 -10.694) 18.297 13.689 ( 4.017 0.916 5.159) 6.602 13.967 ( -1.119 -0.628 -3.128) 3.381 13.993 ( 0.934 1.724 4.283) 4.710 14.432 ( -3.952 4.924 -1.528) 6.496 14.500 ( 4.030 4.165 4.727) 7.479 14.524 ( -0.297 0.821 4.186) 4.276 14.527 ( 1.315 1.414 -4.907) 5.274 15.016 ( -10.693 1.482 -0.415) 10.804 15.177 ( 13.035 3.321 6.637) 14.999 15.448 ( -2.821 3.563 -2.178) 5.040 16.175 ( 2.148 1.014 0.749) 2.491 16.320 ( 1.786 -3.995 0.800) 4.449 20.029 ( -1.200 -4.181 -1.280) 4.534 20.134 ( -6.896 -3.498 0.045) 7.733 20.276 ( 1.305 0.936 0.914) 1.847 20.453 ( -0.807 0.233 -0.319) 0.898 24.492 ( -2.122 0.406 0.234) 2.173 24.609 ( -0.369 0.839 -0.753) 1.187 24.728 ( 5.232 1.903 1.266) 5.709 24.748 ( 17.572 4.773 4.133) 18.672 25.936 ( -0.119 -1.308 0.245) 1.336 26.115 ( 1.736 0.242 -4.887) 5.192 26.212 ( -0.151 -3.276 -1.514) 3.612 26.957 ( -2.852 1.675 1.997) 3.863 27.008 ( 1.516 -1.600 -0.698) 2.312 27.036 ( 0.680 0.199 2.264) 2.372 27.057 ( 2.169 -2.767 -1.755) 3.930 27.708 ( -1.170 -1.189 0.993) 1.941 27.924 ( -0.050 -0.931 0.004) 0.932 27.977 ( -2.498 -4.897 2.998) 6.262 28.203 ( -0.583 -10.882 0.323) 10.902 28.484 ( -1.945 1.590 1.668) 3.016 28.529 ( -0.505 2.655 -1.016) 2.887 28.821 ( -0.468 0.915 1.383) 1.723 29.306 ( 1.500 3.445 1.072) 3.908 30.093 ( -9.037 0.500 -8.451) 12.383 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 2.906 -20.449 2.011) 20.752 1.241 ( 12.310 -25.930 7.128) 29.576 1.566 ( -0.789 -0.725 0.635) 1.246 1.816 ( 0.046 -11.172 1.371) 11.256 1.877 ( 8.667 -13.001 -2.575) 15.836 2.053 ( 6.722 3.134 -2.043) 7.693 2.107 ( 2.729 -0.687 -0.250) 2.825 2.492 ( 1.724 1.042 -1.022) 2.259 2.620 ( 8.785 -12.621 0.995) 15.409 2.770 ( -10.726 -2.986 -1.116) 11.190 2.921 ( -3.183 -3.238 6.851) 8.219 2.935 ( 1.567 -2.571 0.539) 3.059 3.084 ( 6.742 -0.393 -1.892) 7.014 3.189 ( 2.210 2.403 1.507) 3.596 3.295 ( 1.564 0.250 -0.067) 1.586 3.399 ( -4.383 -1.721 -0.521) 4.737 3.518 ( -5.695 1.176 -4.527) 7.369 3.673 ( -5.703 -6.317 -6.873) 10.940 3.777 ( 1.732 -2.781 5.100) 6.061 3.924 ( 0.557 -2.783 0.886) 2.973 3.973 ( 2.342 4.006 -4.760) 6.648 4.237 ( 0.455 0.738 -0.844) 1.211 4.359 ( -1.321 -1.773 -2.257) 3.160 4.422 ( 1.948 0.225 4.772) 5.160 4.676 ( 4.663 5.448 0.868) 7.223 4.870 ( -2.944 2.730 -3.020) 5.024 4.934 ( -1.771 7.920 0.761) 8.151 5.060 ( -0.989 4.568 1.857) 5.030 5.132 ( 1.246 1.480 -1.619) 2.523 5.167 ( -1.999 3.283 -1.873) 4.276 5.374 ( 1.152 0.194 3.930) 4.100 5.471 ( -6.431 10.219 4.697) 12.956 5.640 ( 0.857 3.301 -3.314) 4.755 5.712 ( -5.065 0.596 -5.817) 7.736 5.870 ( 6.185 0.706 -4.868) 7.902 6.073 ( 7.789 2.918 9.752) 12.817 6.226 ( 0.596 6.337 1.235) 6.484 6.372 ( -2.690 4.712 -0.499) 5.449 6.411 ( -3.219 4.224 -1.360) 5.482 6.580 ( -0.612 -0.911 2.726) 2.939 6.791 ( -5.298 6.493 5.638) 10.100 6.939 ( 4.042 2.910 -6.968) 8.565 7.102 ( 4.297 2.590 1.292) 5.181 7.237 ( -3.316 -2.023 0.222) 3.891 7.368 ( -3.532 3.844 -1.995) 5.588 7.591 ( -0.236 4.709 1.883) 5.077 7.615 ( -7.691 -1.772 0.771) 7.930 7.704 ( -5.660 10.240 -2.098) 11.886 7.827 ( 1.459 4.413 -0.134) 4.650 7.946 ( 0.057 -2.057 -0.835) 2.221 8.052 ( 2.319 -0.872 1.981) 3.172 8.253 ( 6.291 8.041 -0.685) 10.233 8.547 ( -4.352 5.965 -4.039) 8.417 8.667 ( 0.008 5.052 -2.056) 5.454 8.808 ( 0.176 1.259 -0.929) 1.575 8.974 ( -3.839 1.490 -1.724) 4.464 9.604 ( 1.648 -12.564 1.273) 12.735 9.803 ( 0.660 -8.170 -0.934) 8.250 10.432 ( -1.998 -5.042 -1.742) 5.696 10.476 ( 2.503 -4.652 1.163) 5.409 10.902 ( 4.326 -10.193 2.535) 11.360 11.104 ( 3.759 -3.474 1.585) 5.359 11.207 ( -0.773 -5.743 -1.191) 5.916 11.537 ( -3.868 -10.832 -3.428) 12.002 11.860 ( 6.607 0.813 6.069) 9.008 12.034 ( -2.654 2.290 1.190) 3.702 12.102 ( -0.670 -1.781 -0.787) 2.059 12.203 ( 1.374 -7.013 1.028) 7.220 12.256 ( -3.533 0.467 2.946) 4.624 12.432 ( 7.726 5.228 2.655) 9.699 13.151 ( 8.817 2.043 1.573) 9.186 13.338 ( -17.112 4.679 -12.066) 21.455 13.687 ( 2.006 1.248 3.155) 3.941 13.928 ( -0.199 3.527 -1.164) 3.719 14.000 ( -1.152 -1.810 2.286) 3.135 14.294 ( -3.282 6.409 0.997) 7.269 14.441 ( 8.659 5.730 3.548) 10.973 14.478 ( -0.497 2.660 -0.591) 2.770 14.510 ( -2.284 0.388 -0.673) 2.413 14.913 ( -5.834 3.811 -1.029) 7.044 15.167 ( 11.129 5.540 5.593) 13.631 15.320 ( -5.374 6.350 -3.556) 9.047 16.213 ( 4.344 -2.373 1.573) 5.194 16.392 ( 0.939 -2.461 -0.583) 2.698 20.117 ( -2.595 -5.389 -2.788) 6.599 20.171 ( -2.116 -2.902 0.243) 3.599 20.272 ( 2.769 0.585 2.425) 3.727 20.437 ( -1.709 0.557 -0.638) 1.907 24.470 ( -1.116 0.822 0.849) 1.625 24.581 ( -0.549 1.677 -1.256) 2.167 24.725 ( 1.928 0.716 -0.371) 2.090 24.762 ( 11.563 2.971 2.977) 12.304 25.972 ( -0.297 -2.493 0.278) 2.526 26.120 ( 0.661 -0.111 -1.729) 1.854 26.290 ( -2.214 -5.148 -1.465) 5.792 26.882 ( -3.111 4.069 0.962) 5.211 27.028 ( 2.335 0.980 0.880) 2.680 27.057 ( 0.739 -1.915 0.943) 2.259 27.135 ( 1.917 -3.545 -1.586) 4.331 27.701 ( -2.580 0.467 1.563) 3.052 27.993 ( 1.457 -5.660 0.609) 5.876 28.118 ( -2.963 -10.440 -2.534) 11.144 28.417 ( -0.226 0.458 4.776) 4.803 28.453 ( -1.349 1.784 0.409) 2.274 28.475 ( 2.018 -9.142 -2.122) 9.600 28.797 ( 1.141 1.366 -0.019) 1.780 29.229 ( 1.713 5.118 1.313) 5.554 29.997 ( -7.744 3.762 -4.476) 9.704 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 1.500 -14.069 1.041) 14.187 1.549 ( -2.471 -0.286 0.124) 2.491 1.751 ( 5.884 -17.661 4.558) 19.165 1.970 ( 3.831 -6.751 -3.397) 8.473 2.081 ( 6.310 -4.429 1.575) 7.869 2.128 ( 3.920 -3.445 2.142) 5.641 2.153 ( 12.480 -4.839 -0.135) 13.386 2.527 ( 4.816 -2.873 -2.308) 6.064 2.732 ( -8.973 -0.412 -0.304) 8.988 2.896 ( -0.608 -8.089 -2.553) 8.504 2.967 ( -2.809 -2.241 6.770) 7.665 3.033 ( 2.908 -1.650 -0.768) 3.430 3.088 ( 2.681 2.394 -1.136) 3.770 3.208 ( 9.656 -0.225 2.976) 10.106 3.355 ( 2.151 -5.495 4.230) 7.261 3.381 ( -8.922 -2.727 -3.383) 9.924 3.462 ( -8.116 -1.473 -4.588) 9.438 3.786 ( -4.805 -6.996 -5.665) 10.204 3.824 ( 3.276 -2.097 2.402) 4.571 3.973 ( 3.217 -0.397 -2.199) 3.917 4.044 ( -1.161 -6.106 -1.233) 6.336 4.221 ( 0.124 1.402 -2.545) 2.908 4.261 ( 9.041 8.373 6.421) 13.895 4.344 ( -0.178 5.981 -0.298) 5.991 4.625 ( -2.427 5.961 -3.012) 7.106 4.739 ( -2.936 8.662 2.905) 9.596 4.795 ( -5.722 6.381 -0.087) 8.571 4.874 ( 0.851 6.433 -1.691) 6.706 5.084 ( -3.063 7.700 2.579) 8.679 5.185 ( -7.599 1.195 1.905) 7.925 5.238 ( 1.002 0.008 -5.036) 5.135 5.335 ( -0.075 5.001 4.924) 7.019 5.565 ( -0.730 1.757 -3.061) 3.604 5.728 ( 1.566 -2.097 -2.073) 3.339 5.795 ( 9.262 10.418 2.378) 14.142 6.047 ( -0.091 7.958 -1.132) 8.039 6.145 ( 4.346 1.706 8.885) 10.037 6.257 ( -5.422 3.605 -7.127) 9.653 6.318 ( -4.776 -0.276 -0.558) 4.816 6.571 ( -1.178 0.894 2.229) 2.675 6.717 ( -0.379 -0.670 3.005) 3.102 6.900 ( 1.532 2.658 -6.801) 7.461 7.075 ( 2.027 2.670 0.717) 3.427 7.189 ( -0.608 3.459 -1.871) 3.980 7.285 ( -1.229 3.957 2.413) 4.795 7.463 ( 1.081 7.859 1.644) 8.102 7.490 ( 0.065 7.519 2.543) 7.937 7.609 ( -9.010 -3.190 -2.024) 9.770 7.697 ( 0.247 7.490 1.420) 7.627 8.025 ( 1.731 -3.137 -1.077) 3.742 8.167 ( -1.304 -6.209 4.046) 7.524 8.204 ( 4.453 0.400 -1.737) 4.797 8.405 ( -7.086 4.021 -7.036) 10.765 8.603 ( 2.269 1.130 1.523) 2.957 8.754 ( -0.494 4.055 -2.049) 4.570 8.908 ( 1.973 4.543 0.588) 4.988 9.838 ( 0.542 -10.513 1.046) 10.578 9.994 ( 1.516 -9.855 -0.615) 9.990 10.505 ( -2.068 -3.746 -1.857) 4.664 10.570 ( 1.069 -3.578 1.104) 3.894 11.135 ( 5.940 -9.905 2.724) 11.867 11.228 ( 6.859 -5.474 2.922) 9.249 11.323 ( -0.764 -6.223 -1.273) 6.398 11.666 ( -7.994 -5.854 -6.532) 11.868 11.871 ( 8.358 3.301 6.958) 11.365 12.006 ( -1.832 -0.640 1.589) 2.508 12.123 ( 0.007 -1.012 -0.829) 1.308 12.223 ( -0.958 1.455 2.814) 3.310 12.336 ( 7.299 5.469 3.060) 9.620 12.372 ( -5.711 -7.259 -3.805) 9.989 13.141 ( -0.050 3.780 -1.911) 4.236 13.183 ( -9.405 -0.158 -6.583) 11.481 13.673 ( 0.774 1.034 1.194) 1.759 13.845 ( -0.242 4.577 -0.127) 4.586 14.034 ( -1.803 -2.329 1.415) 3.268 14.163 ( -1.682 5.160 2.377) 5.925 14.393 ( 9.967 4.913 4.419) 11.958 14.430 ( -2.256 1.304 -2.068) 3.326 14.491 ( -3.040 -0.506 -0.924) 3.218 14.799 ( -2.764 5.114 -0.463) 5.831 15.074 ( -2.811 7.140 -3.859) 8.589 15.186 ( 3.715 5.504 3.489) 7.501 16.296 ( 4.585 -2.727 1.660) 5.588 16.429 ( 0.670 -0.965 -1.152) 1.646 20.183 ( -2.387 -2.941 -2.989) 4.826 20.214 ( -0.526 -2.122 0.338) 2.212 20.299 ( 2.720 -1.490 2.786) 4.169 20.413 ( -2.171 0.537 -0.729) 2.352 24.452 ( -0.620 0.443 1.236) 1.452 24.540 ( -0.558 2.055 -1.545) 2.631 24.724 ( 1.346 0.365 -0.800) 1.608 24.772 ( 7.948 2.151 2.300) 8.549 26.026 ( -0.476 -3.059 -0.220) 3.103 26.124 ( 0.775 0.082 -0.283) 0.829 26.370 ( -5.461 -5.044 -0.450) 7.447 26.778 ( -1.035 4.656 -0.464) 4.792 27.019 ( 2.951 1.577 1.267) 3.578 27.086 ( 2.032 0.080 0.175) 2.041 27.208 ( 0.451 -3.206 -0.866) 3.352 27.681 ( -2.948 -0.330 1.201) 3.200 28.139 ( 2.512 -7.016 1.868) 7.683 28.284 ( -3.792 -5.797 -3.976) 7.987 28.354 ( 2.632 3.985 0.589) 4.812 28.397 ( -1.661 -0.671 -2.612) 3.167 28.693 ( 4.806 -2.935 5.978) 8.212 28.847 ( -1.211 -9.799 0.042) 9.874 29.147 ( 0.935 3.219 -0.180) 3.357 29.855 ( -7.327 5.801 -3.084) 9.841 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.465 -4.593 2.138) 5.088 1.587 ( -2.324 -5.411 -1.457) 6.067 1.931 ( 2.279 -2.251 -0.248) 3.213 2.082 ( 0.874 -2.327 1.424) 2.865 2.182 ( 7.337 -4.053 -2.260) 8.682 2.314 ( 5.698 -7.795 0.772) 9.686 2.428 ( 12.547 -12.094 5.855) 18.384 2.637 ( 3.088 -4.208 -2.222) 5.673 2.706 ( -5.541 -2.758 -0.227) 6.193 2.919 ( -2.022 5.323 0.042) 5.694 2.975 ( -3.120 2.354 -1.372) 4.142 3.028 ( -1.976 -4.209 -1.585) 4.912 3.122 ( 6.335 -1.654 -1.608) 6.742 3.249 ( 6.844 0.459 3.180) 7.561 3.310 ( -9.198 -0.907 -0.866) 9.283 3.428 ( -5.612 -0.603 -2.312) 6.099 3.593 ( 2.491 -9.329 3.024) 10.118 3.839 ( -1.117 -2.284 -2.655) 3.676 3.907 ( 1.746 -1.314 2.563) 3.368 3.966 ( 1.359 1.995 -1.373) 2.777 4.071 ( -2.259 1.105 -0.375) 2.543 4.119 ( 0.884 3.509 -1.795) 4.039 4.148 ( -2.157 6.112 0.304) 6.488 4.318 ( -3.102 6.703 2.127) 7.686 4.416 ( -1.884 9.967 0.447) 10.153 4.592 ( 2.629 2.825 -1.810) 4.263 4.652 ( 1.428 7.181 3.174) 7.980 4.798 ( -0.976 0.550 -4.460) 4.598 4.864 ( -7.827 6.130 2.974) 10.376 5.140 ( 0.897 -1.019 0.272) 1.385 5.254 ( -2.073 1.964 2.433) 3.751 5.344 ( -1.108 -4.367 -3.019) 5.423 5.532 ( 0.380 3.854 -3.015) 4.908 5.679 ( 12.170 4.599 7.449) 14.992 5.759 ( 0.548 -0.252 -0.245) 0.651 5.851 ( 0.257 7.654 1.595) 7.823 6.087 ( -12.163 6.261 -9.420) 16.609 6.209 ( 1.153 -3.207 -0.946) 3.537 6.357 ( -0.770 -2.954 2.345) 3.850 6.559 ( 0.454 0.333 1.274) 1.394 6.799 ( 1.866 -6.053 3.212) 7.102 6.855 ( 1.091 1.760 -4.720) 5.154 7.021 ( -0.645 2.801 -1.120) 3.085 7.134 ( 2.168 2.436 -4.084) 5.227 7.218 ( -0.562 2.653 4.298) 5.082 7.294 ( -0.314 9.140 3.709) 9.869 7.430 ( 6.433 1.394 3.534) 7.471 7.571 ( 1.676 4.583 -0.496) 4.905 7.661 ( -8.111 -6.620 -0.754) 10.497 7.995 ( -0.817 6.167 -0.326) 6.229 8.195 ( 1.524 2.221 -1.038) 2.887 8.271 ( -4.142 -3.684 1.521) 5.748 8.373 ( -7.378 -7.020 -6.756) 12.221 8.650 ( 6.670 2.137 3.935) 8.033 8.655 ( 0.139 1.466 -0.830) 1.691 8.828 ( 1.421 4.559 -0.479) 4.800 10.012 ( 0.424 -6.526 0.789) 6.587 10.168 ( 0.757 -6.419 -0.482) 6.481 10.556 ( -2.439 -3.014 -1.885) 4.311 10.626 ( 1.610 -1.208 1.770) 2.680 11.328 ( 4.428 -5.156 0.202) 6.800 11.380 ( 5.761 -5.023 3.111) 8.252 11.430 ( 1.172 -5.175 0.387) 5.320 11.682 ( -8.182 -1.841 -6.265) 10.468 11.860 ( 10.965 3.572 8.926) 14.582 11.977 ( -7.690 1.527 -3.697) 8.668 12.140 ( 0.600 -0.518 0.648) 1.024 12.188 ( -1.519 1.991 -1.306) 2.824 12.260 ( 2.249 2.243 2.322) 3.935 12.488 ( -2.191 -5.111 -1.715) 5.819 13.080 ( -2.700 0.229 -2.990) 4.035 13.159 ( -1.338 0.622 -0.801) 1.679 13.662 ( 0.348 0.166 -0.031) 0.387 13.757 ( -0.653 3.885 0.050) 3.940 14.065 ( 0.170 -1.072 2.266) 2.513 14.084 ( -1.539 1.927 1.105) 2.703 14.376 ( 8.688 2.901 5.096) 10.482 14.399 ( -4.118 -0.219 -3.844) 5.637 14.504 ( -2.195 -2.590 -0.187) 3.400 14.684 ( -1.264 5.365 -0.494) 5.534 14.911 ( -5.283 5.305 -4.937) 8.968 15.129 ( 4.379 3.445 3.582) 6.624 16.362 ( 2.823 -1.537 1.030) 3.375 16.442 ( 0.377 -0.204 -0.861) 0.962 20.213 ( -0.536 -1.361 -1.309) 1.963 20.239 ( -0.295 -0.512 0.254) 0.643 20.346 ( 1.100 -1.638 1.170) 2.294 20.394 ( -1.559 0.152 -0.423) 1.622 24.448 ( -0.226 -0.258 1.463) 1.502 24.497 ( -0.394 1.794 -1.626) 2.453 24.725 ( 0.721 0.089 -0.633) 0.964 24.776 ( 4.217 1.260 1.339) 4.600 26.075 ( -0.872 -2.036 -1.124) 2.484 26.130 ( 1.439 -0.138 0.979) 1.746 26.407 ( -6.453 -2.426 0.603) 6.920 26.710 ( 1.636 2.326 -1.320) 3.135 27.007 ( 2.512 1.321 1.024) 3.018 27.081 ( 1.395 1.235 -0.221) 1.877 27.263 ( -0.215 -2.293 -0.332) 2.327 27.681 ( -2.002 -0.929 0.636) 2.297 28.239 ( 0.201 -0.793 1.492) 1.702 28.265 ( -0.496 2.348 -0.227) 2.410 28.352 ( 5.376 -1.921 1.223) 5.839 28.452 ( -5.436 -3.588 -6.010) 8.862 28.730 ( 3.522 -0.539 1.836) 4.009 28.991 ( 0.147 -1.030 5.219) 5.322 29.203 ( 1.088 -9.728 -2.014) 9.994 29.683 ( -5.802 7.462 -2.164) 9.697 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 -0.000 0.000) 0.000 1.614 ( -0.000 0.000 -0.000) 0.000 1.966 ( 0.000 -0.000 -0.000) 0.000 2.099 ( 0.000 -0.000 0.000) 0.000 2.272 ( 0.000 -0.000 -0.000) 0.000 2.401 ( 0.000 -0.000 -0.000) 0.000 2.616 ( 0.000 -0.000 -0.000) 0.000 2.738 ( -0.000 0.000 -0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.775 ( -0.000 -0.000 -0.000) 0.000 2.927 ( 0.000 -0.000 -0.000) 0.000 3.060 ( -0.000 -0.000 0.000) 0.000 3.194 ( 0.000 -0.000 -0.000) 0.000 3.248 ( 0.000 -0.000 0.000) 0.000 3.307 ( -0.000 0.000 -0.000) 0.000 3.407 ( 0.000 -0.000 0.000) 0.000 3.731 ( 0.000 -0.000 0.000) 0.000 3.864 ( 0.000 -0.000 -0.000) 0.000 3.933 ( -0.000 0.000 -0.000) 0.000 3.948 ( 0.000 -0.000 0.000) 0.000 3.963 ( -0.000 -0.000 0.000) 0.000 4.110 ( -0.000 0.000 0.000) 0.000 4.120 ( 0.000 -0.000 -0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.271 ( 0.000 -0.000 0.000) 0.000 4.547 ( 0.000 -0.000 -0.000) 0.000 4.608 ( 0.000 -0.000 -0.000) 0.000 4.773 ( 0.000 -0.000 0.000) 0.000 4.829 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 -0.000) 0.000 5.242 ( 0.000 -0.000 0.000) 0.000 5.345 ( 0.000 -0.000 0.000) 0.000 5.470 ( 0.000 -0.000 -0.000) 0.000 5.719 ( 0.000 -0.000 0.000) 0.000 5.782 ( 0.000 -0.000 0.000) 0.000 5.793 ( 0.000 -0.000 -0.000) 0.000 5.927 ( -0.000 -0.000 -0.000) 0.000 6.250 ( 0.000 -0.000 0.000) 0.000 6.388 ( 0.000 -0.000 -0.000) 0.000 6.556 ( 0.000 -0.000 -0.000) 0.000 6.825 ( 0.000 -0.000 0.000) 0.000 6.920 ( 0.000 -0.000 0.000) 0.000 6.986 ( 0.000 0.000 -0.000) 0.000 7.107 ( 0.000 -0.000 -0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.191 ( -0.000 -0.000 -0.000) 0.000 7.452 ( 0.000 -0.000 0.000) 0.000 7.530 ( -0.000 -0.000 0.000) 0.000 7.760 ( 0.000 -0.000 -0.000) 0.000 7.861 ( -0.000 0.000 -0.000) 0.000 8.173 ( 0.000 -0.000 -0.000) 0.000 8.288 ( 0.000 -0.000 0.000) 0.000 8.470 ( -0.000 -0.000 -0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 -0.000 0.000) 0.000 8.757 ( 0.000 -0.000 -0.000) 0.000 10.080 ( 0.000 -0.000 0.000) 0.000 10.233 ( 0.000 -0.000 0.000) 0.000 10.583 ( -0.000 -0.000 -0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 -0.000 -0.000) 0.000 11.440 ( -0.000 -0.000 -0.000) 0.000 11.525 ( -0.000 -0.000 -0.000) 0.000 11.660 ( 0.000 -0.000 0.000) 0.000 11.889 ( -0.000 -0.000 -0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 -0.000 -0.000) 0.000 12.157 ( 0.000 -0.000 0.000) 0.000 12.256 ( -0.000 -0.000 -0.000) 0.000 12.532 ( 0.000 -0.000 -0.000) 0.000 13.076 ( -0.000 -0.000 -0.000) 0.000 13.145 ( 0.000 -0.000 -0.000) 0.000 13.670 ( 0.000 -0.000 -0.000) 0.000 13.706 ( 0.000 -0.000 -0.000) 0.000 14.061 ( 0.000 -0.000 0.000) 0.000 14.078 ( -0.000 -0.000 -0.000) 0.000 14.379 ( -0.000 -0.000 -0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 -0.000 0.000) 0.000 14.591 ( 0.000 0.000 -0.000) 0.000 14.838 ( 0.000 -0.000 0.000) 0.000 15.108 ( 0.000 -0.000 0.000) 0.000 16.387 ( 0.000 -0.000 -0.000) 0.000 16.444 ( 0.000 -0.000 0.000) 0.000 20.231 ( 0.000 -0.000 -0.000) 0.000 20.235 ( -0.000 0.000 0.000) 0.000 20.368 ( -0.000 -0.000 0.000) 0.000 20.387 ( 0.000 -0.000 0.000) 0.000 24.456 ( 0.000 -0.000 0.000) 0.000 24.472 ( 0.000 -0.000 -0.000) 0.000 24.727 ( 0.000 -0.000 0.000) 0.000 24.776 ( 0.000 -0.000 -0.000) 0.000 26.089 ( 0.000 -0.000 -0.000) 0.000 26.141 ( -0.000 -0.000 0.000) 0.000 26.405 ( 0.000 -0.000 0.000) 0.000 26.696 ( -0.000 -0.000 0.000) 0.000 27.001 ( 0.000 -0.000 0.000) 0.000 27.070 ( 0.000 -0.000 0.000) 0.000 27.287 ( 0.000 -0.000 -0.000) 0.000 27.685 ( 0.000 -0.000 -0.000) 0.000 28.234 ( 0.000 0.000 0.000) 0.000 28.238 ( -0.000 -0.000 -0.000) 0.000 28.422 ( 0.000 -0.000 0.000) 0.000 28.443 ( -0.000 -0.000 -0.000) 0.000 28.754 ( 0.000 -0.000 0.000) 0.000 28.988 ( 0.000 -0.000 0.000) 0.000 29.370 ( 0.000 -0.000 0.000) 0.000 29.539 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 27.263 -0.000 -9.088) 28.738 0.347 ( 27.992 -0.000 7.998) 29.112 0.680 ( 52.971 -0.000 29.549) 60.655 1.605 ( 1.787 -0.000 -1.333) 2.230 1.863 ( 7.546 -0.000 1.928) 7.788 2.041 ( -7.598 0.000 -17.701) 19.263 2.197 ( -0.812 0.000 -3.973) 4.056 2.484 ( 6.075 -0.000 -0.686) 6.113 2.594 ( 8.939 -0.000 10.534) 13.816 2.603 ( -7.323 0.000 -4.412) 8.549 2.876 ( 2.658 -0.000 2.888) 3.925 2.939 ( -4.455 0.000 2.991) 5.366 3.087 ( -4.127 0.000 -2.991) 5.097 3.094 ( 3.778 -0.000 -0.807) 3.863 3.257 ( 5.342 -0.000 5.283) 7.513 3.352 ( -6.924 0.000 -8.459) 10.931 3.592 ( -3.211 0.000 -10.996) 11.455 3.592 ( 0.072 -0.000 -3.603) 3.604 3.744 ( 4.854 -0.000 8.764) 10.019 4.034 ( -9.343 0.000 -2.393) 9.644 4.065 ( 6.106 -0.000 2.257) 6.510 4.159 ( -5.802 0.000 -4.311) 7.228 4.221 ( -1.358 0.000 -0.566) 1.471 4.320 ( 6.468 -0.000 4.159) 7.690 4.855 ( -3.139 0.000 -4.523) 5.505 4.932 ( -1.178 0.000 1.543) 1.941 5.132 ( -0.263 0.000 -4.589) 4.597 5.132 ( 4.675 -0.000 4.499) 6.488 5.173 ( 1.282 -0.000 2.534) 2.840 5.398 ( 0.473 -0.000 -0.146) 0.495 5.480 ( -11.068 0.000 4.442) 11.926 5.532 ( 0.317 -0.000 -20.603) 20.605 5.574 ( 1.125 -0.000 -2.154) 2.431 5.684 ( 5.630 -0.000 -5.241) 7.692 5.785 ( 0.938 -0.000 -9.358) 9.405 6.253 ( -2.528 0.000 5.137) 5.726 6.351 ( -3.507 0.000 2.426) 4.264 6.431 ( -2.376 0.000 -0.877) 2.533 6.546 ( 1.563 -0.000 7.196) 7.364 6.944 ( 0.972 -0.000 -0.706) 1.201 6.981 ( -0.895 0.000 -37.249) 37.260 7.075 ( -9.333 0.000 11.906) 15.128 7.186 ( -0.906 0.000 1.166) 1.477 7.193 ( -6.134 0.000 1.333) 6.278 7.314 ( 8.497 -0.000 0.838) 8.538 7.399 ( 1.448 -0.000 -31.596) 31.629 7.498 ( -1.514 0.000 1.907) 2.435 7.632 ( 1.502 -0.000 4.520) 4.763 7.850 ( -3.679 0.000 -0.582) 3.725 7.902 ( 2.033 -0.000 2.818) 3.475 8.260 ( 4.540 -0.000 -1.429) 4.759 8.606 ( -0.652 0.000 -2.726) 2.803 8.649 ( 1.197 -0.000 -1.767) 2.134 8.722 ( 2.770 -0.000 1.618) 3.208 8.770 ( 2.660 -0.000 -0.772) 2.770 8.859 ( -3.160 0.000 -2.493) 4.025 9.247 ( 10.397 -0.000 5.946) 11.977 9.629 ( -3.392 0.000 -4.265) 5.450 10.286 ( -0.777 0.000 -1.184) 1.416 10.355 ( 3.469 -0.000 1.911) 3.960 10.638 ( 3.792 -0.000 2.665) 4.635 11.055 ( 2.364 -0.000 0.055) 2.365 11.067 ( 0.149 -0.000 -1.052) 1.063 11.240 ( -0.910 0.000 -0.623) 1.103 11.843 ( -7.473 0.000 -4.019) 8.485 12.087 ( -0.839 0.000 -0.063) 0.842 12.117 ( -1.643 0.000 1.013) 1.930 12.156 ( 0.249 -0.000 12.623) 12.625 12.314 ( 1.114 -0.000 24.704) 24.730 12.319 ( 0.435 -0.000 1.001) 1.092 13.439 ( -20.795 0.000 -13.794) 24.954 13.718 ( 1.502 -0.000 3.913) 4.191 13.913 ( -1.479 0.000 -3.321) 3.636 14.014 ( 0.553 -0.000 2.744) 2.799 14.381 ( 1.743 -0.000 -25.728) 25.787 14.416 ( -6.917 0.000 -1.670) 7.115 14.513 ( -2.274 0.000 3.593) 4.252 14.592 ( 6.389 -0.000 2.193) 6.755 14.693 ( -4.245 0.000 95.429) 95.523 14.762 ( 4.633 -0.000 4.565) 6.505 15.217 ( 9.789 -0.000 1.279) 9.872 15.464 ( -4.174 0.000 -2.634) 4.936 16.230 ( 0.677 -0.000 0.008) 0.678 16.327 ( -0.348 0.000 13.796) 13.800 19.857 ( 1.545 -0.000 0.473) 1.615 19.984 ( -0.700 0.000 -0.731) 1.012 20.297 ( 2.093 -0.000 1.376) 2.505 20.447 ( -1.518 0.000 -0.737) 1.687 24.488 ( 0.303 -0.000 0.774) 0.831 24.624 ( 0.880 -0.000 -0.056) 0.881 24.742 ( 1.146 -0.000 -1.685) 2.038 25.390 ( -4.129 0.000 41.370) 41.575 25.923 ( -0.029 0.000 0.482) 0.483 26.175 ( -0.242 0.000 -2.123) 2.136 26.274 ( 5.253 -0.000 -67.738) 67.941 26.940 ( -4.848 0.000 4.014) 6.294 27.010 ( 0.466 -0.000 0.355) 0.586 27.013 ( 1.731 -0.000 -0.989) 1.994 27.166 ( -0.205 0.000 -2.381) 2.390 27.672 ( -3.561 0.000 9.173) 9.840 27.847 ( -2.878 0.000 62.272) 62.338 27.922 ( -1.341 0.000 -0.305) 1.375 28.096 ( -0.542 0.000 -4.719) 4.750 28.269 ( -2.878 0.000 0.609) 2.941 28.565 ( 1.196 -0.000 0.638) 1.356 28.757 ( -0.389 0.000 -3.266) 3.289 29.370 ( 5.029 -0.000 3.994) 6.422 29.886 ( 3.457 -0.000 -46.716) 46.843 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 10.726 -19.505 3.309) 22.504 0.892 ( 22.962 -21.601 8.744) 32.716 1.322 ( 26.517 -26.126 13.898) 39.735 1.630 ( 3.262 -1.871 -1.112) 3.922 1.869 ( 2.968 3.111 -7.373) 8.535 2.059 ( 3.310 -5.910 -2.021) 7.069 2.157 ( 2.501 2.859 -5.378) 6.585 2.527 ( -1.850 1.053 -2.415) 3.219 2.544 ( 6.238 -1.168 1.739) 6.580 2.674 ( 1.310 -1.791 4.715) 5.211 2.860 ( -8.054 -1.487 7.435) 11.061 2.931 ( 3.919 0.925 -0.706) 4.089 3.110 ( 0.995 -0.002 1.644) 1.922 3.151 ( 0.071 -4.949 -4.254) 6.527 3.316 ( 4.905 -2.344 7.126) 8.963 3.325 ( -4.809 -1.209 -8.455) 9.802 3.546 ( -2.123 3.325 -4.162) 5.734 3.560 ( -3.766 -0.486 -8.991) 9.759 3.760 ( 1.775 0.621 5.969) 6.258 3.924 ( -2.884 1.873 1.005) 3.583 4.063 ( -2.876 4.427 -5.525) 7.642 4.213 ( 2.040 -8.019 1.222) 8.364 4.228 ( -0.917 -1.213 -0.712) 1.679 4.409 ( 4.467 -2.917 3.363) 6.307 4.835 ( -4.937 1.852 -5.136) 7.361 4.912 ( -2.404 -0.932 0.292) 2.595 4.990 ( 1.104 10.153 -2.654) 10.552 5.152 ( 6.407 2.207 5.754) 8.890 5.182 ( 3.173 2.131 -1.002) 3.951 5.306 ( -0.740 7.712 -0.538) 7.766 5.372 ( -3.355 1.384 3.928) 5.348 5.525 ( -7.269 0.439 2.202) 7.608 5.656 ( -4.272 -2.756 -9.419) 10.704 5.717 ( 1.680 2.612 -4.749) 5.675 5.817 ( 4.045 -5.550 -7.691) 10.311 6.183 ( -0.755 4.342 8.500) 9.575 6.357 ( -2.699 -1.416 2.112) 3.708 6.398 ( -1.523 3.612 0.693) 3.981 6.549 ( 4.423 5.473 1.517) 7.199 6.574 ( 4.021 8.033 2.287) 9.269 6.911 ( -6.475 7.864 9.808) 14.141 6.993 ( 0.024 1.308 -9.496) 9.586 7.124 ( -3.292 -4.610 -0.045) 5.665 7.220 ( 5.762 5.649 0.218) 8.072 7.429 ( -3.579 2.379 -1.602) 4.586 7.489 ( -6.943 -6.971 3.057) 10.303 7.606 ( -2.510 0.656 2.606) 3.677 7.773 ( -10.440 -5.514 -7.295) 13.879 7.824 ( -4.593 -1.018 -3.981) 6.162 7.920 ( 0.760 -0.156 -0.909) 1.195 8.185 ( 3.402 8.614 -1.268) 9.348 8.487 ( 4.391 10.677 -2.341) 11.780 8.627 ( -4.431 2.431 -4.759) 6.942 8.735 ( -0.329 2.549 -2.227) 3.401 8.835 ( 2.868 1.418 -0.202) 3.205 8.878 ( -3.515 -7.036 -2.153) 8.154 9.408 ( 7.388 -8.821 4.209) 12.252 9.665 ( -2.763 -5.577 -3.534) 7.157 10.320 ( -1.928 -3.900 -2.398) 4.967 10.423 ( 4.354 -3.592 2.219) 6.065 10.752 ( 5.872 -7.818 3.791) 10.487 11.072 ( 2.614 -1.782 -0.059) 3.164 11.116 ( 0.680 -3.121 -0.537) 3.239 11.320 ( -2.117 -8.312 -1.825) 8.769 11.838 ( -8.386 -4.008 -4.238) 10.215 12.028 ( 4.664 1.553 4.642) 6.761 12.096 ( -1.827 1.246 1.301) 2.565 12.203 ( 1.709 3.032 5.075) 6.154 12.216 ( -1.125 -2.476 3.804) 4.676 12.481 ( -0.628 -4.838 7.040) 8.565 13.271 ( -21.784 2.834 -13.775) 25.929 13.589 ( 30.806 32.087 11.661) 45.984 13.716 ( 0.250 0.866 2.497) 2.655 13.951 ( -0.622 1.515 -2.583) 3.059 14.010 ( 0.988 1.930 5.787) 6.180 14.384 ( -3.460 4.339 -2.873) 6.249 14.503 ( -1.990 0.441 -2.214) 3.009 14.522 ( 0.541 3.245 8.267) 8.897 14.595 ( 6.251 3.345 3.779) 8.033 14.934 ( -2.832 0.560 2.076) 3.556 15.320 ( 6.788 2.286 3.404) 7.930 15.393 ( -2.790 3.693 -0.540) 4.659 16.216 ( 4.075 0.057 1.504) 4.344 16.347 ( 1.843 -2.417 1.669) 3.468 19.994 ( -3.807 -5.346 -2.968) 7.203 20.060 ( -3.401 -6.897 1.174) 7.779 20.304 ( 2.832 0.740 2.058) 3.578 20.433 ( -2.342 0.322 -1.014) 2.572 24.483 ( 0.109 0.776 1.054) 1.314 24.616 ( 1.094 1.454 -0.454) 1.875 24.744 ( 1.425 0.520 -2.058) 2.557 25.034 ( 18.984 17.077 9.727) 27.325 25.934 ( -0.130 -1.200 0.675) 1.383 26.142 ( 3.302 2.703 -9.883) 10.765 26.205 ( -0.512 -2.109 -4.249) 4.771 26.905 ( -5.789 1.013 3.499) 6.840 27.023 ( 1.128 -1.469 0.523) 1.925 27.063 ( 2.686 -0.157 -0.132) 2.694 27.093 ( 3.697 -0.910 -0.756) 3.882 27.680 ( -3.924 -1.028 3.496) 5.355 27.924 ( 0.144 -2.063 0.232) 2.081 27.940 ( -3.306 -5.587 4.888) 8.127 28.192 ( -1.140 -10.691 0.992) 10.798 28.431 ( -6.600 -4.523 2.457) 8.370 28.536 ( 1.638 3.391 -0.764) 3.842 28.807 ( -1.849 -2.013 0.763) 2.838 29.347 ( 4.957 4.790 2.834) 7.453 29.956 ( -8.903 -2.197 -14.231) 16.930 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 4.095 -18.508 2.759) 19.156 1.437 ( 17.555 -20.597 8.560) 28.385 1.546 ( -2.564 1.383 -0.259) 2.924 1.817 ( 0.828 -9.855 -0.666) 9.912 2.004 ( 11.103 -9.293 -0.163) 14.479 2.121 ( 4.971 0.871 -0.730) 5.099 2.210 ( 13.297 -0.564 -0.606) 13.323 2.509 ( 0.181 -1.914 -3.073) 3.625 2.668 ( -3.106 -1.081 -0.004) 3.289 2.740 ( 7.386 -9.138 2.476) 12.008 2.880 ( -4.775 -3.765 7.432) 9.603 2.969 ( 5.254 -3.705 0.033) 6.429 3.106 ( -4.279 -0.874 1.036) 4.488 3.226 ( 4.972 -1.426 -0.364) 5.185 3.323 ( -2.035 -1.173 -1.750) 2.929 3.355 ( 0.530 2.585 -1.427) 2.999 3.439 ( -3.723 3.414 -4.327) 6.651 3.592 ( -6.316 -6.537 -8.893) 12.717 3.798 ( 1.189 -3.032 6.011) 6.837 3.917 ( -1.555 -3.474 -1.888) 4.249 4.019 ( 5.516 1.324 -1.503) 5.869 4.231 ( -1.280 -0.124 -2.484) 2.797 4.367 ( 2.927 -3.780 -0.492) 4.806 4.447 ( 1.374 1.772 5.062) 5.536 4.711 ( -1.765 6.700 -3.439) 7.735 4.822 ( -2.011 5.223 -0.411) 5.612 4.912 ( -2.080 4.992 -0.310) 5.417 5.037 ( -1.468 5.741 -0.741) 5.972 5.110 ( -5.831 6.598 0.869) 8.848 5.183 ( 3.060 2.886 2.592) 4.941 5.350 ( -4.609 4.354 3.200) 7.102 5.437 ( 0.642 4.166 2.082) 4.702 5.614 ( -3.350 3.848 -6.625) 8.362 5.688 ( 1.206 -1.345 -2.201) 2.847 5.920 ( 2.619 -1.219 -8.978) 9.431 6.163 ( 2.492 -1.025 12.214) 12.508 6.254 ( 3.177 10.446 2.842) 11.282 6.322 ( -5.925 4.795 -0.972) 7.684 6.377 ( 1.136 6.807 -0.996) 6.972 6.571 ( -1.174 -0.345 4.030) 4.211 6.738 ( -4.408 4.696 5.672) 8.583 6.955 ( -0.051 2.167 -9.785) 10.022 7.152 ( 0.996 2.392 -1.633) 3.063 7.211 ( 1.599 -1.222 5.616) 5.966 7.315 ( -4.557 3.199 -1.908) 5.885 7.517 ( -7.197 -0.092 -0.534) 7.218 7.564 ( -4.621 2.405 1.373) 5.387 7.665 ( -1.254 8.305 3.123) 8.961 7.825 ( -1.084 1.099 -5.522) 5.734 7.926 ( -2.639 0.101 -2.338) 3.528 8.086 ( 2.373 -0.470 2.614) 3.562 8.351 ( 9.093 7.878 1.084) 12.080 8.512 ( -0.846 7.428 -1.769) 7.683 8.632 ( -3.276 3.089 -4.026) 6.040 8.824 ( 2.121 2.515 -1.012) 3.442 8.944 ( -1.316 -1.488 -2.017) 2.831 9.637 ( 3.498 -10.575 1.967) 11.311 9.806 ( -0.024 -9.513 -1.120) 9.579 10.390 ( -3.909 -4.708 -4.113) 7.372 10.529 ( 5.331 -3.818 3.404) 7.388 10.979 ( 7.706 -10.223 4.110) 13.446 11.162 ( 4.599 -5.146 0.883) 6.958 11.201 ( 0.743 -5.262 0.172) 5.317 11.478 ( -4.985 -8.731 -4.160) 10.880 11.878 ( -5.746 -4.453 -2.955) 7.846 12.018 ( 1.282 1.999 2.924) 3.767 12.098 ( 0.564 -1.511 -0.064) 1.615 12.197 ( -4.045 -1.532 1.231) 4.498 12.259 ( 2.754 -2.217 3.454) 4.942 12.492 ( 1.690 3.722 5.443) 6.807 13.103 ( -16.197 1.039 -10.514) 19.338 13.321 ( 16.023 13.019 4.157) 21.060 13.697 ( -0.222 1.106 0.978) 1.493 13.917 ( -1.037 2.595 -2.858) 3.998 13.993 ( -0.971 -0.492 5.065) 5.181 14.263 ( -1.935 5.726 0.739) 6.089 14.446 ( -3.170 2.806 -5.312) 6.792 14.480 ( -1.454 1.683 3.989) 4.567 14.560 ( 7.666 4.378 4.707) 10.005 14.870 ( -1.700 4.036 -0.857) 4.462 15.183 ( -8.513 7.532 -8.183) 14.005 15.345 ( 9.759 5.629 8.701) 14.235 16.278 ( 5.639 -2.432 1.982) 6.453 16.403 ( 0.868 -2.139 -0.986) 2.510 20.078 ( -2.865 -5.391 -3.112) 6.852 20.151 ( -1.086 -4.127 0.658) 4.318 20.311 ( 3.119 0.366 2.698) 4.140 20.406 ( -3.155 0.537 -1.203) 3.419 24.466 ( 0.307 1.006 1.294) 1.668 24.583 ( 0.802 2.331 -1.041) 2.676 24.739 ( 1.221 0.641 -2.007) 2.435 24.919 ( 12.179 6.936 4.520) 14.726 25.968 ( -0.303 -2.375 0.612) 2.471 26.129 ( 0.915 0.203 -2.892) 3.040 26.254 ( -3.097 -3.741 -2.141) 5.308 26.831 ( -5.248 2.809 1.259) 6.084 27.064 ( 3.142 0.995 0.857) 3.405 27.073 ( 1.469 -2.541 1.007) 3.103 27.167 ( 3.794 -2.470 -1.421) 4.745 27.657 ( -4.955 0.261 2.556) 5.582 28.020 ( 2.837 -6.500 1.161) 7.186 28.075 ( -3.418 -9.737 -3.359) 10.852 28.416 ( -1.172 -2.853 3.150) 4.409 28.437 ( -0.827 -0.258 1.808) 2.004 28.500 ( 2.093 -7.136 -1.001) 7.504 28.807 ( 0.193 1.001 0.098) 1.024 29.257 ( 2.596 6.420 1.679) 7.126 29.882 ( -9.356 2.686 -6.310) 11.600 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.385 -13.351 0.027) 13.422 1.508 ( -3.796 -0.938 -0.476) 3.939 1.862 ( 11.596 -11.129 5.434) 16.966 2.048 ( 8.911 -6.697 -1.899) 11.308 2.149 ( 4.333 -7.718 -1.580) 8.991 2.192 ( 7.233 -1.515 3.405) 8.136 2.315 ( 12.792 -5.630 2.113) 14.135 2.593 ( 2.893 -4.415 0.456) 5.298 2.632 ( -3.231 0.999 -2.475) 4.191 2.865 ( -4.787 -3.738 0.480) 6.092 2.937 ( -2.233 -4.091 6.516) 8.011 3.040 ( -2.622 0.980 -2.247) 3.590 3.142 ( 1.679 -1.460 -1.656) 2.774 3.234 ( -7.489 3.565 -7.619) 11.262 3.310 ( 2.959 -0.504 -1.880) 3.542 3.393 ( 1.426 -0.425 2.948) 3.302 3.415 ( 3.563 -9.105 4.665) 10.833 3.703 ( -6.989 -8.150 -9.145) 14.103 3.856 ( 1.630 -2.836 3.648) 4.900 4.010 ( 0.621 -0.012 -2.819) 2.886 4.040 ( 2.871 -2.662 1.279) 4.119 4.208 ( -0.358 2.535 -2.158) 3.348 4.328 ( -1.082 10.289 1.894) 10.518 4.401 ( 9.534 2.593 2.857) 10.285 4.610 ( 1.175 1.994 -4.442) 5.009 4.664 ( -8.398 12.397 3.987) 15.496 4.757 ( -1.471 4.612 1.335) 5.022 4.864 ( -3.072 6.101 -3.702) 7.769 5.032 ( -5.853 13.063 7.345) 16.089 5.098 ( -5.623 -2.959 -0.688) 6.391 5.248 ( 1.473 -0.971 -6.414) 6.652 5.334 ( -1.046 6.846 4.667) 8.351 5.560 ( 0.509 0.411 -2.601) 2.682 5.745 ( 1.861 -2.020 -1.736) 3.249 5.881 ( 3.115 5.041 -4.506) 7.444 6.045 ( -1.566 10.429 2.830) 10.919 6.115 ( -11.135 7.270 -8.397) 15.727 6.244 ( 8.703 0.665 15.394) 17.697 6.316 ( 3.420 0.648 -2.311) 4.178 6.569 ( 0.186 0.064 3.164) 3.170 6.712 ( -1.500 -2.834 2.184) 3.880 6.907 ( 2.002 2.358 -5.981) 6.734 7.098 ( 1.000 4.499 0.334) 4.621 7.169 ( -2.343 2.374 -4.784) 5.832 7.288 ( 1.521 2.339 7.270) 7.786 7.453 ( -3.875 2.068 -1.323) 4.587 7.471 ( -5.465 2.767 -1.518) 6.311 7.552 ( 2.935 3.341 5.139) 6.796 7.696 ( -1.314 7.604 -2.159) 8.014 7.985 ( -7.268 -7.263 -4.018) 11.033 8.163 ( -0.000 -3.588 2.794) 4.548 8.247 ( 0.637 5.317 -3.058) 6.167 8.354 ( 1.457 7.123 -0.263) 7.275 8.633 ( 2.749 -2.216 0.920) 3.649 8.761 ( 1.459 4.400 -1.514) 4.877 8.924 ( 0.617 3.021 -0.547) 3.132 9.855 ( 2.202 -9.739 1.162) 10.052 10.006 ( 0.486 -9.960 0.010) 9.972 10.444 ( -5.503 -4.081 -5.143) 8.566 10.629 ( 6.311 -2.451 4.942) 8.382 11.215 ( 5.471 -8.502 0.820) 10.144 11.315 ( 5.183 -7.073 2.396) 9.090 11.325 ( 3.881 -5.718 1.741) 7.127 11.568 ( -7.045 -4.587 -5.499) 10.045 11.922 ( -5.234 -2.529 -3.105) 6.591 11.992 ( 3.750 2.449 4.579) 6.406 12.126 ( 0.433 -0.902 -0.345) 1.058 12.180 ( -7.687 -0.997 -2.669) 8.198 12.279 ( -5.725 1.863 -2.667) 6.585 12.468 ( 11.379 0.128 9.571) 14.870 13.028 ( -8.534 -1.018 -6.011) 10.488 13.225 ( 7.748 5.063 2.205) 9.515 13.674 ( -0.462 0.954 -0.127) 1.068 13.838 ( -0.649 4.515 -0.806) 4.632 14.012 ( -2.530 -1.836 2.168) 3.804 14.159 ( 0.876 4.129 3.393) 5.416 14.370 ( -6.770 1.440 -6.697) 9.631 14.444 ( -0.310 1.171 2.402) 2.690 14.529 ( 7.018 3.481 4.234) 8.904 14.767 ( -3.020 4.759 -2.235) 6.063 14.984 ( -7.841 6.576 -7.129) 12.472 15.280 ( 8.232 6.903 6.969) 12.806 16.354 ( 4.282 -1.710 1.459) 4.836 16.437 ( 1.017 -0.897 -1.249) 1.843 20.155 ( -1.844 -3.859 -2.374) 4.892 20.212 ( 0.217 -2.293 0.432) 2.344 20.331 ( 2.025 -0.635 2.030) 2.937 20.380 ( -2.915 -0.047 -0.760) 3.012 24.452 ( 0.488 0.608 1.468) 1.662 24.538 ( 0.456 2.444 -1.380) 2.844 24.732 ( 0.396 0.542 -1.827) 1.947 24.872 ( 7.546 4.566 2.925) 9.292 26.019 ( -0.478 -2.852 -0.111) 2.894 26.135 ( 0.831 -0.346 -0.397) 0.984 26.301 ( -5.353 -3.659 -0.539) 6.507 26.753 ( -2.919 2.314 -0.709) 3.792 27.060 ( 3.179 1.502 1.335) 3.761 27.123 ( 3.747 -0.107 0.625) 3.800 27.217 ( 1.442 -1.465 -0.984) 2.279 27.635 ( -4.796 -1.288 1.382) 5.155 28.176 ( 2.924 -6.058 2.284) 7.104 28.235 ( -3.402 -7.617 -3.875) 9.198 28.369 ( -0.500 2.700 -3.286) 4.282 28.400 ( 2.746 1.681 1.669) 3.626 28.758 ( 4.681 -2.230 5.037) 7.229 28.830 ( -1.355 -11.871 1.220) 12.010 29.153 ( -0.079 4.010 -1.151) 4.173 29.753 ( -8.407 4.526 -3.540) 10.184 ======================= Grid point 16 (11/141) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -1.128 -4.595 0.221) 4.737 1.573 ( 0.890 -6.121 -0.556) 6.211 2.000 ( 9.200 0.605 -2.532) 9.561 2.125 ( 5.894 0.813 2.895) 6.617 2.271 ( 7.288 -1.884 -0.450) 7.541 2.373 ( 3.950 -5.461 1.243) 6.854 2.549 ( 4.153 -8.186 4.926) 10.417 2.626 ( -1.042 -6.006 -0.251) 6.101 2.699 ( 2.918 -3.039 1.150) 4.367 2.861 ( -8.646 0.665 1.800) 8.856 2.932 ( -2.885 6.713 -2.905) 7.863 2.992 ( -4.225 -2.438 -3.745) 6.149 3.151 ( -3.017 -2.124 -3.438) 5.043 3.239 ( 1.265 -5.227 1.911) 5.707 3.310 ( 0.792 0.475 -2.367) 2.541 3.410 ( 3.177 -1.208 1.370) 3.665 3.640 ( 3.591 -9.012 5.286) 11.048 3.788 ( -3.687 -4.232 -6.074) 8.270 3.924 ( 0.799 -0.709 2.919) 3.109 3.961 ( -2.663 2.126 -1.683) 3.800 4.057 ( -1.070 7.056 0.198) 7.140 4.127 ( -0.182 1.267 -1.615) 2.061 4.149 ( 4.515 3.189 -3.171) 6.373 4.278 ( -3.428 11.061 4.763) 12.521 4.398 ( -0.960 9.025 3.469) 9.716 4.634 ( -0.180 5.548 -3.902) 6.786 4.643 ( -3.252 4.852 -1.483) 6.026 4.756 ( -3.659 1.717 1.904) 4.468 4.800 ( -1.267 2.001 0.265) 2.383 5.140 ( -0.473 -3.861 0.795) 3.970 5.239 ( -0.955 1.718 2.460) 3.149 5.324 ( -1.577 -3.938 -3.979) 5.816 5.542 ( 1.496 4.046 -2.363) 4.918 5.754 ( -0.955 0.499 -0.396) 1.148 5.816 ( 5.578 4.147 2.141) 7.273 5.871 ( -1.936 8.804 -2.909) 9.472 5.926 ( -3.421 0.784 -1.299) 3.742 6.285 ( 9.351 1.204 9.529) 13.405 6.365 ( 1.650 -2.473 -0.573) 3.028 6.567 ( 0.457 0.632 1.200) 1.431 6.777 ( -3.240 -3.585 -0.043) 4.832 6.919 ( 7.380 -1.417 -0.063) 7.515 6.988 ( -3.907 4.394 -2.421) 6.359 7.137 ( -0.919 -0.007 -3.765) 3.875 7.205 ( -2.562 5.423 3.139) 6.769 7.318 ( 3.091 8.771 1.181) 9.374 7.436 ( -5.614 -0.031 -2.401) 6.106 7.565 ( -2.510 4.055 -2.175) 5.242 7.624 ( 2.037 -7.564 2.800) 8.319 7.984 ( 0.516 5.618 0.635) 5.678 8.170 ( -6.244 -1.204 0.154) 6.361 8.261 ( -2.820 -6.521 -2.866) 7.661 8.302 ( 2.024 -0.568 0.875) 2.276 8.644 ( -1.727 3.302 -5.481) 6.628 8.734 ( 5.928 -0.499 5.118) 7.847 8.845 ( 1.633 5.433 0.389) 5.686 10.027 ( 2.059 -5.925 0.920) 6.339 10.168 ( -0.728 -6.116 0.331) 6.169 10.488 ( -5.659 -4.194 -5.354) 8.847 10.696 ( 6.857 0.141 5.683) 8.907 11.338 ( -2.124 -3.578 -3.202) 5.250 11.440 ( 4.647 -2.269 1.055) 5.278 11.490 ( 5.561 -5.108 3.203) 8.202 11.604 ( -2.677 -4.008 -1.957) 5.202 11.859 ( -10.267 3.166 -5.986) 12.299 11.991 ( 8.446 1.871 7.563) 11.491 12.133 ( -4.450 -1.385 -1.975) 5.062 12.164 ( -1.693 1.093 -1.518) 2.523 12.202 ( -5.571 -0.466 -4.475) 7.161 12.564 ( 10.698 -0.896 8.806) 13.885 13.024 ( -4.241 -2.316 -3.092) 5.737 13.194 ( 5.040 2.422 2.242) 6.024 13.661 ( -0.652 -0.095 -0.696) 0.959 13.749 ( -0.389 3.792 -0.083) 3.813 14.019 ( -4.043 -0.860 -0.771) 4.204 14.125 ( 4.007 1.430 4.479) 6.178 14.307 ( -9.735 -0.555 -7.491) 12.296 14.439 ( 1.812 0.375 3.175) 3.675 14.523 ( 4.107 0.128 2.434) 4.775 14.657 ( -3.140 4.093 -3.417) 6.188 14.854 ( -2.840 2.810 -2.590) 4.761 15.190 ( 4.617 6.193 3.762) 8.592 16.389 ( 1.262 -0.145 0.239) 1.293 16.452 ( 1.455 0.108 -0.224) 1.476 20.206 ( -0.368 -2.215 -0.974) 2.447 20.236 ( -0.065 -0.186 0.091) 0.217 20.355 ( -0.211 -1.057 -0.132) 1.086 20.378 ( -0.587 -0.694 0.711) 1.154 24.451 ( 0.509 -0.127 1.476) 1.566 24.497 ( 0.434 1.914 -1.387) 2.403 24.722 ( -0.853 0.283 -1.529) 1.774 24.828 ( 3.754 3.524 1.871) 5.479 26.064 ( -0.802 -1.935 -0.648) 2.192 26.150 ( 1.606 -0.128 0.540) 1.700 26.340 ( -4.611 -3.929 0.333) 6.067 26.708 ( -1.264 1.134 -1.120) 2.034 27.046 ( 3.245 2.017 1.275) 4.028 27.104 ( 2.653 3.267 -0.195) 4.213 27.260 ( -0.263 -2.341 -0.341) 2.380 27.651 ( -2.811 -2.400 0.600) 3.745 28.232 ( -0.943 0.315 -0.136) 1.003 28.276 ( 1.620 1.792 1.570) 2.880 28.376 ( -3.677 -3.379 -5.346) 7.316 28.433 ( 4.953 -2.055 2.290) 5.831 28.764 ( 1.870 0.593 -0.300) 1.985 28.994 ( -0.529 -0.132 5.553) 5.580 29.218 ( 1.685 -11.652 -2.511) 12.038 29.606 ( -6.296 5.709 -1.880) 8.705 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.521 1.224 -0.974) 1.649 1.647 ( 3.092 -2.154 0.542) 3.807 1.992 ( 4.549 4.213 -3.302) 7.024 2.121 ( 2.938 2.131 2.305) 4.299 2.267 ( -1.150 5.576 2.655) 6.282 2.391 ( -0.992 2.825 -0.556) 3.045 2.566 ( -7.444 7.229 -2.832) 10.756 2.712 ( -1.235 3.950 -3.298) 5.291 2.740 ( -2.394 -0.853 2.045) 3.262 2.794 ( 1.909 -6.554 4.146) 7.987 2.891 ( -4.696 -4.449 2.779) 7.040 3.052 ( -0.417 -3.541 -6.527) 7.437 3.192 ( -0.801 -0.361 1.774) 1.980 3.248 ( -0.066 6.261 2.304) 6.672 3.321 ( 3.104 -1.716 -3.122) 4.725 3.474 ( 8.638 -1.198 5.697) 10.417 3.725 ( -0.996 5.052 -1.015) 5.248 3.809 ( -7.162 -3.742 -0.244) 8.085 3.909 ( -3.114 1.106 -1.346) 3.569 3.926 ( -3.562 1.956 -5.344) 6.713 4.001 ( 5.399 -7.340 1.904) 9.309 4.093 ( -0.901 3.688 3.338) 5.055 4.167 ( 5.600 -0.091 1.478) 5.793 4.194 ( 3.989 -4.721 -6.368) 8.875 4.316 ( 5.339 -1.383 5.838) 8.031 4.513 ( -4.487 -0.314 -6.512) 7.915 4.572 ( -5.703 1.320 4.139) 7.169 4.769 ( -2.050 -6.280 -2.097) 6.931 4.816 ( -0.516 0.014 0.298) 0.596 5.185 ( 0.821 1.999 0.140) 2.165 5.244 ( 0.157 -0.984 1.132) 1.509 5.342 ( -0.357 -0.903 -0.635) 1.161 5.471 ( 0.367 -0.058 -0.844) 0.922 5.652 ( -7.449 5.904 -5.693) 11.080 5.763 ( -0.412 0.029 -0.218) 0.467 5.793 ( 0.053 1.395 0.193) 1.409 6.032 ( 9.020 -5.350 5.443) 11.815 6.304 ( 8.320 2.871 11.274) 14.303 6.403 ( 3.764 0.198 -2.968) 4.797 6.557 ( 0.124 0.312 0.077) 0.345 6.818 ( -1.177 -2.313 2.694) 3.740 6.888 ( -3.391 3.407 -3.828) 6.145 6.997 ( -1.640 -0.190 2.166) 2.723 7.076 ( -4.548 1.274 -2.288) 5.248 7.162 ( 1.239 -2.643 -5.265) 6.020 7.232 ( 4.437 1.640 2.203) 5.218 7.377 ( -8.555 1.003 -3.666) 9.361 7.507 ( -3.614 -0.218 -1.466) 3.906 7.766 ( 0.835 -2.415 -0.572) 2.618 7.919 ( 6.192 0.292 2.137) 6.557 8.173 ( 1.342 -1.289 4.035) 4.443 8.314 ( 3.234 0.104 4.130) 5.246 8.424 ( -5.450 -9.971 -4.538) 12.236 8.550 ( -2.951 3.989 -5.185) 7.177 8.731 ( 2.129 5.639 0.086) 6.028 8.783 ( 1.991 -0.061 3.823) 4.311 10.089 ( 1.343 0.958 0.092) 1.652 10.227 ( -1.090 -0.229 0.871) 1.414 10.527 ( -4.820 -2.813 -4.788) 7.353 10.706 ( 6.143 2.939 4.807) 8.335 11.348 ( -4.122 0.356 -2.187) 4.680 11.449 ( -0.731 3.203 -0.763) 3.373 11.507 ( -0.394 2.869 -0.483) 2.936 11.707 ( 0.421 -3.104 0.432) 3.162 11.763 ( -2.498 -0.414 -1.812) 3.114 12.014 ( 7.664 0.974 5.110) 9.263 12.134 ( -1.556 -0.998 -1.139) 2.172 12.141 ( -5.516 -2.022 -3.139) 6.661 12.199 ( -3.315 -0.699 -3.393) 4.795 12.611 ( 9.120 2.761 7.327) 12.020 13.047 ( -2.988 -2.072 -1.735) 4.029 13.195 ( 6.042 0.833 3.836) 7.205 13.661 ( -1.357 0.034 -0.658) 1.509 13.710 ( 0.438 -0.514 -0.099) 0.682 14.014 ( -2.984 -1.405 -3.115) 4.537 14.129 ( 3.471 1.060 2.374) 4.337 14.271 ( -9.796 -1.813 -5.783) 11.519 14.433 ( 1.785 1.298 2.401) 3.261 14.575 ( 2.110 0.705 -0.862) 2.386 14.592 ( 0.146 -2.146 0.507) 2.210 14.848 ( 1.381 -2.898 1.483) 3.537 15.112 ( 0.463 3.057 0.272) 3.103 16.378 ( -1.041 1.242 -0.503) 1.696 16.451 ( 0.825 0.647 0.449) 1.141 20.229 ( -0.213 0.459 0.584) 0.772 20.237 ( 0.309 -0.851 -0.589) 1.080 20.362 ( -0.662 0.238 -0.601) 0.925 20.392 ( 0.563 -0.638 0.601) 1.042 24.458 ( 0.278 0.270 -0.200) 0.436 24.478 ( 0.951 -0.246 0.392) 1.058 24.709 ( -2.221 -0.029 -1.301) 2.574 24.783 ( 0.678 2.462 1.051) 2.761 26.087 ( -0.302 -0.957 0.281) 1.042 26.143 ( 0.253 1.510 -0.307) 1.562 26.415 ( 1.483 -4.574 -0.140) 4.810 26.679 ( -2.392 0.940 0.079) 2.572 27.014 ( 1.679 2.608 0.157) 3.106 27.070 ( -0.014 0.591 0.117) 0.602 27.287 ( 0.018 -0.187 -0.028) 0.190 27.682 ( -0.444 -1.446 0.019) 1.512 28.220 ( -0.853 -0.490 -0.536) 1.121 28.257 ( 1.534 0.557 0.681) 1.768 28.367 ( -4.323 1.513 -3.228) 5.603 28.506 ( 5.370 -1.339 4.489) 7.126 28.748 ( -0.855 2.032 -0.975) 2.410 28.979 ( -1.237 -0.234 -0.714) 1.447 29.372 ( 0.364 4.820 -0.730) 4.888 29.540 ( 0.021 -7.653 0.879) 7.703 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 2.482 4.853 -2.098) 5.841 1.611 ( 1.027 6.891 1.072) 7.049 1.941 ( 3.737 3.003 -1.947) 5.175 2.088 ( -2.075 1.268 0.929) 2.603 2.111 ( -1.266 7.783 4.053) 8.866 2.234 ( -7.425 11.175 -1.403) 13.490 2.274 ( -10.575 12.652 -4.195) 17.015 2.604 ( -1.892 6.982 0.980) 7.300 2.769 ( 3.937 -1.622 1.088) 4.395 2.934 ( 0.572 -5.789 0.438) 5.834 2.975 ( -3.154 -4.160 2.927) 5.985 3.056 ( 2.210 5.835 2.412) 6.690 3.072 ( -0.509 2.296 -2.378) 3.345 3.160 ( -6.382 2.069 -4.152) 7.890 3.405 ( 5.217 -1.328 -0.713) 5.431 3.525 ( 8.313 2.521 4.122) 9.615 3.582 ( 1.626 7.224 0.076) 7.405 3.812 ( -5.299 0.839 -0.395) 5.379 3.877 ( -2.013 1.934 -3.490) 4.469 3.930 ( -4.024 -8.129 -0.893) 9.114 4.108 ( 1.970 -2.162 2.945) 4.150 4.134 ( 3.610 4.199 -0.707) 5.582 4.174 ( 2.397 -5.220 0.084) 5.745 4.322 ( -3.225 3.036 1.234) 4.598 4.427 ( 0.971 -10.770 -0.016) 10.813 4.617 ( 0.982 -8.567 -2.974) 9.121 4.628 ( 2.581 -10.974 1.456) 11.367 4.804 ( -0.073 -0.352 2.680) 2.704 4.927 ( 2.386 -9.670 -3.084) 10.426 5.111 ( -3.327 0.179 -0.313) 3.347 5.285 ( 3.000 -2.473 -1.151) 4.055 5.356 ( 0.558 3.808 1.500) 4.131 5.534 ( 0.074 -4.098 2.093) 4.602 5.561 ( -5.960 -2.870 -4.404) 7.948 5.746 ( -1.178 1.030 0.036) 1.565 5.855 ( 0.719 -8.995 -0.671) 9.049 6.119 ( -1.932 -0.196 -2.017) 2.800 6.293 ( 5.179 2.821 12.356) 13.691 6.406 ( 8.779 3.796 -2.058) 9.783 6.565 ( 2.673 -0.687 0.120) 2.762 6.755 ( -2.853 4.333 -1.614) 5.433 6.853 ( -3.817 -0.995 3.598) 5.339 7.011 ( -0.462 -4.369 -3.036) 5.341 7.097 ( -3.770 -3.651 -0.098) 5.249 7.208 ( -1.233 -2.327 -1.273) 2.925 7.302 ( -1.846 -5.970 -2.081) 6.587 7.379 ( 2.886 -4.965 -1.967) 6.070 7.529 ( -5.101 -4.821 -0.427) 7.032 7.763 ( 7.479 3.058 -0.621) 8.104 7.973 ( -4.076 -2.717 -0.025) 4.899 8.217 ( 4.825 1.107 4.571) 6.738 8.321 ( 3.264 3.193 0.167) 4.569 8.430 ( 0.196 2.421 0.574) 2.495 8.570 ( -4.773 -2.609 -2.693) 6.070 8.678 ( 4.002 -2.268 1.459) 4.826 8.803 ( -3.030 -2.487 0.158) 3.923 10.014 ( 0.606 6.987 -0.500) 7.031 10.155 ( -1.266 6.795 0.750) 6.952 10.528 ( -3.102 -0.008 -2.961) 4.289 10.672 ( 4.908 4.048 3.397) 7.212 11.269 ( -3.984 5.211 -0.477) 6.577 11.306 ( -5.027 7.757 -3.524) 9.892 11.437 ( 0.832 4.711 0.971) 4.881 11.732 ( -7.341 -4.452 -5.717) 10.315 11.801 ( 9.561 2.073 7.559) 12.363 12.025 ( -1.408 1.129 -3.719) 4.134 12.135 ( 0.088 -0.185 -0.173) 0.268 12.183 ( -4.588 -3.055 -3.968) 6.792 12.202 ( -0.180 -3.089 1.894) 3.628 12.566 ( 6.278 7.068 4.416) 10.434 13.076 ( -1.406 -2.781 -0.383) 3.140 13.238 ( 8.175 -0.514 5.908) 10.100 13.652 ( -1.294 -0.284 -1.029) 1.678 13.758 ( -0.359 -3.844 -0.580) 3.904 14.049 ( 0.516 -2.975 -3.293) 4.468 14.125 ( 2.709 1.074 1.173) 3.141 14.249 ( -10.175 -2.668 -4.368) 11.390 14.427 ( 1.008 0.065 0.980) 1.407 14.545 ( 3.233 2.299 1.314) 4.179 14.694 ( 0.582 -6.267 -0.188) 6.296 14.964 ( 2.156 -6.017 2.434) 6.839 15.091 ( -1.218 -1.956 -1.221) 2.608 16.329 ( -2.203 2.708 -0.814) 3.584 16.441 ( -0.055 0.642 0.620) 0.894 20.220 ( 0.499 0.436 1.220) 1.388 20.242 ( 0.214 0.621 -0.483) 0.815 20.333 ( -0.838 2.321 -0.899) 2.627 20.410 ( 0.955 -0.730 0.355) 1.253 24.453 ( 0.618 0.144 -0.891) 1.093 24.509 ( 1.142 -1.757 1.281) 2.456 24.694 ( -3.689 -0.286 -1.476) 3.983 24.745 ( -0.977 1.319 0.693) 1.782 26.086 ( 0.749 2.281 1.405) 2.782 26.115 ( -0.995 -0.091 -1.297) 1.637 26.490 ( 7.231 1.870 -0.858) 7.518 26.669 ( -5.100 -4.128 1.226) 6.675 26.987 ( -0.774 0.159 -0.527) 0.950 27.070 ( -0.433 -0.432 0.203) 0.644 27.266 ( 0.144 2.278 0.201) 2.291 27.698 ( 0.927 -0.081 -0.393) 1.010 28.234 ( 0.216 1.325 -1.333) 1.892 28.274 ( -0.317 -0.977 -0.884) 1.355 28.296 ( -2.759 -0.063 0.724) 2.853 28.529 ( 6.079 4.127 6.590) 9.870 28.677 ( -4.874 1.868 -4.156) 6.672 28.984 ( -0.389 0.613 -3.083) 3.168 29.195 ( -0.506 9.186 1.054) 9.260 29.742 ( 3.442 -9.176 1.419) 9.903 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.141 15.761 -0.759) 15.780 1.564 ( 0.216 -0.089 -0.196) 0.305 1.709 ( -1.113 24.625 -1.865) 24.720 1.957 ( 0.362 8.932 2.360) 9.246 1.994 ( -5.873 2.201 -1.643) 6.484 2.067 ( -1.885 1.260 1.724) 2.848 2.083 ( -3.030 2.789 -1.948) 4.556 2.491 ( -1.487 2.613 1.050) 3.184 2.794 ( 0.490 3.220 0.026) 3.258 2.921 ( 3.789 5.361 3.151) 7.282 2.977 ( 1.439 3.330 -4.416) 5.715 3.040 ( 3.203 1.240 -0.659) 3.498 3.058 ( -3.631 0.622 2.497) 4.450 3.104 ( -6.567 -1.388 -2.551) 7.181 3.319 ( -1.802 7.737 -1.822) 8.150 3.455 ( 2.868 2.315 0.346) 3.703 3.577 ( 7.676 1.930 3.660) 8.721 3.774 ( -4.072 -0.422 -1.531) 4.370 3.819 ( 0.592 3.361 0.910) 3.532 3.965 ( 1.306 6.706 2.400) 7.242 4.044 ( -1.654 8.352 1.426) 8.633 4.150 ( -4.187 -9.156 -2.821) 10.456 4.246 ( 0.707 -6.511 0.168) 6.551 4.343 ( -0.163 -5.103 -0.274) 5.113 4.658 ( 1.941 -6.926 1.106) 7.278 4.755 ( 0.780 -6.277 -1.560) 6.515 4.835 ( -0.457 -2.306 1.764) 2.939 4.878 ( 1.961 -10.897 -0.522) 11.084 5.116 ( 2.382 -4.630 0.151) 5.209 5.228 ( -0.064 4.863 2.606) 5.517 5.233 ( -0.609 -11.616 -2.919) 11.993 5.348 ( 2.321 -2.021 -2.084) 3.716 5.586 ( 2.769 -3.271 2.624) 5.025 5.660 ( -7.579 -6.393 -2.154) 10.146 5.746 ( -0.033 -2.775 0.346) 2.796 6.052 ( 0.308 0.336 2.612) 2.651 6.103 ( -1.693 -8.613 -4.512) 9.870 6.279 ( 0.314 -1.210 1.270) 1.782 6.385 ( 3.006 -0.021 0.965) 3.157 6.593 ( 1.844 0.203 -0.228) 1.870 6.734 ( 2.806 -1.842 -1.270) 3.589 6.858 ( -4.918 -2.380 2.314) 5.934 7.066 ( 0.247 -0.671 -0.129) 0.726 7.194 ( 0.195 -6.278 0.114) 6.282 7.296 ( 0.478 -6.650 0.184) 6.669 7.430 ( -1.909 -8.605 -0.905) 8.861 7.531 ( 4.119 -7.507 -0.986) 8.620 7.634 ( -2.785 -7.590 1.536) 8.229 7.750 ( 6.228 2.250 -2.291) 7.007 7.974 ( -4.581 -0.119 0.623) 4.625 8.168 ( -0.282 3.014 1.250) 3.275 8.180 ( -0.568 9.195 -2.001) 9.427 8.495 ( 6.212 -3.737 5.507) 9.104 8.565 ( -3.916 -2.641 -2.880) 5.532 8.778 ( 2.175 -2.349 1.734) 3.641 8.880 ( -1.992 -7.455 -1.029) 7.785 9.837 ( 0.200 11.076 -0.462) 11.087 9.977 ( -1.001 9.723 0.393) 9.782 10.493 ( -1.387 2.032 -1.087) 2.690 10.599 ( 2.378 6.115 1.623) 6.758 11.082 ( -2.253 10.260 -1.115) 10.563 11.162 ( -3.114 4.714 -1.448) 5.832 11.332 ( 0.354 6.204 0.642) 6.247 11.757 ( 4.757 7.117 3.754) 9.347 11.783 ( -3.874 -2.423 -2.747) 5.332 11.989 ( -2.719 -1.131 -4.030) 4.991 12.122 ( -0.271 0.923 0.194) 0.981 12.237 ( 2.534 -2.980 -2.419) 4.600 12.274 ( -3.619 -4.159 2.197) 5.935 12.420 ( 1.692 9.884 1.012) 10.079 13.120 ( -1.003 -1.220 -0.358) 1.619 13.330 ( 8.532 -3.990 6.452) 11.417 13.652 ( -1.842 -0.680 -2.019) 2.817 13.842 ( -0.424 -4.727 -0.383) 4.761 14.065 ( 2.888 3.122 0.511) 4.283 14.184 ( 1.918 -6.401 -2.354) 7.084 14.267 ( -8.255 -5.205 -1.553) 9.882 14.445 ( 0.520 -1.377 0.217) 1.488 14.528 ( 1.808 0.994 0.945) 2.269 14.837 ( 2.874 -7.160 0.639) 7.741 15.031 ( -4.780 -2.453 -2.257) 5.828 15.207 ( 2.674 -7.724 1.764) 8.362 16.252 ( -2.013 3.498 -0.735) 4.102 16.423 ( -0.292 1.161 0.434) 1.273 20.212 ( 1.228 2.110 2.013) 3.164 20.224 ( 1.457 0.943 0.397) 1.780 20.264 ( -2.461 3.040 -2.435) 4.607 20.431 ( 0.770 -0.798 0.266) 1.140 24.461 ( 0.723 -0.588 -0.505) 1.060 24.555 ( 1.494 -1.995 1.139) 2.740 24.673 ( -4.828 -0.278 -1.723) 5.134 24.724 ( -0.735 0.254 0.577) 0.968 26.030 ( 0.199 3.157 0.117) 3.165 26.118 ( -0.285 -0.236 0.089) 0.381 26.421 ( 2.492 6.490 0.193) 6.955 26.781 ( -0.281 -7.142 0.113) 7.149 26.994 ( -1.041 -1.185 -0.479) 1.649 27.072 ( -0.464 0.157 -0.004) 0.490 27.205 ( -0.122 3.809 0.339) 3.826 27.704 ( 0.975 -0.178 -0.472) 1.098 28.117 ( -0.942 7.256 -0.692) 7.349 28.321 ( 1.141 2.836 1.852) 3.574 28.331 ( -0.538 -3.950 -0.522) 4.020 28.419 ( 1.228 4.165 1.734) 4.676 28.642 ( -2.410 1.875 -3.030) 4.301 28.857 ( 0.424 9.615 0.015) 9.624 29.137 ( -0.535 -2.804 -0.037) 2.855 29.921 ( 2.907 -7.056 1.212) 7.727 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.000 21.004 -0.000) 21.004 1.159 ( -0.000 29.162 -0.000) 29.162 1.570 ( -0.000 1.095 -0.000) 1.095 1.807 ( -0.000 24.343 -0.000) 24.343 1.829 ( -0.000 3.693 -0.000) 3.693 2.010 ( 0.000 -3.426 0.000) 3.426 2.098 ( 0.000 -0.931 0.000) 0.931 2.483 ( 0.000 -1.441 0.000) 1.441 2.558 ( -0.000 12.549 -0.000) 12.549 2.884 ( -0.000 2.790 -0.000) 2.790 2.905 ( -0.000 5.431 -0.000) 5.431 2.942 ( -0.000 1.725 -0.000) 1.725 3.013 ( -0.000 0.455 -0.000) 0.455 3.170 ( 0.000 -4.433 0.000) 4.433 3.293 ( 0.000 -0.195 0.000) 0.195 3.428 ( -0.000 1.071 -0.000) 1.071 3.555 ( -0.000 1.900 -0.000) 1.900 3.729 ( -0.000 3.592 -0.000) 3.592 3.748 ( -0.000 4.830 -0.000) 4.830 3.919 ( -0.000 2.735 -0.000) 2.735 3.962 ( 0.000 -6.388 0.000) 6.388 4.232 ( 0.000 -1.278 0.000) 1.278 4.383 ( -0.000 0.967 -0.000) 0.967 4.396 ( -0.000 0.098 -0.000) 0.098 4.643 ( 0.000 -2.082 0.000) 2.082 4.885 ( 0.000 -2.923 0.000) 2.923 4.947 ( 0.000 -9.449 0.000) 9.449 5.057 ( 0.000 -1.902 0.000) 1.902 5.129 ( 0.000 -3.159 0.000) 3.159 5.190 ( 0.000 -1.755 0.000) 1.755 5.356 ( 0.000 -0.755 0.000) 0.755 5.521 ( 0.000 -11.948 0.000) 11.948 5.628 ( 0.000 -0.497 0.000) 0.497 5.781 ( 0.000 -0.023 0.000) 0.023 5.801 ( 0.000 -6.393 0.000) 6.393 6.016 ( 0.000 -0.738 0.000) 0.738 6.223 ( 0.000 -5.610 0.000) 5.610 6.389 ( 0.000 -5.610 0.000) 5.610 6.431 ( 0.000 -2.391 0.000) 2.391 6.582 ( -0.000 1.347 -0.000) 1.347 6.841 ( 0.000 -7.388 0.000) 7.388 6.894 ( 0.000 -3.302 0.000) 3.302 7.074 ( 0.000 -1.149 0.000) 1.149 7.259 ( -0.000 1.703 -0.000) 1.703 7.393 ( 0.000 -3.936 0.000) 3.936 7.588 ( 0.000 -5.982 0.000) 5.982 7.670 ( -0.000 2.523 -0.000) 2.523 7.764 ( 0.000 -12.794 0.000) 12.794 7.800 ( 0.000 -2.270 0.000) 2.270 7.938 ( 0.000 -0.127 0.000) 0.127 8.036 ( -0.000 1.118 -0.000) 1.118 8.214 ( 0.000 -8.118 0.000) 8.118 8.594 ( 0.000 -4.401 0.000) 4.401 8.646 ( 0.000 -5.908 0.000) 5.908 8.810 ( 0.000 -1.002 0.000) 1.002 9.011 ( 0.000 -5.259 0.000) 5.259 9.594 ( -0.000 13.426 -0.000) 13.426 9.797 ( -0.000 7.774 -0.000) 7.774 10.436 ( -0.000 3.124 -0.000) 3.124 10.470 ( -0.000 7.260 -0.000) 7.260 10.874 ( -0.000 10.092 -0.000) 10.092 11.079 ( -0.000 2.727 -0.000) 2.727 11.214 ( -0.000 5.596 -0.000) 5.596 11.566 ( -0.000 12.073 -0.000) 12.073 11.800 ( 0.000 -0.461 0.000) 0.461 12.047 ( 0.000 -4.689 0.000) 4.689 12.106 ( -0.000 1.028 -0.000) 1.028 12.200 ( -0.000 9.835 -0.000) 9.835 12.313 ( 0.000 -2.173 0.000) 2.173 12.339 ( 0.000 -3.073 0.000) 3.073 13.097 ( -0.000 2.559 -0.000) 2.559 13.475 ( 0.000 -6.407 0.000) 6.407 13.657 ( 0.000 -0.640 0.000) 0.640 13.928 ( 0.000 -3.933 0.000) 3.933 14.011 ( -0.000 2.698 -0.000) 2.698 14.342 ( 0.000 -5.779 0.000) 5.779 14.347 ( 0.000 -7.838 0.000) 7.838 14.483 ( 0.000 -2.217 0.000) 2.217 14.526 ( 0.000 -0.047 0.000) 0.047 14.997 ( 0.000 -7.015 0.000) 7.015 15.043 ( 0.000 -1.660 0.000) 1.660 15.360 ( 0.000 -6.404 0.000) 6.404 16.184 ( -0.000 2.380 -0.000) 2.380 16.386 ( -0.000 2.736 -0.000) 2.736 20.135 ( -0.000 5.677 -0.000) 5.677 20.188 ( -0.000 2.038 -0.000) 2.038 20.250 ( 0.000 -1.142 0.000) 1.142 20.447 ( 0.000 -0.557 0.000) 0.557 24.481 ( 0.000 -1.086 0.000) 1.086 24.598 ( 0.000 -1.480 0.000) 1.480 24.655 ( 0.000 -0.129 0.000) 0.129 24.724 ( 0.000 -0.336 0.000) 0.336 25.974 ( -0.000 2.523 -0.000) 2.523 26.117 ( -0.000 0.221 -0.000) 0.221 26.304 ( -0.000 5.763 -0.000) 5.763 26.901 ( 0.000 -4.691 0.000) 4.691 27.013 ( 0.000 -0.905 0.000) 0.905 27.053 ( -0.000 1.602 -0.000) 1.602 27.124 ( -0.000 4.198 -0.000) 4.198 27.716 ( 0.000 -0.543 0.000) 0.543 27.984 ( -0.000 5.317 -0.000) 5.317 28.139 ( -0.000 10.675 -0.000) 10.675 28.416 ( 0.000 -4.399 0.000) 4.399 28.459 ( -0.000 13.809 -0.000) 13.809 28.464 ( 0.000 -3.979 0.000) 3.979 28.788 ( 0.000 -1.116 0.000) 1.116 29.218 ( 0.000 -4.776 0.000) 4.776 30.050 ( 0.000 -5.001 0.000) 5.001 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 23.237 -0.000 -8.698) 24.811 0.684 ( 26.547 -0.000 7.452) 27.574 1.307 ( 45.607 -0.000 29.179) 54.143 1.627 ( 1.680 -0.000 -2.861) 3.318 1.942 ( -5.847 0.000 -13.438) 14.655 1.967 ( 7.916 -0.000 1.114) 7.994 2.176 ( -1.083 0.000 -8.564) 8.632 2.516 ( -6.057 0.000 -6.603) 8.961 2.573 ( 8.152 -0.000 2.801) 8.619 2.722 ( 9.922 -0.000 9.081) 13.451 2.766 ( -12.648 0.000 7.848) 14.885 3.021 ( 8.324 -0.000 -1.803) 8.517 3.035 ( -4.154 0.000 -0.981) 4.269 3.132 ( 2.509 -0.000 4.957) 5.555 3.258 ( -4.759 0.000 -14.479) 15.241 3.340 ( 7.581 -0.000 7.032) 10.341 3.553 ( -2.588 0.000 -8.025) 8.432 3.595 ( 0.990 -0.000 -3.915) 4.039 3.796 ( 2.776 -0.000 5.637) 6.283 3.910 ( -10.348 0.000 -1.738) 10.493 4.070 ( -5.237 0.000 -6.727) 8.525 4.162 ( 7.145 -0.000 2.277) 7.499 4.197 ( -2.420 0.000 -0.565) 2.485 4.401 ( 5.983 -0.000 4.627) 7.563 4.789 ( -6.643 0.000 -6.065) 8.996 4.860 ( -10.210 0.000 -3.317) 10.735 5.170 ( 6.539 -0.000 -1.990) 6.835 5.201 ( 3.714 -0.000 1.594) 4.042 5.215 ( 6.402 -0.000 8.520) 10.657 5.332 ( -13.714 0.000 3.632) 14.186 5.396 ( -0.869 0.000 0.117) 0.877 5.515 ( -0.467 0.000 -11.227) 11.237 5.588 ( 1.375 -0.000 -3.757) 4.001 5.727 ( 2.386 -0.000 -5.191) 5.713 5.790 ( 1.012 -0.000 -6.483) 6.562 6.234 ( -1.215 0.000 7.574) 7.671 6.300 ( -5.058 0.000 3.553) 6.182 6.408 ( -1.289 0.000 3.819) 4.030 6.564 ( 0.434 -0.000 7.232) 7.245 6.866 ( -15.000 0.000 -19.935) 24.948 6.948 ( -0.589 0.000 -2.134) 2.214 6.965 ( -8.482 0.000 7.217) 11.137 7.125 ( -4.399 0.000 -8.459) 9.534 7.195 ( 2.074 -0.000 1.951) 2.847 7.383 ( -1.126 0.000 -11.333) 11.389 7.417 ( 7.287 -0.000 1.910) 7.533 7.472 ( -2.573 0.000 -0.574) 2.637 7.665 ( 3.187 -0.000 6.309) 7.068 7.807 ( -2.822 0.000 -0.377) 2.847 7.944 ( 4.515 -0.000 6.386) 7.821 8.324 ( 5.796 -0.000 -0.793) 5.850 8.574 ( -3.501 0.000 -6.524) 7.404 8.695 ( 6.179 -0.000 -0.806) 6.231 8.737 ( -4.934 0.000 -4.464) 6.654 8.768 ( 4.466 -0.000 2.990) 5.374 8.903 ( 7.503 -0.000 1.833) 7.724 9.388 ( 11.343 -0.000 6.885) 13.269 9.568 ( -5.639 0.000 -7.071) 9.044 10.271 ( -1.362 0.000 -2.183) 2.573 10.410 ( 4.907 -0.000 2.843) 5.671 10.709 ( 7.340 -0.000 4.884) 8.816 11.068 ( 0.332 -0.000 -1.660) 1.693 11.091 ( 3.376 -0.000 -0.693) 3.446 11.227 ( -1.002 0.000 -0.256) 1.034 11.719 ( -11.810 0.000 -6.350) 13.409 12.079 ( -0.604 0.000 0.258) 0.656 12.099 ( -1.355 0.000 -0.053) 1.356 12.173 ( 1.025 -0.000 7.152) 7.225 12.297 ( -4.936 0.000 -1.712) 5.225 12.357 ( 2.978 -0.000 12.339) 12.694 13.154 ( -22.274 0.000 -13.459) 26.025 13.721 ( -0.702 0.000 1.337) 1.511 13.884 ( -2.933 0.000 -0.332) 2.952 14.025 ( 0.627 -0.000 3.988) 4.037 14.337 ( -5.751 0.000 -2.131) 6.133 14.385 ( 1.568 -0.000 -11.381) 11.489 14.490 ( -1.523 0.000 2.119) 2.609 14.655 ( 3.331 -0.000 4.616) 5.692 14.724 ( -0.879 0.000 39.615) 39.625 14.842 ( 7.702 -0.000 3.125) 8.312 15.356 ( 11.798 -0.000 2.663) 12.095 15.393 ( -6.587 0.000 -4.410) 7.927 16.241 ( 1.057 -0.000 -0.127) 1.064 16.337 ( 0.372 -0.000 6.623) 6.633 19.884 ( 2.705 -0.000 0.859) 2.838 19.974 ( -0.847 0.000 -0.982) 1.297 20.331 ( 3.074 -0.000 2.087) 3.715 20.420 ( -2.710 0.000 -1.330) 3.018 24.495 ( 0.632 -0.000 1.164) 1.325 24.639 ( 1.509 -0.000 -0.091) 1.512 24.758 ( 1.639 -0.000 -2.679) 3.141 25.372 ( -3.203 0.000 17.977) 18.260 25.923 ( -0.051 0.000 0.778) 0.780 26.170 ( -0.063 0.000 -3.540) 3.540 26.279 ( 2.785 -0.000 -30.793) 30.919 26.875 ( -6.314 0.000 4.531) 7.771 27.019 ( 0.823 -0.000 0.577) 1.005 27.030 ( 1.155 -0.000 0.288) 1.190 27.159 ( -0.519 0.000 -3.616) 3.653 27.629 ( -4.656 0.000 9.895) 10.936 27.869 ( 0.187 -0.000 22.154) 22.155 27.903 ( -1.541 0.000 -0.248) 1.560 28.083 ( -1.100 0.000 -2.082) 2.355 28.220 ( -5.073 0.000 0.379) 5.087 28.585 ( 1.795 -0.000 0.965) 2.038 28.755 ( 0.647 -0.000 -3.873) 3.927 29.449 ( 6.712 -0.000 5.428) 8.633 29.887 ( 1.611 -0.000 -20.772) 20.834 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 14.053 -10.421 2.279) 17.644 1.156 ( 19.200 -20.121 3.510) 28.032 1.568 ( 6.737 0.496 4.241) 7.976 1.702 ( 9.576 -3.810 9.643) 14.114 1.916 ( 8.692 -5.161 -5.849) 11.679 2.118 ( 4.180 -5.408 0.889) 6.892 2.200 ( 5.718 -5.300 -8.912) 11.841 2.477 ( -3.146 0.094 -6.694) 7.397 2.630 ( 5.021 -2.086 4.705) 7.190 2.738 ( 6.257 1.357 9.113) 11.137 2.782 ( -3.492 -3.301 5.069) 6.985 2.969 ( 2.154 0.411 -3.428) 4.070 3.053 ( -5.509 0.767 3.792) 6.731 3.202 ( 0.136 -3.873 -0.868) 3.972 3.272 ( 4.187 -1.848 -7.332) 8.643 3.414 ( 7.567 -1.741 4.216) 8.836 3.489 ( -5.310 4.915 -6.549) 9.759 3.534 ( 0.226 3.154 -6.229) 6.986 3.769 ( -0.793 1.001 5.296) 5.448 3.874 ( -4.447 -0.768 -1.019) 4.626 4.059 ( 2.619 -0.617 -3.105) 4.108 4.198 ( -2.257 -1.521 -1.607) 3.160 4.261 ( 3.709 -5.578 1.156) 6.798 4.462 ( 3.279 -1.455 4.441) 5.709 4.741 ( -9.210 1.845 -6.973) 11.699 4.815 ( -9.209 -3.981 -3.445) 10.607 5.047 ( 4.529 10.696 -3.774) 12.213 5.201 ( -4.215 7.017 6.729) 10.597 5.219 ( 0.982 4.155 1.456) 4.511 5.271 ( -0.293 2.497 6.855) 7.302 5.345 ( -0.201 0.271 0.205) 0.395 5.495 ( 2.866 0.879 -2.918) 4.183 5.604 ( -3.262 -0.291 -6.318) 7.116 5.728 ( 0.865 2.421 -4.880) 5.516 5.852 ( 2.415 -5.676 -7.097) 9.403 6.186 ( 0.226 2.347 9.127) 9.426 6.302 ( -5.538 -1.314 0.603) 5.723 6.384 ( -1.790 3.163 4.295) 5.626 6.561 ( -1.073 0.453 5.289) 5.416 6.608 ( -0.867 11.681 -4.678) 12.613 6.827 ( -7.229 6.456 7.427) 12.210 6.937 ( -6.918 -1.795 -10.184) 12.441 7.124 ( 2.424 -1.344 0.585) 2.832 7.279 ( 3.459 4.158 0.407) 5.424 7.372 ( -9.021 -1.483 -1.397) 9.249 7.386 ( -4.463 -3.014 -1.570) 5.610 7.581 ( -1.913 0.016 2.165) 2.889 7.687 ( -2.204 -3.967 -5.201) 6.903 7.800 ( -0.070 1.072 0.519) 1.193 7.971 ( 6.064 0.698 5.827) 8.439 8.221 ( 2.630 10.518 -1.003) 10.889 8.514 ( -1.267 2.608 -4.581) 5.421 8.609 ( 3.493 6.552 -0.538) 7.445 8.758 ( 3.499 5.558 1.564) 6.751 8.848 ( -0.266 -5.556 -3.717) 6.690 8.891 ( 4.128 3.058 -0.900) 5.216 9.508 ( 7.768 -5.481 4.063) 10.339 9.623 ( -3.237 -8.049 -3.466) 9.342 10.292 ( -2.254 -2.977 -3.171) 4.899 10.482 ( 4.790 -3.778 2.899) 6.754 10.848 ( 9.199 -8.021 5.555) 13.409 11.091 ( 0.715 -2.689 -1.510) 3.166 11.147 ( 3.975 -2.730 0.544) 4.853 11.290 ( -2.388 -6.920 -1.441) 7.461 11.703 ( -12.262 -5.662 -7.011) 15.217 12.055 ( -1.232 1.468 0.922) 2.126 12.092 ( 1.532 -0.150 0.402) 1.591 12.178 ( -3.598 1.076 1.567) 4.069 12.239 ( -0.056 -0.923 2.292) 2.472 12.460 ( -2.330 -4.885 5.905) 8.010 13.015 ( -16.910 0.693 -10.160) 19.740 13.711 ( -0.600 0.650 0.500) 1.016 13.826 ( 6.340 12.072 5.914) 14.863 13.971 ( 4.842 12.185 0.965) 13.147 14.027 ( 1.487 6.030 4.490) 7.664 14.352 ( -1.181 4.140 -3.173) 5.348 14.485 ( -0.168 0.867 -2.643) 2.787 14.544 ( 1.690 6.969 11.489) 13.543 14.657 ( 3.212 1.750 4.488) 5.790 14.934 ( 1.339 1.672 0.605) 2.226 15.265 ( -7.853 6.352 -8.268) 13.053 15.474 ( 8.423 0.062 8.286) 11.815 16.266 ( 3.566 -1.891 1.011) 4.161 16.362 ( 0.614 -2.062 1.597) 2.679 19.961 ( -1.106 -4.607 -1.844) 5.084 20.040 ( -0.635 -6.016 0.811) 6.103 20.343 ( 3.051 0.693 2.202) 3.826 20.397 ( -3.316 0.533 -1.490) 3.674 24.490 ( 0.791 0.888 1.214) 1.700 24.632 ( 1.606 1.662 -0.364) 2.340 24.760 ( 1.447 0.632 -2.613) 3.053 25.193 ( 7.170 12.619 7.932) 16.540 25.934 ( -0.002 -1.113 0.967) 1.474 26.172 ( 2.944 3.206 -8.333) 9.401 26.193 ( -0.686 0.090 -5.764) 5.806 26.831 ( -6.615 0.944 3.543) 7.563 27.037 ( 1.090 -1.477 0.579) 1.925 27.092 ( 2.290 -1.536 0.199) 2.765 27.134 ( 3.030 -1.483 -2.066) 3.956 27.625 ( -5.465 -0.792 5.200) 7.585 27.915 ( -1.333 -4.361 3.106) 5.518 27.931 ( 0.907 -3.804 0.265) 3.920 28.180 ( -0.928 -10.772 1.386) 10.901 28.343 ( -7.867 -8.303 1.531) 11.540 28.557 ( 1.734 3.452 0.080) 3.864 28.788 ( -0.933 -2.085 -1.042) 2.511 29.418 ( 5.799 6.549 3.443) 9.401 29.872 ( -3.610 1.628 -10.817) 11.519 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 2.971 -14.928 2.459) 15.418 1.502 ( -3.514 2.540 -2.157) 4.842 1.649 ( 13.725 -18.753 4.958) 23.762 1.853 ( 6.322 -9.543 3.427) 11.950 2.115 ( 6.482 -5.865 -0.044) 8.742 2.192 ( 6.888 -2.096 -1.756) 7.411 2.374 ( 12.165 -1.030 -0.363) 12.214 2.494 ( -0.351 -4.361 -2.401) 4.990 2.680 ( 3.509 2.278 0.283) 4.193 2.786 ( -0.517 -5.227 0.749) 5.305 2.822 ( -4.871 -3.060 6.789) 8.898 2.988 ( -8.711 0.798 -0.443) 8.758 3.088 ( 7.362 -5.791 0.143) 9.368 3.239 ( -3.585 -2.141 -0.831) 4.258 3.333 ( 2.387 4.164 -6.554) 8.124 3.338 ( 2.754 -0.403 2.480) 3.728 3.465 ( 4.341 2.653 1.633) 5.343 3.518 ( -3.893 -4.721 -9.970) 11.698 3.819 ( 1.358 -2.767 6.008) 6.753 3.899 ( -0.408 -5.869 -1.172) 5.999 4.091 ( 6.064 1.049 -0.166) 6.156 4.215 ( -0.354 -1.038 -2.137) 2.402 4.412 ( 3.030 -6.825 1.603) 7.637 4.461 ( 0.659 3.351 2.777) 4.402 4.631 ( -7.700 2.460 -6.127) 10.143 4.819 ( -0.733 6.110 0.999) 6.234 4.879 ( -3.319 5.427 -2.974) 7.022 5.000 ( -11.633 8.437 3.393) 14.766 5.043 ( 2.139 6.990 -0.591) 7.334 5.214 ( 1.756 5.745 8.910) 10.746 5.316 ( -1.163 4.630 -4.122) 6.307 5.457 ( 1.780 4.877 0.784) 5.250 5.580 ( -1.253 1.590 -4.906) 5.308 5.715 ( 3.336 -1.629 -0.105) 3.714 5.905 ( -4.082 0.526 -9.558) 10.407 6.151 ( -4.816 4.440 -0.213) 6.554 6.236 ( -6.720 7.216 -1.391) 9.958 6.263 ( -0.412 0.002 6.714) 6.727 6.469 ( 9.922 5.744 6.355) 13.108 6.564 ( -0.219 -0.175 3.167) 3.179 6.691 ( -4.067 2.799 3.749) 6.199 6.931 ( -1.937 -0.688 -7.762) 8.029 7.140 ( -0.605 0.455 -0.395) 0.854 7.240 ( -1.701 4.957 -1.019) 5.339 7.284 ( 1.357 -1.780 3.683) 4.309 7.459 ( -2.506 0.426 -0.505) 2.592 7.506 ( -4.470 1.606 2.503) 5.369 7.642 ( -3.542 4.834 1.289) 6.130 7.813 ( 0.734 -0.056 -5.448) 5.498 7.894 ( -1.865 8.144 -2.762) 8.800 8.104 ( 0.239 0.206 2.410) 2.430 8.457 ( 8.060 10.433 1.775) 13.302 8.504 ( -1.231 3.478 0.505) 3.724 8.629 ( 3.515 4.022 -0.514) 5.366 8.844 ( 1.162 3.242 -1.737) 3.857 8.926 ( -1.442 -2.247 -3.609) 4.490 9.688 ( 4.449 -8.795 1.293) 9.941 9.802 ( -0.579 -10.659 0.259) 10.678 10.341 ( -3.431 -3.571 -4.233) 6.515 10.598 ( 5.247 -4.466 3.633) 7.789 11.085 ( 8.256 -8.788 2.605) 12.336 11.187 ( 1.871 -6.941 1.732) 7.394 11.253 ( 5.765 -5.195 2.004) 8.015 11.416 ( -4.538 -7.016 -3.272) 8.974 11.764 ( -11.022 -7.503 -7.186) 15.146 12.020 ( -3.542 0.650 0.013) 3.601 12.115 ( -1.374 -0.258 -1.331) 1.930 12.129 ( -2.427 0.250 -2.115) 3.229 12.271 ( -1.428 -1.053 3.369) 3.808 12.516 ( 2.594 -1.770 6.832) 7.519 12.943 ( -8.980 -1.710 -5.243) 10.538 13.525 ( 15.741 18.427 5.910) 24.945 13.691 ( -0.557 1.083 0.098) 1.222 13.903 ( -0.849 1.491 -2.944) 3.408 13.978 ( -2.187 0.795 5.383) 5.864 14.252 ( 0.023 4.938 0.654) 4.981 14.403 ( -2.750 5.606 -5.765) 8.498 14.476 ( 0.387 2.010 5.631) 5.991 14.634 ( 3.824 2.898 3.959) 6.220 14.846 ( -3.473 5.710 -4.267) 7.929 15.073 ( -6.597 7.348 -6.720) 11.945 15.464 ( 7.943 5.665 7.842) 12.517 16.340 ( 3.897 -2.539 1.150) 4.792 16.412 ( 0.885 -2.248 -0.692) 2.513 20.049 ( -1.578 -5.254 -2.243) 5.927 20.147 ( 0.414 -4.703 0.892) 4.805 20.345 ( 1.362 0.712 1.225) 1.965 20.364 ( -2.738 0.382 -0.611) 2.831 24.476 ( 0.964 1.099 1.236) 1.915 24.596 ( 1.367 2.780 -0.774) 3.194 24.750 ( 0.720 0.951 -2.209) 2.511 25.045 ( 7.778 8.046 3.762) 11.807 25.967 ( -0.007 -2.185 0.887) 2.358 26.131 ( -0.349 0.590 -3.079) 3.154 26.222 ( -1.528 -2.232 -1.898) 3.304 26.767 ( -5.273 1.704 1.042) 5.639 27.090 ( 1.116 -3.115 0.296) 3.322 27.099 ( 2.409 0.791 0.591) 2.603 27.225 ( 5.794 -2.265 -0.564) 6.246 27.589 ( -6.571 0.307 2.640) 7.088 28.036 ( -2.363 -8.775 -2.832) 9.519 28.062 ( 3.754 -7.357 1.517) 8.398 28.390 ( -2.616 -2.745 -0.932) 3.905 28.440 ( 0.427 -5.343 4.275) 6.856 28.519 ( 1.047 -6.432 -0.067) 6.517 28.801 ( -1.070 0.045 -0.123) 1.078 29.289 ( 2.260 8.631 1.079) 8.987 29.780 ( -6.353 3.767 -5.147) 9.002 ======================= Grid point 26 (19/141) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.269 -13.281 -0.741) 13.304 1.467 ( -2.777 -1.924 -0.528) 3.420 2.029 ( 14.556 -7.967 5.414) 17.454 2.149 ( 5.508 -15.794 1.326) 16.779 2.194 ( 5.251 -1.236 -4.875) 7.271 2.304 ( 10.354 -1.280 2.496) 10.728 2.440 ( 6.517 -3.694 3.010) 8.073 2.553 ( -1.858 0.223 2.018) 2.752 2.703 ( 7.078 -2.662 -4.666) 8.885 2.794 ( -6.223 0.826 4.904) 7.966 2.919 ( -4.274 -1.787 0.662) 4.679 2.946 ( -8.935 -8.672 0.519) 12.463 3.083 ( -3.875 3.902 -5.524) 7.795 3.228 ( -1.166 4.045 -4.150) 5.911 3.283 ( -3.249 -2.598 -3.362) 5.349 3.396 ( -0.932 0.149 0.556) 1.096 3.521 ( 7.669 -6.518 7.111) 12.323 3.644 ( 0.899 -8.576 -7.848) 11.660 3.870 ( 0.155 -2.873 4.327) 5.196 3.998 ( -1.165 -0.142 -1.304) 1.754 4.092 ( 4.039 0.390 0.694) 4.117 4.217 ( 1.864 2.659 -0.810) 3.347 4.318 ( 0.222 10.426 -2.180) 10.654 4.469 ( 1.373 6.110 2.204) 6.639 4.565 ( -7.539 10.124 4.268) 13.325 4.668 ( 7.429 -4.017 -1.744) 8.624 4.734 ( -3.423 6.449 0.775) 7.342 4.791 ( -6.496 7.086 -3.749) 10.318 4.995 ( -1.216 14.568 7.473) 16.418 5.043 ( -3.524 -3.663 -1.148) 5.211 5.261 ( 1.739 -0.152 -5.730) 5.990 5.321 ( -1.608 7.107 3.778) 8.207 5.572 ( 1.560 -0.382 -1.224) 2.019 5.764 ( 1.244 -0.210 -0.917) 1.559 5.842 ( -8.387 -0.778 -11.627) 14.357 5.978 ( -3.816 8.389 0.101) 9.217 6.056 ( -1.954 7.797 1.082) 8.111 6.317 ( 2.353 -2.619 4.414) 5.647 6.432 ( 12.661 4.714 8.522) 15.973 6.576 ( 0.444 -0.224 2.557) 2.605 6.685 ( -2.587 -3.292 0.151) 4.189 6.944 ( 4.084 -0.465 -2.719) 4.929 7.105 ( 0.519 6.904 1.202) 7.027 7.136 ( -1.829 1.128 -2.354) 3.188 7.310 ( -2.457 7.645 2.536) 8.421 7.366 ( -2.152 -3.480 -1.341) 4.306 7.469 ( 0.711 3.946 -0.729) 4.075 7.576 ( -0.909 0.355 3.480) 3.614 7.661 ( -3.625 8.322 -3.441) 9.708 7.887 ( -6.708 -6.941 -3.343) 10.215 8.143 ( -3.159 -3.643 -2.017) 5.227 8.256 ( 2.480 11.375 -1.078) 11.692 8.408 ( 5.001 5.306 5.989) 9.436 8.660 ( 1.004 -0.583 -3.027) 3.242 8.787 ( 3.154 2.448 1.972) 4.453 8.922 ( -0.811 1.587 -1.868) 2.582 9.891 ( 3.453 -9.095 0.826) 9.763 10.003 ( -1.112 -9.791 0.744) 9.882 10.382 ( -3.806 -3.319 -4.280) 6.620 10.710 ( 5.932 -3.035 4.633) 8.116 11.234 ( -1.007 -5.370 -3.288) 6.376 11.395 ( 7.009 -6.394 3.434) 10.089 11.402 ( 6.922 -7.372 3.774) 10.793 11.496 ( -3.339 -4.830 -2.189) 6.266 11.822 ( -8.864 -3.123 -6.200) 11.259 11.971 ( -11.236 -1.364 -4.939) 12.349 12.089 ( -0.508 0.004 0.039) 0.510 12.151 ( 2.235 -0.674 -0.700) 2.437 12.241 ( -1.816 2.903 2.506) 4.243 12.601 ( 8.632 -2.601 8.247) 12.218 12.949 ( -4.318 -2.680 -2.385) 5.614 13.338 ( 9.781 9.323 2.971) 13.836 13.665 ( -0.773 1.042 -0.460) 1.376 13.834 ( 0.323 4.684 -0.613) 4.735 13.980 ( -2.547 -1.538 3.411) 4.526 14.182 ( 1.876 2.505 2.793) 4.195 14.269 ( -8.437 3.945 -8.124) 12.359 14.452 ( 1.664 0.982 3.734) 4.204 14.595 ( 3.062 3.208 2.769) 5.228 14.702 ( -6.837 4.489 -7.206) 10.901 14.919 ( -1.875 5.430 -2.188) 6.148 15.372 ( 5.843 8.052 5.295) 11.270 16.391 ( 1.714 -0.796 0.182) 1.899 16.454 ( 1.824 -1.122 -0.270) 2.158 20.136 ( -1.040 -4.363 -1.526) 4.738 20.222 ( 1.368 -2.020 0.748) 2.552 20.328 ( -3.037 -0.545 -1.351) 3.368 20.366 ( 0.944 -0.398 1.627) 1.923 24.463 ( 0.901 0.767 1.188) 1.677 24.546 ( 0.943 2.788 -0.942) 3.090 24.731 ( -0.297 1.001 -1.684) 1.981 24.950 ( 4.838 6.042 2.181) 8.042 26.015 ( -0.246 -2.514 0.046) 2.527 26.139 ( -0.135 -1.565 -0.313) 1.602 26.249 ( -2.882 -2.158 -0.492) 3.634 26.715 ( -2.923 0.950 -0.600) 3.132 27.092 ( 2.000 1.318 0.803) 2.526 27.164 ( 2.292 -2.745 0.425) 3.602 27.250 ( 4.405 2.862 -0.262) 5.259 27.570 ( -5.876 -2.787 0.982) 6.577 28.193 ( -1.382 -6.739 -2.284) 7.249 28.213 ( 1.037 -5.773 1.427) 6.037 28.367 ( 0.849 3.355 -2.816) 4.462 28.434 ( 2.325 -0.510 2.164) 3.217 28.785 ( -0.864 0.059 -1.620) 1.837 28.844 ( 3.501 -16.247 6.846) 17.974 29.140 ( -1.797 5.529 -2.521) 6.337 29.661 ( -6.069 4.248 -2.463) 7.807 ======================= Grid point 27 (20/141) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.159 -6.427 -0.482) 6.447 1.580 ( -0.148 -6.416 -0.147) 6.419 2.135 ( 12.681 3.598 -3.837) 13.729 2.215 ( 7.374 3.249 1.795) 8.256 2.341 ( 2.696 1.430 2.517) 3.956 2.420 ( 4.753 -2.285 1.000) 5.367 2.530 ( -2.568 -7.577 0.383) 8.009 2.675 ( 3.388 -8.319 6.869) 11.308 2.690 ( -7.957 2.141 2.895) 8.734 2.757 ( -3.290 0.544 -3.825) 5.074 2.862 ( -7.891 3.502 -4.147) 9.578 2.952 ( -0.996 0.505 -2.536) 2.771 3.124 ( -0.558 -6.180 1.547) 6.394 3.260 ( 1.092 -7.181 -2.509) 7.685 3.309 ( 0.133 -1.096 -1.655) 1.990 3.443 ( 0.020 -5.818 -0.572) 5.846 3.663 ( 2.172 -3.686 6.146) 7.489 3.813 ( 6.262 -2.970 -4.869) 8.470 3.897 ( -6.106 0.619 -0.487) 6.157 3.932 ( -0.313 0.362 2.530) 2.574 4.036 ( -1.689 10.257 -0.415) 10.404 4.136 ( 1.300 -2.219 -1.178) 2.829 4.224 ( 7.093 3.163 -6.196) 9.935 4.255 ( -0.487 10.759 6.856) 12.767 4.383 ( -2.860 6.136 3.597) 7.666 4.549 ( -6.609 7.706 -5.994) 11.789 4.592 ( -6.376 4.479 -0.312) 7.798 4.755 ( 0.530 7.073 3.434) 7.881 4.815 ( 2.609 -0.717 -0.849) 2.836 5.140 ( 0.364 -5.839 1.092) 5.952 5.233 ( -0.330 0.979 1.552) 1.864 5.303 ( -1.093 -2.831 -2.999) 4.266 5.559 ( 1.442 4.870 -1.257) 5.233 5.736 ( -2.829 1.919 -2.843) 4.447 5.754 ( -6.299 4.304 -2.555) 8.045 5.851 ( 1.172 3.741 -0.714) 3.985 6.002 ( 5.341 -2.234 3.449) 6.739 6.377 ( 1.582 -1.466 3.392) 4.019 6.459 ( 15.346 1.614 8.314) 17.528 6.572 ( 0.334 0.802 0.875) 1.233 6.744 ( -1.970 -3.738 -0.232) 4.232 6.938 ( -3.953 6.352 -3.136) 8.112 6.989 ( 1.368 0.304 1.424) 1.998 7.095 ( -5.247 2.719 -0.904) 5.979 7.163 ( -1.926 1.825 -5.415) 6.030 7.355 ( 2.514 5.640 0.640) 6.208 7.385 ( -1.152 4.223 -0.208) 4.382 7.515 ( -4.613 3.824 -2.451) 6.474 7.648 ( 0.626 -7.074 1.404) 7.239 8.012 ( 2.702 -3.057 2.981) 5.053 8.098 ( -4.137 0.416 -0.880) 4.250 8.207 ( -3.470 -5.810 -5.023) 8.428 8.372 ( 5.754 2.723 7.210) 9.618 8.601 ( -4.106 3.773 -7.156) 9.072 8.796 ( 3.410 0.840 3.408) 4.894 8.866 ( 1.609 3.938 0.430) 4.276 10.061 ( 3.332 -5.305 0.773) 6.312 10.149 ( -2.589 -6.091 0.481) 6.636 10.430 ( -3.025 -3.890 -3.517) 6.054 10.777 ( 5.121 0.224 4.120) 6.577 11.301 ( -2.760 -2.827 -2.848) 4.870 11.470 ( -0.548 -0.952 -1.356) 1.745 11.520 ( 1.749 -1.802 -0.095) 2.513 11.645 ( 4.910 -5.018 3.861) 8.012 11.756 ( -2.957 1.355 -1.634) 3.640 11.987 ( -11.254 -5.957 -6.595) 14.340 12.092 ( 3.064 1.055 2.246) 3.943 12.154 ( -0.265 3.088 -0.048) 3.099 12.182 ( 0.175 -0.201 -0.140) 0.301 12.692 ( 7.837 -0.536 7.004) 10.524 12.983 ( -2.095 -2.613 -1.431) 3.642 13.264 ( 5.405 3.364 2.248) 6.751 13.647 ( -1.306 0.094 -0.791) 1.530 13.749 ( 0.332 3.701 0.063) 3.716 13.991 ( 0.090 -0.148 2.258) 2.265 14.151 ( -5.839 1.423 -5.083) 7.871 14.187 ( -2.754 -1.312 -1.075) 3.235 14.460 ( 1.714 0.277 3.062) 3.520 14.562 ( 1.321 0.742 1.423) 2.079 14.609 ( -3.270 1.534 -5.034) 6.196 14.840 ( 0.184 1.831 0.145) 1.846 15.239 ( 2.806 8.013 2.322) 8.802 16.395 ( 0.075 0.751 -0.281) 0.805 16.471 ( 1.390 0.413 0.223) 1.467 20.202 ( -0.172 -2.791 -0.523) 2.845 20.237 ( 0.160 0.409 0.085) 0.448 20.342 ( -1.178 -1.677 -0.680) 2.159 20.381 ( 0.456 -0.669 0.933) 1.235 24.460 ( 0.569 0.072 0.898) 1.065 24.504 ( 0.732 1.922 -0.728) 2.182 24.707 ( -1.100 0.847 -1.118) 1.783 24.865 ( 1.942 4.850 1.160) 5.351 26.055 ( -0.490 -1.861 -0.264) 1.943 26.167 ( 1.114 0.061 0.209) 1.135 26.298 ( -2.328 -5.448 0.143) 5.926 26.688 ( -1.494 0.706 -0.627) 1.767 27.075 ( 1.450 1.404 0.719) 2.142 27.143 ( 3.194 6.244 0.083) 7.014 27.256 ( -0.350 -2.580 -0.222) 2.614 27.619 ( -2.341 -3.993 0.323) 4.640 28.224 ( -0.219 0.791 -0.083) 0.825 28.295 ( 1.130 1.258 2.499) 3.017 28.328 ( -2.723 -2.351 -4.858) 6.045 28.496 ( 4.127 -2.463 2.292) 5.325 28.776 ( 0.481 0.738 -1.207) 1.494 28.989 ( -0.845 2.187 3.625) 4.318 29.237 ( 1.703 -14.834 -1.900) 15.052 29.538 ( -4.415 5.111 -0.881) 6.811 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.868 0.983 -0.399) 1.371 1.675 ( 1.157 -4.121 0.148) 4.283 2.067 ( 7.643 8.759 -3.959) 12.280 2.145 ( -1.046 5.583 2.284) 6.122 2.243 ( -2.639 6.052 3.333) 7.395 2.388 ( 0.287 7.239 -0.231) 7.248 2.480 ( -3.990 11.435 -2.634) 12.394 2.687 ( -3.410 -6.345 0.309) 7.209 2.709 ( -0.721 2.110 -0.097) 2.232 2.816 ( 1.011 -5.809 3.192) 6.705 2.852 ( -1.660 -5.329 -0.260) 5.588 3.045 ( -0.021 -5.224 -3.193) 6.123 3.183 ( -0.486 2.158 0.201) 2.221 3.250 ( -0.052 8.770 1.793) 8.952 3.358 ( 2.362 -4.705 -1.292) 5.421 3.587 ( 7.720 -3.112 5.726) 10.103 3.701 ( -2.879 3.292 -1.885) 4.762 3.737 ( -3.446 -3.492 -1.031) 5.014 3.836 ( -4.823 4.992 -3.364) 7.714 3.913 ( -0.161 1.972 -0.512) 2.044 4.064 ( 3.791 -6.794 0.270) 7.785 4.092 ( -0.187 2.781 2.568) 3.790 4.218 ( 1.827 -3.037 0.097) 3.545 4.247 ( 4.244 -3.529 -2.218) 5.949 4.374 ( 2.884 -1.361 2.114) 3.826 4.459 ( -2.128 -4.133 -5.831) 7.457 4.498 ( -5.806 0.475 4.831) 7.568 4.731 ( -2.284 -6.261 -1.739) 6.888 4.821 ( 0.391 0.924 0.386) 1.075 5.196 ( 0.701 3.261 0.060) 3.336 5.247 ( 0.112 -1.835 0.775) 1.995 5.337 ( -0.293 -1.944 -0.439) 2.015 5.478 ( 0.683 -0.311 -0.218) 0.782 5.580 ( -3.343 5.598 -2.339) 6.927 5.762 ( 0.057 -0.301 -0.009) 0.307 5.794 ( 0.039 2.131 0.097) 2.134 6.094 ( 1.755 -2.529 0.727) 3.163 6.375 ( 1.232 2.432 3.969) 4.815 6.531 ( 8.143 2.041 2.738) 8.830 6.580 ( 10.393 -0.923 4.404) 11.326 6.790 ( -6.702 -0.744 1.140) 6.838 6.852 ( -1.601 1.319 -2.206) 3.028 6.883 ( -10.540 0.542 -6.085) 12.182 7.062 ( 0.670 0.284 -0.002) 0.728 7.185 ( 2.564 -2.245 -4.215) 5.420 7.251 ( -2.929 4.197 2.582) 5.732 7.335 ( 2.931 -0.934 0.250) 3.086 7.451 ( -4.458 -0.017 -1.614) 4.741 7.774 ( 0.491 -4.403 -0.409) 4.449 7.962 ( 1.001 3.179 0.246) 3.342 8.236 ( 7.500 -5.664 6.948) 11.688 8.331 ( -5.174 -5.370 -4.477) 8.698 8.375 ( 1.369 -4.956 3.220) 6.067 8.489 ( -4.498 4.708 -5.888) 8.778 8.769 ( 2.794 3.574 0.064) 4.537 8.797 ( -0.186 3.426 2.125) 4.036 10.107 ( 1.146 1.933 0.039) 2.248 10.212 ( -1.040 -0.825 0.565) 1.443 10.483 ( -1.755 -2.732 -1.978) 3.802 10.766 ( 2.725 2.995 2.045) 4.536 11.306 ( -1.926 0.896 -1.028) 2.360 11.428 ( -1.311 5.289 -0.901) 5.523 11.516 ( 0.750 2.684 0.251) 2.798 11.633 ( -4.333 -1.110 -2.842) 5.299 11.862 ( 10.808 -2.793 7.731) 13.579 12.004 ( -10.783 -1.871 -8.431) 13.815 12.093 ( 2.376 -0.929 2.511) 3.579 12.124 ( -0.543 -0.567 -0.738) 1.078 12.189 ( -0.033 -0.090 -0.107) 0.144 12.706 ( 4.357 3.417 3.496) 6.549 13.017 ( -1.404 -2.191 -0.850) 2.738 13.266 ( 3.960 -0.278 2.633) 4.763 13.642 ( -1.267 -0.183 -0.785) 1.502 13.712 ( 0.049 -0.159 -0.111) 0.200 14.000 ( 0.702 -1.140 -0.531) 1.440 14.122 ( -4.516 -1.883 -2.891) 5.683 14.196 ( -0.623 0.435 0.269) 0.806 14.445 ( 0.294 1.248 0.654) 1.439 14.590 ( 0.426 0.262 -0.725) 0.881 14.596 ( 0.436 -3.131 0.433) 3.190 14.865 ( 0.799 -4.186 0.831) 4.341 15.117 ( 0.303 4.778 0.183) 4.791 16.367 ( -0.525 1.939 -0.250) 2.025 16.459 ( 0.391 1.126 0.217) 1.212 20.228 ( -0.074 0.391 0.254) 0.472 20.240 ( 0.135 -1.021 -0.257) 1.061 20.355 ( -0.305 0.166 -0.265) 0.436 20.398 ( 0.242 -0.817 0.265) 0.893 24.461 ( 0.177 0.307 -0.082) 0.364 24.490 ( 0.698 -0.426 0.232) 0.850 24.684 ( -1.289 0.697 -0.652) 1.603 24.790 ( 0.220 3.396 0.467) 3.435 26.084 ( -0.163 -1.371 0.153) 1.389 26.145 ( 0.132 2.202 -0.168) 2.212 26.433 ( 1.088 -8.195 -0.106) 8.267 26.652 ( -1.559 2.592 0.075) 3.026 27.031 ( 0.898 4.322 0.052) 4.414 27.070 ( 0.051 0.702 0.112) 0.713 27.287 ( 0.008 -0.319 -0.018) 0.320 27.677 ( -0.284 -2.390 0.009) 2.407 28.215 ( -0.135 -0.514 -0.117) 0.544 28.271 ( 0.635 0.558 0.262) 0.885 28.326 ( -1.749 1.814 -1.271) 2.822 28.561 ( 2.609 -2.027 2.304) 4.027 28.735 ( -0.770 4.020 -0.900) 4.191 28.964 ( -0.810 -0.575 -0.452) 1.091 29.376 ( 0.228 7.929 -0.452) 7.945 29.540 ( 0.008 -12.481 0.544) 12.493 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.000 1.916 -0.000) 1.916 1.613 ( -0.000 11.263 -0.000) 11.263 1.991 ( -0.000 0.391 -0.000) 0.391 2.033 ( -0.000 4.329 -0.000) 4.329 2.148 ( -0.000 3.972 -0.000) 3.972 2.172 ( -0.000 15.711 -0.000) 15.711 2.190 ( -0.000 13.554 -0.000) 13.554 2.594 ( -0.000 7.715 -0.000) 7.715 2.794 ( 0.000 -3.353 0.000) 3.353 2.932 ( 0.000 -2.671 0.000) 2.671 2.954 ( 0.000 -6.989 0.000) 6.989 3.074 ( -0.000 2.114 -0.000) 2.114 3.092 ( -0.000 4.012 -0.000) 4.012 3.097 ( -0.000 4.432 -0.000) 4.432 3.435 ( 0.000 -0.254 0.000) 0.254 3.562 ( -0.000 7.618 -0.000) 7.618 3.644 ( -0.000 0.878 -0.000) 0.878 3.746 ( -0.000 1.307 -0.000) 1.307 3.863 ( -0.000 1.619 -0.000) 1.619 3.900 ( 0.000 -10.853 0.000) 10.853 4.121 ( 0.000 -2.763 0.000) 2.763 4.157 ( -0.000 1.881 -0.000) 1.881 4.208 ( -0.000 3.549 -0.000) 3.549 4.280 ( -0.000 3.595 -0.000) 3.595 4.437 ( 0.000 -11.950 0.000) 11.950 4.603 ( 0.000 -10.286 0.000) 10.286 4.673 ( 0.000 -11.682 0.000) 11.682 4.807 ( 0.000 -0.150 0.000) 0.150 4.930 ( 0.000 -13.995 0.000) 13.995 5.087 ( -0.000 2.666 -0.000) 2.666 5.307 ( 0.000 -3.405 0.000) 3.405 5.360 ( -0.000 3.314 -0.000) 3.314 5.525 ( 0.000 -1.686 0.000) 1.686 5.535 ( 0.000 -3.891 0.000) 3.891 5.738 ( -0.000 1.218 -0.000) 1.218 5.860 ( 0.000 -9.678 0.000) 9.678 6.104 ( -0.000 1.537 -0.000) 1.537 6.320 ( -0.000 3.294 -0.000) 3.294 6.468 ( -0.000 6.295 -0.000) 6.295 6.625 ( -0.000 2.095 -0.000) 2.095 6.746 ( -0.000 2.150 -0.000) 2.150 6.778 ( 0.000 -3.461 0.000) 3.461 7.022 ( 0.000 -9.613 0.000) 9.613 7.062 ( 0.000 -0.227 0.000) 0.227 7.198 ( 0.000 -1.712 0.000) 1.712 7.281 ( 0.000 -5.850 0.000) 5.850 7.447 ( 0.000 -7.937 0.000) 7.937 7.458 ( 0.000 -2.742 0.000) 2.742 7.817 ( -0.000 0.561 -0.000) 0.561 7.936 ( 0.000 -0.403 0.000) 0.403 8.270 ( -0.000 4.678 -0.000) 4.678 8.337 ( -0.000 5.874 -0.000) 5.874 8.411 ( 0.000 -4.521 0.000) 4.521 8.542 ( 0.000 -4.043 0.000) 4.043 8.728 ( 0.000 -2.317 0.000) 2.317 8.765 ( 0.000 -0.347 0.000) 0.347 10.019 ( -0.000 7.161 -0.000) 7.161 10.146 ( -0.000 6.962 -0.000) 6.962 10.506 ( 0.000 -0.221 0.000) 0.221 10.707 ( -0.000 4.065 -0.000) 4.065 11.244 ( -0.000 4.357 -0.000) 4.357 11.270 ( -0.000 9.394 -0.000) 9.394 11.443 ( -0.000 4.848 -0.000) 4.848 11.681 ( 0.000 -4.437 0.000) 4.437 11.909 ( -0.000 4.061 -0.000) 4.061 11.959 ( 0.000 -0.364 0.000) 0.364 12.135 ( -0.000 0.096 -0.000) 0.096 12.164 ( 0.000 -4.724 0.000) 4.724 12.201 ( 0.000 -1.818 0.000) 1.818 12.608 ( -0.000 7.819 -0.000) 7.819 13.066 ( 0.000 -3.247 0.000) 3.247 13.303 ( 0.000 -1.713 0.000) 1.713 13.639 ( 0.000 -0.141 0.000) 0.141 13.754 ( 0.000 -3.740 0.000) 3.740 14.064 ( 0.000 -5.093 0.000) 5.093 14.142 ( -0.000 1.644 -0.000) 1.644 14.168 ( 0.000 -1.420 0.000) 1.420 14.433 ( -0.000 0.009 -0.000) 0.009 14.567 ( -0.000 2.044 -0.000) 2.044 14.698 ( 0.000 -6.921 0.000) 6.921 14.973 ( 0.000 -4.301 0.000) 4.301 15.088 ( 0.000 -3.020 0.000) 3.020 16.314 ( -0.000 3.190 -0.000) 3.190 16.441 ( -0.000 0.845 -0.000) 0.845 20.224 ( 0.000 -0.083 0.000) 0.083 20.243 ( -0.000 0.714 -0.000) 0.714 20.327 ( -0.000 2.653 -0.000) 2.653 20.416 ( 0.000 -0.925 0.000) 0.925 24.457 ( 0.000 -0.005 0.000) 0.005 24.519 ( 0.000 -1.950 0.000) 1.950 24.666 ( -0.000 0.631 -0.000) 0.631 24.740 ( -0.000 1.655 -0.000) 1.655 26.093 ( -0.000 3.046 -0.000) 3.046 26.106 ( 0.000 -0.862 0.000) 0.862 26.557 ( -0.000 5.984 -0.000) 5.984 26.614 ( 0.000 -9.081 0.000) 9.081 26.983 ( -0.000 0.744 -0.000) 0.744 27.068 ( 0.000 -0.214 0.000) 0.214 27.267 ( -0.000 2.272 -0.000) 2.272 27.703 ( 0.000 -0.445 0.000) 0.445 28.244 ( -0.000 5.636 -0.000) 5.636 28.250 ( 0.000 -3.069 0.000) 3.069 28.291 ( 0.000 -2.283 0.000) 2.283 28.601 ( -0.000 8.847 -0.000) 8.847 28.613 ( 0.000 -2.123 0.000) 2.123 28.979 ( -0.000 0.264 -0.000) 0.264 29.192 ( -0.000 9.144 -0.000) 9.144 29.764 ( 0.000 -9.869 0.000) 9.869 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 16.246 -0.000 -7.371) 17.841 0.991 ( 22.826 -0.000 6.223) 23.659 1.632 ( -0.542 0.000 -3.740) 3.779 1.779 ( 23.499 -0.000 24.780) 34.151 1.899 ( 3.595 -0.000 -7.532) 8.346 2.027 ( 1.737 -0.000 -2.360) 2.930 2.165 ( 0.822 -0.000 -11.151) 11.181 2.431 ( -7.789 0.000 -10.335) 12.941 2.662 ( -4.284 0.000 13.567) 14.227 2.690 ( 10.618 -0.000 2.222) 10.848 2.842 ( 9.504 -0.000 6.896) 11.742 2.989 ( -2.833 0.000 3.104) 4.202 3.060 ( -1.318 0.000 2.878) 3.165 3.114 ( -4.857 0.000 -6.505) 8.118 3.317 ( 14.480 -0.000 -4.952) 15.303 3.447 ( 8.550 -0.000 5.943) 10.413 3.510 ( -3.121 0.000 -6.354) 7.079 3.597 ( -1.105 0.000 -5.742) 5.848 3.801 ( -6.510 0.000 -0.358) 6.520 3.821 ( 0.813 -0.000 3.003) 3.111 4.027 ( -0.705 0.000 -5.254) 5.301 4.165 ( -2.736 0.000 -0.028) 2.736 4.242 ( 5.395 -0.000 0.795) 5.453 4.463 ( 3.219 -0.000 4.188) 5.283 4.699 ( -6.644 0.000 -6.119) 9.033 4.709 ( -13.276 0.000 -5.684) 14.441 5.161 ( -13.313 0.000 0.945) 13.346 5.233 ( 0.545 -0.000 0.413) 0.683 5.262 ( 6.885 -0.000 2.041) 7.181 5.291 ( 4.628 -0.000 6.613) 8.071 5.375 ( -3.066 0.000 -3.757) 4.849 5.528 ( 5.001 -0.000 0.129) 5.003 5.587 ( -1.359 0.000 -3.936) 4.164 5.749 ( 2.756 -0.000 -4.442) 5.227 5.795 ( 0.499 -0.000 -4.782) 4.808 6.227 ( -1.578 0.000 5.222) 5.455 6.247 ( -3.694 0.000 3.000) 4.759 6.422 ( 3.144 -0.000 8.605) 9.161 6.570 ( -0.292 0.000 5.452) 5.460 6.642 ( -18.108 0.000 -11.775) 21.600 6.859 ( -9.624 0.000 -0.358) 9.631 6.919 ( -3.913 0.000 -4.166) 5.715 7.076 ( -2.547 0.000 -6.439) 6.924 7.231 ( 3.095 -0.000 2.722) 4.122 7.351 ( -2.784 0.000 -3.714) 4.641 7.446 ( -1.245 0.000 -2.557) 2.844 7.474 ( 1.893 -0.000 2.648) 3.255 7.717 ( 4.505 -0.000 3.055) 5.443 7.784 ( -1.110 0.000 0.078) 1.113 8.027 ( 7.935 -0.000 11.050) 13.604 8.389 ( 4.802 -0.000 -0.251) 4.809 8.515 ( -5.132 0.000 -9.200) 10.535 8.683 ( -3.246 0.000 -3.328) 4.648 8.786 ( 8.422 -0.000 0.341) 8.429 8.833 ( 5.565 -0.000 4.257) 7.006 8.994 ( 6.604 -0.000 1.250) 6.721 9.486 ( -6.618 0.000 -7.947) 10.342 9.520 ( 9.159 -0.000 5.915) 10.903 10.251 ( -1.640 0.000 -2.325) 2.845 10.469 ( 4.191 -0.000 2.663) 4.966 10.821 ( 10.351 -0.000 6.443) 12.192 11.072 ( 0.482 -0.000 -1.508) 1.583 11.125 ( 2.097 -0.000 -2.237) 3.066 11.222 ( 0.308 -0.000 1.257) 1.294 11.559 ( -13.266 0.000 -7.311) 15.147 12.061 ( -3.659 0.000 -1.164) 3.840 12.087 ( -0.576 0.000 -0.443) 0.726 12.190 ( 0.955 -0.000 4.744) 4.839 12.196 ( -9.525 0.000 -5.158) 10.832 12.402 ( 2.876 -0.000 7.343) 7.886 12.923 ( -13.523 0.000 -7.704) 15.564 13.714 ( -0.464 0.000 0.407) 0.617 13.845 ( -3.451 0.000 0.950) 3.579 14.036 ( 0.767 -0.000 3.849) 3.925 14.276 ( -4.090 0.000 -1.653) 4.412 14.393 ( 0.678 -0.000 -8.071) 8.100 14.492 ( 2.229 -0.000 1.249) 2.555 14.684 ( 1.294 -0.000 3.608) 3.833 14.732 ( -2.469 0.000 21.182) 21.325 14.939 ( 7.330 -0.000 2.228) 7.661 15.309 ( -6.247 0.000 -4.565) 7.738 15.486 ( 8.788 -0.000 2.834) 9.233 16.254 ( 0.995 -0.000 -0.296) 1.039 16.346 ( 0.384 -0.000 3.733) 3.753 19.920 ( 3.074 -0.000 1.031) 3.242 19.964 ( -0.613 0.000 -0.817) 1.022 20.369 ( 2.810 -0.000 1.926) 3.407 20.383 ( -3.135 0.000 -1.554) 3.499 24.505 ( 0.778 -0.000 1.086) 1.336 24.658 ( 1.633 -0.000 -0.091) 1.636 24.774 ( 1.394 -0.000 -2.655) 2.999 25.347 ( -2.676 0.000 9.152) 9.535 25.923 ( -0.056 0.000 0.774) 0.776 26.169 ( 0.458 -0.000 -3.740) 3.768 26.286 ( 1.767 -0.000 -16.608) 16.702 26.801 ( -6.242 0.000 4.029) 7.430 27.030 ( 0.930 -0.000 0.574) 1.093 27.042 ( 0.808 -0.000 0.974) 1.265 27.148 ( -0.710 0.000 -3.516) 3.587 27.582 ( -4.136 0.000 7.324) 8.411 27.888 ( 0.582 -0.000 9.629) 9.647 27.888 ( -0.899 0.000 0.006) 0.899 28.069 ( -0.981 0.000 -0.969) 1.379 28.156 ( -5.154 0.000 -0.103) 5.155 28.607 ( 1.656 -0.000 0.897) 1.883 28.764 ( 1.233 -0.000 -2.880) 3.133 29.530 ( 5.627 -0.000 4.668) 7.311 29.888 ( 0.893 -0.000 -10.887) 10.923 ======================= Grid point 35 (24/141) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 10.855 -3.755 0.882) 11.520 1.343 ( 10.860 -16.586 1.007) 19.850 1.572 ( -2.136 4.396 -3.029) 5.751 1.817 ( 8.759 -0.502 5.794) 10.514 2.022 ( 5.387 -5.703 3.471) 8.578 2.153 ( 1.736 -5.246 -0.809) 5.585 2.261 ( 4.762 -10.194 -6.182) 12.837 2.431 ( -4.361 -4.955 -11.228) 13.025 2.650 ( -0.159 -0.327 12.022) 12.028 2.779 ( 2.241 -2.061 1.388) 3.347 2.855 ( 6.340 7.284 4.976) 10.863 2.966 ( -1.162 -1.150 4.363) 4.659 3.040 ( 4.095 -2.200 -0.428) 4.668 3.174 ( -0.212 -5.095 -1.733) 5.386 3.371 ( 5.191 3.328 -1.716) 6.400 3.439 ( 2.308 4.247 -6.044) 7.739 3.476 ( 1.944 1.711 -1.674) 3.084 3.553 ( 2.189 2.215 -1.153) 3.321 3.768 ( 0.983 -2.056 4.236) 4.810 3.835 ( -1.746 -0.751 -0.858) 2.085 4.099 ( 3.155 -4.509 -2.092) 5.887 4.174 ( -1.075 -2.079 0.145) 2.345 4.297 ( 1.919 -3.565 -0.131) 4.051 4.485 ( -0.133 -0.252 3.614) 3.625 4.612 ( -10.587 1.207 -5.706) 12.088 4.723 ( -4.906 -5.758 -4.562) 8.834 5.030 ( -7.992 5.937 -2.959) 10.387 5.118 ( -3.491 9.647 2.890) 10.658 5.231 ( -0.141 6.672 1.217) 6.783 5.305 ( 2.331 2.683 10.045) 10.655 5.354 ( 0.936 0.043 -4.987) 5.075 5.551 ( 3.040 2.301 -0.200) 3.818 5.581 ( 2.717 -0.558 -3.406) 4.392 5.738 ( 1.728 1.834 -2.251) 3.379 5.859 ( -0.243 -3.884 -4.512) 5.959 6.198 ( -0.669 1.715 4.229) 4.613 6.239 ( -3.304 -0.730 1.566) 3.728 6.337 ( -7.538 8.615 -1.675) 11.569 6.545 ( -0.042 -0.232 5.631) 5.636 6.584 ( -1.246 0.257 1.108) 1.687 6.770 ( -3.737 6.639 1.105) 7.698 6.840 ( -7.333 -3.462 -5.734) 9.931 7.150 ( 1.373 -2.166 -1.048) 2.770 7.268 ( -5.987 -1.493 -1.891) 6.454 7.313 ( 1.084 0.439 -0.228) 1.192 7.343 ( -2.722 3.021 -0.281) 4.076 7.565 ( -0.974 -1.310 0.998) 1.914 7.680 ( 0.529 2.727 -0.054) 2.779 7.815 ( 2.023 -0.566 0.560) 2.174 8.062 ( 7.591 3.197 6.810) 10.687 8.245 ( 1.332 12.963 0.010) 13.031 8.473 ( -3.713 -0.556 -4.686) 6.004 8.661 ( 3.119 3.195 -0.025) 4.465 8.806 ( 4.173 5.451 2.511) 7.310 8.866 ( 3.498 -0.972 -1.919) 4.106 8.927 ( 1.797 6.208 -2.258) 6.846 9.556 ( -1.268 -8.543 -4.245) 9.624 9.622 ( 4.417 -5.729 4.672) 8.611 10.263 ( -1.946 -2.325 -2.765) 4.103 10.535 ( 3.408 -4.035 2.322) 5.770 10.979 ( 11.350 -7.892 6.072) 15.099 11.097 ( 0.634 -2.762 -0.123) 2.836 11.193 ( 3.049 -4.480 -1.278) 5.568 11.266 ( -1.194 -4.772 0.531) 4.948 11.542 ( -13.109 -6.213 -7.808) 16.475 12.004 ( -8.226 1.369 -3.518) 9.051 12.094 ( -2.381 -0.399 -1.451) 2.817 12.135 ( -0.165 0.476 -1.696) 1.769 12.227 ( -1.270 -2.188 3.580) 4.384 12.462 ( 1.411 -3.626 4.947) 6.294 12.862 ( -7.958 -0.963 -4.304) 9.098 13.706 ( -0.189 0.613 0.140) 0.657 13.838 ( -1.568 -0.522 1.865) 2.492 14.014 ( 1.281 4.313 3.896) 5.952 14.058 ( 2.345 16.278 0.352) 16.450 14.346 ( 0.256 4.096 -3.415) 5.339 14.501 ( 3.217 1.831 -3.350) 4.992 14.577 ( 1.396 9.234 14.183) 16.982 14.687 ( 1.767 1.009 3.215) 3.805 14.936 ( -1.779 4.991 -3.477) 6.338 15.180 ( -4.165 6.925 -5.285) 9.656 15.566 ( 5.521 -0.273 5.443) 7.758 16.298 ( 1.542 -3.267 0.073) 3.613 16.371 ( 0.708 -2.059 1.323) 2.548 19.956 ( 0.204 -2.966 -1.026) 3.145 20.041 ( 0.625 -5.918 0.806) 6.006 20.354 ( -3.157 0.926 -1.497) 3.614 20.378 ( 2.192 0.686 1.645) 2.825 24.501 ( 0.794 0.805 0.931) 1.465 24.651 ( 1.493 1.714 -0.212) 2.283 24.772 ( 0.909 0.833 -2.183) 2.507 25.248 ( 1.941 7.799 4.705) 9.313 25.936 ( 0.080 -1.199 0.884) 1.492 26.180 ( -0.594 1.009 -3.967) 4.137 26.197 ( 2.175 3.776 -5.851) 7.296 26.760 ( -5.373 0.856 2.691) 6.070 27.049 ( 0.715 -1.466 0.293) 1.657 27.117 ( 1.588 -1.104 1.045) 2.198 27.162 ( 2.024 -5.404 -2.906) 6.461 27.566 ( -4.609 0.240 4.459) 6.417 27.908 ( -0.361 -2.872 1.252) 3.153 27.947 ( 1.617 -5.862 0.495) 6.101 28.173 ( -0.468 -11.030 1.207) 11.105 28.254 ( -6.722 -9.279 0.472) 11.468 28.575 ( 1.118 3.716 0.325) 3.894 28.783 ( 0.066 -0.861 -1.255) 1.523 29.482 ( 4.136 7.630 2.622) 9.066 29.838 ( -1.171 4.451 -6.152) 7.683 ======================= Grid point 36 (25/141) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 1.087 -11.205 1.380) 11.342 1.462 ( -2.439 2.963 -1.657) 4.180 1.744 ( 3.059 -19.935 0.033) 20.168 1.992 ( 13.612 -8.119 7.528) 17.546 2.159 ( 1.372 -5.864 -1.120) 6.126 2.269 ( 4.988 -5.779 -2.720) 8.104 2.462 ( 3.429 -6.004 1.945) 7.182 2.519 ( 3.184 -2.885 -6.723) 7.979 2.701 ( -5.291 -6.132 2.740) 8.550 2.729 ( -2.470 4.518 0.157) 5.151 2.819 ( 2.676 -0.899 5.146) 5.869 2.895 ( -4.724 2.266 -1.432) 5.431 3.139 ( 0.643 4.599 -2.400) 5.227 3.196 ( -2.621 -2.460 0.777) 3.678 3.358 ( 1.865 7.079 -1.873) 7.557 3.393 ( 3.657 -1.581 2.076) 4.492 3.485 ( 0.500 -4.179 -5.381) 6.832 3.519 ( 3.563 -0.660 -0.144) 3.626 3.830 ( -0.395 -1.517 2.696) 3.119 3.921 ( 3.694 -6.978 0.801) 7.936 4.155 ( 4.211 1.876 0.629) 4.653 4.227 ( 2.649 -2.947 -1.276) 4.163 4.406 ( -3.476 -4.716 2.022) 6.198 4.472 ( -1.396 0.558 0.977) 1.793 4.567 ( -0.166 -2.732 -4.227) 5.036 4.801 ( -2.189 -0.847 0.288) 2.365 4.833 ( -2.807 11.940 -5.273) 13.350 4.869 ( -9.343 8.370 4.585) 13.355 5.070 ( 1.825 7.784 0.350) 8.003 5.249 ( 1.596 7.661 7.703) 10.981 5.305 ( 0.739 2.994 -4.384) 5.360 5.471 ( 0.241 8.542 0.237) 8.548 5.573 ( 0.236 -0.252 -2.106) 2.135 5.762 ( 3.684 -1.204 1.329) 4.097 5.818 ( -7.386 5.094 -8.615) 12.438 6.091 ( -3.176 5.429 -1.590) 6.488 6.151 ( -6.751 4.966 -0.419) 8.392 6.285 ( 2.114 -2.527 3.333) 4.687 6.566 ( 2.923 0.336 6.464) 7.102 6.580 ( 3.780 1.403 1.594) 4.336 6.649 ( -3.144 2.311 0.968) 4.020 6.905 ( -1.394 -4.920 -3.296) 6.084 7.142 ( 0.469 1.075 -0.808) 1.424 7.215 ( -0.537 4.436 -1.398) 4.682 7.305 ( 1.203 -2.607 2.146) 3.585 7.407 ( -6.401 -7.044 -0.823) 9.554 7.500 ( 2.531 8.553 4.804) 10.131 7.596 ( -3.426 4.275 -2.575) 6.053 7.827 ( 1.372 1.006 -1.322) 2.155 7.879 ( -0.241 15.057 -2.696) 15.298 8.100 ( -0.942 1.459 1.582) 2.349 8.489 ( -0.973 -0.215 0.589) 1.157 8.544 ( 5.773 14.128 1.261) 15.314 8.681 ( 3.371 2.671 1.767) 4.650 8.852 ( 0.794 2.792 -0.371) 2.926 8.903 ( -1.755 -1.482 -4.367) 4.934 9.739 ( 3.647 -8.810 -0.967) 9.584 9.793 ( -0.999 -10.187 2.335) 10.499 10.304 ( -1.961 -2.919 -2.750) 4.464 10.653 ( 3.159 -5.434 2.339) 6.707 11.137 ( 1.083 -4.044 -1.876) 4.588 11.269 ( 9.756 -10.357 7.661) 16.160 11.318 ( 4.410 -5.833 0.377) 7.323 11.371 ( -1.928 -6.219 -0.246) 6.516 11.614 ( -12.593 -8.919 -8.406) 17.573 11.918 ( -9.617 1.670 -4.852) 10.901 12.080 ( -0.918 -0.255 -0.237) 0.981 12.157 ( 2.612 -0.738 -1.077) 2.920 12.251 ( -1.878 -0.696 3.470) 4.007 12.561 ( 3.247 -4.912 4.222) 7.245 12.864 ( -4.125 -2.936 -1.858) 5.393 13.685 ( 8.984 17.701 4.516) 20.358 13.687 ( 0.043 1.491 -0.505) 1.575 13.892 ( -0.608 -1.164 -1.845) 2.264 13.957 ( -1.639 3.189 3.912) 5.307 14.260 ( 1.096 4.495 -0.401) 4.644 14.370 ( -2.128 9.495 -2.895) 10.152 14.506 ( 3.599 2.339 6.662) 7.925 14.664 ( 0.934 2.708 1.486) 3.227 14.762 ( -8.230 6.755 -8.259) 13.475 15.033 ( -0.333 6.666 -1.516) 6.844 15.543 ( 4.145 5.400 4.453) 8.134 16.368 ( 0.881 -2.603 -0.132) 2.751 16.427 ( 1.436 -2.578 0.197) 2.958 20.035 ( -0.556 -4.896 -1.136) 5.057 20.160 ( 1.375 -5.245 0.923) 5.501 20.312 ( -3.303 1.112 -1.436) 3.770 20.376 ( 1.382 0.536 1.269) 1.952 24.487 ( 0.728 1.046 0.748) 1.478 24.611 ( 1.135 3.001 -0.369) 3.230 24.753 ( 0.135 1.314 -1.485) 1.988 25.114 ( 3.453 7.605 2.044) 8.599 25.970 ( 0.249 -2.063 0.779) 2.219 26.115 ( -1.491 0.943 -1.990) 2.659 26.216 ( 0.389 -1.107 -1.171) 1.658 26.714 ( -3.308 0.945 0.595) 3.492 27.100 ( 0.532 -3.337 -0.012) 3.379 27.121 ( 1.205 0.560 0.278) 1.358 27.301 ( 6.481 -3.875 -0.443) 7.564 27.509 ( -6.821 1.599 1.951) 7.273 28.014 ( -1.131 -8.035 -1.526) 8.257 28.108 ( 3.259 -7.629 1.218) 8.384 28.358 ( -2.338 -5.620 -1.077) 6.182 28.448 ( 0.339 -6.135 2.470) 6.623 28.525 ( 0.056 -7.149 0.319) 7.156 28.787 ( -0.938 -0.090 -0.329) 0.998 29.311 ( 1.196 10.756 0.346) 10.828 29.722 ( -2.740 5.336 -2.571) 6.527 ======================= Grid point 37 (26/141) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.295 -13.475 -0.465) 13.487 1.442 ( -1.145 -2.504 -0.151) 2.758 2.158 ( 2.185 -18.551 1.134) 18.713 2.211 ( 7.933 -5.267 4.240) 10.423 2.253 ( 2.879 -4.155 -4.383) 6.690 2.423 ( 6.989 1.730 2.252) 7.544 2.481 ( 2.582 -3.560 -0.815) 4.473 2.555 ( -0.869 0.095 2.606) 2.749 2.693 ( -6.634 0.573 3.589) 7.564 2.730 ( -4.528 -0.676 -9.159) 10.240 2.894 ( 7.564 2.310 4.002) 8.863 2.929 ( 0.318 -10.416 6.332) 12.194 3.022 ( -7.246 -0.389 -6.855) 9.982 3.174 ( -4.071 7.729 -3.639) 9.463 3.257 ( -0.883 -3.668 -0.664) 3.830 3.380 ( -1.147 0.318 0.401) 1.256 3.575 ( 1.961 -6.275 0.728) 6.614 3.699 ( 4.707 -9.114 -0.970) 10.304 3.870 ( -0.464 -2.280 2.374) 3.324 3.985 ( -0.753 2.862 -0.654) 3.031 4.126 ( 1.467 1.028 0.416) 1.838 4.232 ( 0.270 6.417 0.515) 6.444 4.348 ( 4.793 6.104 -4.567) 9.005 4.449 ( -4.764 1.284 2.710) 5.629 4.509 ( -1.286 14.950 2.882) 15.280 4.671 ( -4.497 6.951 -0.689) 8.307 4.724 ( 0.271 6.296 -2.342) 6.723 4.768 ( 2.452 -4.718 0.798) 5.377 4.995 ( -0.186 15.080 3.132) 15.403 5.014 ( -1.116 -2.896 -0.730) 3.189 5.282 ( 1.920 0.956 -2.676) 3.429 5.306 ( -1.064 6.808 2.455) 7.315 5.589 ( 0.942 -0.829 -0.213) 1.273 5.728 ( -5.954 -1.762 -5.611) 8.369 5.774 ( 0.197 1.672 -0.210) 1.697 5.967 ( 0.508 7.075 -0.299) 7.099 6.033 ( -1.622 3.534 0.924) 3.997 6.339 ( 0.858 -2.337 0.880) 2.640 6.551 ( 4.035 1.623 4.018) 5.921 6.589 ( 1.899 0.132 1.631) 2.507 6.660 ( -1.259 -3.584 -0.230) 3.806 6.980 ( 1.654 -1.759 -0.948) 2.594 7.113 ( 0.276 3.733 0.353) 3.760 7.143 ( 3.120 3.276 2.389) 5.116 7.237 ( -5.894 13.987 -3.714) 15.626 7.396 ( 3.142 -2.339 1.279) 4.121 7.469 ( -1.025 0.029 0.050) 1.027 7.544 ( -2.626 -1.810 -0.074) 3.190 7.618 ( -2.429 9.408 -1.813) 9.884 7.839 ( -1.389 -4.545 -0.480) 4.777 8.110 ( -1.475 -2.738 -1.362) 3.395 8.284 ( 1.495 12.839 -0.071) 12.926 8.463 ( 2.651 2.766 3.975) 5.521 8.651 ( -1.027 3.341 -3.246) 4.770 8.834 ( 3.285 0.771 3.289) 4.712 8.902 ( -1.754 0.008 -2.479) 3.036 9.934 ( 3.264 -8.972 0.108) 9.548 9.982 ( -2.349 -9.258 0.653) 9.574 10.349 ( -1.270 -2.955 -1.677) 3.627 10.767 ( 2.527 -3.785 2.002) 4.972 11.216 ( -0.952 -4.084 -1.560) 4.474 11.420 ( -0.814 -3.170 -1.420) 3.567 11.461 ( 1.985 -5.556 0.829) 5.958 11.558 ( 10.208 -8.661 7.322) 15.259 11.711 ( -8.604 -7.352 -6.335) 12.970 11.829 ( -7.824 0.957 -3.972) 8.826 12.095 ( 0.376 -1.063 0.366) 1.186 12.177 ( 1.489 -0.075 -0.800) 1.692 12.228 ( -0.798 2.385 2.012) 3.221 12.679 ( 3.198 -4.272 3.056) 6.149 12.913 ( -1.517 -3.546 -0.601) 3.903 13.436 ( 4.854 11.495 1.562) 12.575 13.657 ( -0.381 1.403 -0.183) 1.465 13.842 ( 0.682 5.204 -0.214) 5.253 13.968 ( -0.076 -3.470 3.422) 4.874 14.165 ( -5.109 6.985 -5.455) 10.230 14.206 ( 0.398 2.452 0.959) 2.662 14.493 ( 4.222 1.513 5.119) 6.806 14.580 ( -5.508 2.717 -4.969) 7.900 14.645 ( -0.460 3.217 -1.258) 3.485 14.914 ( 0.254 5.247 -0.089) 5.254 15.424 ( 2.066 8.514 1.950) 8.975 16.401 ( 0.262 -0.494 -0.195) 0.592 16.473 ( 0.940 -1.142 0.110) 1.483 20.127 ( -0.320 -4.545 -0.525) 4.586 20.246 ( 2.442 -0.965 1.065) 2.834 20.286 ( -3.260 -1.938 -1.360) 4.030 20.377 ( 0.519 -0.054 0.638) 0.824 24.472 ( 0.415 0.816 0.454) 1.022 24.556 ( 0.535 2.971 -0.314) 3.035 24.725 ( -0.305 1.349 -0.700) 1.550 24.991 ( 1.626 6.699 0.795) 6.939 26.013 ( -0.036 -2.159 0.058) 2.160 26.133 ( -0.558 -3.110 -0.122) 3.162 26.231 ( -0.493 -0.718 -0.205) 0.895 26.688 ( -1.201 0.332 -0.229) 1.267 27.109 ( 0.672 1.301 0.261) 1.488 27.178 ( 0.465 -4.117 0.024) 4.144 27.308 ( 3.772 6.749 0.148) 7.733 27.507 ( -3.879 -5.419 0.312) 6.671 28.177 ( -0.631 -8.396 -0.996) 8.478 28.223 ( 0.297 -2.329 0.639) 2.433 28.380 ( 0.997 4.229 -1.127) 4.489 28.455 ( 0.790 -3.789 1.194) 4.051 28.769 ( -0.913 -1.828 -0.907) 2.235 28.889 ( 2.227 -17.444 3.366) 17.905 29.114 ( -1.531 8.305 -1.846) 8.645 29.609 ( -2.077 4.591 -0.791) 5.101 ======================= Grid point 38 (27/141) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 -7.372 0.000) 7.372 1.576 ( 0.000 -6.447 0.000) 6.447 2.237 ( -0.000 3.636 -0.000) 3.636 2.276 ( -0.000 4.084 -0.000) 4.084 2.330 ( -0.000 5.092 -0.000) 5.092 2.476 ( 0.000 -5.550 0.000) 5.550 2.539 ( 0.000 -3.748 0.000) 3.748 2.565 ( -0.000 0.932 -0.000) 0.932 2.722 ( 0.000 -3.051 0.000) 3.051 2.744 ( 0.000 -2.277 0.000) 2.277 2.793 ( -0.000 2.095 -0.000) 2.095 2.947 ( -0.000 1.809 -0.000) 1.809 3.126 ( 0.000 -7.242 0.000) 7.242 3.264 ( 0.000 -9.693 0.000) 9.693 3.309 ( 0.000 -1.609 0.000) 1.609 3.431 ( 0.000 -7.535 0.000) 7.535 3.708 ( 0.000 -3.885 0.000) 3.885 3.814 ( -0.000 9.037 -0.000) 9.037 3.889 ( 0.000 -7.661 0.000) 7.661 3.924 ( 0.000 -0.394 0.000) 0.394 4.025 ( -0.000 9.870 -0.000) 9.870 4.145 ( 0.000 -2.516 0.000) 2.516 4.244 ( -0.000 11.212 -0.000) 11.212 4.304 ( 0.000 -0.051 0.000) 0.051 4.340 ( -0.000 8.924 -0.000) 8.924 4.523 ( -0.000 5.542 -0.000) 5.542 4.525 ( -0.000 5.959 -0.000) 5.959 4.759 ( -0.000 8.745 -0.000) 8.745 4.833 ( 0.000 -0.231 0.000) 0.231 5.144 ( 0.000 -6.667 0.000) 6.667 5.232 ( -0.000 0.652 -0.000) 0.652 5.295 ( 0.000 -2.041 0.000) 2.041 5.569 ( -0.000 5.323 -0.000) 5.323 5.693 ( -0.000 5.227 -0.000) 5.227 5.737 ( 0.000 -0.619 0.000) 0.619 5.857 ( -0.000 4.022 -0.000) 4.022 6.034 ( 0.000 -3.463 0.000) 3.463 6.387 ( 0.000 -1.627 0.000) 1.627 6.566 ( -0.000 0.161 -0.000) 0.161 6.607 ( 0.000 -2.177 0.000) 2.177 6.732 ( 0.000 -3.889 0.000) 3.889 6.887 ( -0.000 12.820 -0.000) 12.820 6.959 ( -0.000 3.773 -0.000) 3.773 7.082 ( -0.000 1.068 -0.000) 1.068 7.153 ( 0.000 -0.923 0.000) 0.923 7.374 ( -0.000 3.164 -0.000) 3.164 7.384 ( -0.000 7.661 -0.000) 7.661 7.478 ( -0.000 4.329 -0.000) 4.329 7.649 ( 0.000 -7.555 0.000) 7.555 8.027 ( 0.000 -13.108 0.000) 13.108 8.082 ( -0.000 7.587 -0.000) 7.587 8.180 ( 0.000 -4.690 0.000) 4.690 8.420 ( -0.000 2.766 -0.000) 2.766 8.561 ( -0.000 4.505 -0.000) 4.505 8.818 ( -0.000 1.970 -0.000) 1.970 8.878 ( -0.000 2.591 -0.000) 2.591 10.098 ( 0.000 -3.585 0.000) 3.585 10.117 ( 0.000 -7.570 0.000) 7.570 10.410 ( 0.000 -3.737 0.000) 3.737 10.812 ( -0.000 0.281 -0.000) 0.281 11.281 ( 0.000 -2.668 0.000) 2.668 11.459 ( 0.000 -1.098 0.000) 1.098 11.536 ( 0.000 -1.260 0.000) 1.260 11.649 ( -0.000 2.479 -0.000) 2.479 11.830 ( 0.000 -5.536 0.000) 5.536 11.845 ( 0.000 -6.867 0.000) 6.867 12.112 ( 0.000 -0.417 0.000) 0.417 12.155 ( -0.000 4.316 -0.000) 4.316 12.184 ( 0.000 -0.371 0.000) 0.371 12.744 ( 0.000 -0.921 0.000) 0.921 12.970 ( 0.000 -2.517 0.000) 2.517 13.303 ( -0.000 3.736 -0.000) 3.736 13.636 ( -0.000 0.403 -0.000) 0.403 13.752 ( -0.000 3.751 -0.000) 3.751 14.030 ( -0.000 3.627 -0.000) 3.627 14.047 ( 0.000 -3.451 0.000) 3.451 14.194 ( 0.000 -0.345 0.000) 0.345 14.477 ( -0.000 1.860 -0.000) 1.860 14.558 ( 0.000 -2.020 0.000) 2.020 14.592 ( -0.000 1.772 -0.000) 1.772 14.843 ( -0.000 1.683 -0.000) 1.683 15.257 ( -0.000 8.615 -0.000) 8.615 16.395 ( -0.000 1.011 -0.000) 1.011 16.480 ( -0.000 0.578 -0.000) 0.578 20.201 ( 0.000 -2.989 0.000) 2.989 20.239 ( -0.000 0.787 -0.000) 0.787 20.334 ( 0.000 -2.183 0.000) 2.183 20.385 ( 0.000 -0.548 0.000) 0.548 24.464 ( -0.000 0.167 -0.000) 0.167 24.509 ( -0.000 1.878 -0.000) 1.878 24.699 ( -0.000 1.111 -0.000) 1.111 24.877 ( -0.000 5.315 -0.000) 5.315 26.052 ( 0.000 -1.834 0.000) 1.834 26.175 ( -0.000 0.227 -0.000) 0.227 26.284 ( 0.000 -6.148 0.000) 6.148 26.678 ( -0.000 0.640 -0.000) 0.640 27.084 ( -0.000 1.295 -0.000) 1.295 27.165 ( -0.000 7.683 -0.000) 7.683 27.253 ( 0.000 -2.985 0.000) 2.985 27.604 ( 0.000 -4.796 0.000) 4.796 28.224 ( -0.000 1.048 -0.000) 1.048 28.303 ( 0.000 -3.927 0.000) 3.927 28.309 ( -0.000 2.936 -0.000) 2.936 28.524 ( 0.000 -2.590 0.000) 2.590 28.778 ( -0.000 0.488 -0.000) 0.488 28.984 ( -0.000 3.535 -0.000) 3.535 29.249 ( 0.000 -16.751 0.000) 16.751 29.509 ( -0.000 5.426 -0.000) 5.426 ======================= Grid point 46 (28/141) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 7.737 -0.000 -4.370) 8.886 1.224 ( 13.994 -0.000 3.447) 14.413 1.616 ( -0.873 0.000 -2.351) 2.508 1.854 ( 0.948 -0.000 -2.358) 2.542 2.016 ( -2.142 0.000 -2.817) 3.539 2.052 ( 8.380 -0.000 16.824) 18.796 2.176 ( 2.441 -0.000 -11.857) 12.105 2.323 ( -7.417 0.000 -7.139) 10.294 2.676 ( 2.841 -0.000 10.369) 10.752 2.769 ( 1.074 -0.000 -0.901) 1.402 2.963 ( 3.726 -0.000 2.084) 4.269 3.026 ( -3.977 0.000 3.497) 5.296 3.049 ( 17.965 -0.000 12.241) 21.738 3.055 ( -3.158 0.000 -7.046) 7.722 3.445 ( 0.528 -0.000 -2.970) 3.016 3.502 ( -4.958 0.000 -7.029) 8.602 3.531 ( 11.938 -0.000 -2.137) 12.128 3.572 ( 2.441 -0.000 3.232) 4.050 3.751 ( -3.138 0.000 -1.350) 3.416 3.831 ( 0.897 -0.000 1.226) 1.519 4.028 ( 0.587 -0.000 -2.198) 2.275 4.142 ( -0.666 0.000 0.677) 0.950 4.291 ( 2.835 -0.000 -0.471) 2.874 4.479 ( -0.839 0.000 2.825) 2.948 4.548 ( -11.668 0.000 -4.296) 12.434 4.637 ( -2.429 0.000 -4.562) 5.168 5.024 ( -8.613 0.000 1.073) 8.679 5.216 ( -2.320 0.000 2.031) 3.083 5.306 ( -4.192 0.000 -7.768) 8.827 5.335 ( 4.333 -0.000 1.479) 4.578 5.354 ( 2.746 -0.000 4.994) 5.700 5.558 ( -2.322 0.000 -2.670) 3.539 5.628 ( 9.332 -0.000 5.602) 10.885 5.786 ( 3.250 -0.000 -2.715) 4.235 5.786 ( -1.726 0.000 -2.953) 3.420 6.203 ( -2.359 0.000 2.265) 3.270 6.222 ( -0.800 0.000 1.797) 1.967 6.439 ( -12.818 0.000 -8.500) 15.380 6.489 ( 5.513 -0.000 8.594) 10.211 6.571 ( 0.121 -0.000 2.753) 2.756 6.750 ( -7.496 0.000 -1.048) 7.569 6.853 ( -5.623 0.000 -4.715) 7.339 7.050 ( -1.199 0.000 -3.074) 3.299 7.264 ( 1.820 -0.000 1.887) 2.622 7.318 ( -2.041 0.000 -1.234) 2.385 7.436 ( -0.332 0.000 -1.709) 1.741 7.480 ( -0.540 0.000 1.817) 1.895 7.768 ( 3.209 -0.000 0.461) 3.242 7.777 ( -0.254 0.000 0.193) 0.319 8.143 ( 8.682 -0.000 12.246) 15.011 8.435 ( 2.673 -0.000 0.053) 2.673 8.438 ( -6.018 0.000 -10.110) 11.765 8.653 ( -1.463 0.000 -1.824) 2.338 8.880 ( 6.214 -0.000 0.186) 6.216 8.902 ( 4.822 -0.000 4.592) 6.659 9.057 ( 3.606 -0.000 0.547) 3.647 9.404 ( -5.407 0.000 -6.093) 8.147 9.612 ( 5.201 -0.000 3.507) 6.273 10.231 ( -1.248 0.000 -1.561) 1.999 10.511 ( 2.254 -0.000 1.573) 2.749 10.962 ( 11.530 -0.000 6.727) 13.349 11.077 ( 0.426 -0.000 -0.591) 0.729 11.136 ( 0.339 -0.000 -1.995) 2.024 11.235 ( 1.163 -0.000 1.375) 1.800 11.394 ( -12.604 0.000 -7.218) 14.524 11.959 ( -10.216 0.000 -5.248) 11.486 12.083 ( -0.073 0.000 -0.343) 0.351 12.130 ( -1.484 0.000 -1.063) 1.825 12.203 ( 0.510 -0.000 2.434) 2.486 12.435 ( 1.721 -0.000 3.582) 3.974 12.811 ( -5.157 0.000 -2.607) 5.778 13.712 ( 0.014 -0.000 0.154) 0.155 13.809 ( -2.351 0.000 0.855) 2.502 14.048 ( 0.653 -0.000 2.470) 2.555 14.237 ( -2.186 0.000 -0.905) 2.366 14.386 ( -0.494 0.000 -4.295) 4.323 14.546 ( 6.173 -0.000 -1.302) 6.309 14.697 ( 0.462 -0.000 1.781) 1.840 14.698 ( -5.472 0.000 11.254) 12.513 15.012 ( 4.265 -0.000 1.294) 4.457 15.245 ( -3.506 0.000 -2.795) 4.484 15.568 ( 4.421 -0.000 1.785) 4.768 16.263 ( 0.576 -0.000 -0.265) 0.635 16.352 ( 0.200 -0.000 1.741) 1.752 19.954 ( 2.196 -0.000 0.777) 2.329 19.958 ( -0.295 0.000 -0.446) 0.535 20.348 ( -2.261 0.000 -1.125) 2.526 20.398 ( 1.638 -0.000 1.130) 1.990 24.514 ( 0.543 -0.000 0.643) 0.842 24.675 ( 1.083 -0.000 -0.057) 1.085 24.786 ( 0.745 -0.000 -1.642) 1.803 25.327 ( -1.600 0.000 3.973) 4.283 25.923 ( -0.037 0.000 0.477) 0.478 26.174 ( 0.636 -0.000 -2.473) 2.553 26.292 ( 0.903 -0.000 -7.566) 7.620 26.740 ( -4.035 0.000 2.480) 4.736 27.040 ( 0.644 -0.000 0.349) 0.732 27.051 ( 0.455 -0.000 0.877) 0.988 27.138 ( -0.531 0.000 -2.230) 2.292 27.547 ( -2.450 0.000 3.820) 4.538 27.882 ( -0.241 0.000 0.130) 0.274 27.899 ( 0.349 -0.000 3.763) 3.779 28.059 ( -0.530 0.000 -0.345) 0.632 28.104 ( -3.191 0.000 -0.240) 3.200 28.624 ( 0.967 -0.000 0.526) 1.101 28.776 ( 0.855 -0.000 -1.475) 1.705 29.587 ( 3.100 -0.000 2.629) 4.065 29.889 ( 0.415 -0.000 -4.840) 4.858 ======================= Grid point 47 (29/141) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.906 -0.558 0.086) 3.947 1.420 ( 2.549 -11.846 0.061) 12.117 1.548 ( -0.959 4.513 -1.274) 4.787 1.927 ( 7.311 -6.057 2.255) 9.758 2.047 ( -0.388 -4.692 0.597) 4.746 2.154 ( -1.241 -5.348 0.267) 5.496 2.300 ( 2.269 -9.866 -0.875) 10.161 2.365 ( -3.679 -7.988 -6.531) 10.954 2.665 ( 0.419 2.353 4.889) 5.442 2.796 ( 0.846 -2.186 1.401) 2.731 2.883 ( 0.476 7.802 1.359) 7.934 2.945 ( -2.235 4.568 -0.586) 5.119 3.092 ( 1.403 -4.930 0.354) 5.138 3.257 ( 11.163 -2.912 4.991) 12.570 3.353 ( -3.171 2.226 -1.920) 4.324 3.463 ( -2.254 1.232 -5.804) 6.347 3.534 ( 6.413 6.334 -1.777) 9.187 3.564 ( -0.075 2.966 2.648) 3.977 3.792 ( 0.888 -4.946 2.142) 5.463 3.826 ( 0.382 -1.097 -0.905) 1.472 4.112 ( -0.011 -7.181 -1.378) 7.312 4.182 ( 1.274 -2.595 1.160) 3.115 4.309 ( 0.464 -1.217 -0.523) 1.404 4.464 ( -3.473 0.289 0.225) 3.492 4.511 ( -3.578 -1.753 -1.157) 4.149 4.687 ( -1.011 -5.638 -2.257) 6.157 4.941 ( -4.370 4.384 0.003) 6.190 5.093 ( -1.304 10.933 -0.046) 11.011 5.220 ( -1.075 5.711 0.300) 5.820 5.334 ( 0.984 2.108 2.722) 3.581 5.356 ( 0.438 1.698 -1.150) 2.097 5.554 ( -0.116 -0.807 -0.780) 1.128 5.640 ( 3.322 5.565 -0.451) 6.497 5.764 ( 1.882 -0.663 0.956) 2.213 5.850 ( -0.256 -1.772 -1.765) 2.515 6.162 ( -2.596 2.599 1.041) 3.818 6.234 ( -5.486 9.715 -5.100) 12.267 6.248 ( 0.873 -1.958 3.012) 3.697 6.574 ( -0.061 -0.319 0.736) 0.804 6.585 ( 3.320 -2.827 5.312) 6.873 6.725 ( -3.311 6.317 -1.771) 7.349 6.767 ( -3.443 -5.490 -2.060) 6.800 7.154 ( -0.174 -7.328 -1.148) 7.420 7.216 ( -2.169 3.539 -0.468) 4.177 7.321 ( -0.023 -0.487 0.114) 0.501 7.324 ( -0.275 5.614 -0.061) 5.621 7.558 ( -0.267 -2.704 0.188) 2.724 7.686 ( 0.285 5.429 0.532) 5.462 7.838 ( 1.193 -1.347 0.203) 1.810 8.148 ( 4.684 4.686 3.664) 7.571 8.251 ( -0.272 16.356 0.270) 16.360 8.430 ( -2.198 -2.933 -2.726) 4.568 8.677 ( 0.225 -1.944 -0.380) 1.994 8.863 ( 4.002 8.083 2.159) 9.275 8.903 ( 1.589 1.912 0.792) 2.609 8.929 ( -0.689 7.780 -3.051) 8.386 9.533 ( -1.120 -11.754 -1.852) 11.951 9.672 ( 2.250 -3.665 2.031) 4.756 10.244 ( -0.809 -2.045 -1.134) 2.474 10.565 ( 1.182 -4.237 0.869) 4.484 11.087 ( 2.194 -2.341 -0.641) 3.272 11.137 ( 7.719 -8.304 6.323) 12.981 11.209 ( 0.050 -6.345 -1.350) 6.487 11.271 ( 1.984 -3.387 1.764) 4.303 11.382 ( -11.334 -5.744 -6.945) 14.481 11.896 ( -5.826 0.944 -3.113) 6.673 12.076 ( -0.555 0.354 -0.208) 0.690 12.144 ( 0.765 -1.503 -0.658) 1.810 12.219 ( -0.460 -1.255 1.731) 2.187 12.483 ( 1.055 -3.778 1.827) 4.327 12.800 ( -2.316 -1.385 -1.082) 2.907 13.706 ( 0.044 0.654 0.062) 0.658 13.821 ( -0.948 -2.188 0.574) 2.453 14.025 ( 0.292 2.826 1.614) 3.268 14.073 ( 0.392 14.408 -0.197) 14.415 14.346 ( 0.054 3.417 -1.604) 3.775 14.545 ( 3.791 5.052 -5.590) 8.435 14.590 ( -1.177 5.055 10.771) 11.956 14.711 ( 1.491 0.314 2.408) 2.850 14.892 ( -3.101 11.457 -4.333) 12.635 15.155 ( -0.361 5.638 -1.085) 5.753 15.614 ( 1.887 -0.326 1.905) 2.701 16.306 ( 0.199 -3.458 -0.123) 3.466 16.380 ( 0.482 -2.473 0.526) 2.574 19.958 ( 0.136 -2.279 -0.345) 2.309 20.051 ( 0.595 -5.929 0.413) 5.973 20.323 ( -1.441 1.247 -0.676) 2.022 20.398 ( 0.822 0.759 0.604) 1.271 24.509 ( 0.328 0.733 0.347) 0.875 24.664 ( 0.627 1.674 -0.057) 1.788 24.778 ( 0.276 1.023 -0.860) 1.365 25.262 ( 0.304 5.531 1.527) 5.745 25.937 ( 0.050 -1.344 0.363) 1.393 26.172 ( -0.215 2.713 -1.627) 3.171 26.213 ( 0.845 2.866 -1.890) 3.536 26.714 ( -2.111 0.738 1.033) 2.463 27.055 ( 0.241 -1.450 0.082) 1.472 27.130 ( 0.476 -0.096 0.545) 0.730 27.178 ( 0.904 -9.052 -1.364) 9.199 27.528 ( -1.855 1.447 1.770) 2.944 27.906 ( -0.075 -2.113 0.307) 2.137 27.965 ( 1.040 -7.592 0.285) 7.668 28.171 ( 0.118 -11.248 0.588) 11.264 28.192 ( -3.126 -8.734 -0.111) 9.277 28.584 ( 0.379 3.994 0.153) 4.014 28.784 ( 0.143 -0.157 -0.503) 0.546 29.518 ( 1.458 8.149 0.954) 8.334 29.827 ( -0.251 5.583 -1.958) 5.922 ======================= Grid point 48 (30/141) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 -9.674 0.000) 9.674 1.446 ( -0.000 2.889 -0.000) 2.889 1.759 ( 0.000 -19.836 0.000) 19.836 2.111 ( 0.000 -8.278 0.000) 8.278 2.154 ( 0.000 -5.815 0.000) 5.815 2.290 ( 0.000 -9.292 0.000) 9.292 2.486 ( 0.000 -4.335 0.000) 4.335 2.546 ( 0.000 -11.052 0.000) 11.052 2.619 ( -0.000 1.536 -0.000) 1.536 2.734 ( -0.000 6.022 -0.000) 6.022 2.858 ( -0.000 2.355 -0.000) 2.355 2.859 ( 0.000 -4.009 0.000) 4.009 3.133 ( -0.000 9.980 -0.000) 9.980 3.183 ( 0.000 -3.714 0.000) 3.714 3.363 ( -0.000 10.173 -0.000) 10.173 3.418 ( -0.000 3.263 -0.000) 3.263 3.490 ( 0.000 -5.250 0.000) 5.250 3.547 ( 0.000 -5.027 0.000) 5.027 3.826 ( 0.000 -1.788 0.000) 1.788 3.953 ( 0.000 -5.689 0.000) 5.689 4.182 ( -0.000 2.763 -0.000) 2.763 4.254 ( 0.000 -4.558 0.000) 4.558 4.375 ( 0.000 -4.895 0.000) 4.895 4.446 ( -0.000 1.278 -0.000) 1.278 4.584 ( 0.000 -7.789 0.000) 7.789 4.782 ( 0.000 -1.451 0.000) 1.451 4.806 ( -0.000 7.735 -0.000) 7.735 4.818 ( -0.000 14.791 -0.000) 14.791 5.082 ( -0.000 7.223 -0.000) 7.223 5.253 ( -0.000 7.786 -0.000) 7.786 5.322 ( -0.000 2.010 -0.000) 2.010 5.469 ( -0.000 10.221 -0.000) 10.221 5.574 ( 0.000 -0.979 0.000) 0.979 5.759 ( -0.000 8.096 -0.000) 8.096 5.789 ( 0.000 -0.290 0.000) 0.290 6.087 ( -0.000 3.229 -0.000) 3.229 6.090 ( -0.000 4.538 -0.000) 4.538 6.301 ( 0.000 -2.269 0.000) 2.269 6.582 ( 0.000 -0.206 0.000) 0.206 6.614 ( -0.000 1.433 -0.000) 1.433 6.623 ( -0.000 1.464 -0.000) 1.464 6.895 ( 0.000 -6.863 0.000) 6.863 7.144 ( -0.000 1.238 -0.000) 1.238 7.220 ( -0.000 4.616 -0.000) 4.616 7.327 ( 0.000 -8.590 0.000) 8.590 7.343 ( 0.000 -2.167 0.000) 2.167 7.531 ( -0.000 11.321 -0.000) 11.321 7.565 ( -0.000 1.807 -0.000) 1.807 7.835 ( -0.000 1.631 -0.000) 1.631 7.878 ( -0.000 17.882 -0.000) 17.882 8.093 ( -0.000 1.799 -0.000) 1.799 8.483 ( 0.000 -1.310 0.000) 1.310 8.584 ( -0.000 16.240 -0.000) 16.240 8.700 ( -0.000 0.894 -0.000) 0.894 8.864 ( -0.000 1.292 -0.000) 1.292 8.883 ( -0.000 0.190 -0.000) 0.190 9.765 ( 0.000 -11.681 0.000) 11.681 9.784 ( 0.000 -7.148 0.000) 7.148 10.291 ( 0.000 -2.747 0.000) 2.747 10.674 ( 0.000 -5.914 0.000) 5.914 11.141 ( 0.000 -3.233 0.000) 3.233 11.334 ( 0.000 -5.658 0.000) 5.658 11.337 ( 0.000 -7.493 0.000) 7.493 11.446 ( 0.000 -11.428 0.000) 11.428 11.456 ( 0.000 -7.425 0.000) 7.425 11.850 ( -0.000 1.952 -0.000) 1.952 12.076 ( 0.000 -0.658 0.000) 0.658 12.174 ( 0.000 -0.912 0.000) 0.912 12.239 ( 0.000 -0.617 0.000) 0.617 12.585 ( 0.000 -5.724 0.000) 5.724 12.838 ( 0.000 -3.175 0.000) 3.175 13.686 ( -0.000 1.373 -0.000) 1.373 13.743 ( -0.000 16.879 -0.000) 16.879 13.888 ( 0.000 -3.511 0.000) 3.511 13.949 ( -0.000 4.951 -0.000) 4.951 14.270 ( -0.000 3.982 -0.000) 3.982 14.353 ( -0.000 12.049 -0.000) 12.049 14.549 ( -0.000 1.754 -0.000) 1.754 14.658 ( -0.000 8.399 -0.000) 8.399 14.697 ( -0.000 2.083 -0.000) 2.083 15.034 ( -0.000 6.552 -0.000) 6.552 15.571 ( -0.000 5.275 -0.000) 5.275 16.372 ( 0.000 -2.666 0.000) 2.666 16.437 ( 0.000 -2.696 0.000) 2.696 20.032 ( 0.000 -4.736 0.000) 4.736 20.172 ( 0.000 -5.825 0.000) 5.825 20.288 ( -0.000 1.650 -0.000) 1.650 20.385 ( -0.000 0.627 -0.000) 0.627 24.492 ( -0.000 1.009 -0.000) 1.009 24.619 ( -0.000 3.047 -0.000) 3.047 24.752 ( -0.000 1.489 -0.000) 1.489 25.135 ( -0.000 7.264 -0.000) 7.264 25.972 ( 0.000 -2.059 0.000) 2.059 26.104 ( -0.000 1.203 -0.000) 1.203 26.219 ( 0.000 -0.768 0.000) 0.768 26.693 ( -0.000 0.662 -0.000) 0.662 27.103 ( 0.000 -3.377 0.000) 3.377 27.129 ( -0.000 0.455 -0.000) 0.455 27.356 ( 0.000 -7.956 0.000) 7.956 27.452 ( -0.000 5.488 -0.000) 5.488 28.006 ( 0.000 -7.772 0.000) 7.772 28.131 ( 0.000 -7.410 0.000) 7.410 28.341 ( 0.000 -7.475 0.000) 7.475 28.452 ( 0.000 -5.864 0.000) 5.864 28.525 ( 0.000 -7.718 0.000) 7.718 28.781 ( -0.000 0.121 -0.000) 0.121 29.318 ( -0.000 11.625 -0.000) 11.625 29.705 ( -0.000 5.945 -0.000) 5.945 ======================= Grid point 59 (31/141) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 -0.000 -0.000) 0.000 1.312 ( 0.000 -0.000 -0.000) 0.000 1.613 ( 0.000 -0.000 0.000) 0.000 1.860 ( 0.000 -0.000 0.000) 0.000 1.997 ( 0.000 -0.000 -0.000) 0.000 2.103 ( 0.000 -0.000 0.000) 0.000 2.188 ( 0.000 -0.000 -0.000) 0.000 2.270 ( 0.000 -0.000 0.000) 0.000 2.706 ( 0.000 -0.000 0.000) 0.000 2.765 ( 0.000 -0.000 0.000) 0.000 2.983 ( 0.000 -0.000 -0.000) 0.000 2.996 ( 0.000 -0.000 0.000) 0.000 3.033 ( 0.000 -0.000 -0.000) 0.000 3.244 ( 0.000 -0.000 0.000) 0.000 3.402 ( -0.000 0.000 -0.000) 0.000 3.437 ( 0.000 -0.000 -0.000) 0.000 3.607 ( 0.000 -0.000 -0.000) 0.000 3.624 ( 0.000 -0.000 -0.000) 0.000 3.720 ( 0.000 -0.000 0.000) 0.000 3.842 ( 0.000 -0.000 0.000) 0.000 4.029 ( 0.000 -0.000 -0.000) 0.000 4.143 ( 0.000 -0.000 -0.000) 0.000 4.309 ( 0.000 -0.000 -0.000) 0.000 4.464 ( 0.000 -0.000 0.000) 0.000 4.470 ( 0.000 -0.000 0.000) 0.000 4.624 ( 0.000 -0.000 0.000) 0.000 4.970 ( 0.000 -0.000 -0.000) 0.000 5.201 ( 0.000 -0.000 -0.000) 0.000 5.270 ( 0.000 -0.000 0.000) 0.000 5.362 ( 0.000 -0.000 0.000) 0.000 5.378 ( 0.000 -0.000 0.000) 0.000 5.541 ( 0.000 -0.000 -0.000) 0.000 5.715 ( 0.000 -0.000 0.000) 0.000 5.753 ( 0.000 -0.000 -0.000) 0.000 5.807 ( 0.000 -0.000 -0.000) 0.000 6.188 ( 0.000 -0.000 -0.000) 0.000 6.222 ( 0.000 -0.000 -0.000) 0.000 6.351 ( 0.000 -0.000 0.000) 0.000 6.530 ( 0.000 -0.000 0.000) 0.000 6.580 ( 0.000 -0.000 0.000) 0.000 6.700 ( 0.000 -0.000 0.000) 0.000 6.807 ( 0.000 -0.000 -0.000) 0.000 7.041 ( 0.000 -0.000 -0.000) 0.000 7.276 ( 0.000 -0.000 -0.000) 0.000 7.305 ( 0.000 -0.000 0.000) 0.000 7.433 ( 0.000 -0.000 -0.000) 0.000 7.476 ( 0.000 -0.000 0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 7.788 ( 0.000 -0.000 -0.000) 0.000 8.218 ( 0.000 -0.000 0.000) 0.000 8.381 ( 0.000 -0.000 -0.000) 0.000 8.451 ( 0.000 -0.000 0.000) 0.000 8.643 ( 0.000 -0.000 -0.000) 0.000 8.919 ( 0.000 -0.000 -0.000) 0.000 8.938 ( 0.000 -0.000 -0.000) 0.000 9.079 ( 0.000 -0.000 0.000) 0.000 9.364 ( 0.000 -0.000 0.000) 0.000 9.646 ( 0.000 -0.000 0.000) 0.000 10.222 ( 0.000 -0.000 0.000) 0.000 10.525 ( 0.000 -0.000 0.000) 0.000 11.061 ( 0.000 -0.000 0.000) 0.000 11.081 ( 0.000 -0.000 -0.000) 0.000 11.136 ( 0.000 -0.000 0.000) 0.000 11.243 ( 0.000 -0.000 -0.000) 0.000 11.288 ( 0.000 -0.000 -0.000) 0.000 11.886 ( 0.000 -0.000 -0.000) 0.000 12.083 ( 0.000 -0.000 -0.000) 0.000 12.124 ( 0.000 -0.000 0.000) 0.000 12.207 ( 0.000 -0.000 0.000) 0.000 12.448 ( 0.000 -0.000 -0.000) 0.000 12.780 ( 0.000 -0.000 -0.000) 0.000 13.712 ( 0.000 -0.000 -0.000) 0.000 13.794 ( 0.000 -0.000 0.000) 0.000 14.054 ( 0.000 -0.000 -0.000) 0.000 14.223 ( 0.000 -0.000 -0.000) 0.000 14.380 ( 0.000 -0.000 -0.000) 0.000 14.625 ( -0.000 0.000 0.000) 0.000 14.628 ( 0.000 -0.000 0.000) 0.000 14.700 ( 0.000 -0.000 -0.000) 0.000 15.039 ( 0.000 -0.000 -0.000) 0.000 15.223 ( 0.000 -0.000 0.000) 0.000 15.595 ( 0.000 -0.000 -0.000) 0.000 16.267 ( 0.000 -0.000 0.000) 0.000 16.354 ( 0.000 -0.000 0.000) 0.000 19.956 ( 0.000 -0.000 0.000) 0.000 19.969 ( 0.000 -0.000 -0.000) 0.000 20.332 ( 0.000 -0.000 0.000) 0.000 20.409 ( 0.000 -0.000 0.000) 0.000 24.518 ( 0.000 -0.000 0.000) 0.000 24.682 ( 0.000 -0.000 -0.000) 0.000 24.789 ( 0.000 -0.000 -0.000) 0.000 25.318 ( 0.000 -0.000 -0.000) 0.000 25.923 ( 0.000 -0.000 -0.000) 0.000 26.177 ( 0.000 -0.000 -0.000) 0.000 26.294 ( 0.000 -0.000 -0.000) 0.000 26.716 ( 0.000 -0.000 -0.000) 0.000 27.045 ( 0.000 -0.000 -0.000) 0.000 27.054 ( 0.000 -0.000 -0.000) 0.000 27.133 ( 0.000 -0.000 0.000) 0.000 27.533 ( 0.000 -0.000 -0.000) 0.000 27.881 ( 0.000 -0.000 -0.000) 0.000 27.903 ( 0.000 -0.000 -0.000) 0.000 28.055 ( 0.000 -0.000 0.000) 0.000 28.084 ( 0.000 -0.000 0.000) 0.000 28.630 ( 0.000 -0.000 0.000) 0.000 28.781 ( 0.000 -0.000 0.000) 0.000 29.607 ( 0.000 -0.000 -0.000) 0.000 29.890 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 6.570 -0.000 27.639) 28.409 0.567 ( 5.800 -0.000 29.949) 30.506 0.991 ( 17.072 -0.000 50.893) 53.680 1.555 ( -0.860 0.000 -3.486) 3.591 1.768 ( 2.914 -0.000 -5.231) 5.988 1.916 ( -9.410 0.000 -20.384) 22.451 2.145 ( -11.744 0.000 -8.296) 14.378 2.480 ( 7.052 -0.000 6.678) 9.712 2.658 ( -9.064 0.000 -0.956) 9.114 2.712 ( 4.236 -0.000 9.329) 10.246 2.825 ( 4.072 -0.000 0.889) 4.168 2.953 ( 6.936 -0.000 -4.623) 8.335 3.038 ( -2.735 0.000 -5.650) 6.277 3.146 ( -5.314 0.000 7.814) 9.450 3.310 ( 6.139 -0.000 6.504) 8.944 3.326 ( -11.567 0.000 -11.016) 15.973 3.517 ( -2.633 0.000 -2.328) 3.514 3.530 ( -1.874 0.000 0.128) 1.878 3.890 ( -0.730 0.000 9.560) 9.588 3.967 ( 6.111 -0.000 -2.847) 6.742 4.074 ( -3.242 0.000 -0.665) 3.309 4.122 ( 0.700 -0.000 -7.671) 7.703 4.206 ( -7.318 0.000 0.394) 7.329 4.285 ( 6.334 -0.000 1.024) 6.416 4.849 ( -6.519 0.000 -2.622) 7.026 4.861 ( 5.058 -0.000 -5.561) 7.517 5.029 ( 8.210 -0.000 -2.767) 8.664 5.092 ( -8.024 0.000 -5.467) 9.710 5.160 ( 2.087 -0.000 5.552) 5.932 5.359 ( -1.955 0.000 -1.324) 2.361 5.421 ( 6.337 -0.000 -6.505) 9.081 5.515 ( -4.314 0.000 -4.711) 6.388 5.711 ( -3.811 0.000 7.563) 8.469 5.796 ( -4.217 0.000 8.539) 9.524 6.195 ( -27.756 0.000 -3.265) 27.948 6.270 ( 1.673 -0.000 -2.512) 3.018 6.343 ( 8.765 -0.000 -3.432) 9.413 6.348 ( 5.511 -0.000 -2.306) 5.974 6.455 ( -8.103 0.000 2.896) 8.605 6.707 ( 2.947 -0.000 10.942) 11.332 6.828 ( 2.288 -0.000 -8.069) 8.387 7.130 ( -2.246 0.000 -0.197) 2.254 7.222 ( 2.444 -0.000 2.311) 3.364 7.241 ( 0.782 -0.000 3.676) 3.758 7.311 ( 0.507 -0.000 4.683) 4.711 7.482 ( -7.820 0.000 -2.712) 8.277 7.668 ( 5.715 -0.000 4.601) 7.337 7.875 ( -7.299 0.000 -0.688) 7.331 7.917 ( 4.065 -0.000 2.960) 5.028 8.007 ( -22.286 0.000 4.229) 22.684 8.199 ( -3.145 0.000 -3.475) 4.687 8.555 ( -4.346 0.000 -6.280) 7.637 8.593 ( -0.873 0.000 -3.872) 3.969 8.705 ( 0.445 -0.000 -3.659) 3.686 8.730 ( 1.515 -0.000 2.146) 2.627 8.879 ( -8.263 0.000 -3.456) 8.957 9.227 ( 10.565 -0.000 5.989) 12.144 9.610 ( -6.273 0.000 -4.460) 7.697 10.326 ( 3.171 -0.000 -0.004) 3.171 10.335 ( -4.198 0.000 0.951) 4.304 10.695 ( 2.799 -0.000 7.564) 8.065 11.017 ( 0.078 -0.000 -2.440) 2.441 11.076 ( -1.557 0.000 1.155) 1.939 11.225 ( -0.496 0.000 -2.286) 2.339 11.921 ( -6.247 0.000 3.074) 6.962 12.099 ( -0.685 0.000 0.454) 0.821 12.120 ( 0.360 -0.000 -1.126) 1.182 12.169 ( 4.142 -0.000 -1.761) 4.501 12.332 ( 2.335 -0.000 2.285) 3.267 12.515 ( 33.964 -0.000 -1.545) 33.999 13.068 ( 39.140 -0.000 1.850) 39.184 13.459 ( -17.435 0.000 -10.240) 20.220 13.794 ( 0.386 -0.000 6.260) 6.272 13.931 ( 4.882 -0.000 -2.321) 5.406 14.089 ( 2.510 -0.000 5.605) 6.142 14.435 ( -7.376 0.000 -6.357) 9.737 14.493 ( 11.594 -0.000 -0.302) 11.598 14.523 ( -6.616 0.000 -0.502) 6.635 14.822 ( 4.228 -0.000 7.869) 8.933 15.147 ( 27.334 -0.000 -1.721) 27.389 15.180 ( 2.026 -0.000 2.976) 3.600 15.452 ( -7.747 0.000 -4.132) 8.780 16.225 ( 0.047 -0.000 -0.084) 0.096 16.250 ( 6.201 -0.000 -0.795) 6.252 19.854 ( 0.697 -0.000 0.740) 1.017 19.963 ( -1.881 0.000 -2.523) 3.147 20.311 ( 1.816 -0.000 2.687) 3.244 20.446 ( -1.016 0.000 -1.186) 1.561 24.497 ( 1.158 -0.000 1.102) 1.599 24.600 ( -1.371 0.000 -1.771) 2.240 24.708 ( 15.318 -0.000 1.287) 15.372 24.737 ( -2.737 0.000 0.137) 2.741 25.935 ( 2.388 -0.000 1.396) 2.766 26.141 ( -2.765 0.000 -3.777) 4.681 26.700 ( -29.902 0.000 2.684) 30.023 26.916 ( 5.234 -0.000 -4.091) 6.643 27.010 ( 0.033 -0.000 0.294) 0.296 27.020 ( -0.715 0.000 0.728) 1.021 27.230 ( -3.838 0.000 6.049) 7.164 27.633 ( 8.790 -0.000 -5.612) 10.429 27.902 ( 18.047 -0.000 1.295) 18.093 27.931 ( -0.654 0.000 -0.055) 0.656 28.305 ( 0.848 -0.000 2.079) 2.245 28.451 ( 36.686 -0.000 -0.220) 36.686 28.559 ( 2.897 -0.000 0.853) 3.020 28.740 ( -5.524 0.000 -2.457) 6.046 29.343 ( 6.893 -0.000 0.737) 6.932 29.386 ( -51.720 0.000 -0.358) 51.721 ======================= Grid point 108 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 5.045 -15.632 19.628) 25.594 0.920 ( 11.832 -23.121 18.465) 31.867 1.431 ( 19.783 -23.430 30.604) 43.324 1.561 ( 1.076 -1.368 -3.870) 4.243 1.766 ( -4.203 1.219 -5.404) 6.953 1.873 ( 1.502 -1.950 -13.041) 13.271 2.106 ( -4.582 -2.367 -1.660) 5.418 2.493 ( 8.179 -0.014 4.960) 9.565 2.570 ( -5.488 3.405 0.171) 6.461 2.753 ( -3.957 -1.382 1.265) 4.378 2.872 ( 3.098 -0.724 -1.396) 3.475 2.938 ( 7.630 -0.220 -1.311) 7.745 3.100 ( -3.447 -3.865 -0.472) 5.200 3.164 ( -4.488 -5.127 2.204) 7.161 3.264 ( -8.092 -0.582 -7.176) 10.831 3.345 ( 5.892 0.791 4.787) 7.633 3.494 ( -0.756 1.561 -2.952) 3.424 3.568 ( -3.984 -3.795 0.449) 5.521 3.859 ( 0.252 2.205 4.690) 5.189 3.955 ( 0.646 5.168 -0.368) 5.221 4.040 ( -3.322 2.754 -2.828) 5.159 4.136 ( 0.299 -1.561 -8.263) 8.415 4.206 ( -1.453 -5.351 0.321) 5.554 4.350 ( 6.215 -2.461 -2.173) 7.029 4.816 ( -0.866 1.183 -2.136) 2.591 4.877 ( 2.697 3.734 -2.091) 5.059 5.008 ( -7.500 -0.855 -2.892) 8.084 5.098 ( 5.404 0.836 -1.852) 5.773 5.134 ( 0.066 3.114 2.723) 4.137 5.276 ( -1.258 5.702 1.007) 5.926 5.450 ( 4.905 1.526 -0.913) 5.217 5.528 ( -0.649 -3.476 -7.247) 8.064 5.699 ( -3.786 -1.455 5.519) 6.849 5.768 ( -14.749 7.122 5.528) 17.287 5.849 ( -7.851 1.080 6.407) 10.191 6.228 ( 5.855 3.725 0.883) 6.995 6.297 ( 7.165 7.341 -5.654) 11.714 6.397 ( 0.494 0.065 1.851) 1.917 6.442 ( 0.818 1.881 -3.627) 4.167 6.727 ( -0.054 -0.498 8.157) 8.172 6.844 ( 2.847 2.212 -5.015) 6.177 7.058 ( 2.050 2.253 0.529) 3.092 7.140 ( 1.107 5.281 5.948) 8.031 7.318 ( -4.342 0.643 6.439) 7.793 7.448 ( 0.401 -1.723 0.497) 1.838 7.552 ( 1.121 -7.213 0.046) 7.300 7.696 ( 1.017 2.737 5.062) 5.844 7.824 ( -21.385 -3.190 -8.135) 23.101 7.863 ( -1.918 1.963 2.130) 3.474 7.935 ( 0.784 0.537 5.301) 5.385 8.118 ( 2.175 7.085 -2.331) 7.770 8.405 ( 0.020 10.595 -3.579) 11.183 8.557 ( -3.982 2.029 -8.526) 9.626 8.654 ( -0.547 4.546 -7.060) 8.415 8.800 ( 2.328 -0.844 -0.101) 2.478 8.871 ( -4.852 -3.104 -3.976) 6.999 9.401 ( 7.624 -9.362 4.901) 13.031 9.631 ( -4.142 -5.736 -5.006) 8.667 10.345 ( -4.191 -3.530 0.499) 5.502 10.390 ( 4.759 -3.629 0.702) 6.026 10.797 ( 4.202 -7.136 7.652) 11.275 11.039 ( 1.221 -2.166 -1.333) 2.822 11.114 ( -0.744 -3.868 0.767) 4.013 11.299 ( -2.045 -7.775 -3.401) 8.729 11.910 ( -7.384 -2.539 1.089) 7.884 12.050 ( 1.602 1.947 2.093) 3.277 12.120 ( -1.153 -0.240 -0.297) 1.214 12.185 ( 5.992 1.516 0.873) 6.242 12.335 ( -4.129 -0.227 2.696) 4.936 12.544 ( 9.201 3.399 1.515) 9.925 13.195 ( 32.873 10.771 1.457) 34.624 13.309 ( -19.865 2.791 -11.766) 23.256 13.777 ( -1.550 1.341 3.758) 4.281 13.919 ( 1.547 2.344 -0.998) 2.980 14.096 ( 2.045 0.988 5.909) 6.330 14.370 ( -4.444 2.221 -4.634) 6.793 14.460 ( -5.133 1.889 -3.166) 6.319 14.524 ( 11.690 4.189 1.113) 12.468 14.737 ( 3.256 7.330 11.739) 14.218 15.014 ( -4.679 6.606 0.553) 8.114 15.280 ( 14.598 4.591 3.254) 15.645 15.356 ( -6.251 3.242 -7.514) 10.298 16.203 ( 3.308 0.003 2.118) 3.928 16.326 ( 2.568 -2.337 -1.118) 3.648 19.981 ( -3.591 -5.030 -3.279) 6.997 20.032 ( 0.667 -7.359 -5.576) 9.257 20.319 ( 2.595 0.506 3.209) 4.158 20.437 ( -1.713 0.132 -1.485) 2.271 24.499 ( 0.941 0.627 0.975) 1.493 24.585 ( -0.048 1.212 -2.002) 2.341 24.720 ( -1.743 0.336 -0.711) 1.912 24.779 ( 17.525 3.602 -0.443) 17.896 25.944 ( 1.551 -0.238 2.359) 2.834 26.149 ( -2.409 -2.626 -4.519) 5.755 26.391 ( -13.103 6.511 19.732) 24.565 26.969 ( 4.585 -1.364 -2.539) 5.416 26.980 ( -2.167 1.562 0.351) 2.694 27.036 ( 2.560 -0.228 -0.995) 2.756 27.126 ( -1.147 1.095 7.089) 7.264 27.664 ( 2.475 0.539 -6.006) 6.519 27.920 ( 0.210 -0.927 -0.396) 1.029 27.949 ( 2.530 -2.235 -2.178) 4.018 28.323 ( -1.234 -8.223 7.405) 11.134 28.494 ( -3.023 1.738 -1.630) 3.849 28.548 ( 1.402 2.678 4.241) 5.208 28.875 ( 5.642 1.192 2.813) 6.416 29.305 ( 2.078 2.179 -1.047) 3.188 29.651 ( -12.085 -19.101 -24.300) 33.187 ======================= Grid point 109 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 3.369 -15.415 10.443) 18.922 1.439 ( 12.096 -19.661 11.697) 25.879 1.565 ( -0.759 -1.734 -0.843) 2.072 1.735 ( -1.403 -3.896 -7.069) 8.192 1.896 ( 3.605 -8.537 -4.372) 10.247 1.977 ( 11.579 -5.188 -1.069) 12.733 2.175 ( 3.517 -2.633 9.838) 10.775 2.476 ( -1.097 3.008 -0.879) 3.321 2.666 ( 5.567 -11.485 3.450) 13.221 2.738 ( -3.733 -0.935 -1.657) 4.190 2.936 ( 2.404 -6.660 0.868) 7.134 3.015 ( 3.739 -2.269 1.582) 4.651 3.164 ( 1.906 -1.732 9.483) 9.826 3.210 ( -0.915 -0.405 -2.918) 3.085 3.270 ( -6.697 -5.747 -3.754) 9.590 3.349 ( 1.986 0.459 -0.003) 2.038 3.410 ( -6.815 4.107 -4.129) 8.964 3.627 ( -7.982 -5.661 0.611) 9.804 3.823 ( 3.381 3.977 -1.731) 5.500 3.863 ( 3.593 0.291 -2.621) 4.457 4.015 ( -0.453 -1.370 3.952) 4.207 4.146 ( 0.055 0.044 -7.117) 7.118 4.313 ( 0.024 -2.220 -2.462) 3.315 4.454 ( 5.627 -4.838 -4.250) 8.551 4.704 ( 3.232 10.829 4.042) 12.003 4.803 ( -1.771 2.377 -4.262) 5.191 4.943 ( -3.603 7.163 2.231) 8.323 5.044 ( -6.451 0.646 -1.956) 6.772 5.124 ( 2.158 0.132 0.592) 2.242 5.174 ( 1.104 4.074 1.992) 4.668 5.443 ( 0.873 3.624 -2.916) 4.733 5.513 ( 0.792 3.896 1.431) 4.226 5.612 ( -5.938 5.063 2.131) 8.089 5.718 ( -2.436 -1.489 5.753) 6.422 5.764 ( -5.148 1.021 -3.044) 6.067 6.158 ( 11.661 10.907 -1.339) 16.023 6.240 ( 3.593 1.731 -1.910) 4.422 6.329 ( -7.061 6.539 -8.714) 12.982 6.393 ( -0.228 0.251 7.161) 7.169 6.717 ( -1.294 2.013 7.756) 8.117 6.795 ( 0.512 2.471 -6.855) 7.305 6.946 ( -1.292 8.968 11.108) 14.335 7.073 ( 2.073 2.237 -3.288) 4.485 7.328 ( -1.062 -3.625 3.380) 5.068 7.357 ( -3.348 7.944 5.004) 9.968 7.579 ( -6.052 5.112 -4.265) 8.997 7.619 ( 0.079 2.292 -0.487) 2.345 7.699 ( -0.820 8.334 1.061) 8.441 7.829 ( -7.331 -0.522 0.745) 7.387 7.961 ( -2.223 -0.111 3.297) 3.978 8.077 ( 3.512 -4.969 0.711) 6.126 8.267 ( 9.606 7.019 2.861) 12.236 8.445 ( -1.274 8.277 -6.517) 10.612 8.568 ( -3.845 -0.301 -8.896) 9.696 8.793 ( 0.670 2.326 -0.485) 2.469 8.885 ( -0.902 -0.350 -5.285) 5.373 9.637 ( 2.143 -11.033 1.946) 11.406 9.771 ( 0.975 -9.429 -2.358) 9.768 10.403 ( -5.214 -4.802 -1.023) 7.162 10.508 ( 5.820 -4.660 1.899) 7.694 10.993 ( 4.572 -9.101 5.728) 11.685 11.124 ( 4.060 -5.056 0.673) 6.520 11.208 ( 0.913 -5.488 2.089) 5.943 11.448 ( -4.914 -8.368 -6.093) 11.458 11.925 ( -5.279 -2.989 0.265) 6.072 12.039 ( 1.161 0.676 0.689) 1.510 12.110 ( -1.633 0.077 0.976) 1.904 12.233 ( 3.037 -3.475 1.028) 4.728 12.307 ( -5.482 0.389 1.264) 5.640 12.509 ( 11.601 7.342 4.768) 14.533 13.127 ( -15.122 1.981 -8.713) 17.565 13.177 ( 11.677 5.082 0.826) 12.762 13.735 ( -1.575 1.991 2.217) 3.371 13.878 ( -0.651 2.236 -2.308) 3.279 14.089 ( 0.966 0.634 5.746) 5.861 14.284 ( -2.669 4.014 -1.689) 5.108 14.394 ( -5.672 1.341 -5.692) 8.146 14.493 ( 11.139 5.636 2.121) 12.662 14.635 ( 1.219 4.984 9.642) 10.922 14.885 ( -5.080 4.228 -1.816) 6.855 15.151 ( -9.424 6.966 -7.363) 13.840 15.306 ( 12.890 6.022 2.088) 14.380 16.261 ( 5.098 -2.484 3.369) 6.596 16.373 ( 0.453 -1.720 -1.756) 2.499 20.063 ( -2.941 -5.334 -2.511) 6.588 20.138 ( 0.076 -4.027 -2.818) 4.916 20.331 ( 2.804 0.063 3.513) 4.495 20.418 ( -2.434 0.359 -1.518) 2.891 24.487 ( 0.606 0.953 1.241) 1.678 24.551 ( -0.206 2.054 -2.063) 2.918 24.706 ( -0.590 0.274 -1.244) 1.404 24.798 ( 12.104 3.274 0.529) 12.550 25.977 ( 0.391 -2.335 2.374) 3.353 26.199 ( -1.607 -3.122 -1.590) 3.854 26.307 ( -5.785 -1.068 11.228) 12.676 26.882 ( -3.142 5.547 -1.015) 6.455 27.023 ( 2.223 -0.924 -1.313) 2.742 27.064 ( 4.510 -0.131 -0.614) 4.553 27.154 ( -0.873 -3.305 3.862) 5.158 27.640 ( 0.428 1.710 -7.760) 7.958 28.010 ( 1.824 -7.180 0.990) 7.474 28.059 ( -2.226 -8.471 -2.593) 9.134 28.415 ( -1.449 2.566 -1.881) 3.496 28.440 ( 2.491 3.151 0.349) 4.032 28.621 ( -2.602 -13.115 10.460) 16.976 28.848 ( 1.064 2.513 4.930) 5.635 29.244 ( 3.447 5.367 1.253) 6.500 29.771 ( -7.940 -2.984 -17.627) 19.562 ======================= Grid point 110 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.977 -10.050 1.542) 10.215 1.537 ( -2.686 -0.787 -0.767) 2.902 1.839 ( 2.114 -6.358 0.232) 6.704 1.893 ( 8.382 -11.878 -0.538) 14.548 2.073 ( 6.803 -11.301 -1.612) 13.288 2.128 ( 9.804 -0.583 -1.215) 9.896 2.254 ( 7.231 -7.048 8.774) 13.377 2.469 ( 5.296 -1.207 -1.959) 5.774 2.695 ( -8.376 -1.002 -3.997) 9.335 2.860 ( 2.331 -4.329 -1.298) 5.085 3.049 ( 0.750 3.653 1.909) 4.189 3.055 ( 1.793 -0.644 2.613) 3.233 3.154 ( -0.688 2.342 2.729) 3.661 3.233 ( -7.332 -4.000 -1.992) 8.587 3.297 ( -5.531 -1.033 1.123) 5.737 3.386 ( -0.231 -2.626 -2.037) 3.332 3.434 ( 4.260 -9.323 1.438) 10.350 3.723 ( -8.344 -9.469 1.631) 12.726 3.819 ( 4.660 -0.401 -4.408) 6.427 3.886 ( 5.272 0.955 -3.268) 6.276 4.049 ( -1.816 -0.750 -2.017) 2.816 4.163 ( 1.718 -1.311 -2.190) 3.076 4.335 ( 5.306 -1.151 1.558) 5.649 4.435 ( 2.978 12.637 6.261) 14.414 4.536 ( -1.760 4.424 -3.496) 5.907 4.727 ( 1.135 6.482 -6.026) 8.923 4.793 ( -4.250 4.869 3.694) 7.444 4.907 ( -4.501 7.904 5.119) 10.437 5.143 ( -2.629 1.188 0.673) 2.962 5.171 ( 0.199 -1.153 0.260) 1.198 5.261 ( -5.613 5.508 3.306) 8.531 5.441 ( -1.508 5.626 6.376) 8.636 5.510 ( -1.267 2.020 -3.110) 3.919 5.718 ( -1.518 -0.076 -0.839) 1.736 5.764 ( 0.774 -0.943 -3.646) 3.845 6.012 ( 8.718 10.570 0.229) 13.704 6.091 ( -8.900 8.396 -9.449) 15.459 6.189 ( 5.146 6.449 -3.357) 8.907 6.419 ( 1.039 -1.235 8.939) 9.084 6.658 ( 0.031 2.792 5.919) 6.545 6.756 ( -3.908 -0.144 -5.536) 6.778 6.841 ( 3.371 2.576 6.811) 8.024 7.040 ( 1.712 2.022 -4.395) 5.132 7.174 ( -4.219 7.370 2.185) 8.769 7.377 ( 3.034 1.948 5.815) 6.842 7.457 ( -2.918 2.474 -4.727) 6.081 7.524 ( -5.127 6.472 -0.920) 8.308 7.561 ( 4.821 4.445 0.501) 6.577 7.758 ( -5.900 2.821 4.806) 8.116 8.025 ( -2.629 -6.333 1.525) 7.025 8.170 ( -0.265 1.007 -3.532) 3.682 8.218 ( -4.828 -0.731 -2.088) 5.311 8.288 ( 6.286 4.985 0.075) 8.023 8.596 ( 0.285 -2.395 -2.918) 3.785 8.731 ( 2.364 3.772 0.563) 4.487 8.869 ( 1.285 2.161 -4.207) 4.901 9.852 ( 0.117 -10.096 0.183) 10.098 9.980 ( 2.993 -9.861 -0.635) 10.325 10.457 ( -6.690 -4.363 -2.109) 8.261 10.628 ( 6.781 -3.301 3.724) 8.411 11.182 ( 1.850 -7.575 0.522) 7.815 11.277 ( 6.449 -6.181 1.869) 9.127 11.337 ( 3.843 -6.261 4.686) 8.714 11.536 ( -6.271 -4.790 -7.252) 10.718 11.952 ( -5.708 -2.281 -1.307) 6.284 12.029 ( 3.180 1.887 3.768) 5.279 12.115 ( -0.031 -1.046 0.281) 1.084 12.242 ( -10.953 0.403 -3.604) 11.538 12.281 ( -1.614 2.136 -2.285) 3.520 12.467 ( 14.646 2.267 8.297) 16.985 13.037 ( -7.433 -0.448 -3.936) 8.423 13.171 ( 5.087 1.471 0.826) 5.359 13.690 ( -1.221 1.679 1.001) 2.305 13.817 ( -0.921 3.321 -2.118) 4.045 14.087 ( -0.693 0.185 3.827) 3.893 14.197 ( -0.094 3.552 1.296) 3.783 14.335 ( -7.583 0.298 -6.996) 10.321 14.457 ( 8.325 3.810 2.510) 9.493 14.566 ( 0.968 2.955 6.812) 7.488 14.773 ( -4.442 4.424 -2.184) 6.639 14.956 ( -9.323 5.917 -7.497) 13.346 15.247 ( 10.251 7.182 2.090) 12.690 16.340 ( 4.433 -2.066 2.876) 5.674 16.403 ( 0.528 -1.200 -1.730) 2.170 20.140 ( -1.736 -3.912 -1.690) 4.601 20.201 ( 0.445 -2.371 -1.202) 2.695 20.351 ( 1.322 -0.498 2.439) 2.818 20.398 ( -2.022 0.003 -0.787) 2.170 24.475 ( 0.400 0.593 1.259) 1.448 24.505 ( -0.308 2.263 -2.071) 3.083 24.701 ( -0.058 -0.073 -1.348) 1.351 24.802 ( 8.350 2.639 0.655) 8.781 26.035 ( -0.504 -3.259 2.608) 4.204 26.220 ( -0.479 0.200 6.830) 6.850 26.346 ( -5.659 -5.264 -0.384) 7.739 26.748 ( -1.847 5.912 -2.726) 6.767 27.036 ( 3.504 1.256 0.360) 3.740 27.078 ( 2.983 1.010 -1.107) 3.339 27.221 ( -0.600 -3.528 2.401) 4.309 27.618 ( -0.947 -0.070 -7.382) 7.443 28.190 ( 3.603 -8.221 3.455) 9.618 28.209 ( -3.531 -7.774 -3.440) 9.205 28.337 ( -1.189 3.573 -1.689) 4.127 28.388 ( 2.744 2.812 0.651) 3.983 28.790 ( 2.798 1.629 5.228) 6.149 28.925 ( -3.124 -14.839 4.047) 15.695 29.154 ( 1.707 5.176 3.599) 6.531 29.719 ( -6.662 2.384 -10.975) 13.059 ======================= Grid point 111 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -3.462 -5.396 -5.534) 8.469 1.559 ( 0.535 -2.230 -0.314) 2.314 1.899 ( -1.209 -2.984 -2.270) 3.939 2.106 ( 3.861 -1.277 0.625) 4.115 2.164 ( 9.364 -3.084 0.286) 9.863 2.324 ( 7.272 -7.940 0.528) 10.780 2.550 ( 1.337 -5.510 -4.737) 7.388 2.573 ( 9.454 -12.416 7.392) 17.268 2.674 ( -1.840 -1.880 -2.445) 3.591 2.888 ( -2.553 9.871 -1.679) 10.333 2.934 ( 3.227 -1.169 -2.231) 4.093 3.046 ( -2.357 0.081 3.800) 4.472 3.141 ( -1.281 -2.305 -2.500) 3.634 3.267 ( -8.313 2.004 -0.502) 8.566 3.325 ( -1.006 -8.375 2.202) 8.718 3.433 ( 2.732 -1.292 5.414) 6.201 3.602 ( 4.258 -6.074 -2.374) 7.789 3.791 ( -1.098 -1.211 -4.719) 4.994 3.879 ( 2.891 1.063 -1.712) 3.524 3.917 ( -2.782 -4.912 -3.065) 6.424 4.027 ( 0.251 3.078 -2.572) 4.019 4.109 ( -3.482 5.421 -1.585) 6.635 4.168 ( -5.765 8.640 0.996) 10.435 4.384 ( 1.455 6.632 4.553) 8.174 4.456 ( 6.965 3.639 2.546) 8.261 4.549 ( -2.600 9.390 -8.924) 13.212 4.641 ( -2.576 5.122 7.618) 9.534 4.851 ( -0.700 -3.165 6.788) 7.522 4.959 ( -7.838 6.773 4.824) 11.427 5.222 ( 1.256 -4.012 6.535) 7.771 5.281 ( -1.865 7.800 1.522) 8.163 5.323 ( -3.074 -5.996 0.934) 6.802 5.475 ( 0.254 1.782 -3.325) 3.780 5.743 ( 0.674 -1.150 -1.647) 2.119 5.762 ( -1.521 1.319 -4.401) 4.840 5.839 ( -0.004 8.448 -0.976) 8.505 5.932 ( 1.761 2.749 -0.793) 3.360 6.163 ( 9.889 1.078 -4.130) 10.771 6.435 ( 0.636 0.317 5.194) 5.242 6.626 ( 0.607 1.284 5.488) 5.669 6.747 ( -1.353 -0.247 -5.727) 5.890 6.876 ( 3.940 -3.781 2.500) 6.006 7.014 ( -1.415 1.864 -1.189) 2.625 7.037 ( -0.554 4.100 -1.524) 4.409 7.300 ( 0.834 4.962 2.602) 5.665 7.342 ( -3.760 7.627 0.830) 8.544 7.452 ( -4.273 -0.613 -3.295) 5.430 7.536 ( 1.603 1.608 -0.937) 2.456 7.718 ( -1.593 -2.769 6.894) 7.598 7.982 ( -2.354 7.313 -1.770) 7.884 8.180 ( 3.441 1.464 -0.645) 3.795 8.226 ( -3.206 -6.127 -5.960) 9.129 8.333 ( -2.196 -4.983 3.394) 6.417 8.581 ( -4.181 2.262 -5.371) 7.172 8.739 ( 6.739 -0.514 4.140) 7.926 8.813 ( 2.378 4.068 -1.509) 4.948 10.018 ( 0.283 -6.179 -0.267) 6.192 10.159 ( 2.307 -6.238 -0.270) 6.657 10.493 ( -7.132 -3.803 -3.020) 8.628 10.710 ( 6.994 -0.328 5.191) 8.716 11.305 ( -1.397 -4.790 -2.749) 5.697 11.397 ( 4.257 -2.908 0.214) 5.160 11.488 ( 3.087 -4.615 2.786) 6.212 11.591 ( -0.314 -4.633 -1.515) 4.885 11.890 ( -10.688 3.185 -5.227) 12.317 12.028 ( 8.725 2.260 8.269) 12.231 12.140 ( 0.257 -0.845 -0.728) 1.145 12.168 ( -3.678 2.350 -1.390) 4.580 12.202 ( -9.777 -0.562 -5.830) 11.398 12.557 ( 12.781 -0.484 6.828) 14.499 13.037 ( -3.477 -2.350 -0.858) 4.284 13.173 ( 3.958 1.141 1.541) 4.398 13.663 ( -0.636 0.337 0.326) 0.790 13.745 ( -0.833 3.028 -1.067) 3.317 14.059 ( -3.567 1.610 -0.091) 3.915 14.153 ( 2.596 2.131 3.164) 4.614 14.290 ( -8.937 -1.333 -7.498) 11.742 14.449 ( 6.094 1.824 2.819) 6.958 14.544 ( 0.337 -0.081 3.462) 3.480 14.657 ( -4.551 3.905 -1.637) 6.216 14.839 ( -2.822 1.564 -2.789) 4.264 15.158 ( 5.497 6.581 -0.278) 8.579 16.387 ( 1.524 -0.741 1.307) 2.140 16.428 ( 1.473 -0.825 -0.460) 1.750 20.193 ( -0.452 -2.264 -0.905) 2.479 20.232 ( 0.360 -0.663 -0.438) 0.872 20.362 ( -1.202 -0.523 -0.093) 1.314 20.397 ( 0.163 -0.288 1.019) 1.071 24.461 ( -0.229 1.832 -2.043) 2.753 24.473 ( 0.319 -0.137 1.144) 1.196 24.705 ( -0.472 -0.512 -1.214) 1.400 24.797 ( 4.864 2.017 0.596) 5.300 26.093 ( -1.005 -2.851 3.338) 4.504 26.211 ( 0.486 0.909 6.720) 6.798 26.397 ( -6.351 -2.858 -1.677) 7.163 26.656 ( 1.837 2.684 -4.234) 5.339 27.021 ( 2.957 2.077 0.506) 3.649 27.068 ( 1.209 0.970 -1.185) 1.951 27.279 ( -0.525 -2.489 2.090) 3.293 27.620 ( -0.802 -0.727 -6.533) 6.623 28.243 ( -1.665 0.775 -0.523) 1.909 28.270 ( 0.895 2.416 -0.150) 2.580 28.361 ( -2.064 -4.932 -0.843) 5.412 28.412 ( 5.178 -3.586 2.409) 6.743 28.783 ( 0.673 -0.065 4.178) 4.233 29.049 ( -0.870 3.639 -2.509) 4.505 29.210 ( 0.413 -11.614 5.511) 12.861 29.608 ( -4.517 4.698 -5.628) 8.611 ======================= Grid point 112 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -2.333 1.368 -6.648) 7.177 1.599 ( 2.079 -0.972 -1.676) 2.842 1.948 ( -3.481 -1.863 -1.394) 4.187 2.097 ( 3.460 1.987 -0.770) 4.063 2.282 ( 2.069 -2.684 1.144) 3.577 2.406 ( 0.131 2.189 1.269) 2.534 2.590 ( -3.196 1.659 -3.801) 5.236 2.641 ( -0.226 5.280 -4.901) 7.208 2.707 ( -1.116 1.596 -2.986) 3.565 2.879 ( 2.542 -4.630 7.000) 8.769 2.903 ( 5.061 -1.133 -1.647) 5.442 3.114 ( -8.842 3.658 -0.362) 9.576 3.172 ( 0.681 -9.304 5.951) 11.066 3.221 ( 0.938 -3.998 -5.164) 6.597 3.392 ( 1.537 7.548 6.513) 10.087 3.471 ( 6.629 -0.346 7.158) 9.762 3.710 ( -1.335 2.366 -1.912) 3.322 3.831 ( -1.779 -4.464 -4.270) 6.429 3.857 ( -3.865 3.931 -9.142) 10.676 3.898 ( -1.371 2.246 -2.195) 3.426 3.946 ( 3.518 -6.351 -2.487) 7.675 4.023 ( -0.563 0.100 -1.903) 1.986 4.076 ( -1.111 0.588 -2.615) 2.901 4.272 ( 0.019 5.364 5.141) 7.430 4.403 ( 0.809 -0.819 -4.517) 4.662 4.444 ( -0.165 -1.787 7.388) 7.602 4.649 ( 1.566 -2.275 4.513) 5.291 4.845 ( -5.090 1.136 4.099) 6.633 4.906 ( -0.335 -0.762 5.708) 5.768 5.191 ( 0.421 1.030 -1.738) 2.064 5.256 ( 0.877 2.946 5.732) 6.504 5.393 ( -0.712 -2.779 4.194) 5.081 5.484 ( -2.297 -5.584 0.957) 6.113 5.631 ( -5.397 5.097 -5.892) 9.478 5.747 ( -1.623 0.840 -3.153) 3.644 5.772 ( 0.315 1.559 -0.939) 1.847 6.002 ( 6.480 -3.833 0.649) 7.557 6.219 ( 12.299 0.211 -0.264) 12.304 6.422 ( 1.017 1.667 3.652) 4.141 6.610 ( -0.264 0.944 5.401) 5.490 6.759 ( 3.460 -0.852 -5.200) 6.303 6.935 ( -5.503 1.592 1.029) 5.820 7.006 ( 0.880 -5.960 -4.803) 7.705 7.020 ( 3.411 0.209 -0.502) 3.454 7.172 ( -9.660 3.102 -0.715) 10.171 7.248 ( 2.657 1.953 3.574) 4.863 7.415 ( -7.405 0.482 -3.878) 8.373 7.513 ( -2.584 -0.672 -1.569) 3.097 7.803 ( -1.255 2.456 4.004) 4.862 7.875 ( 5.941 -2.932 1.942) 6.904 8.182 ( 4.272 0.425 0.941) 4.395 8.272 ( 6.100 1.845 -1.901) 6.650 8.442 ( -6.124 -5.816 -2.164) 8.718 8.524 ( -6.342 -2.419 -3.838) 7.798 8.700 ( 2.160 5.764 -0.628) 6.187 8.818 ( 3.003 -1.025 3.436) 4.677 10.074 ( 0.204 0.730 -0.540) 0.931 10.235 ( 1.282 -0.104 0.152) 1.296 10.515 ( -5.900 -2.465 -3.841) 7.459 10.725 ( 5.829 2.668 5.468) 8.426 11.351 ( -3.957 -1.710 -3.095) 5.307 11.441 ( 1.358 1.040 0.154) 1.717 11.505 ( -2.849 2.097 -1.654) 3.905 11.708 ( 4.883 -3.077 3.078) 6.541 11.771 ( -6.255 0.913 -3.256) 7.111 12.022 ( 6.008 2.956 5.051) 8.387 12.125 ( -1.201 -0.009 -1.363) 1.816 12.168 ( -5.013 -3.183 -1.479) 6.120 12.175 ( -3.461 -0.554 -3.900) 5.243 12.609 ( 10.244 2.936 5.849) 12.156 13.065 ( -2.929 -2.275 -0.499) 3.742 13.186 ( 6.011 0.337 3.661) 7.046 13.667 ( -0.873 -0.582 -0.102) 1.054 13.703 ( 0.109 0.265 -0.285) 0.404 13.999 ( -4.316 1.283 -3.526) 5.719 14.134 ( 2.940 1.780 2.609) 4.315 14.273 ( -7.889 -2.201 -6.305) 10.336 14.447 ( 2.421 1.418 2.017) 3.455 14.548 ( 0.031 0.290 -0.412) 0.504 14.614 ( 0.433 -1.272 2.224) 2.598 14.862 ( 1.490 -4.181 2.172) 4.941 15.071 ( 0.853 3.745 -3.724) 5.350 16.391 ( -0.955 0.512 0.431) 1.166 16.448 ( 0.823 -0.438 0.317) 0.985 20.217 ( -0.565 -0.502 -1.421) 1.610 20.242 ( 0.970 -0.198 1.039) 1.436 20.357 ( -1.314 0.372 -1.162) 1.793 20.403 ( 0.912 0.109 1.397) 1.672 24.432 ( 0.087 1.009 -1.647) 1.933 24.486 ( 0.230 -1.046 0.728) 1.295 24.712 ( -1.806 -0.837 -1.203) 2.326 24.784 ( 1.519 1.210 0.535) 2.014 26.133 ( 0.224 -1.226 4.477) 4.647 26.193 ( -1.039 1.125 5.353) 5.568 26.387 ( -0.002 0.870 -2.040) 2.218 26.657 ( 0.442 -1.448 -4.215) 4.478 26.999 ( 0.204 0.932 -0.039) 0.954 27.063 ( 0.205 -0.235 -0.729) 0.793 27.306 ( -0.134 -0.241 2.149) 2.167 27.620 ( 0.450 0.479 -6.360) 6.393 28.222 ( -0.928 -0.077 -0.481) 1.048 28.246 ( 0.940 0.494 0.045) 1.063 28.376 ( -3.725 0.204 -1.772) 4.130 28.529 ( 5.662 -3.216 5.571) 8.570 28.783 ( -2.043 1.145 2.481) 3.412 28.970 ( -0.450 3.017 -1.571) 3.431 29.354 ( -1.190 0.817 -1.569) 2.132 29.541 ( 1.347 -2.868 0.161) 3.172 ======================= Grid point 113 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.897 3.069 -5.144) 6.057 1.590 ( 2.220 3.929 -0.655) 4.560 1.916 ( -2.729 2.481 -1.003) 3.822 2.057 ( 0.598 3.908 -1.327) 4.170 2.243 ( -4.514 6.448 4.340) 8.988 2.296 ( -6.292 5.943 -0.961) 8.708 2.368 ( -11.067 10.439 -1.194) 15.260 2.561 ( -0.282 3.844 -7.403) 8.346 2.727 ( 5.444 0.766 1.620) 5.731 2.886 ( 1.621 -0.964 -1.421) 2.361 3.003 ( 2.367 2.579 -4.442) 5.655 3.077 ( -0.068 -5.319 6.105) 8.097 3.197 ( -5.069 7.672 5.650) 10.792 3.246 ( -8.149 -0.741 3.172) 8.776 3.337 ( 3.629 -2.976 1.868) 5.051 3.450 ( 6.747 6.287 -0.791) 9.256 3.551 ( 2.744 6.707 0.481) 7.263 3.747 ( -6.370 1.285 -12.469) 14.061 3.882 ( 1.179 0.893 1.971) 2.465 3.951 ( -1.600 -6.309 -3.681) 7.477 4.069 ( 3.531 0.864 -1.050) 3.783 4.080 ( -1.618 -5.032 -2.630) 5.904 4.218 ( 2.564 -4.052 4.390) 6.501 4.281 ( 3.990 -14.862 -3.046) 15.687 4.504 ( 1.140 -6.863 -4.806) 8.455 4.526 ( -0.510 0.581 9.480) 9.511 4.688 ( 0.490 -4.599 5.462) 7.158 4.848 ( 1.841 -1.305 2.683) 3.506 4.922 ( 0.431 -4.577 3.950) 6.061 5.181 ( -1.281 1.029 0.484) 1.713 5.225 ( 3.858 0.287 2.665) 4.698 5.416 ( -0.762 2.722 4.894) 5.651 5.560 ( -3.554 -1.237 -1.884) 4.209 5.605 ( -4.240 -7.824 1.323) 8.997 5.756 ( 1.308 -3.641 -2.728) 4.734 5.785 ( -1.685 -5.156 -2.891) 6.147 6.018 ( -0.945 3.585 -10.133) 10.790 6.303 ( 5.546 -1.034 1.004) 5.730 6.409 ( 8.285 1.851 9.197) 12.516 6.579 ( -0.546 1.956 2.498) 3.219 6.772 ( 3.047 2.967 1.973) 4.688 6.927 ( -1.595 -3.556 2.063) 4.409 7.012 ( -6.193 -2.210 -3.499) 7.449 7.046 ( -2.513 -1.996 -7.784) 8.420 7.238 ( 6.111 -6.253 0.351) 8.751 7.285 ( -2.950 -6.443 4.593) 8.445 7.373 ( -6.756 -1.748 -2.454) 7.397 7.548 ( -2.699 -4.829 -2.005) 5.884 7.708 ( 5.793 6.185 3.568) 9.194 8.008 ( -0.440 -5.190 1.135) 5.331 8.198 ( 3.531 2.492 -1.546) 4.590 8.249 ( 6.736 3.418 -0.499) 7.570 8.458 ( -0.874 -2.092 0.816) 2.410 8.579 ( -3.104 1.481 -1.751) 3.859 8.645 ( -0.340 -4.580 -1.907) 4.972 8.841 ( -2.082 -1.209 0.809) 2.540 9.997 ( 0.126 6.879 -0.597) 6.906 10.172 ( -0.480 6.609 -0.102) 6.627 10.511 ( -3.545 -0.218 -3.404) 4.920 10.696 ( 4.728 3.784 5.765) 8.361 11.305 ( -6.445 3.495 -3.628) 8.180 11.329 ( -4.332 7.936 0.280) 9.046 11.437 ( 0.023 3.724 0.043) 3.724 11.734 ( -6.147 -3.689 -3.684) 8.060 11.801 ( 10.347 1.871 6.175) 12.194 11.996 ( -3.172 1.761 -2.889) 4.638 12.122 ( -0.082 -0.889 -1.234) 1.523 12.153 ( -2.581 0.122 -3.566) 4.404 12.244 ( 0.038 -5.054 1.857) 5.384 12.568 ( 6.898 6.701 5.031) 10.854 13.090 ( -2.476 -2.164 -1.088) 3.464 13.240 ( 8.462 -1.186 6.140) 10.522 13.659 ( -1.408 0.076 -0.068) 1.412 13.744 ( 0.493 -3.270 -1.143) 3.499 13.980 ( -0.812 -1.519 -4.301) 4.634 14.121 ( 3.790 1.714 2.833) 5.033 14.273 ( -8.238 -3.375 -5.765) 10.606 14.434 ( 0.067 0.270 1.259) 1.289 14.556 ( 3.831 0.514 4.049) 5.598 14.676 ( 0.576 -4.483 -0.845) 4.598 14.982 ( -0.692 -4.432 -0.644) 4.531 15.048 ( 1.303 -3.470 -2.034) 4.227 16.355 ( -2.753 1.963 0.291) 3.394 16.455 ( -0.638 -0.162 0.455) 0.800 20.213 ( -0.458 0.470 -1.658) 1.783 20.246 ( 1.126 0.595 1.631) 2.069 20.324 ( -1.006 2.305 -1.319) 2.840 20.409 ( 1.381 -0.102 1.115) 1.778 24.422 ( 0.468 0.044 -1.158) 1.250 24.516 ( 0.205 -1.779 0.362) 1.827 24.713 ( -3.802 -0.966 -1.669) 4.263 24.770 ( -1.112 0.274 0.668) 1.326 26.111 ( 0.596 3.918 3.209) 5.100 26.197 ( -1.466 -2.376 7.134) 7.661 26.376 ( 5.864 2.265 -2.743) 6.858 26.695 ( -1.149 -2.875 -2.983) 4.299 26.992 ( -1.859 -0.700 -0.314) 2.011 27.075 ( -1.218 -1.010 -0.844) 1.793 27.290 ( 0.142 1.850 2.517) 3.127 27.602 ( 1.983 1.664 -7.074) 7.533 28.219 ( -0.125 1.554 -0.281) 1.584 28.265 ( 0.072 -2.054 -0.508) 2.117 28.339 ( -3.298 -0.073 -0.043) 3.299 28.591 ( 5.693 2.298 8.562) 10.536 28.680 ( -6.877 4.732 -4.319) 9.399 28.950 ( 3.102 0.325 0.841) 3.231 29.230 ( -2.174 7.364 1.188) 7.769 29.679 ( 4.643 -6.550 -2.679) 8.464 ======================= Grid point 114 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.273 10.438 1.634) 10.807 1.515 ( 2.349 3.148 -2.703) 4.769 1.752 ( -0.883 16.771 4.630) 17.421 1.942 ( -1.688 6.459 -4.966) 8.320 2.058 ( -10.540 2.364 -0.514) 10.814 2.104 ( -5.830 9.121 -0.796) 10.854 2.200 ( -7.287 1.397 4.036) 8.447 2.507 ( -1.943 0.281 -3.228) 3.778 2.719 ( 6.124 2.734 -1.359) 6.843 2.898 ( 1.988 2.654 -1.582) 3.674 2.958 ( 2.467 8.381 3.775) 9.517 3.017 ( -4.552 1.003 -2.224) 5.164 3.179 ( -4.058 1.928 3.867) 5.928 3.200 ( -3.533 -2.536 5.820) 7.265 3.297 ( 2.039 4.644 -1.037) 5.177 3.399 ( 1.727 1.977 -1.889) 3.235 3.542 ( 8.398 0.270 5.218) 9.891 3.684 ( -4.725 1.981 -11.563) 12.648 3.849 ( 0.215 2.179 0.568) 2.262 3.987 ( -2.268 4.384 0.976) 5.032 4.071 ( 2.643 -3.169 -4.794) 6.325 4.164 ( -7.352 -3.500 -2.051) 8.398 4.301 ( -0.434 -1.200 8.050) 8.150 4.394 ( -1.770 -2.229 2.130) 3.555 4.584 ( 0.268 -3.219 -6.344) 7.119 4.683 ( 2.732 -12.697 -0.277) 12.990 4.855 ( 6.103 -4.268 5.530) 9.276 4.884 ( -0.620 -4.120 -0.085) 4.167 5.109 ( 5.260 -8.226 4.788) 10.875 5.184 ( 3.346 -0.962 -0.035) 3.482 5.243 ( 1.736 -2.304 -3.661) 4.661 5.355 ( -1.339 1.354 6.169) 6.456 5.619 ( 1.140 -5.104 2.351) 5.734 5.718 ( -9.092 -6.298 -6.024) 12.594 5.785 ( -0.078 -1.870 2.965) 3.506 5.940 ( -2.493 -0.915 -8.438) 8.846 6.000 ( 4.392 -10.038 -5.601) 12.305 6.322 ( -2.005 -1.553 1.658) 3.030 6.419 ( 6.774 2.206 6.485) 9.633 6.571 ( 3.454 -0.402 -0.195) 3.483 6.733 ( 1.349 1.617 6.010) 6.368 6.968 ( -8.907 -4.611 -0.649) 10.051 7.039 ( -0.996 -1.364 -2.804) 3.274 7.167 ( 5.157 -7.489 -1.799) 9.269 7.338 ( 4.155 -2.319 5.386) 7.187 7.444 ( -1.165 -8.374 -1.728) 8.629 7.459 ( -2.499 -10.171 0.517) 10.486 7.637 ( 10.368 1.765 2.810) 10.886 7.687 ( -3.387 -7.405 -0.676) 8.171 8.054 ( -2.336 -0.363 0.702) 2.466 8.083 ( 0.711 8.434 -3.690) 9.233 8.235 ( -1.423 0.461 0.984) 1.791 8.516 ( 5.790 0.379 5.175) 7.775 8.564 ( -3.563 -5.733 -2.289) 7.128 8.753 ( 1.513 -4.565 -4.023) 6.270 8.853 ( -4.944 -2.418 -3.617) 6.586 9.823 ( 0.235 10.617 -0.379) 10.626 9.999 ( -1.929 9.456 -0.053) 9.651 10.477 ( -1.750 1.915 -2.671) 3.723 10.630 ( 2.190 5.657 4.923) 7.812 11.124 ( -3.360 9.551 1.591) 10.249 11.178 ( -4.774 5.271 -2.255) 7.461 11.345 ( -0.688 5.524 0.723) 5.614 11.756 ( 3.948 7.314 2.249) 8.611 11.786 ( -2.239 -2.234 -1.340) 3.435 11.944 ( -0.930 -0.187 -3.629) 3.751 12.123 ( -0.866 0.504 -0.934) 1.370 12.165 ( 1.770 -1.331 -2.503) 3.342 12.345 ( -1.432 -4.999 1.777) 5.495 12.438 ( 2.748 9.455 4.080) 10.658 13.114 ( -2.091 -1.260 -2.708) 3.646 13.345 ( 7.342 -4.412 6.297) 10.632 13.655 ( -0.345 -0.327 0.869) 0.991 13.816 ( 0.472 -3.649 -2.404) 4.395 14.029 ( 4.911 -0.889 -0.373) 5.004 14.130 ( 1.367 -2.162 -0.075) 2.558 14.312 ( -6.929 -5.481 -4.191) 9.778 14.443 ( -0.139 -1.093 1.194) 1.624 14.572 ( 2.156 -0.273 5.648) 6.052 14.788 ( 4.153 -5.201 -1.519) 6.826 15.008 ( -5.960 -3.195 -7.994) 10.470 15.208 ( 3.100 -8.199 3.270) 9.356 16.286 ( -3.627 2.960 0.618) 4.722 16.443 ( -1.707 0.848 0.247) 1.922 20.184 ( 0.113 2.474 -2.512) 3.528 20.244 ( 3.083 2.148 3.443) 5.096 20.253 ( -2.928 2.216 -2.404) 4.389 20.426 ( 1.368 -0.549 0.570) 1.580 24.433 ( 0.848 -0.739 -0.611) 1.280 24.556 ( 0.243 -2.022 0.069) 2.038 24.702 ( -5.839 -1.035 -2.457) 6.419 24.762 ( -2.654 -0.481 0.981) 2.870 26.030 ( 0.416 4.324 1.620) 4.636 26.244 ( -1.375 -2.409 9.361) 9.764 26.354 ( 5.385 3.152 -1.183) 6.351 26.760 ( 1.540 -3.778 -2.534) 4.803 26.999 ( -2.341 -1.110 -0.798) 2.711 27.075 ( -2.108 0.155 -0.952) 2.318 27.246 ( -0.614 2.463 3.213) 4.095 27.584 ( 3.205 1.092 -8.301) 8.965 28.126 ( -1.089 6.607 0.213) 6.700 28.315 ( 1.118 -1.826 -0.533) 2.207 28.353 ( -2.204 1.496 0.627) 2.736 28.429 ( -2.353 6.740 -0.967) 7.204 28.641 ( 1.833 1.720 2.414) 3.485 28.938 ( 3.186 4.640 8.674) 10.340 29.127 ( -2.979 -0.468 -2.289) 3.786 29.820 ( 4.671 -5.006 -6.680) 9.566 ======================= Grid point 115 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.700 17.578 8.118) 19.437 1.253 ( -2.261 24.085 7.828) 25.426 1.553 ( 1.086 1.351 -0.402) 1.780 1.789 ( -2.765 11.433 -1.449) 11.852 1.889 ( -3.396 7.877 -1.792) 8.763 2.012 ( -11.011 -1.100 -5.127) 12.196 2.175 ( -1.565 -0.955 6.442) 6.698 2.514 ( -2.494 -0.407 0.939) 2.696 2.617 ( -7.962 11.060 0.076) 13.628 2.760 ( 10.521 2.935 -0.953) 10.964 2.869 ( 1.727 3.991 1.094) 4.484 2.927 ( -0.412 5.710 0.560) 5.752 3.178 ( -0.617 -4.048 0.096) 4.096 3.190 ( -2.239 1.643 9.138) 9.551 3.313 ( -2.050 1.627 0.319) 2.637 3.348 ( 4.804 0.203 -3.945) 6.219 3.533 ( -2.477 2.385 -3.539) 4.934 3.667 ( 3.130 -0.394 -1.634) 3.553 3.830 ( -2.588 -1.105 1.928) 3.411 3.907 ( -2.439 1.563 2.348) 3.728 4.071 ( -2.147 -0.755 2.084) 3.086 4.159 ( -3.123 0.298 -5.990) 6.762 4.344 ( 0.223 2.144 -2.599) 3.377 4.388 ( -0.475 5.810 -4.075) 7.112 4.612 ( -0.114 -7.654 -3.118) 8.266 4.871 ( -2.660 -5.791 -3.214) 7.137 4.945 ( 5.153 -3.947 2.637) 7.006 5.033 ( 0.369 -4.743 0.350) 4.770 5.179 ( 2.334 -1.470 1.186) 3.002 5.196 ( -1.193 -1.228 2.328) 2.890 5.340 ( 2.594 0.056 -0.166) 2.600 5.433 ( 3.687 -8.604 0.754) 9.391 5.700 ( -2.305 -2.936 1.233) 3.931 5.841 ( 4.027 -3.855 6.856) 8.836 5.849 ( -4.098 -10.043 -3.788) 11.489 5.961 ( -3.266 -2.323 -1.842) 4.411 6.168 ( 2.685 -4.912 -6.516) 8.591 6.365 ( 0.929 -2.257 2.842) 3.746 6.421 ( 2.348 0.859 -1.264) 2.802 6.642 ( 4.421 -3.682 4.186) 7.115 6.743 ( 3.606 -1.497 2.565) 4.671 6.998 ( -5.748 -2.873 -1.599) 6.622 7.065 ( -1.570 -2.526 0.813) 3.083 7.308 ( 4.047 -3.831 4.442) 7.127 7.412 ( 1.312 -2.956 2.586) 4.141 7.559 ( 1.114 -3.583 -1.033) 3.892 7.601 ( 4.793 -1.347 -0.269) 4.986 7.769 ( 5.745 -3.345 2.254) 7.020 7.821 ( -1.056 -8.767 1.734) 8.999 7.969 ( -0.860 -0.082 0.740) 1.138 8.021 ( -1.159 -1.197 -0.350) 1.702 8.263 ( -6.606 -6.946 -0.008) 9.586 8.575 ( 1.108 -4.118 -1.809) 4.632 8.659 ( -6.178 -5.387 -2.646) 8.613 8.818 ( 0.334 -1.482 0.026) 1.519 8.877 ( 1.485 -1.316 -10.550) 10.735 9.596 ( -0.283 12.556 0.247) 12.561 9.811 ( -2.412 7.775 -0.194) 8.143 10.417 ( -0.228 3.377 -2.051) 3.958 10.509 ( -1.257 6.680 3.070) 7.458 10.924 ( -0.876 9.555 4.623) 10.650 11.075 ( -1.263 3.116 -1.362) 3.627 11.229 ( -1.157 5.351 0.910) 5.550 11.555 ( -1.150 12.032 -1.949) 12.243 11.818 ( 2.336 -0.860 3.462) 4.264 11.993 ( 4.305 -2.936 -2.216) 5.663 12.113 ( -0.335 0.284 -0.401) 0.595 12.192 ( 3.612 1.667 -1.128) 4.135 12.263 ( 2.795 7.735 3.790) 9.055 12.405 ( -4.000 -2.148 -0.152) 4.542 13.099 ( -4.626 0.521 -3.900) 6.073 13.478 ( -2.035 -6.085 -1.048) 6.501 13.680 ( 4.883 -1.092 6.068) 7.865 13.878 ( 0.938 -2.087 -3.478) 4.163 14.045 ( 3.328 0.858 4.410) 5.591 14.241 ( 3.592 -6.580 -3.850) 8.427 14.385 ( -4.776 -5.140 -2.792) 7.552 14.478 ( -0.720 -2.743 1.267) 3.106 14.604 ( 0.976 -1.860 6.619) 6.944 14.914 ( 10.244 -2.949 -0.861) 10.695 15.048 ( -8.101 -5.684 -6.037) 11.592 15.365 ( -0.653 -6.491 0.985) 6.598 16.211 ( -2.556 2.345 1.377) 3.732 16.397 ( -2.013 2.716 -0.200) 3.387 20.117 ( 0.407 4.511 -3.271) 5.587 20.144 ( -0.028 5.607 -1.722) 5.866 20.266 ( 0.805 -1.012 2.080) 2.449 20.443 ( 0.640 -0.474 -0.100) 0.803 24.458 ( 1.211 -1.072 -0.166) 1.626 24.593 ( 0.167 -1.585 -0.195) 1.606 24.682 ( -6.833 -1.038 -2.686) 7.415 24.757 ( -3.280 -0.757 1.098) 3.541 25.959 ( 0.788 3.125 0.690) 3.296 26.244 ( -1.367 2.194 -0.125) 2.588 26.365 ( -0.128 -3.464 14.317) 14.730 26.847 ( 5.504 -2.633 -2.975) 6.788 27.003 ( -1.442 -0.555 -1.551) 2.189 27.043 ( -2.225 1.447 -0.653) 2.733 27.189 ( -1.918 2.793 4.135) 5.346 27.596 ( 3.972 -0.340 -8.952) 9.800 27.991 ( -0.584 5.765 0.318) 5.803 28.115 ( -1.448 12.674 -2.068) 12.923 28.361 ( 2.390 0.214 -0.623) 2.479 28.457 ( 0.501 -2.716 0.482) 2.804 28.578 ( 2.319 5.417 7.116) 9.239 28.864 ( -1.735 2.169 7.324) 7.833 29.182 ( 0.050 -4.595 -3.764) 5.940 29.911 ( 1.283 -2.222 -12.247) 12.513 ======================= Grid point 116 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 2.345 18.015 17.785) 25.424 0.797 ( 3.265 21.922 19.622) 29.602 1.291 ( -1.447 29.531 25.902) 39.307 1.570 ( -1.941 0.706 -3.742) 4.274 1.787 ( -2.606 1.770 -4.610) 5.584 1.965 ( -10.050 -1.092 -14.359) 17.561 2.193 ( -6.868 -1.804 2.249) 7.448 2.406 ( 3.292 1.549 0.660) 3.698 2.600 ( -0.975 -3.934 5.102) 6.516 2.792 ( 6.660 5.312 4.186) 9.492 2.828 ( 2.041 0.045 -3.302) 3.882 2.854 ( 0.751 -1.538 -2.713) 3.208 3.133 ( -3.194 3.485 1.049) 4.842 3.190 ( -0.407 3.196 2.387) 4.009 3.270 ( 5.105 0.165 4.529) 6.827 3.389 ( -6.147 -1.230 -4.473) 7.701 3.490 ( -1.404 -0.569 -4.585) 4.829 3.630 ( -5.298 3.318 -1.572) 6.446 3.859 ( -0.748 -2.122 8.912) 9.191 3.932 ( 2.086 -2.660 0.036) 3.381 4.082 ( -2.642 0.590 -3.986) 4.818 4.125 ( 2.266 0.447 -8.049) 8.374 4.225 ( -0.422 1.825 0.362) 1.908 4.322 ( -1.456 3.605 -2.629) 4.693 4.776 ( 2.907 -5.775 -5.088) 8.228 4.907 ( -2.852 -0.304 -1.671) 3.319 5.014 ( 3.381 1.111 -2.893) 4.586 5.078 ( 0.802 -3.355 2.165) 4.073 5.164 ( -4.844 1.050 -0.613) 4.995 5.298 ( -1.506 -6.489 1.281) 6.784 5.379 ( 6.283 -0.879 -3.235) 7.122 5.534 ( 0.235 -0.816 -2.016) 2.188 5.731 ( -2.747 -0.225 3.999) 4.857 5.896 ( -5.584 4.362 5.556) 9.004 5.943 ( -4.240 -13.144 8.715) 16.331 6.129 ( 7.114 -11.462 -1.220) 13.545 6.274 ( -0.859 -5.212 -7.873) 9.481 6.364 ( 4.277 2.697 -0.493) 5.080 6.446 ( -2.925 -2.785 -0.584) 4.081 6.691 ( 3.634 0.769 11.353) 11.945 6.829 ( 1.600 -2.739 -7.216) 7.883 7.033 ( 1.427 -2.778 -0.731) 3.208 7.127 ( -0.294 -4.190 4.253) 5.978 7.347 ( -1.910 0.511 8.732) 8.953 7.453 ( -0.369 3.334 -2.069) 3.941 7.528 ( 2.741 3.960 2.313) 5.343 7.647 ( 5.072 -0.386 3.872) 6.393 7.818 ( 5.293 -4.500 -1.035) 7.024 7.893 ( 2.649 0.955 3.555) 4.535 8.081 ( -8.525 -5.232 -3.320) 10.539 8.143 ( -5.870 -9.683 -2.141) 11.524 8.431 ( -3.944 -12.591 -2.414) 13.414 8.645 ( -4.692 -2.576 -9.339) 10.764 8.686 ( -5.510 -2.208 -4.363) 7.367 8.799 ( -1.873 3.845 -6.664) 7.919 8.906 ( 1.882 -0.623 -4.449) 4.870 9.342 ( 0.511 12.584 1.485) 12.681 9.681 ( -3.377 3.790 -1.784) 5.381 10.350 ( 1.612 3.467 -1.028) 3.959 10.390 ( -2.829 3.602 1.907) 4.961 10.758 ( 1.148 7.214 6.468) 9.757 11.032 ( 0.146 1.261 -1.490) 1.957 11.131 ( -1.809 3.735 0.530) 4.183 11.324 ( -1.478 9.223 -2.571) 9.688 11.894 ( 10.638 -3.716 10.209) 15.205 12.041 ( -0.479 3.659 3.499) 5.085 12.093 ( 6.179 -1.139 -0.156) 6.285 12.144 ( 0.025 -0.673 -0.349) 0.758 12.272 ( 19.350 1.590 1.452) 19.469 12.378 ( -0.260 3.022 0.162) 3.037 13.039 ( -7.392 1.451 -4.023) 8.540 13.522 ( -12.066 -3.118 -7.904) 14.757 13.754 ( 5.747 -1.768 8.931) 10.767 13.904 ( 1.450 -0.409 -3.191) 3.528 14.064 ( 2.308 -0.658 5.373) 5.885 14.388 ( 7.468 -4.532 -3.194) 9.301 14.437 ( -5.119 -3.415 -3.900) 7.285 14.528 ( -4.271 -3.014 0.975) 5.317 14.678 ( 4.317 -4.806 10.345) 12.196 15.012 ( 13.407 0.182 -0.483) 13.417 15.127 ( -3.022 -5.615 0.522) 6.398 15.446 ( -4.743 -3.629 -2.048) 6.313 16.183 ( -0.462 -0.535 1.506) 1.664 16.316 ( -0.828 4.329 -0.305) 4.418 20.017 ( 1.273 6.188 -4.388) 7.692 20.023 ( -0.795 6.753 -4.447) 8.125 20.293 ( 1.222 -0.820 2.416) 2.829 20.450 ( -0.256 -0.141 -0.750) 0.805 24.485 ( 1.364 -0.682 0.109) 1.529 24.612 ( -2.517 -0.732 -1.354) 2.950 24.664 ( -1.692 -0.362 -0.230) 1.745 24.750 ( -3.215 -0.506 0.862) 3.367 25.925 ( 1.343 0.886 0.809) 1.801 26.182 ( -2.259 2.284 -3.088) 4.455 26.518 ( -9.487 -15.813 22.255) 28.903 26.906 ( 6.403 0.525 -3.579) 7.354 27.005 ( -1.555 -0.264 -1.341) 2.070 27.011 ( 0.098 -0.132 0.089) 0.187 27.133 ( -0.942 1.142 6.745) 6.905 27.621 ( 5.589 0.953 -8.096) 9.884 27.905 ( 2.460 6.590 -0.975) 7.101 27.927 ( 0.491 2.097 -0.197) 2.163 28.300 ( 3.587 6.912 6.693) 10.268 28.472 ( 6.586 3.041 0.369) 7.263 28.548 ( -2.026 -1.533 1.552) 2.977 28.829 ( 0.176 2.202 1.220) 2.523 29.271 ( 2.562 -3.453 -2.246) 4.851 29.847 ( -12.429 7.987 -21.652) 26.212 ======================= Grid point 118 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 5.870 -0.000 28.118) 28.724 0.689 ( 18.059 -0.000 24.107) 30.121 1.403 ( 37.201 -0.000 39.748) 54.441 1.545 ( -0.526 0.000 -5.144) 5.170 1.779 ( -8.609 0.000 -17.172) 19.209 1.842 ( 8.833 -0.000 -4.275) 9.813 2.050 ( -2.286 0.000 -3.775) 4.413 2.528 ( -10.920 0.000 -3.325) 11.415 2.561 ( 5.836 -0.000 6.163) 8.487 2.769 ( 4.648 -0.000 6.872) 8.297 2.892 ( 5.046 -0.000 -1.291) 5.209 2.995 ( -1.309 0.000 -12.166) 12.237 2.998 ( -2.578 0.000 -5.452) 6.031 3.031 ( -8.788 0.000 3.990) 9.651 3.248 ( -0.812 0.000 2.378) 2.513 3.394 ( 6.724 -0.000 7.680) 10.208 3.494 ( -1.649 0.000 -1.859) 2.485 3.525 ( -0.013 0.000 -1.943) 1.943 3.892 ( 0.525 -0.000 4.658) 4.687 4.034 ( -4.091 0.000 2.994) 5.070 4.039 ( 2.132 -0.000 -2.086) 2.983 4.103 ( -5.451 0.000 -1.908) 5.775 4.120 ( 0.138 -0.000 -8.526) 8.527 4.373 ( 7.162 -0.000 1.604) 7.340 4.778 ( -4.348 0.000 -4.456) 6.226 4.893 ( -4.830 0.000 -4.198) 6.400 5.017 ( 2.242 -0.000 -7.293) 7.630 5.124 ( 3.656 -0.000 4.375) 5.702 5.197 ( 5.788 -0.000 1.105) 5.892 5.346 ( 0.598 -0.000 -3.423) 3.475 5.433 ( -7.181 0.000 -5.110) 8.814 5.492 ( 4.697 -0.000 -5.060) 6.904 5.657 ( -6.668 0.000 12.361) 14.045 5.747 ( -5.029 0.000 7.050) 8.660 5.828 ( -17.658 0.000 4.815) 18.303 6.260 ( -1.666 0.000 -3.593) 3.961 6.404 ( -0.304 0.000 1.436) 1.467 6.445 ( 6.961 -0.000 2.944) 7.558 6.473 ( 3.682 -0.000 -11.639) 12.208 6.711 ( -2.020 0.000 1.313) 2.409 6.889 ( 5.853 -0.000 2.746) 6.465 7.099 ( -3.232 0.000 -1.581) 3.598 7.234 ( 0.497 -0.000 4.254) 4.283 7.248 ( -1.510 0.000 2.958) 3.321 7.339 ( -12.416 0.000 -2.828) 12.734 7.378 ( 8.349 -0.000 4.506) 9.487 7.687 ( -15.453 0.000 9.465) 18.121 7.735 ( 3.877 -0.000 6.074) 7.206 7.865 ( -6.109 0.000 2.295) 6.526 7.983 ( 6.425 -0.000 5.778) 8.642 8.244 ( 7.133 -0.000 0.721) 7.169 8.479 ( -6.523 0.000 -10.541) 12.396 8.607 ( 3.841 -0.000 -1.703) 4.201 8.707 ( -3.060 0.000 -5.636) 6.413 8.771 ( 4.636 -0.000 3.100) 5.577 8.830 ( 2.891 -0.000 -1.340) 3.186 9.385 ( 13.098 -0.000 8.193) 15.449 9.519 ( -7.546 0.000 -7.505) 10.642 10.287 ( -3.496 0.000 0.438) 3.523 10.381 ( 5.330 -0.000 1.291) 5.484 10.753 ( 5.520 -0.000 8.334) 9.996 11.024 ( 1.240 -0.000 -3.398) 3.617 11.062 ( -0.860 0.000 0.762) 1.149 11.217 ( -0.241 0.000 -1.798) 1.815 11.813 ( -11.295 0.000 0.882) 11.329 12.092 ( -0.427 0.000 0.557) 0.702 12.111 ( -1.421 0.000 -0.736) 1.600 12.218 ( 3.845 -0.000 0.636) 3.897 12.336 ( -3.345 0.000 0.425) 3.372 12.514 ( -7.830 0.000 -0.399) 7.840 13.200 ( -21.761 0.000 -11.936) 24.819 13.636 ( 28.072 -0.000 -16.596) 32.611 13.772 ( -3.256 0.000 1.997) 3.820 14.025 ( 10.971 -0.000 -1.795) 11.117 14.128 ( 3.320 -0.000 5.013) 6.013 14.351 ( -5.702 0.000 -4.672) 7.372 14.443 ( -5.981 0.000 -4.894) 7.728 14.645 ( 11.968 -0.000 2.846) 12.301 14.836 ( -1.277 0.000 3.218) 3.462 15.280 ( 11.883 -0.000 5.340) 13.028 15.282 ( -11.916 0.000 0.435) 11.924 15.358 ( 0.874 -0.000 -9.438) 9.478 16.232 ( 0.980 -0.000 0.159) 0.993 16.359 ( 8.274 -0.000 -5.597) 9.989 19.872 ( 2.198 -0.000 1.259) 2.533 19.947 ( -0.403 0.000 -2.911) 2.939 20.343 ( 2.917 -0.000 3.053) 4.222 20.425 ( -2.210 0.000 -1.679) 2.775 24.514 ( 1.447 -0.000 2.036) 2.498 24.603 ( 1.216 -0.000 -2.248) 2.556 24.715 ( -0.812 0.000 -1.385) 1.605 25.005 ( 26.804 -0.000 -17.123) 31.807 25.969 ( 2.715 -0.000 2.920) 3.987 26.105 ( -2.251 0.000 -5.078) 5.554 26.380 ( -22.099 0.000 16.369) 27.501 26.952 ( 0.563 -0.000 -1.756) 1.844 27.017 ( 0.826 -0.000 0.408) 0.921 27.023 ( 1.318 -0.000 1.022) 1.668 27.179 ( -4.881 0.000 3.666) 6.104 27.669 ( 0.834 -0.000 -2.968) 3.083 27.916 ( -1.574 0.000 -0.448) 1.636 28.014 ( 3.599 -0.000 -3.963) 5.353 28.288 ( -3.989 0.000 1.244) 4.178 28.435 ( -15.053 0.000 -0.328) 15.057 28.691 ( -1.472 0.000 -3.745) 4.024 28.864 ( -26.045 0.000 22.200) 34.222 29.058 ( 41.723 -0.000 -22.861) 47.576 29.445 ( 8.851 -0.000 4.227) 9.808 ======================= Grid point 119 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 6.368 -14.030 19.429) 24.797 1.101 ( 15.441 -22.573 15.040) 31.211 1.544 ( -0.935 -0.407 -3.578) 3.720 1.692 ( -2.921 0.984 -11.265) 11.679 1.760 ( 22.614 -9.888 14.317) 28.533 1.960 ( 10.261 -4.528 -6.682) 13.055 2.112 ( 5.921 -5.474 9.000) 12.084 2.468 ( -9.362 -0.615 -2.916) 9.825 2.592 ( 7.633 -1.103 3.337) 8.403 2.759 ( 3.594 3.266 1.775) 5.171 2.884 ( -0.333 0.089 -4.070) 4.084 2.974 ( -5.436 -2.668 1.853) 6.332 3.058 ( 3.721 -6.036 -8.221) 10.857 3.111 ( -3.574 -6.285 -2.081) 7.524 3.229 ( 0.706 2.007 7.116) 7.427 3.427 ( 6.609 2.158 4.110) 8.076 3.454 ( -4.583 3.401 -3.661) 6.780 3.521 ( -4.466 -1.428 0.275) 4.697 3.881 ( 2.510 1.056 4.429) 5.199 3.930 ( -3.329 4.726 -1.392) 5.946 4.017 ( -0.686 0.742 0.838) 1.313 4.125 ( -0.226 -1.232 -7.282) 7.389 4.212 ( 1.978 -7.045 -0.599) 7.342 4.435 ( 6.959 -2.047 -1.277) 7.365 4.750 ( -6.933 0.621 -4.435) 8.254 4.881 ( -9.788 -4.301 -3.262) 11.178 4.957 ( 4.661 7.431 1.669) 8.929 5.140 ( 1.881 5.460 -2.972) 6.495 5.176 ( 6.417 2.365 -0.698) 6.874 5.279 ( 0.978 5.295 -0.889) 5.457 5.450 ( -5.799 -2.815 -7.908) 10.203 5.530 ( 2.213 -0.947 4.900) 5.459 5.609 ( -6.805 -0.438 4.740) 8.305 5.693 ( -1.742 1.411 1.737) 2.836 5.766 ( -5.803 0.919 3.059) 6.624 6.246 ( -0.793 0.050 -3.395) 3.487 6.373 ( -3.881 2.389 -1.189) 4.710 6.417 ( 5.808 6.850 1.168) 9.057 6.433 ( 1.396 3.108 -4.535) 5.673 6.708 ( -3.061 -0.494 1.515) 3.451 6.876 ( 1.538 3.686 1.165) 4.161 7.071 ( -0.494 1.414 0.601) 1.614 7.138 ( -3.727 6.173 7.354) 10.300 7.269 ( -2.320 0.025 0.601) 2.397 7.444 ( -4.267 -7.691 1.723) 8.963 7.543 ( -14.354 -1.166 0.951) 14.433 7.568 ( 1.345 -5.984 0.326) 6.142 7.694 ( -3.221 3.710 2.472) 5.500 7.853 ( -0.995 1.562 3.673) 4.113 7.990 ( 5.540 2.634 5.405) 8.175 8.164 ( 4.977 8.625 -0.484) 9.970 8.411 ( 0.617 1.726 -6.821) 7.063 8.549 ( 3.438 5.258 -1.746) 6.520 8.674 ( 4.962 8.633 -5.183) 11.226 8.810 ( -3.828 -4.140 -3.056) 6.414 8.839 ( 3.353 1.041 0.600) 3.562 9.493 ( 4.408 -5.287 2.319) 7.264 9.596 ( 0.912 -8.747 -1.925) 9.003 10.297 ( -3.603 -2.889 -0.374) 4.633 10.457 ( 5.755 -3.935 1.613) 7.156 10.868 ( 6.421 -6.814 7.164) 11.789 11.057 ( 1.933 -3.153 -1.334) 3.932 11.117 ( 0.931 -4.698 0.722) 4.844 11.275 ( -1.241 -5.950 -2.717) 6.658 11.784 ( -12.240 -4.030 -0.849) 12.914 12.069 ( 1.208 1.211 0.902) 1.934 12.101 ( -1.767 0.092 -0.190) 1.779 12.238 ( -3.456 2.944 -0.761) 4.603 12.271 ( -1.154 -1.791 1.373) 2.535 12.551 ( -4.297 -4.458 -0.974) 6.268 13.057 ( -17.083 1.255 -8.950) 19.327 13.583 ( 23.804 17.126 -5.555) 29.846 13.753 ( -1.701 0.957 1.267) 2.326 13.949 ( 3.842 7.504 2.484) 8.789 14.115 ( -0.048 1.221 5.671) 5.801 14.324 ( -2.750 1.277 -3.265) 4.456 14.391 ( -4.166 1.575 -6.865) 8.183 14.662 ( 9.301 4.724 3.551) 11.020 14.770 ( 1.075 6.184 8.311) 10.415 14.970 ( -3.368 10.235 3.956) 11.479 15.206 ( -10.012 5.405 -10.338) 15.373 15.474 ( 10.747 1.145 2.859) 11.179 16.251 ( 3.834 -1.535 2.156) 4.659 16.366 ( 3.451 0.656 -1.057) 3.669 19.945 ( -1.678 -4.489 -1.825) 5.128 20.032 ( 0.140 -6.526 -2.675) 7.054 20.356 ( 2.832 0.517 3.089) 4.223 20.407 ( -2.790 0.247 -1.753) 3.304 24.513 ( 1.123 0.953 2.287) 2.720 24.593 ( 1.330 1.733 -2.079) 3.016 24.710 ( 0.356 0.254 -1.658) 1.714 25.006 ( 17.748 8.993 -7.459) 21.248 25.964 ( 0.943 0.582 4.013) 4.163 26.120 ( -1.601 -2.828 -5.299) 6.216 26.268 ( -8.999 0.242 14.967) 17.466 26.940 ( -4.543 2.195 0.712) 5.096 27.013 ( 2.654 -0.306 -1.763) 3.201 27.067 ( 2.881 -2.538 -0.796) 3.922 27.121 ( -0.416 0.722 5.083) 5.151 27.671 ( -0.540 0.791 -4.149) 4.258 27.922 ( 0.352 -2.241 -0.305) 2.289 27.962 ( -0.237 0.988 -1.456) 1.776 28.286 ( -4.930 -10.557 5.832) 13.029 28.435 ( -6.319 -1.763 -1.413) 6.711 28.573 ( 2.446 4.762 3.261) 6.268 28.884 ( -5.743 -1.403 7.510) 9.557 29.344 ( 7.139 0.511 -7.161) 10.124 29.587 ( 2.647 -9.613 -14.361) 17.483 ======================= Grid point 120 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.060 -12.542 9.149) 15.660 1.502 ( -4.426 0.137 -2.810) 5.245 1.624 ( 12.305 -18.993 9.883) 24.694 1.767 ( 7.140 -8.026 -4.686) 11.720 1.958 ( 7.040 -3.226 -6.596) 10.172 2.132 ( 12.404 -5.798 -1.586) 13.784 2.230 ( 3.093 -0.995 6.542) 7.304 2.472 ( 0.491 -3.001 0.458) 3.075 2.643 ( -1.025 1.643 -2.816) 3.418 2.794 ( 3.204 -3.679 2.292) 5.390 2.962 ( -1.738 -7.487 -0.427) 7.698 3.028 ( 3.389 -4.412 4.860) 7.387 3.167 ( -7.225 -1.183 -0.842) 7.370 3.181 ( -4.263 -4.024 -3.270) 6.712 3.228 ( 5.739 0.039 4.575) 7.340 3.324 ( -1.856 0.452 -3.397) 3.897 3.409 ( 3.381 2.435 0.354) 4.181 3.537 ( -5.532 -3.680 2.441) 7.079 3.863 ( 3.044 1.276 0.126) 3.303 3.930 ( 6.648 -1.258 0.312) 6.773 4.012 ( -0.190 -0.622 0.985) 1.180 4.148 ( 1.376 -1.077 -4.104) 4.460 4.333 ( 3.763 -3.155 -2.479) 5.501 4.516 ( 4.422 -1.698 -0.856) 4.814 4.670 ( -7.521 3.240 1.006) 8.250 4.821 ( 1.634 7.152 1.438) 7.476 4.895 ( -4.692 2.820 -1.060) 5.576 4.977 ( -1.877 5.290 -3.183) 6.453 5.120 ( -2.708 4.549 -0.385) 5.308 5.221 ( 4.666 3.212 1.457) 5.849 5.399 ( -6.115 5.415 -6.176) 10.240 5.518 ( -3.187 3.003 8.488) 9.551 5.544 ( -2.402 2.791 2.874) 4.671 5.704 ( -1.528 -1.079 0.405) 1.914 5.737 ( 1.210 -0.829 -5.924) 6.103 6.163 ( -10.083 6.838 -8.698) 14.970 6.226 ( -2.254 7.260 -5.596) 9.439 6.330 ( 3.463 4.058 -0.943) 5.417 6.446 ( 8.971 0.152 9.932) 13.384 6.683 ( -4.157 1.084 1.158) 4.449 6.791 ( -0.867 5.052 0.303) 5.135 6.933 ( -2.113 5.652 9.719) 11.440 7.092 ( 1.521 1.713 -4.922) 5.429 7.297 ( -3.799 2.615 0.165) 4.615 7.343 ( -2.385 1.156 6.935) 7.424 7.499 ( -2.997 3.645 -1.226) 4.876 7.602 ( -2.629 2.704 2.322) 4.429 7.708 ( -4.379 -4.203 -5.541) 8.218 7.745 ( -0.723 7.198 5.081) 8.840 7.922 ( -3.845 3.674 2.733) 5.979 8.111 ( 1.533 -1.176 -0.490) 1.994 8.381 ( 7.482 10.088 0.297) 12.563 8.482 ( 4.458 5.463 -0.581) 7.075 8.538 ( 3.286 -0.277 -5.087) 6.062 8.806 ( 1.547 2.742 -0.798) 3.248 8.863 ( -1.984 -2.165 -5.050) 5.842 9.659 ( 1.558 -9.457 -0.283) 9.589 9.799 ( 3.211 -10.161 0.745) 10.682 10.342 ( -4.246 -3.790 -1.118) 5.800 10.586 ( 6.135 -5.050 2.619) 8.366 11.048 ( 3.504 -7.196 1.335) 8.115 11.182 ( 5.530 -7.116 1.677) 9.167 11.241 ( 3.904 -6.366 4.619) 8.780 11.392 ( -3.098 -6.517 -4.569) 8.541 11.811 ( -11.392 -5.752 -3.101) 13.133 12.065 ( 0.958 0.364 1.650) 1.942 12.096 ( -0.652 -0.614 -0.084) 0.899 12.150 ( -12.227 0.524 -5.991) 13.626 12.319 ( 3.414 -0.737 2.997) 4.602 12.576 ( 0.156 0.085 1.431) 1.442 12.974 ( -8.111 -1.025 -3.531) 8.905 13.378 ( 18.375 14.485 2.890) 23.576 13.715 ( -1.578 1.767 1.283) 2.694 13.869 ( -0.493 2.768 -1.255) 3.079 14.095 ( -1.209 0.615 5.322) 5.492 14.258 ( -2.381 2.971 -1.595) 4.128 14.322 ( -3.591 3.053 -6.758) 8.239 14.589 ( 4.283 6.235 4.282) 8.692 14.674 ( 3.461 4.944 8.314) 10.274 14.820 ( -6.101 4.737 -3.940) 8.671 15.020 ( -8.087 6.437 -9.112) 13.779 15.454 ( 9.661 6.584 2.840) 12.032 16.326 ( 4.595 -2.531 2.898) 5.993 16.385 ( 1.882 -0.962 -1.201) 2.431 20.033 ( -1.587 -5.395 -1.614) 5.851 20.139 ( 0.565 -4.406 -1.227) 4.608 20.359 ( 0.362 0.572 1.358) 1.517 20.386 ( -1.658 0.078 -0.227) 1.676 24.498 ( 0.898 1.204 2.194) 2.658 24.555 ( 1.087 2.647 -1.973) 3.476 24.707 ( 0.922 0.385 -1.499) 1.801 24.943 ( 11.073 6.040 -1.634) 12.719 25.982 ( -0.048 -1.867 2.744) 3.319 26.184 ( -0.728 -4.123 -3.395) 5.390 26.245 ( -5.344 -1.139 10.286) 11.647 26.827 ( -5.360 4.843 -1.469) 7.372 27.051 ( 2.348 -1.222 -1.536) 3.060 27.120 ( 3.952 -0.272 1.715) 4.316 27.159 ( 1.673 -2.908 1.926) 3.868 27.622 ( -2.630 2.043 -6.247) 7.079 28.019 ( -1.109 -7.950 -1.528) 8.171 28.054 ( 2.455 -7.674 1.561) 8.207 28.383 ( -2.782 1.446 -2.470) 3.991 28.484 ( 3.717 2.874 0.809) 4.768 28.586 ( -4.026 -14.809 7.070) 16.897 28.854 ( -1.478 2.065 4.715) 5.356 29.283 ( 2.787 6.435 1.359) 7.143 29.678 ( -4.625 -1.815 -13.658) 14.533 ======================= Grid point 121 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.395 -8.442 -0.866) 8.601 1.495 ( -3.287 -2.920 -0.300) 4.407 1.911 ( 9.719 -0.197 -2.153) 9.957 2.021 ( 11.727 -9.860 1.600) 15.405 2.140 ( 4.620 -13.995 0.280) 14.740 2.235 ( 7.719 1.447 0.123) 7.855 2.353 ( 8.233 -10.134 1.135) 13.107 2.567 ( 8.048 -0.204 1.008) 8.114 2.603 ( -4.367 -2.968 -2.636) 5.901 2.861 ( -1.746 -4.090 -0.454) 4.470 3.028 ( -7.154 -4.182 -3.093) 8.845 3.041 ( -10.671 5.275 -3.518) 12.413 3.077 ( 0.610 1.473 3.549) 3.890 3.222 ( 1.101 1.359 7.133) 7.345 3.228 ( -3.735 -2.850 -4.588) 6.567 3.412 ( 2.266 -1.313 2.207) 3.425 3.490 ( 4.390 -8.313 -3.424) 10.005 3.641 ( -4.031 -9.375 5.627) 11.653 3.876 ( 5.158 1.044 -3.878) 6.537 3.949 ( 4.445 1.673 -1.292) 4.922 4.035 ( 0.578 -1.053 -1.961) 2.299 4.177 ( 1.491 1.253 -0.480) 2.006 4.361 ( -1.431 7.889 1.115) 8.095 4.514 ( -1.764 6.067 -0.071) 6.319 4.531 ( 10.574 0.512 4.126) 11.362 4.711 ( -3.797 5.560 -3.403) 7.544 4.743 ( -3.283 8.070 2.419) 9.042 4.859 ( -4.051 5.699 4.850) 8.509 5.090 ( -5.056 0.808 -3.311) 6.097 5.135 ( -8.059 5.382 2.866) 10.106 5.229 ( 1.690 0.473 5.327) 5.608 5.437 ( -0.998 6.798 6.461) 9.431 5.498 ( 0.810 1.170 -5.388) 5.573 5.701 ( -2.218 -2.219 -7.317) 7.961 5.755 ( -0.977 0.039 -1.094) 1.467 5.968 ( -7.513 6.276 -8.310) 12.841 6.072 ( 1.311 7.868 -0.297) 7.982 6.271 ( 5.864 3.825 -1.637) 7.190 6.488 ( 8.395 2.070 10.489) 13.594 6.650 ( -2.017 -0.333 1.049) 2.297 6.708 ( -3.014 1.223 0.059) 3.253 6.892 ( 3.895 0.753 3.743) 5.454 7.059 ( 2.194 2.122 -4.385) 5.343 7.142 ( -1.291 7.346 3.178) 8.107 7.359 ( -10.172 1.411 -8.275) 13.189 7.419 ( 2.725 1.631 6.788) 7.494 7.479 ( -1.569 7.578 0.909) 7.792 7.622 ( 2.981 6.190 0.639) 6.900 7.704 ( -4.446 0.059 4.676) 6.452 7.940 ( -9.314 -9.517 -0.654) 13.332 8.115 ( -4.124 2.890 -6.729) 8.405 8.210 ( 2.436 5.560 -0.407) 6.084 8.418 ( 10.002 4.738 5.917) 12.550 8.584 ( -0.915 0.180 -4.852) 4.941 8.784 ( 5.398 0.920 3.067) 6.276 8.867 ( -0.953 0.587 -5.359) 5.475 9.861 ( 1.526 -9.725 -0.647) 9.865 10.012 ( 1.796 -9.564 0.523) 9.745 10.385 ( -4.367 -3.359 -1.221) 5.643 10.714 ( 6.245 -3.670 3.917) 8.235 11.187 ( -0.206 -6.152 -2.530) 6.655 11.346 ( 4.606 -5.344 -0.316) 7.062 11.408 ( 4.500 -6.072 3.667) 8.400 11.489 ( 1.535 -5.856 0.746) 6.099 11.843 ( -9.618 -2.841 -4.296) 10.910 12.035 ( -12.858 -1.011 -4.798) 13.761 12.094 ( -0.740 0.038 -0.515) 0.903 12.118 ( 0.826 -1.381 -0.665) 1.742 12.296 ( 0.821 4.823 2.574) 5.528 12.613 ( 7.745 -1.624 4.486) 9.096 12.975 ( -3.156 -2.043 -0.268) 3.769 13.266 ( 10.100 6.280 3.292) 12.340 13.674 ( -1.282 1.377 0.459) 1.937 13.807 ( -0.357 3.408 -1.742) 3.844 14.079 ( -1.150 0.901 4.630) 4.855 14.203 ( -2.562 0.708 -1.520) 3.062 14.223 ( -6.274 3.430 -6.585) 9.721 14.514 ( 2.280 3.058 3.667) 5.291 14.613 ( 4.326 4.170 5.260) 7.986 14.682 ( -9.482 3.701 -5.482) 11.561 14.880 ( -1.956 4.277 -4.636) 6.604 15.353 ( 6.483 8.615 1.070) 10.835 16.383 ( 2.046 -0.971 1.164) 2.547 16.423 ( 3.089 -1.201 0.023) 3.314 20.123 ( -0.807 -4.395 -1.058) 4.592 20.211 ( 1.336 -2.236 -0.137) 2.608 20.341 ( -2.838 -0.146 -1.121) 3.055 20.390 ( 0.444 -0.451 1.731) 1.843 24.483 ( 0.679 0.830 1.767) 2.067 24.507 ( 0.850 2.665 -1.915) 3.390 24.704 ( 0.649 0.335 -1.107) 1.326 24.895 ( 6.620 4.481 -0.435) 8.005 26.030 ( -0.593 -2.937 2.370) 3.820 26.226 ( 0.253 0.001 7.574) 7.578 26.273 ( -5.777 -4.901 -1.552) 7.733 26.716 ( -2.844 3.515 -3.070) 5.466 27.072 ( 2.403 0.540 -0.246) 2.475 27.129 ( 5.285 2.642 -0.283) 5.916 27.220 ( 0.069 -2.888 1.806) 3.407 27.585 ( -3.500 -0.765 -6.343) 7.285 28.173 ( -1.765 -7.380 -2.056) 7.861 28.235 ( 2.448 -7.428 3.377) 8.519 28.325 ( 0.133 2.699 -1.505) 3.094 28.433 ( 4.214 2.673 1.505) 5.212 28.806 ( -1.218 1.690 3.223) 3.837 28.899 ( -1.488 -16.090 0.560) 16.168 29.166 ( -0.042 5.607 4.661) 7.291 29.635 ( -5.368 1.845 -8.513) 10.232 ======================= Grid point 122 (46/141) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.854 -5.066 -5.644) 7.633 1.570 ( 0.852 -4.124 -0.060) 4.211 1.930 ( 6.792 1.093 -3.726) 7.823 2.167 ( 5.946 0.734 1.275) 6.126 2.267 ( 7.643 -1.023 -0.347) 7.719 2.406 ( 5.711 -5.777 2.468) 8.490 2.544 ( -2.050 -2.224 -4.123) 5.113 2.602 ( 0.318 -6.458 -5.524) 8.504 2.738 ( 6.992 -8.591 5.133) 12.208 2.841 ( -5.401 9.310 -1.393) 10.853 2.937 ( -3.297 0.100 -0.132) 3.301 3.008 ( -4.144 -4.075 5.118) 7.744 3.115 ( -5.402 -0.164 3.051) 6.207 3.161 ( -3.131 -1.581 -9.807) 10.415 3.355 ( 4.620 -10.784 4.253) 12.479 3.472 ( 1.606 -2.009 6.293) 6.798 3.659 ( 5.075 -6.837 -4.154) 9.474 3.751 ( -3.452 -2.439 1.525) 4.494 3.871 ( -1.191 0.604 -7.401) 7.521 3.946 ( 4.151 2.230 -0.766) 4.774 4.040 ( 0.815 8.308 -2.252) 8.647 4.074 ( -3.739 6.303 -1.097) 7.410 4.126 ( 2.602 3.915 0.492) 4.727 4.375 ( -2.264 5.994 3.972) 7.539 4.488 ( -5.403 11.105 -7.298) 14.345 4.520 ( 0.467 6.948 3.413) 7.755 4.627 ( -1.762 1.384 5.358) 5.808 4.848 ( -0.174 -2.909 6.231) 6.879 4.875 ( -5.478 5.613 4.527) 9.056 5.224 ( -1.413 -5.743 5.634) 8.168 5.262 ( -1.488 5.507 0.235) 5.709 5.305 ( 0.002 -4.727 3.110) 5.658 5.494 ( 2.635 3.046 -2.889) 4.957 5.702 ( -5.462 2.554 -6.624) 8.957 5.737 ( -0.889 0.140 -2.757) 2.900 5.825 ( 0.365 4.047 -1.088) 4.207 5.997 ( 4.484 0.521 1.413) 4.730 6.281 ( 7.870 -0.330 -3.067) 8.453 6.489 ( 7.642 2.590 7.306) 10.885 6.638 ( 0.573 1.497 6.142) 6.347 6.719 ( -1.756 -3.299 -3.911) 5.410 6.927 ( -0.029 -0.608 -2.067) 2.155 6.982 ( 1.263 4.397 0.956) 4.673 7.058 ( 2.529 1.451 -1.659) 3.355 7.199 ( -14.241 5.697 -4.857) 16.089 7.356 ( 3.566 5.809 2.335) 7.205 7.399 ( -2.032 1.669 -0.064) 2.631 7.523 ( -2.663 3.520 -2.007) 4.848 7.734 ( 0.025 -4.068 7.934) 8.916 7.981 ( 2.976 6.533 -2.127) 7.487 8.121 ( -9.869 -13.230 -4.932) 17.226 8.197 ( 0.984 -1.098 0.799) 1.677 8.401 ( 6.261 2.761 5.082) 8.524 8.524 ( -2.880 3.247 -6.252) 7.611 8.797 ( 2.074 2.438 0.153) 3.205 8.843 ( 2.965 1.025 0.531) 3.182 10.030 ( 1.862 -5.829 -0.625) 6.151 10.173 ( -0.545 -6.091 0.000) 6.115 10.425 ( -3.094 -3.255 -1.214) 4.652 10.789 ( 4.758 -0.068 3.853) 6.123 11.278 ( -1.712 -3.811 -2.725) 4.988 11.440 ( 1.920 -2.348 -1.066) 3.215 11.488 ( 0.071 -2.046 -1.834) 2.749 11.660 ( 7.339 -5.451 6.136) 11.010 11.775 ( -5.643 2.397 -2.264) 6.535 12.015 ( -13.478 -4.537 -7.551) 16.101 12.103 ( 2.329 -0.195 2.675) 3.552 12.143 ( 0.779 0.377 -0.693) 1.109 12.190 ( 1.170 4.519 1.920) 5.047 12.693 ( 7.298 -0.579 3.688) 8.197 13.004 ( -1.828 -2.309 0.799) 3.051 13.238 ( 6.145 1.995 3.016) 7.130 13.652 ( -1.113 0.080 -0.020) 1.116 13.739 ( -0.068 2.956 -0.793) 3.062 14.030 ( -1.044 3.662 1.046) 3.949 14.137 ( -8.617 -0.641 -6.383) 10.742 14.202 ( -0.645 -0.976 0.144) 1.178 14.489 ( 0.898 1.777 1.662) 2.594 14.566 ( 0.820 2.188 -0.401) 2.371 14.602 ( -2.263 -0.180 1.745) 2.863 14.826 ( 0.166 0.456 -1.414) 1.495 15.210 ( 3.081 8.474 -1.279) 9.107 16.397 ( 0.391 0.223 0.513) 0.683 16.454 ( 2.257 -0.115 0.378) 2.292 20.188 ( -0.128 -2.445 -0.943) 2.623 20.240 ( 0.890 -0.408 0.685) 1.195 20.340 ( -1.858 -1.000 -1.333) 2.496 20.402 ( 0.138 -0.498 1.429) 1.519 24.464 ( 0.887 2.044 -1.701) 2.803 24.478 ( 0.350 0.025 1.084) 1.139 24.700 ( -0.260 0.222 -0.733) 0.809 24.845 ( 2.895 3.574 -0.128) 4.601 26.085 ( -0.811 -2.895 3.095) 4.315 26.224 ( 0.687 1.050 6.634) 6.751 26.328 ( -4.588 -4.233 -1.497) 6.419 26.660 ( -0.297 1.264 -4.044) 4.247 27.061 ( 2.858 2.450 0.317) 3.777 27.085 ( 2.259 3.120 -1.750) 4.231 27.276 ( -0.342 -2.602 2.118) 3.372 27.597 ( -2.093 -1.976 -6.000) 6.655 28.229 ( -0.536 0.624 0.071) 0.826 28.272 ( -0.625 0.933 -2.260) 2.523 28.343 ( -0.064 -1.779 1.620) 2.407 28.490 ( 6.024 -3.933 3.643) 8.064 28.783 ( -0.985 0.121 2.358) 2.558 29.023 ( -2.803 2.850 -3.727) 5.466 29.226 ( 1.753 -11.404 4.495) 12.383 29.551 ( -4.089 3.064 -3.687) 6.301 ======================= Grid point 123 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 1.985 1.201 -6.069) 6.498 1.632 ( 3.217 -1.210 -1.704) 3.837 1.938 ( 2.288 1.731 -2.040) 3.521 2.148 ( 4.127 3.452 0.334) 5.391 2.300 ( 1.237 1.813 -0.520) 2.256 2.392 ( -3.118 5.623 2.344) 6.844 2.521 ( -6.898 8.315 -2.078) 11.001 2.634 ( 0.701 3.576 -5.305) 6.436 2.697 ( -0.733 -3.971 -2.163) 4.581 2.873 ( -1.711 -0.209 -0.104) 1.726 2.976 ( -12.126 0.235 0.838) 12.157 2.986 ( 6.848 -7.610 2.267) 10.485 3.173 ( -0.644 -4.606 4.822) 6.700 3.262 ( 4.725 -5.788 -2.475) 7.871 3.401 ( -2.017 11.209 7.023) 13.380 3.579 ( 9.299 -2.362 5.368) 10.994 3.666 ( -5.488 4.634 -4.956) 8.726 3.748 ( -4.197 2.686 -5.754) 7.611 3.834 ( -3.426 -1.368 -3.342) 4.978 3.908 ( 1.523 -0.118 -0.259) 1.549 3.952 ( 1.239 -4.139 -3.956) 5.859 4.062 ( 5.090 -5.129 -4.391) 8.456 4.124 ( 7.481 0.531 -0.606) 7.524 4.259 ( -0.875 5.933 0.921) 6.068 4.365 ( -4.395 -3.415 -2.346) 6.040 4.494 ( 3.362 -4.275 9.899) 11.294 4.636 ( -3.767 -2.252 3.026) 5.331 4.786 ( -4.084 -1.443 4.083) 5.952 4.901 ( -1.030 -0.285 4.994) 5.107 5.196 ( 0.438 -0.425 -1.222) 1.365 5.269 ( 0.228 3.913 5.655) 6.881 5.390 ( -0.307 -3.444 4.455) 5.640 5.472 ( 0.605 -3.725 0.551) 3.814 5.576 ( -2.750 4.595 -2.139) 5.767 5.736 ( -0.127 0.240 -3.305) 3.317 5.774 ( 0.119 2.731 -0.794) 2.847 6.047 ( 2.270 -0.791 -4.281) 4.909 6.323 ( 1.646 0.595 -4.724) 5.038 6.503 ( 11.259 1.411 7.234) 13.457 6.614 ( 0.421 1.466 5.580) 5.785 6.800 ( 2.616 -3.518 -1.847) 4.757 6.858 ( -7.029 -1.652 -2.214) 7.552 6.985 ( -8.491 7.159 -0.768) 11.132 7.043 ( 1.012 -0.454 -7.282) 7.366 7.068 ( 0.584 -4.772 2.241) 5.305 7.305 ( 5.701 1.778 4.474) 7.461 7.334 ( -4.964 1.810 -1.389) 5.464 7.471 ( -3.944 -0.498 -2.148) 4.518 7.801 ( 0.359 -0.521 3.858) 3.910 7.937 ( 3.004 -0.692 0.345) 3.102 8.245 ( 5.830 -0.885 2.324) 6.338 8.300 ( -2.878 -7.140 -4.215) 8.777 8.391 ( -3.799 -1.675 -2.622) 4.911 8.456 ( 0.068 0.922 -0.801) 1.224 8.729 ( 2.180 4.590 -0.786) 5.142 8.836 ( -0.402 1.342 1.824) 2.300 10.085 ( 1.551 1.356 -0.437) 2.106 10.232 ( -2.011 -0.305 -0.518) 2.099 10.471 ( -0.728 -2.299 -1.093) 2.648 10.782 ( 2.327 2.580 3.008) 4.595 11.307 ( -2.322 -0.109 -1.810) 2.946 11.438 ( -1.010 3.921 0.184) 4.053 11.492 ( 0.290 1.717 -1.555) 2.334 11.658 ( -4.054 -0.246 -0.789) 4.138 11.857 ( 11.243 -3.154 7.083) 13.657 11.987 ( -10.048 0.050 -7.627) 12.615 12.106 ( -0.174 0.481 -0.659) 0.834 12.133 ( 0.964 -1.181 2.742) 3.137 12.182 ( 0.238 -1.074 -0.407) 1.173 12.703 ( 3.802 3.177 1.955) 5.327 13.036 ( -1.630 -2.004 0.668) 2.668 13.259 ( 4.142 -0.565 2.226) 4.737 13.651 ( -1.302 -0.331 0.094) 1.346 13.708 ( 0.481 -0.163 -0.117) 0.522 13.971 ( 0.457 0.986 -1.582) 1.919 14.130 ( -3.491 -1.993 -1.857) 4.428 14.208 ( -1.527 0.230 -0.828) 1.752 14.451 ( -0.866 1.447 0.095) 1.689 14.564 ( 1.842 -1.296 -0.276) 2.269 14.623 ( 0.599 -1.167 2.670) 2.975 14.875 ( 0.192 -5.239 1.041) 5.344 15.079 ( 0.722 5.434 -3.580) 6.547 16.380 ( -0.758 1.468 0.626) 1.766 16.457 ( 0.516 0.507 0.145) 0.737 20.211 ( -0.248 -0.295 -1.368) 1.421 20.254 ( 0.627 -0.362 1.379) 1.557 20.343 ( -0.544 0.112 -1.302) 1.415 20.411 ( 0.174 -0.306 1.146) 1.199 24.439 ( 1.197 1.100 -1.368) 2.125 24.489 ( -0.033 -0.998 0.331) 1.052 24.690 ( -1.366 0.238 -0.583) 1.505 24.794 ( 0.005 2.439 0.038) 2.439 26.138 ( -0.362 -2.758 4.835) 5.578 26.187 ( -0.428 2.973 4.863) 5.716 26.396 ( 1.644 -3.517 -1.902) 4.323 26.644 ( -1.721 -0.165 -3.949) 4.311 27.010 ( 1.290 2.932 -0.351) 3.223 27.064 ( 0.034 0.299 -0.751) 0.810 27.307 ( -0.084 -0.413 2.240) 2.280 27.616 ( -0.107 -0.728 -6.478) 6.520 28.216 ( -0.157 -0.256 0.063) 0.307 28.253 ( 0.390 0.412 -0.808) 0.987 28.346 ( -1.051 1.172 0.473) 1.644 28.587 ( 2.417 -2.793 3.731) 5.250 28.758 ( -1.667 3.264 1.659) 4.024 28.963 ( -0.363 0.825 -0.571) 1.067 29.350 ( 0.674 3.366 -1.496) 3.744 29.548 ( -0.309 -7.172 -0.097) 7.179 ======================= Grid point 124 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 4.092 4.140 -4.236) 7.199 1.615 ( 1.539 5.069 -0.627) 5.335 1.910 ( 1.451 1.431 -1.229) 2.379 2.085 ( 3.431 5.427 -0.904) 6.484 2.198 ( -8.520 5.676 1.236) 10.312 2.220 ( -2.205 10.085 4.123) 11.116 2.229 ( -8.949 12.830 -1.250) 15.693 2.555 ( 0.406 5.270 -4.291) 6.808 2.770 ( 1.243 -1.664 -0.846) 2.243 2.897 ( 0.122 -2.139 -2.509) 3.300 2.972 ( -4.964 -3.261 -3.369) 6.828 3.082 ( -1.582 0.760 2.684) 3.207 3.164 ( -1.825 7.331 5.040) 9.082 3.199 ( 1.390 0.277 9.705) 9.808 3.380 ( 3.650 -2.741 -2.361) 5.139 3.490 ( 2.156 7.768 -4.567) 9.266 3.643 ( 1.123 1.234 0.127) 1.673 3.645 ( -0.367 3.135 -7.620) 8.248 3.893 ( -1.848 0.882 -0.849) 2.217 3.924 ( 0.258 -6.522 1.753) 6.758 4.058 ( -1.340 -4.757 -6.080) 7.836 4.111 ( 3.843 4.783 -3.236) 6.937 4.236 ( 0.561 -6.713 4.678) 8.201 4.346 ( 4.557 -9.771 -0.016) 10.781 4.442 ( -6.067 -4.155 1.631) 7.533 4.550 ( 0.031 -0.490 -0.284) 0.567 4.733 ( 4.201 -9.635 8.268) 13.373 4.865 ( 0.205 0.533 3.146) 3.198 4.917 ( 0.289 -10.554 1.105) 10.615 5.162 ( -1.600 2.156 3.515) 4.424 5.281 ( 4.391 -3.050 2.102) 5.745 5.409 ( -1.132 3.457 4.295) 5.629 5.532 ( 0.447 -2.207 0.821) 2.397 5.576 ( -2.563 -4.725 2.355) 5.869 5.750 ( -1.428 -0.589 0.541) 1.637 5.785 ( 1.792 -8.311 -6.618) 10.774 6.005 ( 0.318 4.758 -9.689) 10.799 6.283 ( -5.196 0.216 -4.274) 6.732 6.526 ( 4.054 3.700 6.029) 8.153 6.605 ( 5.120 0.677 0.548) 5.194 6.800 ( 0.767 4.734 8.962) 10.164 6.822 ( -12.551 -3.678 -6.418) 14.569 7.001 ( 4.466 -5.358 1.082) 7.059 7.054 ( 3.351 -3.099 -2.319) 5.120 7.210 ( -4.467 -8.864 0.166) 9.927 7.311 ( -2.946 -3.003 0.392) 4.225 7.362 ( 8.870 -2.248 2.637) 9.523 7.502 ( -4.473 -5.788 -2.363) 7.687 7.788 ( 6.855 3.211 3.210) 8.222 7.981 ( -3.930 -2.896 0.743) 4.938 8.221 ( -0.953 5.222 -5.433) 7.595 8.322 ( 5.097 3.878 0.981) 6.479 8.425 ( -3.081 -4.808 -0.863) 5.776 8.545 ( -0.297 -4.692 -0.143) 4.703 8.681 ( 3.838 0.080 -0.871) 3.937 8.797 ( -4.974 0.305 -0.758) 5.041 10.007 ( 1.391 7.164 -0.119) 7.299 10.151 ( -2.519 6.717 -1.085) 7.255 10.495 ( 1.170 0.082 -0.485) 1.269 10.732 ( -0.028 3.618 2.546) 4.424 11.243 ( -2.683 4.571 -1.666) 5.556 11.299 ( -0.573 8.408 2.385) 8.758 11.433 ( -0.620 3.969 -1.110) 4.167 11.698 ( 0.780 -3.912 2.040) 4.481 11.892 ( -7.120 3.740 -6.228) 10.172 11.956 ( 9.731 0.091 5.657) 11.256 12.127 ( 0.702 -1.238 -0.439) 1.489 12.140 ( -0.146 -0.246 -1.425) 1.453 12.234 ( -2.086 -4.447 0.884) 4.991 12.616 ( 0.188 6.911 1.126) 7.005 13.071 ( -0.563 -2.311 -0.047) 2.380 13.297 ( -1.096 -2.052 -1.304) 2.667 13.652 ( 0.635 -0.341 1.927) 2.058 13.748 ( 0.576 -3.204 -0.429) 3.284 14.013 ( 6.434 -3.070 0.144) 7.130 14.151 ( 0.856 0.798 1.507) 1.909 14.185 ( -4.828 -2.121 -2.592) 5.875 14.432 ( -0.590 0.110 0.085) 0.606 14.593 ( 1.411 0.732 3.247) 3.615 14.684 ( 0.724 -5.875 -0.876) 5.984 14.963 ( -0.673 -1.095 -3.008) 3.271 15.063 ( 0.119 -5.822 -1.017) 5.911 16.331 ( -1.174 2.866 0.974) 3.247 16.446 ( -0.933 0.539 -0.141) 1.087 20.207 ( -0.311 0.445 -1.599) 1.688 20.253 ( -0.187 0.636 0.502) 0.832 20.321 ( 0.740 2.210 0.028) 2.331 20.420 ( 0.308 -0.502 0.591) 0.834 24.435 ( 1.567 0.119 -0.930) 1.826 24.516 ( -0.473 -1.866 -0.514) 1.992 24.674 ( -1.858 0.394 -0.524) 1.970 24.754 ( -1.676 1.068 0.237) 2.001 26.116 ( -0.270 4.096 3.298) 5.265 26.192 ( -0.579 -2.683 7.412) 7.904 26.450 ( 6.652 1.755 -3.407) 7.677 26.658 ( -4.350 -4.467 -2.375) 6.672 26.980 ( -0.256 0.418 -0.031) 0.491 27.063 ( -0.637 -0.225 -1.010) 1.215 27.292 ( -0.197 1.888 2.571) 3.196 27.616 ( 1.430 0.708 -7.586) 7.752 28.227 ( 1.563 2.029 0.567) 2.623 28.259 ( -0.788 -1.555 -0.709) 1.882 28.313 ( -1.322 -0.535 0.958) 1.718 28.591 ( -7.066 5.735 -5.140) 10.452 28.663 ( 4.913 1.947 7.798) 9.420 28.989 ( 2.997 -1.700 2.228) 4.103 29.210 ( -1.284 8.756 1.594) 8.992 29.713 ( 1.499 -7.702 -4.503) 9.047 ======================= Grid point 125 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.952 12.515 2.611) 12.933 1.533 ( 1.113 2.492 -1.830) 3.286 1.776 ( 3.073 21.229 7.372) 22.681 1.929 ( -2.239 2.514 -4.587) 5.690 1.951 ( -4.261 8.885 -1.843) 10.025 2.045 ( -3.303 4.818 -2.621) 6.403 2.144 ( -1.939 -0.264 6.083) 6.390 2.478 ( -2.458 0.912 -1.221) 2.892 2.759 ( 1.026 3.448 -3.622) 5.105 2.898 ( -2.420 1.304 -3.922) 4.790 2.964 ( 3.957 6.559 1.738) 7.855 3.058 ( 3.016 2.511 4.221) 5.764 3.084 ( -3.654 -2.606 1.285) 4.669 3.228 ( 0.808 0.570 11.414) 11.457 3.321 ( 2.783 6.700 1.498) 7.408 3.422 ( 1.751 2.356 -3.866) 4.854 3.573 ( -8.159 1.907 -8.866) 12.199 3.660 ( 7.197 -0.899 -1.900) 7.498 3.842 ( -1.612 3.012 0.710) 3.489 3.939 ( -5.836 5.203 -3.083) 8.404 4.088 ( -1.489 -2.176 0.060) 2.637 4.100 ( 0.483 0.532 -4.720) 4.774 4.297 ( -1.138 -2.535 5.971) 6.586 4.393 ( 0.826 -5.454 4.347) 7.023 4.589 ( 0.558 -1.787 -8.054) 8.269 4.693 ( 0.160 -10.072 -2.961) 10.500 4.855 ( -2.161 -2.608 1.990) 3.928 4.930 ( 3.240 -7.670 4.615) 9.520 5.155 ( -0.144 -2.095 2.385) 3.178 5.192 ( 1.533 -10.186 -0.144) 10.302 5.275 ( 1.409 3.560 1.627) 4.160 5.381 ( 5.043 -0.963 3.975) 6.493 5.621 ( -6.123 -5.667 -1.892) 8.555 5.651 ( 3.609 -5.316 4.714) 7.969 5.783 ( -1.253 -3.747 3.345) 5.177 5.900 ( -1.840 -0.646 -10.911) 11.084 6.050 ( 4.596 -10.018 -4.797) 12.020 6.293 ( -3.252 -3.914 -0.261) 5.096 6.463 ( -0.028 2.991 4.552) 5.447 6.621 ( 3.531 -0.602 -0.362) 3.601 6.751 ( 0.939 0.170 5.340) 5.424 6.870 ( -5.858 -4.932 0.967) 7.719 7.029 ( -0.289 -0.884 -3.635) 3.752 7.235 ( 4.760 -6.842 2.782) 8.787 7.330 ( -3.570 -6.516 3.024) 8.022 7.424 ( -1.045 -8.307 0.641) 8.397 7.488 ( 4.760 -6.769 -3.221) 8.880 7.632 ( -3.889 -8.866 -1.708) 9.830 7.780 ( 10.744 2.401 5.297) 12.217 8.004 ( -5.870 -1.876 2.424) 6.622 8.085 ( 0.922 6.032 -5.012) 7.897 8.242 ( 1.657 6.416 3.481) 7.485 8.480 ( -8.530 -3.894 -6.276) 11.283 8.572 ( 2.332 -1.082 2.853) 3.840 8.782 ( -5.469 -3.167 -4.516) 7.767 8.796 ( 4.846 -4.757 -3.755) 7.760 9.836 ( 1.532 11.014 0.400) 11.128 9.970 ( -2.390 9.458 -1.226) 9.832 10.479 ( 2.210 2.426 -0.074) 3.283 10.628 ( -3.022 6.080 1.080) 6.875 11.110 ( 0.737 8.738 3.839) 9.572 11.154 ( 1.207 5.492 0.747) 5.672 11.331 ( -1.329 5.607 -0.433) 5.779 11.732 ( -6.774 7.517 -6.797) 12.190 11.799 ( 5.211 -3.518 5.103) 8.097 12.005 ( 8.537 0.543 5.102) 9.960 12.114 ( -0.490 0.637 -0.943) 1.239 12.194 ( 3.590 -2.730 -1.537) 4.764 12.304 ( -4.826 -3.953 -0.198) 6.241 12.451 ( -1.375 8.823 2.528) 9.281 13.104 ( 0.457 -0.357 -1.361) 1.480 13.326 ( -9.150 -4.420 -6.362) 11.989 13.681 ( 2.597 -1.427 4.306) 5.227 13.823 ( 0.880 -3.665 -1.365) 4.008 14.101 ( 1.260 2.674 2.887) 4.132 14.156 ( 8.689 -5.622 0.366) 10.356 14.247 ( -3.345 -5.386 -1.119) 6.439 14.437 ( -1.098 -1.104 -0.631) 1.680 14.585 ( -0.633 -0.260 4.582) 4.633 14.833 ( 1.274 -8.017 -1.280) 8.218 14.975 ( 3.267 -0.790 -3.288) 4.701 15.206 ( -3.606 -8.107 -1.751) 9.044 16.263 ( -0.071 3.411 1.845) 3.879 16.422 ( -1.566 1.182 -0.669) 2.073 20.181 ( -0.439 2.149 -2.448) 3.287 20.219 ( -2.143 2.706 -2.433) 4.223 20.284 ( 3.066 1.779 3.575) 5.034 20.433 ( -0.130 -0.627 -0.191) 0.668 24.450 ( 1.757 -0.640 -0.472) 1.929 24.550 ( -1.665 -2.131 -1.613) 3.149 24.659 ( 0.133 0.271 0.302) 0.427 24.732 ( -2.269 0.003 0.235) 2.282 26.035 ( 0.162 4.046 2.063) 4.545 26.235 ( -1.464 -1.697 8.411) 8.705 26.402 ( 2.185 4.552 -0.615) 5.086 26.766 ( 0.115 -6.944 -1.841) 7.185 26.984 ( 0.029 -0.715 -0.431) 0.836 27.057 ( -0.660 0.549 -1.478) 1.709 27.239 ( -1.023 3.111 3.135) 4.534 27.610 ( 2.284 0.370 -8.690) 8.993 28.125 ( 0.865 7.280 1.357) 7.456 28.310 ( -2.400 0.572 -2.001) 3.177 28.332 ( -0.581 1.501 -0.264) 1.631 28.400 ( -1.933 2.134 -2.292) 3.680 28.683 ( 4.078 0.869 6.051) 7.349 28.970 ( 0.163 8.916 11.241) 14.349 29.103 ( 0.028 -2.911 -3.532) 4.577 29.841 ( -0.147 -4.941 -9.511) 10.718 ======================= Grid point 126 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 2.435 17.084 9.656) 19.775 1.301 ( 7.839 23.561 12.549) 27.821 1.562 ( 0.625 0.949 -1.253) 1.692 1.770 ( -1.273 8.275 -2.198) 8.656 1.883 ( 2.414 10.008 2.019) 10.491 1.904 ( -4.162 2.615 -8.155) 9.522 2.156 ( -1.556 -0.068 6.652) 6.832 2.498 ( -1.899 -3.950 1.050) 4.506 2.578 ( 3.433 13.647 2.747) 14.338 2.830 ( -5.683 1.664 -3.958) 7.122 2.891 ( 6.651 3.904 -1.837) 7.928 2.946 ( 4.052 5.651 3.945) 7.995 3.158 ( -1.698 1.802 9.565) 9.881 3.195 ( 1.901 -3.531 2.762) 4.869 3.319 ( 0.733 0.860 2.049) 2.340 3.354 ( -3.032 2.397 -6.935) 7.939 3.489 ( -4.271 1.052 -5.972) 7.417 3.684 ( -0.717 4.673 -0.293) 4.736 3.804 ( -0.781 -3.715 -0.797) 3.879 3.868 ( -3.536 -1.536 -1.426) 4.110 4.027 ( -2.954 0.530 3.947) 4.959 4.150 ( 0.592 -0.820 -7.659) 7.726 4.328 ( -1.599 2.037 -3.157) 4.083 4.401 ( 3.456 7.656 -6.339) 10.523 4.642 ( 4.596 -9.326 2.491) 10.692 4.839 ( -2.401 -4.863 -4.198) 6.858 4.974 ( -1.317 -7.238 3.677) 8.224 5.052 ( 3.494 -1.056 0.213) 3.656 5.151 ( -5.722 0.282 -0.247) 5.735 5.180 ( -1.266 -2.335 2.520) 3.662 5.396 ( 5.473 -0.928 1.537) 5.760 5.487 ( 4.181 -7.204 -3.130) 8.898 5.666 ( -3.492 -3.011 1.096) 4.739 5.771 ( -6.664 -3.351 4.179) 8.550 5.841 ( -6.014 -3.857 3.316) 7.877 6.005 ( 10.960 -8.645 -1.616) 14.052 6.201 ( 3.419 -2.907 -4.305) 6.219 6.374 ( -0.113 -4.245 0.816) 4.325 6.419 ( -2.687 0.594 -1.641) 3.205 6.697 ( 3.106 -3.214 7.714) 8.915 6.783 ( 2.594 -1.693 -3.242) 4.484 6.953 ( -1.983 -6.691 5.156) 8.677 7.058 ( 0.366 -2.357 -0.337) 2.409 7.333 ( -0.165 -0.764 5.366) 5.423 7.401 ( -3.137 -3.967 1.257) 5.211 7.578 ( 2.566 -5.736 -0.881) 6.346 7.635 ( 0.239 -3.734 -2.608) 4.561 7.749 ( -5.283 -5.854 -1.888) 8.108 7.863 ( 2.216 -5.539 5.380) 8.034 7.966 ( 0.034 0.020 2.930) 2.931 8.035 ( 3.143 4.124 0.436) 5.203 8.207 ( -1.070 -6.679 -0.151) 6.766 8.514 ( -7.727 -5.382 -7.597) 12.099 8.616 ( -2.272 -2.408 -5.911) 6.775 8.797 ( -1.488 -1.000 -1.201) 2.158 8.893 ( 0.821 -2.254 -7.791) 8.152 9.608 ( 2.003 12.937 1.561) 13.184 9.781 ( -1.901 8.000 -2.167) 8.504 10.433 ( 2.153 3.575 0.193) 4.178 10.479 ( -2.912 6.607 0.416) 7.233 10.941 ( 2.711 9.452 6.386) 11.725 11.083 ( 2.400 3.443 0.292) 4.207 11.212 ( -1.333 5.404 0.332) 5.576 11.513 ( -4.640 10.512 -5.205) 12.615 11.897 ( 7.047 -2.004 7.124) 10.219 12.043 ( 1.645 -0.625 -0.838) 1.949 12.117 ( 1.091 -1.041 1.595) 2.195 12.206 ( -1.158 6.417 0.670) 6.555 12.338 ( 12.133 -3.820 1.310) 12.787 12.363 ( -3.571 -0.768 3.683) 5.187 13.084 ( 2.680 2.361 -1.128) 3.745 13.345 ( -15.966 -5.099 -10.188) 19.614 13.736 ( 1.593 -2.326 4.914) 5.665 13.885 ( 0.178 -2.049 -2.639) 3.346 14.072 ( 0.904 0.397 4.909) 5.007 14.323 ( 0.221 -4.601 -1.894) 4.980 14.345 ( 7.727 -6.206 -0.068) 9.910 14.455 ( -3.210 -1.934 -1.927) 4.214 14.619 ( 0.574 -3.212 7.866) 8.516 14.956 ( -6.478 -5.316 -2.941) 8.881 15.078 ( 15.429 -4.646 2.333) 16.281 15.311 ( -7.330 -6.080 -4.969) 10.741 16.211 ( 2.205 2.447 2.765) 4.301 16.378 ( -0.984 2.485 -1.122) 2.898 20.101 ( -2.567 5.007 -2.577) 6.189 20.140 ( 0.146 4.087 -4.129) 5.811 20.293 ( 2.746 -0.238 3.606) 4.539 20.440 ( -0.980 -0.417 -0.942) 1.422 24.476 ( 1.385 -0.948 -0.037) 1.679 24.570 ( -2.861 -1.489 -2.243) 3.929 24.679 ( 6.235 -0.588 1.666) 6.481 24.724 ( -2.207 -0.447 -0.089) 2.254 25.969 ( 0.679 2.821 1.531) 3.281 26.223 ( -2.022 2.452 -0.611) 3.237 26.354 ( -3.571 -0.849 13.185) 13.686 26.893 ( 1.774 -4.947 -1.099) 5.369 27.003 ( 1.355 -0.445 -1.000) 1.741 27.029 ( 0.705 1.882 -1.910) 2.772 27.169 ( -1.928 3.084 4.217) 5.569 27.628 ( 2.600 -1.136 -8.852) 9.296 27.993 ( 0.744 6.127 0.862) 6.232 28.090 ( -2.239 10.617 -3.388) 11.368 28.393 ( 2.868 -1.741 -0.085) 3.357 28.450 ( -1.486 -3.675 -0.911) 4.067 28.617 ( 1.779 8.959 11.062) 14.345 28.844 ( -1.558 0.837 5.414) 5.696 29.202 ( 3.116 -4.999 -0.917) 5.961 29.873 ( -5.280 0.520 -16.901) 17.714 ======================= Grid point 129 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 11.381 -0.000 20.300) 23.273 0.946 ( 20.333 -0.000 19.241) 27.994 1.530 ( -0.707 0.000 -8.115) 8.146 1.694 ( -1.345 0.000 -13.602) 13.668 1.820 ( 20.588 -0.000 6.601) 21.620 1.936 ( 6.051 -0.000 -4.427) 7.498 2.113 ( 14.054 -0.000 20.523) 24.874 2.392 ( -11.098 0.000 -5.335) 12.314 2.635 ( 6.440 -0.000 3.080) 7.138 2.827 ( 3.538 -0.000 1.470) 3.831 2.854 ( -5.720 0.000 -9.251) 10.877 2.975 ( -3.603 0.000 3.176) 4.803 2.983 ( 1.453 -0.000 -1.715) 2.248 3.044 ( 11.214 -0.000 -3.798) 11.840 3.268 ( 1.711 -0.000 9.091) 9.251 3.464 ( -2.934 0.000 -3.315) 4.427 3.478 ( 4.489 -0.000 5.176) 6.852 3.518 ( 0.836 -0.000 -3.249) 3.355 3.898 ( -1.748 0.000 2.633) 3.161 3.977 ( -5.686 0.000 8.386) 10.132 3.984 ( -1.718 0.000 -1.556) 2.317 4.114 ( -0.039 0.000 -7.403) 7.404 4.137 ( 4.780 -0.000 -3.552) 5.955 4.444 ( 4.261 -0.000 -0.384) 4.278 4.732 ( -3.573 0.000 -1.093) 3.736 4.764 ( -12.238 0.000 -5.568) 13.445 5.103 ( 8.926 -0.000 -4.743) 10.108 5.117 ( -2.245 0.000 -0.712) 2.355 5.289 ( 5.958 -0.000 0.832) 6.015 5.319 ( -9.734 0.000 -4.952) 10.922 5.358 ( 1.590 -0.000 -5.291) 5.524 5.545 ( 3.950 -0.000 -1.315) 4.163 5.612 ( -0.826 0.000 12.632) 12.659 5.686 ( -5.391 0.000 2.051) 5.767 5.734 ( -2.502 0.000 -0.160) 2.507 6.232 ( -2.505 0.000 -3.506) 4.309 6.370 ( -5.083 0.000 2.725) 5.768 6.456 ( -4.419 0.000 -14.818) 15.463 6.512 ( 3.764 -0.000 4.353) 5.755 6.684 ( -2.043 0.000 -2.343) 3.109 6.933 ( 0.393 -0.000 7.210) 7.220 7.029 ( -9.206 0.000 -3.035) 9.693 7.162 ( -7.498 0.000 6.499) 9.923 7.261 ( 3.005 -0.000 4.802) 5.665 7.286 ( 0.320 -0.000 -2.400) 2.421 7.487 ( 8.105 -0.000 4.772) 9.405 7.548 ( -9.510 0.000 6.426) 11.478 7.753 ( -1.612 0.000 3.592) 3.937 7.816 ( -2.602 0.000 0.889) 2.750 8.085 ( 9.257 -0.000 7.873) 12.152 8.336 ( 7.120 -0.000 2.645) 7.596 8.387 ( -6.653 0.000 -13.029) 14.629 8.652 ( -3.616 0.000 -4.779) 5.993 8.687 ( 9.093 -0.000 1.077) 9.157 8.841 ( 6.091 -0.000 4.122) 7.355 8.901 ( 7.182 -0.000 -1.564) 7.350 9.423 ( -6.760 0.000 -8.366) 10.756 9.539 ( 10.772 -0.000 8.498) 13.720 10.252 ( -2.402 0.000 -0.247) 2.414 10.447 ( 5.079 -0.000 1.390) 5.265 10.841 ( 7.769 -0.000 7.793) 11.004 11.037 ( 1.485 -0.000 -4.918) 5.137 11.060 ( 0.398 -0.000 1.158) 1.224 11.220 ( 0.873 -0.000 -0.653) 1.090 11.664 ( -13.100 0.000 0.702) 13.119 12.084 ( -1.707 0.000 0.067) 1.708 12.090 ( -1.621 0.000 -0.606) 1.730 12.233 ( -12.401 0.000 -5.569) 13.594 12.253 ( 1.373 -0.000 2.769) 3.090 12.447 ( -3.082 0.000 -2.097) 3.728 12.970 ( -13.556 0.000 -6.236) 14.922 13.738 ( -2.359 0.000 0.606) 2.436 13.784 ( 4.461 -0.000 -8.534) 9.629 14.113 ( 1.178 -0.000 3.815) 3.993 14.203 ( 8.669 -0.000 -2.416) 9.000 14.288 ( -4.185 0.000 -3.189) 5.261 14.386 ( -1.505 0.000 -7.192) 7.348 14.739 ( 1.176 -0.000 4.239) 4.399 14.857 ( 6.701 -0.000 -1.271) 6.821 15.093 ( -16.189 0.000 -2.080) 16.322 15.335 ( -3.607 0.000 -0.924) 3.723 15.428 ( 10.844 -0.000 4.673) 11.808 16.247 ( 1.364 -0.000 0.704) 1.535 16.411 ( 1.749 -0.000 -0.946) 1.989 19.906 ( 3.051 -0.000 1.623) 3.455 19.943 ( -0.002 0.000 -2.337) 2.337 20.382 ( 2.835 -0.000 2.867) 4.032 20.392 ( -2.850 0.000 -1.721) 3.329 24.531 ( 0.889 -0.000 2.719) 2.861 24.620 ( 1.743 -0.000 -2.073) 2.708 24.718 ( 1.613 -0.000 -1.607) 2.277 25.225 ( 12.302 -0.000 -18.816) 22.481 25.988 ( -1.154 0.000 5.676) 5.792 26.081 ( -0.840 0.000 -5.776) 5.837 26.222 ( -5.908 0.000 12.294) 13.640 26.929 ( -3.889 0.000 1.754) 4.267 27.028 ( 1.018 -0.000 0.551) 1.158 27.040 ( 0.517 -0.000 -0.130) 0.533 27.134 ( -2.188 0.000 1.229) 2.509 27.664 ( -1.431 0.000 -1.832) 2.325 27.897 ( -1.340 0.000 -0.551) 1.449 28.022 ( -1.349 0.000 -3.613) 3.856 28.221 ( -6.491 0.000 -0.463) 6.508 28.226 ( -15.847 0.000 7.509) 17.536 28.696 ( 2.111 -0.000 -2.529) 3.294 28.720 ( -5.059 0.000 13.439) 14.360 29.427 ( 23.480 -0.000 -21.842) 32.068 29.548 ( 7.119 -0.000 5.601) 9.058 ======================= Grid point 130 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 7.260 -10.373 15.766) 20.221 1.296 ( 13.605 -18.869 11.690) 26.034 1.515 ( -2.175 1.876 -6.399) 7.014 1.696 ( 5.495 -2.860 -8.694) 10.675 1.950 ( 9.441 -3.386 -5.788) 11.580 2.051 ( 4.507 -7.301 -4.970) 9.916 2.228 ( 5.290 -0.900 10.387) 11.692 2.382 ( -2.421 -4.606 3.367) 6.198 2.687 ( 6.729 -0.587 0.865) 6.810 2.798 ( 0.409 2.143 -3.566) 4.180 2.882 ( 2.281 -1.434 -1.916) 3.306 2.939 ( 1.587 -3.439 7.669) 8.553 3.067 ( 1.156 -5.485 -3.977) 6.873 3.135 ( 3.893 0.150 0.806) 3.978 3.264 ( 4.711 0.471 7.552) 8.913 3.384 ( -5.141 5.529 -5.395) 9.279 3.466 ( -1.596 2.075 -0.996) 2.801 3.520 ( 5.594 0.872 3.346) 6.577 3.885 ( -2.368 0.383 1.088) 2.634 3.923 ( 0.887 -0.359 9.864) 9.910 4.027 ( 3.323 -0.626 -1.823) 3.842 4.125 ( 1.053 -1.963 -5.139) 5.601 4.239 ( 2.325 -6.586 -1.935) 7.248 4.498 ( 3.501 -2.854 -1.429) 4.737 4.652 ( -8.536 2.326 -2.184) 9.113 4.767 ( -8.320 -5.049 -1.141) 9.799 4.975 ( -1.308 8.115 -0.985) 8.279 5.176 ( 0.921 3.398 -5.360) 6.413 5.236 ( 3.112 8.523 -0.509) 9.087 5.281 ( 1.376 0.412 -2.886) 3.224 5.366 ( -3.922 -2.575 -5.762) 7.430 5.548 ( -3.721 2.973 5.251) 7.089 5.576 ( 1.580 1.253 7.092) 7.373 5.670 ( -1.246 -0.901 -2.069) 2.577 5.744 ( 1.666 -0.744 -2.543) 3.129 6.213 ( -3.968 0.984 -4.728) 6.250 6.286 ( -8.923 5.852 -7.141) 12.840 6.382 ( -3.801 1.441 1.746) 4.424 6.525 ( 6.058 1.321 0.208) 6.204 6.672 ( -2.363 -0.058 0.496) 2.415 6.869 ( -2.927 3.221 3.232) 5.421 7.013 ( -8.899 2.713 7.695) 12.073 7.114 ( 0.733 0.832 0.210) 1.129 7.265 ( -0.020 0.347 -1.852) 1.884 7.350 ( -6.646 -7.025 0.669) 9.694 7.442 ( -6.387 4.117 6.450) 9.967 7.603 ( 0.997 -4.334 0.857) 4.529 7.672 ( 1.334 3.800 1.293) 4.230 7.842 ( -1.449 0.398 3.664) 3.960 8.062 ( 5.077 7.675 3.436) 9.823 8.228 ( 5.150 9.503 1.738) 10.948 8.392 ( -2.076 -3.479 -8.387) 9.314 8.618 ( 5.724 4.217 1.070) 7.190 8.752 ( 7.952 6.468 -2.922) 10.659 8.787 ( 1.380 1.480 -0.449) 2.073 8.876 ( 2.384 3.200 -0.177) 3.995 9.494 ( -1.196 -8.496 -4.327) 9.609 9.659 ( 6.232 -5.913 5.614) 10.263 10.262 ( -2.123 -2.287 -0.224) 3.129 10.521 ( 4.302 -4.276 1.281) 6.199 10.957 ( 7.087 -5.330 4.154) 9.792 11.087 ( 3.343 -4.729 -0.417) 5.806 11.133 ( 1.736 -6.128 0.425) 6.384 11.269 ( 0.512 -4.370 -0.548) 4.434 11.629 ( -13.015 -4.296 -0.495) 13.715 12.052 ( -8.264 0.659 -2.569) 8.679 12.085 ( -0.419 -0.369 -0.821) 0.992 12.123 ( -5.914 2.253 -4.006) 7.490 12.298 ( 0.649 -2.694 3.187) 4.224 12.490 ( -3.970 -4.729 -3.401) 7.049 12.906 ( -7.652 -0.647 -1.960) 7.925 13.705 ( 0.579 2.906 -1.671) 3.402 13.777 ( 4.184 3.281 -4.954) 7.268 14.017 ( 5.802 15.056 3.471) 16.505 14.099 ( -2.980 0.990 2.647) 4.107 14.287 ( -2.172 1.644 -3.986) 4.828 14.377 ( 2.487 1.763 -4.624) 5.538 14.721 ( -0.351 2.036 2.657) 3.366 14.808 ( 4.870 8.982 6.647) 12.189 14.907 ( -8.334 7.079 -1.703) 11.066 15.119 ( -1.934 9.019 -5.496) 10.737 15.570 ( 5.020 -0.661 1.753) 5.358 16.292 ( 2.596 -3.113 1.850) 4.456 16.398 ( 1.870 0.954 0.727) 2.221 19.938 ( 0.453 -3.062 -0.569) 3.147 20.035 ( 0.662 -6.142 -0.868) 6.238 20.366 ( -2.839 0.784 -1.444) 3.280 20.393 ( 1.887 0.471 2.426) 3.110 24.527 ( 0.626 0.943 2.654) 2.885 24.611 ( 1.942 1.883 -1.929) 3.323 24.725 ( 2.196 0.495 -1.100) 2.505 25.161 ( 9.052 8.905 -8.726) 15.407 25.967 ( -1.214 0.208 4.747) 4.904 26.103 ( -0.456 -2.659 -5.423) 6.056 26.213 ( -1.597 -0.336 9.715) 9.851 26.872 ( -6.568 3.204 1.216) 7.408 27.033 ( 1.167 -0.987 -1.896) 2.435 27.099 ( 2.024 -4.085 -0.564) 4.593 27.130 ( 1.625 -0.719 3.432) 3.865 27.643 ( -3.556 1.424 -3.004) 4.868 27.926 ( -0.232 -2.093 -0.657) 2.206 27.951 ( -0.542 -1.507 0.279) 1.626 28.235 ( -3.930 -11.660 3.186) 12.710 28.342 ( -8.544 -6.359 -1.577) 10.766 28.608 ( 2.467 4.801 3.823) 6.615 28.811 ( -5.223 -4.175 4.045) 7.815 29.445 ( 8.796 6.895 -3.500) 11.711 29.632 ( 5.189 -1.895 -8.792) 10.383 ======================= Grid point 131 (53/141) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.233 -9.311 6.796) 11.529 1.448 ( -2.989 0.858 -3.349) 4.570 1.752 ( 6.672 -19.954 7.075) 22.197 1.895 ( 13.738 -10.290 -0.170) 17.165 2.043 ( 7.318 -0.768 -5.782) 9.358 2.223 ( 2.248 -7.553 1.197) 7.971 2.271 ( 4.861 -2.806 -7.655) 9.492 2.494 ( 3.017 -5.902 2.836) 7.209 2.666 ( 3.687 4.835 -2.497) 6.573 2.780 ( -3.876 -2.228 -2.490) 5.117 2.895 ( -6.840 -1.165 0.732) 6.977 3.049 ( -9.127 1.026 0.086) 9.184 3.089 ( 2.025 -2.677 2.698) 4.307 3.175 ( 1.344 1.057 -0.141) 1.716 3.300 ( 4.737 1.955 3.368) 6.133 3.356 ( 6.897 -7.143 -0.527) 9.944 3.425 ( 0.650 1.167 1.048) 1.698 3.527 ( 2.449 -0.814 3.631) 4.455 3.891 ( 1.223 -1.331 2.535) 3.114 3.980 ( 1.042 -2.734 5.361) 6.107 4.050 ( 6.714 1.748 -3.945) 7.981 4.172 ( 3.052 -2.240 -1.044) 3.927 4.400 ( 7.468 -5.973 -2.234) 9.820 4.545 ( -0.219 1.046 1.864) 2.148 4.568 ( -8.967 0.118 2.194) 9.232 4.798 ( -4.297 7.407 -0.054) 8.563 4.826 ( -5.562 -3.578 -2.771) 7.170 5.009 ( 4.187 12.163 -1.825) 12.992 5.068 ( -4.615 6.700 1.650) 8.301 5.251 ( -1.256 5.685 -0.798) 5.876 5.333 ( -2.147 4.283 -0.468) 4.813 5.481 ( -1.002 0.437 -4.024) 4.170 5.544 ( -0.787 1.602 7.911) 8.110 5.678 ( -2.148 1.883 -8.254) 8.734 5.757 ( 2.132 0.364 -0.130) 2.167 6.035 ( -7.532 7.240 -8.858) 13.697 6.178 ( -5.234 3.441 -4.488) 7.705 6.345 ( 0.055 1.801 2.254) 2.886 6.551 ( 3.954 -0.349 1.952) 4.423 6.649 ( -0.257 1.785 1.295) 2.220 6.772 ( -2.477 5.415 4.701) 7.587 6.919 ( -1.129 0.865 6.624) 6.775 7.105 ( 1.721 1.524 -4.019) 4.630 7.237 ( -5.754 4.005 0.749) 7.051 7.307 ( -2.172 -1.828 -0.943) 2.992 7.506 ( -1.808 -4.647 4.924) 7.008 7.568 ( -1.077 2.875 3.450) 4.618 7.637 ( -3.345 5.370 -0.872) 6.387 7.770 ( 1.434 5.261 0.524) 5.478 7.890 ( -1.336 8.344 3.418) 9.116 8.112 ( -0.754 2.671 -1.915) 3.372 8.456 ( 3.358 7.932 -2.844) 9.071 8.485 ( 1.726 3.122 -2.479) 4.344 8.649 ( 9.394 4.486 3.651) 11.032 8.818 ( -0.358 -0.844 -5.060) 5.143 8.846 ( 1.339 0.472 -0.022) 1.419 9.679 ( 2.090 -9.764 -1.701) 10.129 9.834 ( 1.759 -9.032 2.365) 9.501 10.306 ( -1.407 -3.055 0.469) 3.396 10.649 ( 3.611 -5.805 1.596) 7.020 11.083 ( 2.759 -4.800 -1.014) 5.628 11.244 ( 3.653 -7.265 -2.034) 8.382 11.304 ( 5.041 -7.852 4.307) 10.277 11.383 ( 3.067 -6.588 3.190) 7.936 11.664 ( -12.383 -6.856 -3.229) 14.518 11.959 ( -12.506 1.298 -5.949) 13.909 12.086 ( -0.804 -0.434 -0.167) 0.929 12.109 ( 2.082 -0.611 -0.832) 2.324 12.336 ( -1.418 -0.502 3.219) 3.553 12.564 ( -0.964 -4.857 -2.075) 5.369 12.906 ( -3.745 -2.610 0.627) 4.608 13.575 ( 12.494 14.459 0.309) 19.112 13.706 ( 0.161 3.131 1.457) 3.457 13.863 ( -0.368 3.027 -0.301) 3.064 14.057 ( -5.899 0.258 0.270) 5.911 14.223 ( -0.958 3.349 -2.985) 4.587 14.315 ( 1.322 5.547 -1.871) 6.001 14.628 ( 1.841 6.841 6.362) 9.522 14.692 ( -3.891 4.020 -0.542) 5.621 14.734 ( -3.819 5.744 -1.211) 7.003 14.974 ( 0.616 5.992 -4.733) 7.660 15.534 ( 3.452 6.005 -0.163) 6.929 16.367 ( 2.035 -2.228 1.600) 3.416 16.417 ( 2.953 -1.262 0.808) 3.311 20.023 ( -0.026 -5.057 -0.537) 5.086 20.150 ( 1.248 -4.914 -0.231) 5.075 20.328 ( -3.408 0.921 -1.537) 3.850 20.394 ( 0.936 0.335 2.011) 2.243 24.509 ( 0.476 1.210 2.308) 2.649 24.572 ( 1.944 3.053 -1.786) 4.036 24.723 ( 1.889 0.848 -0.528) 2.136 25.048 ( 6.494 7.039 -3.078) 10.060 25.981 ( -0.470 -1.812 2.424) 3.062 26.158 ( -3.152 -3.650 -2.706) 5.530 26.222 ( 0.334 -0.735 8.014) 8.055 26.759 ( -5.434 3.721 -1.677) 6.796 27.074 ( 1.749 -1.671 -1.332) 2.762 27.148 ( 0.809 -1.464 3.783) 4.136 27.207 ( 5.454 -2.195 -1.121) 5.985 27.566 ( -5.611 2.292 -5.118) 7.933 28.006 ( -0.473 -7.475 -0.518) 7.508 28.095 ( 3.528 -8.628 1.987) 9.531 28.349 ( -2.464 -0.783 -2.428) 3.547 28.521 ( 1.482 -4.209 -0.118) 4.464 28.546 ( -2.737 -8.837 5.459) 10.741 28.820 ( -4.107 -0.134 1.952) 4.549 29.317 ( 2.671 8.863 2.023) 9.476 29.638 ( -0.683 1.552 -8.639) 8.804 ======================= Grid point 132 (54/141) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -0.885 -8.436 -1.710) 8.653 1.465 ( -1.906 -4.257 0.368) 4.679 2.043 ( 10.972 2.313 -4.523) 12.091 2.153 ( 8.367 -9.130 2.959) 12.732 2.193 ( 5.348 -14.722 1.562) 15.741 2.326 ( 7.475 -0.312 -0.952) 7.542 2.435 ( 4.005 -10.198 -2.670) 11.277 2.553 ( 0.155 2.994 -2.780) 4.089 2.663 ( 3.279 -3.559 -1.076) 4.957 2.837 ( -4.264 -3.699 2.510) 6.178 2.864 ( -9.069 -3.922 -3.728) 10.560 2.978 ( -4.945 0.921 -1.926) 5.386 3.068 ( -3.041 1.894 1.972) 4.089 3.159 ( -3.073 2.656 -1.036) 4.192 3.277 ( 3.830 -0.380 6.201) 7.298 3.424 ( -0.949 -2.043 1.539) 2.728 3.515 ( 1.939 -7.134 -4.153) 8.480 3.656 ( 3.483 -6.836 4.430) 8.860 3.933 ( 4.336 1.385 -1.196) 4.706 3.972 ( 0.258 1.672 0.227) 1.707 4.069 ( 4.063 -1.132 -1.740) 4.562 4.211 ( 4.785 2.163 1.202) 5.387 4.324 ( -4.310 13.465 1.348) 14.202 4.480 ( -3.799 5.451 -2.169) 6.989 4.623 ( -0.096 1.804 -2.524) 3.103 4.656 ( -2.266 1.127 5.792) 6.321 4.735 ( 2.443 11.768 0.131) 12.019 4.821 ( -2.690 4.213 6.918) 8.534 5.026 ( -4.761 4.552 -4.310) 7.872 5.043 ( -6.023 -0.212 2.498) 6.524 5.268 ( 2.883 0.716 4.142) 5.097 5.426 ( -1.063 9.052 7.949) 12.094 5.522 ( 3.245 -0.888 -6.239) 7.088 5.640 ( -4.498 -3.410 -7.578) 9.449 5.758 ( 0.971 1.396 0.162) 1.708 5.912 ( -0.996 4.130 -6.090) 7.425 6.062 ( -2.275 4.400 -0.783) 5.015 6.312 ( 1.610 1.289 -1.405) 2.496 6.582 ( 3.031 1.111 3.904) 5.066 6.621 ( -1.795 -2.370 -4.441) 5.344 6.686 ( -0.969 2.525 6.410) 6.957 6.930 ( 1.927 0.039 -0.111) 1.930 7.090 ( 3.424 1.342 -2.718) 4.573 7.147 ( 0.737 4.450 4.240) 6.191 7.246 ( -5.784 9.172 -5.167) 12.012 7.438 ( -0.289 3.388 4.409) 5.568 7.487 ( 1.867 5.293 2.351) 6.085 7.626 ( -1.698 6.341 -0.342) 6.573 7.648 ( -5.022 -4.108 4.831) 8.089 7.845 ( -5.618 -5.827 -1.636) 8.258 8.090 ( 0.723 0.530 -2.133) 2.314 8.247 ( 3.025 9.145 -0.470) 9.644 8.468 ( -2.325 2.097 -2.275) 3.871 8.616 ( 6.692 4.531 2.569) 8.480 8.836 ( -2.457 0.283 -5.214) 5.771 8.854 ( 4.554 -0.786 1.775) 4.950 9.886 ( 2.668 -9.577 -1.126) 10.005 10.015 ( -1.469 -8.824 0.192) 8.948 10.358 ( -0.024 -2.756 1.608) 3.191 10.770 ( 2.196 -4.134 1.387) 4.882 11.188 ( 1.127 -4.723 -1.219) 5.006 11.377 ( 1.295 -4.661 -2.949) 5.666 11.435 ( 2.222 -4.411 -0.567) 4.971 11.589 ( 10.668 -7.771 10.275) 16.726 11.727 ( -9.095 -5.722 -4.127) 11.511 11.865 ( -10.712 0.205 -5.054) 11.847 12.100 ( -0.038 -0.889 0.499) 1.020 12.136 ( 1.792 -0.768 -1.061) 2.220 12.291 ( -2.005 3.795 2.421) 4.928 12.662 ( 0.774 -4.682 -1.752) 5.058 12.947 ( -1.713 -2.901 1.647) 3.750 13.394 ( 8.940 9.857 3.416) 13.738 13.661 ( -0.839 1.465 0.245) 1.706 13.805 ( 0.303 3.445 -1.834) 3.914 14.034 ( -8.761 -2.348 -4.709) 10.220 14.132 ( 0.736 5.911 0.702) 5.998 14.219 ( -0.381 2.807 0.148) 2.837 14.545 ( 1.009 3.399 3.342) 4.872 14.573 ( -5.563 2.250 -3.567) 6.981 14.656 ( 2.330 3.693 4.380) 6.184 14.876 ( 0.820 4.222 -3.286) 5.413 15.400 ( 1.410 8.763 -2.061) 9.112 16.401 ( 1.254 -0.439 0.882) 1.595 16.461 ( 2.497 -0.910 0.736) 2.758 20.119 ( 0.238 -4.454 -0.270) 4.469 20.233 ( 2.378 -1.996 0.780) 3.201 20.299 ( -3.587 -0.784 -1.779) 4.080 20.395 ( -0.131 -0.157 1.305) 1.321 24.490 ( 0.031 0.984 1.651) 1.922 24.522 ( 1.809 2.970 -1.669) 3.857 24.715 ( 1.162 0.972 0.031) 1.516 24.954 ( 3.260 5.654 -1.627) 6.726 26.025 ( -0.483 -2.738 1.989) 3.418 26.203 ( -4.417 -3.962 1.814) 6.205 26.247 ( 1.072 -0.531 4.148) 4.317 26.680 ( -2.361 1.757 -3.052) 4.240 27.095 ( 1.434 0.623 -0.516) 1.647 27.188 ( 3.267 0.113 1.433) 3.570 27.232 ( 2.537 1.013 -0.807) 2.848 27.525 ( -5.238 -2.232 -5.509) 7.923 28.163 ( 0.222 -7.383 -0.652) 7.415 28.245 ( -0.634 -3.078 1.409) 3.444 28.347 ( 3.165 0.017 0.848) 3.277 28.484 ( 3.536 0.770 2.726) 4.531 28.775 ( -3.387 -1.046 0.767) 3.627 28.878 ( -2.303 -14.534 -4.154) 15.291 29.171 ( 0.529 5.644 6.638) 8.729 29.581 ( -2.634 2.602 -5.713) 6.808 ======================= Grid point 133 (55/141) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.896 -5.881 -4.336) 7.549 1.570 ( -0.895 -5.760 -0.304) 5.837 2.045 ( 11.957 3.862 -4.476) 13.338 2.241 ( 5.379 2.965 0.621) 6.174 2.346 ( 5.344 0.080 -2.518) 5.908 2.445 ( -0.910 -0.453 1.716) 1.995 2.518 ( -0.806 -4.180 -1.185) 4.419 2.593 ( -1.463 -3.791 -6.671) 7.811 2.726 ( -9.768 3.127 -0.208) 10.259 2.833 ( 4.533 -8.757 -1.379) 9.957 2.881 ( -4.698 3.172 -0.327) 5.679 2.927 ( -6.240 0.373 7.015) 9.397 3.082 ( 0.413 -2.867 5.061) 5.831 3.172 ( 3.443 -7.141 -6.895) 10.507 3.421 ( 4.894 -10.830 5.242) 12.990 3.469 ( -2.914 -2.381 5.617) 6.761 3.702 ( 2.309 -8.282 -2.899) 9.073 3.724 ( -2.785 1.819 -5.019) 6.021 3.852 ( 1.163 5.087 -2.964) 6.001 3.995 ( 2.772 0.989 0.467) 2.980 4.005 ( -2.628 11.302 -0.955) 11.643 4.082 ( 2.626 2.657 -1.527) 4.036 4.196 ( 6.529 2.586 1.840) 7.260 4.346 ( -2.909 4.439 1.125) 5.426 4.427 ( -2.269 11.175 -3.699) 11.988 4.480 ( -6.230 5.919 0.608) 8.616 4.601 ( -2.462 2.645 6.285) 7.250 4.822 ( -3.609 5.615 4.185) 7.879 4.877 ( 2.354 -2.286 5.732) 6.605 5.209 ( -1.731 -7.069 3.831) 8.225 5.243 ( -1.592 3.683 0.164) 4.016 5.325 ( 2.389 -1.886 5.847) 6.592 5.522 ( 2.373 3.596 -3.197) 5.365 5.658 ( -0.558 1.747 -2.696) 3.260 5.725 ( -0.511 0.923 -2.263) 2.497 5.837 ( 1.383 3.318 -0.877) 3.700 6.029 ( 0.969 -1.307 -1.133) 1.982 6.325 ( 0.449 -0.839 -5.044) 5.133 6.573 ( 2.372 0.274 -0.597) 2.462 6.647 ( -0.939 1.393 5.138) 5.405 6.713 ( -1.232 -6.505 -1.817) 6.865 6.853 ( -4.216 8.051 -4.587) 10.180 7.019 ( -3.617 4.386 -0.061) 5.686 7.081 ( 1.846 1.393 -2.376) 3.316 7.105 ( 5.603 2.806 4.861) 7.930 7.384 ( -0.207 4.566 -0.413) 4.590 7.397 ( 0.774 4.600 2.145) 5.134 7.494 ( -0.539 4.646 1.135) 4.812 7.723 ( -2.021 -5.283 6.034) 8.270 7.999 ( -4.275 -6.882 -7.413) 10.981 8.041 ( 1.057 -0.473 0.303) 1.197 8.221 ( 2.891 -3.490 4.266) 6.224 8.385 ( -6.451 2.938 -6.981) 9.949 8.568 ( 7.796 4.851 5.143) 10.524 8.795 ( -1.594 2.131 -3.991) 4.796 8.872 ( 1.164 1.347 0.745) 1.930 10.059 ( 2.953 -5.519 -0.889) 6.322 10.143 ( -3.935 -5.897 -1.029) 7.163 10.421 ( 1.940 -3.005 2.340) 4.275 10.817 ( -0.734 -0.037 -0.154) 0.751 11.274 ( 1.436 -2.931 0.306) 3.278 11.448 ( 0.994 -2.013 -0.599) 2.323 11.508 ( 2.136 -1.187 -1.129) 2.691 11.673 ( -1.834 2.216 0.894) 3.013 11.833 ( 8.657 -5.201 6.541) 12.032 11.857 ( -9.263 -5.709 -5.243) 12.079 12.109 ( -0.491 -0.085 -0.599) 0.779 12.150 ( -0.040 0.481 -0.831) 0.961 12.201 ( 0.002 3.267 2.009) 3.836 12.723 ( -2.074 -1.590 -3.470) 4.344 12.994 ( -0.174 -2.200 2.169) 3.094 13.300 ( 2.370 3.683 1.338) 4.580 13.640 ( -0.481 0.165 0.309) 0.595 13.740 ( 0.182 2.853 -0.951) 3.013 13.996 ( -5.474 0.832 -6.585) 8.603 14.086 ( 4.072 0.237 5.963) 7.225 14.198 ( -1.368 -0.387 -0.767) 1.615 14.476 ( -2.690 2.055 -1.305) 3.628 14.559 ( 0.237 -0.346 -0.341) 0.541 14.622 ( 2.842 1.008 5.389) 6.175 14.826 ( -0.018 0.530 -1.788) 1.865 15.226 ( -0.219 8.758 -3.474) 9.424 16.402 ( 0.510 0.878 0.967) 1.403 16.475 ( 1.035 0.523 0.092) 1.163 20.189 ( 0.422 -2.268 -0.617) 2.388 20.250 ( 0.340 0.037 1.107) 1.158 20.322 ( -0.541 -1.883 -1.255) 2.326 20.400 ( -0.662 -0.606 0.836) 1.227 24.472 ( -0.000 1.099 0.101) 1.103 24.486 ( 1.148 1.224 -0.796) 1.858 24.700 ( 0.496 0.977 0.416) 1.172 24.864 ( 0.474 4.569 -1.126) 4.729 26.079 ( -0.498 -2.929 2.953) 4.189 26.236 ( 0.343 1.577 6.416) 6.616 26.286 ( -2.307 -5.947 -1.221) 6.494 26.650 ( -0.362 0.802 -3.602) 3.707 27.078 ( 0.452 1.282 -0.376) 1.410 27.120 ( 2.894 6.221 -2.260) 7.224 27.274 ( -0.245 -2.760 2.225) 3.554 27.565 ( -1.956 -3.443 -5.652) 6.901 28.227 ( -0.001 1.039 0.392) 1.111 28.261 ( -0.399 -0.758 -2.182) 2.344 28.358 ( 1.887 0.208 3.537) 4.014 28.546 ( 1.945 -2.783 3.061) 4.572 28.773 ( -0.238 -0.609 0.546) 0.852 28.979 ( -3.808 1.146 -4.186) 5.774 29.260 ( 3.084 -11.301 4.032) 12.389 29.506 ( -2.829 3.058 -2.400) 4.807 ======================= Grid point 134 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.990 0.542 -4.310) 5.273 1.658 ( 0.802 -3.098 -2.010) 3.779 2.003 ( 8.437 6.682 -2.515) 11.052 2.175 ( -0.591 4.567 1.021) 4.717 2.291 ( -8.553 6.862 1.074) 11.018 2.329 ( -0.924 6.635 -5.700) 8.796 2.485 ( 2.426 9.014 2.655) 9.705 2.658 ( 3.194 1.805 -1.915) 4.139 2.677 ( -1.710 -5.953 -1.151) 6.300 2.838 ( -6.336 -1.888 -1.238) 6.726 2.855 ( -4.450 -2.313 -1.855) 5.348 3.059 ( 4.258 -5.495 1.804) 7.182 3.185 ( 1.947 -3.642 8.787) 9.709 3.314 ( 4.124 -5.237 -3.697) 7.622 3.356 ( -5.549 11.930 2.973) 13.489 3.580 ( -7.478 0.967 -5.787) 9.505 3.645 ( 1.161 -0.281 -2.610) 2.871 3.761 ( 2.321 2.674 3.217) 4.784 3.802 ( 2.865 -0.640 -0.110) 2.937 3.927 ( 1.687 -2.339 -2.712) 3.958 3.964 ( 0.407 0.585 -2.890) 2.976 4.101 ( 1.468 -3.299 -2.041) 4.148 4.211 ( 5.672 -1.147 -2.752) 6.408 4.284 ( 4.272 3.402 0.989) 5.550 4.314 ( -3.346 -3.406 0.461) 4.797 4.482 ( -5.472 -6.718 2.039) 8.901 4.606 ( -1.885 -3.089 8.041) 8.818 4.773 ( 1.469 -2.919 6.318) 7.113 4.896 ( -0.338 0.914 5.019) 5.113 5.198 ( 0.033 -1.668 -1.980) 2.589 5.267 ( -1.366 2.899 5.809) 6.634 5.394 ( 0.187 -3.022 4.842) 5.711 5.489 ( 1.257 -1.599 1.117) 2.320 5.574 ( 3.159 4.301 1.424) 5.524 5.732 ( -0.262 -0.316 -3.922) 3.943 5.775 ( 0.146 3.345 -0.476) 3.382 6.062 ( 0.948 -0.110 -4.979) 5.070 6.277 ( -7.789 3.264 -10.577) 13.535 6.578 ( -1.949 0.406 -1.047) 2.249 6.628 ( -2.887 -0.442 0.494) 2.962 6.699 ( -4.929 -0.414 -5.830) 7.645 6.892 ( 4.513 -5.550 3.611) 8.013 6.921 ( 0.826 3.534 6.620) 7.550 7.061 ( 0.214 1.136 -1.649) 2.014 7.136 ( 10.616 0.054 3.096) 11.058 7.284 ( -3.450 2.597 0.375) 4.334 7.359 ( 0.078 -1.432 0.812) 1.648 7.441 ( 1.413 1.398 1.604) 2.554 7.817 ( 1.466 -3.527 4.639) 6.009 7.950 ( -0.083 2.255 -1.338) 2.623 8.212 ( -8.913 -9.551 -7.020) 14.830 8.279 ( -3.733 2.556 -8.159) 9.330 8.373 ( 5.590 -7.681 5.252) 10.855 8.524 ( 7.270 4.590 5.628) 10.276 8.742 ( 0.154 2.297 -3.071) 3.838 8.810 ( -3.963 3.833 -0.438) 5.531 10.106 ( 1.409 1.857 -0.117) 2.334 10.196 ( -2.789 -0.873 -1.995) 3.538 10.492 ( 3.654 -2.006 2.601) 4.914 10.778 ( -3.173 2.267 -0.892) 4.000 11.300 ( 1.244 1.462 0.532) 1.992 11.437 ( 0.831 4.401 1.308) 4.666 11.497 ( 0.633 2.791 -1.246) 3.122 11.656 ( 3.397 -1.407 4.419) 5.749 11.852 ( -10.270 -1.313 -7.894) 13.019 12.006 ( 11.703 -3.509 7.475) 14.323 12.096 ( -1.999 -0.232 -1.050) 2.270 12.137 ( -0.785 -0.416 1.060) 1.383 12.184 ( 0.516 0.035 -0.325) 0.611 12.692 ( -5.434 2.271 -4.685) 7.526 13.032 ( 0.746 -1.631 2.118) 2.775 13.262 ( -3.506 0.370 -2.996) 4.627 13.648 ( 0.718 -0.544 1.369) 1.639 13.713 ( 0.300 -0.373 -0.017) 0.478 13.994 ( 2.305 -2.064 -0.031) 3.094 14.125 ( 4.377 -0.966 3.658) 5.785 14.191 ( -1.748 0.451 -1.224) 2.181 14.436 ( -1.445 0.902 -1.035) 1.993 14.583 ( 1.164 -2.484 -0.056) 2.743 14.631 ( 0.082 0.329 2.588) 2.610 14.867 ( -1.403 -4.929 -0.290) 5.133 15.079 ( -0.053 5.177 -4.094) 6.600 16.377 ( 0.153 1.973 1.169) 2.299 16.459 ( -0.251 1.151 -0.333) 1.224 20.210 ( 0.206 -0.048 -0.953) 0.976 20.256 ( -0.426 -0.263 0.543) 0.738 20.344 ( 0.851 -0.214 -0.307) 0.929 20.409 ( -0.614 -0.634 0.578) 1.055 24.453 ( 1.115 0.850 -0.651) 1.546 24.484 ( -0.622 -0.707 -0.737) 1.196 24.684 ( 0.567 0.927 0.648) 1.265 24.786 ( -1.056 3.084 -0.801) 3.356 26.134 ( -0.872 -2.564 4.850) 5.555 26.191 ( 0.198 2.911 4.842) 5.653 26.416 ( 1.478 -7.350 -1.698) 7.687 26.619 ( -1.335 2.180 -3.766) 4.552 27.023 ( 0.714 3.895 -0.702) 4.021 27.063 ( -0.203 0.571 -0.912) 1.095 27.308 ( -0.138 -0.431 2.258) 2.303 27.610 ( 0.138 -1.684 -6.576) 6.790 28.216 ( 0.143 -0.448 0.264) 0.540 28.256 ( 0.166 0.143 -1.017) 1.041 28.351 ( 1.625 2.328 2.682) 3.905 28.576 ( -4.026 -0.796 -0.730) 4.168 28.761 ( 1.663 3.018 3.492) 4.906 28.962 ( 0.252 -1.585 0.030) 1.605 29.366 ( 1.848 6.023 -0.303) 6.307 29.534 ( -1.633 -10.119 -1.281) 10.330 ======================= Grid point 135 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.607 2.629 -2.567) 5.149 1.615 ( -1.682 7.653 -0.734) 7.870 1.949 ( 5.626 1.946 -2.559) 6.480 2.064 ( -8.587 4.314 1.518) 9.729 2.114 ( -6.302 6.846 -3.068) 9.798 2.161 ( 4.553 10.313 -1.688) 11.399 2.276 ( 7.634 13.538 8.740) 17.831 2.558 ( -0.025 8.011 -1.888) 8.231 2.766 ( -1.140 -2.590 -2.607) 3.847 2.874 ( -2.207 -2.437 -5.370) 6.296 2.931 ( -1.330 -6.417 -0.440) 6.568 3.067 ( -0.886 2.157 1.305) 2.672 3.152 ( -0.654 5.539 3.079) 6.371 3.251 ( 3.873 -0.078 12.841) 13.413 3.411 ( 0.965 -2.735 -4.125) 5.043 3.500 ( -2.389 3.152 -5.415) 6.706 3.545 ( -3.198 5.628 -6.923) 9.478 3.742 ( 5.950 2.442 0.991) 6.508 3.847 ( -3.197 -1.112 -3.920) 5.179 3.964 ( 3.473 -0.385 4.354) 5.583 4.042 ( -0.083 -5.762 -5.212) 7.770 4.155 ( 3.571 5.369 -2.535) 6.928 4.244 ( 0.360 -7.264 2.204) 7.599 4.312 ( -7.991 1.559 5.531) 9.843 4.431 ( 1.653 -9.602 -1.274) 9.827 4.547 ( 0.691 -5.927 -4.029) 7.200 4.742 ( -3.864 -10.790 5.945) 12.911 4.852 ( -1.379 2.025 3.778) 4.503 4.973 ( 6.313 -11.346 4.957) 13.898 5.159 ( 0.790 3.100 5.120) 6.037 5.316 ( 0.580 -6.847 2.445) 7.294 5.393 ( -2.174 4.145 3.212) 5.677 5.538 ( -3.348 -2.323 0.076) 4.076 5.577 ( 6.104 -2.531 5.548) 8.628 5.741 ( 0.038 0.494 0.501) 0.705 5.798 ( 1.232 -8.106 -6.264) 10.318 6.013 ( 2.583 4.507 -10.040) 11.304 6.187 ( -9.553 -2.203 -8.538) 13.001 6.526 ( -4.466 2.703 1.603) 5.461 6.618 ( -2.699 -0.550 -0.016) 2.755 6.733 ( 0.503 -2.495 -3.652) 4.452 6.826 ( 1.564 2.891 8.522) 9.134 7.015 ( -0.315 -0.453 -5.331) 5.360 7.105 ( -0.777 -7.321 4.809) 8.794 7.220 ( 7.775 -2.947 4.827) 9.615 7.296 ( 1.432 -4.439 0.911) 4.752 7.443 ( -4.509 -5.453 -1.407) 7.214 7.462 ( 6.430 -3.175 1.429) 7.312 7.871 ( 2.912 0.332 5.528) 6.257 7.929 ( -1.516 -1.224 -0.573) 2.031 8.170 ( -5.286 2.827 -7.827) 9.859 8.312 ( -4.759 -3.118 -5.535) 7.938 8.450 ( 3.974 6.242 3.995) 8.409 8.566 ( 3.137 -4.696 2.781) 6.295 8.685 ( -4.111 1.032 -3.813) 5.701 8.759 ( 0.953 -1.886 -1.210) 2.435 10.023 ( 0.779 7.010 0.551) 7.075 10.124 ( -1.084 6.599 -2.181) 7.034 10.532 ( 4.491 0.681 2.634) 5.250 10.696 ( -5.562 3.569 -1.390) 6.754 11.244 ( 2.545 4.782 1.128) 5.533 11.319 ( 3.027 8.002 3.467) 9.231 11.424 ( -0.572 4.481 -1.095) 4.649 11.745 ( 1.530 -2.151 0.800) 2.758 11.785 ( -2.966 0.477 -1.957) 3.585 12.081 ( 3.650 0.908 5.478) 6.645 12.127 ( -0.944 -0.099 -1.901) 2.125 12.151 ( 5.268 -2.948 1.761) 6.288 12.208 ( -0.636 -2.825 0.197) 2.903 12.571 ( -7.269 5.681 -4.156) 10.119 13.074 ( 0.809 -2.108 0.817) 2.401 13.228 ( -7.546 -0.378 -6.094) 9.707 13.666 ( 0.597 -0.976 1.839) 2.166 13.757 ( 0.574 -3.282 -0.257) 3.342 14.089 ( 2.818 -4.612 2.324) 5.883 14.145 ( -1.959 0.590 0.128) 2.050 14.197 ( 8.708 -0.884 3.409) 9.393 14.417 ( -1.861 -0.008 -1.594) 2.450 14.591 ( -2.019 1.490 2.336) 3.428 14.691 ( 0.542 -6.390 -0.665) 6.447 14.957 ( -1.412 -4.215 -1.415) 4.665 15.054 ( 0.154 -3.060 -3.498) 4.650 16.332 ( 1.116 2.901 1.761) 3.573 16.434 ( -0.908 0.991 -0.796) 1.562 20.202 ( -0.239 0.772 -1.172) 1.423 20.245 ( -0.919 1.056 -1.001) 1.721 20.338 ( 1.700 1.519 1.600) 2.785 20.418 ( -0.732 -0.630 -0.046) 0.967 24.453 ( 1.361 -0.035 -0.290) 1.392 24.500 ( -1.826 -1.600 -1.720) 2.975 24.677 ( 2.436 0.516 1.056) 2.705 24.734 ( -1.364 1.441 -0.645) 2.087 26.111 ( -0.858 3.511 3.542) 5.060 26.194 ( -0.113 -1.985 7.174) 7.444 26.517 ( 3.201 4.908 -3.902) 7.040 26.601 ( -3.149 -8.284 -1.751) 9.033 26.983 ( 0.616 0.629 0.139) 0.891 27.057 ( -0.185 -0.061 -1.189) 1.204 27.290 ( -0.507 2.095 2.410) 3.233 27.624 ( 1.084 0.106 -7.627) 7.704 28.251 ( 0.101 -2.651 0.144) 2.656 28.257 ( 2.725 2.637 0.767) 3.869 28.301 ( -0.783 0.731 1.458) 1.809 28.504 ( -6.507 5.232 -5.232) 9.853 28.721 ( 3.584 1.697 6.658) 7.749 29.024 ( 2.510 -3.346 1.954) 4.617 29.202 ( -0.473 10.554 3.167) 11.029 29.707 ( -1.721 -7.843 -6.120) 10.096 ======================= Grid point 136 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.500 12.670 3.594) 13.180 1.545 ( 1.046 0.570 -1.296) 1.760 1.812 ( 2.044 18.514 6.549) 19.745 1.878 ( -3.944 7.970 -4.789) 10.100 1.975 ( 7.545 4.913 -3.206) 9.557 2.044 ( 3.801 4.985 -1.697) 6.494 2.171 ( 4.734 1.887 8.481) 9.894 2.451 ( -1.153 1.274 -2.186) 2.780 2.770 ( -0.503 0.885 -2.213) 2.436 2.844 ( -3.132 4.413 -4.978) 7.352 3.022 ( 3.957 -0.623 0.845) 4.094 3.038 ( -0.553 2.008 4.632) 5.079 3.132 ( 3.681 -2.788 3.280) 5.664 3.242 ( 0.725 4.477 11.217) 12.099 3.367 ( 3.415 6.267 1.728) 7.344 3.419 ( -1.876 4.405 -4.169) 6.348 3.439 ( -11.030 0.208 -9.047) 14.267 3.748 ( 6.162 -0.030 -1.337) 6.306 3.818 ( -3.178 6.817 0.295) 7.527 3.863 ( -3.487 2.986 -4.852) 6.680 4.071 ( -1.393 2.418 -0.399) 2.819 4.128 ( 3.843 0.020 -4.491) 5.911 4.293 ( 0.558 -3.120 3.851) 4.987 4.411 ( 1.160 -9.065 5.419) 10.625 4.567 ( -2.476 -2.575 -7.090) 7.939 4.706 ( 2.489 -7.339 -5.299) 9.388 4.830 ( -2.588 -3.994 3.439) 5.872 4.944 ( -1.598 -9.489 4.876) 10.787 5.143 ( -0.240 -0.302 1.862) 1.902 5.194 ( -2.047 -1.069 0.168) 2.315 5.290 ( 0.419 -3.761 1.237) 3.981 5.441 ( 2.501 -3.706 6.296) 7.721 5.545 ( -5.286 -3.121 -1.788) 6.394 5.721 ( 4.699 -1.770 5.445) 7.407 5.757 ( -2.530 -3.922 -0.088) 4.668 5.909 ( 5.777 -5.152 -7.261) 10.613 6.101 ( 4.361 -9.443 -4.280) 11.247 6.234 ( -6.434 -6.804 -5.888) 11.061 6.436 ( -3.799 3.296 4.856) 6.991 6.646 ( 0.971 -3.051 4.118) 5.216 6.774 ( 2.124 -1.324 -2.071) 3.249 6.827 ( -2.595 -2.596 5.949) 6.991 7.028 ( 0.709 -1.419 -3.939) 4.247 7.231 ( -4.916 -7.485 3.175) 9.501 7.335 ( 3.166 -3.280 4.262) 6.241 7.440 ( 3.640 -7.702 -0.547) 8.537 7.519 ( 0.952 -5.319 -1.936) 5.740 7.591 ( -3.070 -6.157 -2.881) 7.458 7.835 ( -5.304 0.130 5.843) 7.892 7.992 ( 5.650 -0.193 2.935) 6.370 8.109 ( 4.648 0.791 -2.435) 5.307 8.255 ( -0.978 8.460 4.166) 9.481 8.357 ( -10.151 -3.566 -9.568) 14.398 8.588 ( 0.854 0.466 -1.134) 1.494 8.731 ( -2.068 -4.409 -2.374) 5.418 8.844 ( 3.366 -3.588 -3.712) 6.163 9.851 ( 0.444 10.711 1.008) 10.768 9.955 ( 0.752 9.678 -1.930) 9.897 10.514 ( 0.834 3.564 1.204) 3.853 10.579 ( -2.204 4.801 -0.539) 5.310 11.143 ( 3.456 8.194 4.453) 9.946 11.200 ( 5.476 6.147 2.427) 8.583 11.318 ( -0.382 5.756 0.145) 5.770 11.631 ( -7.991 5.713 -8.371) 12.906 11.897 ( 8.764 -3.095 7.721) 12.083 12.060 ( -2.264 1.512 0.588) 2.785 12.114 ( 0.348 0.374 0.963) 1.090 12.260 ( -1.189 -2.610 -0.448) 2.903 12.282 ( 12.076 -4.729 4.343) 13.677 12.399 ( -7.688 6.148 -1.886) 10.023 13.115 ( 0.650 -1.429 -0.944) 1.832 13.180 ( -10.828 -0.805 -7.560) 13.231 13.698 ( -0.134 -1.969 2.194) 2.951 13.827 ( -0.247 -3.470 -1.865) 3.947 14.092 ( -0.921 1.209 3.086) 3.440 14.211 ( -1.934 -5.022 0.283) 5.389 14.316 ( 13.352 -4.060 3.520) 14.393 14.408 ( -3.737 -0.695 -3.490) 5.161 14.572 ( -1.821 -1.294 5.071) 5.541 14.814 ( -2.728 -5.988 -1.904) 6.850 15.046 ( 1.587 -5.527 -0.916) 5.823 15.149 ( 0.124 -5.992 -3.725) 7.056 16.287 ( 3.384 2.986 2.822) 5.323 16.406 ( -0.782 1.295 -1.494) 2.126 20.164 ( -1.842 2.903 -2.069) 4.012 20.202 ( -0.455 2.648 -2.156) 3.445 20.322 ( 2.663 1.169 3.445) 4.508 20.422 ( -1.520 -0.494 -0.850) 1.810 24.467 ( 0.946 -0.620 0.346) 1.183 24.521 ( -2.069 -1.853 -2.284) 3.596 24.704 ( 4.554 -0.733 1.166) 4.758 24.712 ( 0.883 0.192 -0.556) 1.061 26.037 ( -0.191 3.658 2.481) 4.424 26.225 ( -1.236 -0.877 7.402) 7.556 26.399 ( -2.606 5.516 -0.291) 6.108 26.763 ( -0.463 -7.883 -1.960) 8.137 26.998 ( 2.308 -1.035 0.045) 2.530 27.057 ( 0.890 0.308 -1.539) 1.805 27.229 ( -1.000 3.532 2.780) 4.605 27.623 ( 1.059 -0.021 -8.323) 8.390 28.149 ( 2.665 7.984 2.478) 8.774 28.262 ( -4.346 6.991 -3.800) 9.067 28.338 ( 1.015 -3.899 0.288) 4.039 28.380 ( -1.081 -0.860 -1.669) 2.166 28.741 ( 4.264 -0.146 6.394) 7.687 28.959 ( -2.943 12.609 7.697) 15.063 29.122 ( 2.735 -4.812 0.733) 5.583 29.801 ( -4.705 -3.855 -11.286) 12.820 ======================= Grid point 140 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 10.756 -0.000 13.049) 16.911 1.185 ( 15.652 -0.000 13.347) 20.570 1.531 ( 2.861 -0.000 -6.620) 7.211 1.698 ( 4.029 -0.000 -11.293) 11.990 1.948 ( 5.625 -0.000 -8.547) 10.232 1.974 ( 1.640 -0.000 -4.564) 4.850 2.255 ( -10.229 0.000 -7.173) 12.493 2.317 ( 9.382 -0.000 23.987) 25.756 2.718 ( 3.406 -0.000 -0.638) 3.465 2.807 ( -1.516 0.000 -7.425) 7.579 2.881 ( 7.779 -0.000 0.334) 7.786 2.925 ( -4.765 0.000 3.453) 5.884 3.052 ( 11.398 -0.000 7.093) 13.425 3.187 ( 5.439 -0.000 2.141) 5.845 3.312 ( 9.447 -0.000 4.582) 10.499 3.436 ( 0.120 -0.000 -1.705) 1.709 3.463 ( -4.135 0.000 -5.036) 6.516 3.571 ( 4.074 -0.000 1.497) 4.340 3.870 ( -1.256 0.000 2.775) 3.045 3.927 ( -3.663 0.000 12.874) 13.385 4.021 ( 5.395 -0.000 2.446) 5.923 4.104 ( -0.615 0.000 -6.031) 6.062 4.176 ( 2.515 -0.000 -6.654) 7.113 4.482 ( 2.610 -0.000 -2.342) 3.507 4.617 ( -10.974 0.000 -3.552) 11.535 4.675 ( -5.916 0.000 3.574) 6.912 5.093 ( -1.354 0.000 -6.941) 7.072 5.129 ( -7.456 0.000 -2.482) 7.858 5.270 ( 5.846 -0.000 -5.114) 7.767 5.308 ( -1.253 0.000 -1.781) 2.177 5.389 ( 3.444 -0.000 -0.914) 3.563 5.557 ( -3.787 0.000 3.739) 5.321 5.648 ( 3.679 -0.000 7.935) 8.746 5.652 ( 1.871 -0.000 -5.561) 5.867 5.721 ( -0.359 0.000 -3.020) 3.041 6.188 ( -4.303 0.000 -4.437) 6.181 6.293 ( -7.398 0.000 -2.262) 7.736 6.381 ( -4.326 0.000 -4.706) 6.392 6.539 ( -0.117 0.000 -0.772) 0.781 6.666 ( 0.022 -0.000 -0.607) 0.607 6.896 ( -10.725 0.000 0.554) 10.739 6.920 ( -3.054 0.000 9.660) 10.131 7.124 ( -1.099 0.000 7.247) 7.330 7.287 ( -0.138 0.000 -2.823) 2.826 7.298 ( 2.004 -0.000 4.120) 4.581 7.468 ( -4.344 0.000 3.745) 5.736 7.553 ( 0.740 -0.000 5.146) 5.199 7.734 ( 0.132 -0.000 -0.388) 0.410 7.797 ( -0.984 0.000 0.905) 1.336 8.181 ( 2.094 -0.000 -0.840) 2.256 8.323 ( 0.587 -0.000 -5.741) 5.771 8.412 ( 4.885 -0.000 2.825) 5.643 8.622 ( -0.842 0.000 -2.994) 3.111 8.811 ( 10.125 -0.000 3.308) 10.651 8.912 ( 4.425 -0.000 2.953) 5.320 8.981 ( 5.902 -0.000 -2.080) 6.257 9.353 ( -3.271 0.000 -5.767) 6.630 9.650 ( 6.154 -0.000 7.129) 9.417 10.230 ( -1.044 0.000 0.055) 1.046 10.497 ( 2.838 -0.000 0.388) 2.865 10.948 ( 8.554 -0.000 5.230) 10.026 11.052 ( 1.845 -0.000 -5.458) 5.761 11.074 ( 1.664 -0.000 2.419) 2.936 11.233 ( 1.166 -0.000 -0.163) 1.177 11.509 ( -12.261 0.000 2.535) 12.521 11.995 ( -12.194 0.000 -6.205) 13.682 12.074 ( -0.944 0.000 -0.784) 1.227 12.129 ( -2.158 0.000 -1.445) 2.597 12.254 ( -1.423 0.000 2.263) 2.673 12.426 ( -0.644 0.000 -4.238) 4.286 12.860 ( -5.389 0.000 0.344) 5.400 13.719 ( -0.871 0.000 0.316) 0.927 13.791 ( -1.360 0.000 -5.446) 5.613 14.093 ( -3.579 0.000 -0.564) 3.623 14.245 ( -2.589 0.000 -1.907) 3.215 14.286 ( 5.258 -0.000 -1.881) 5.585 14.407 ( 4.943 -0.000 -4.326) 6.568 14.723 ( -2.416 0.000 0.503) 2.468 14.904 ( -14.442 0.000 -4.707) 15.189 14.951 ( 7.197 -0.000 -0.627) 7.224 15.294 ( -2.911 0.000 2.849) 4.073 15.534 ( 6.059 -0.000 2.104) 6.413 16.264 ( 1.378 -0.000 1.375) 1.947 16.416 ( -0.647 0.000 1.800) 1.912 19.943 ( 0.274 -0.000 -1.477) 1.502 19.944 ( 2.754 -0.000 1.520) 3.146 20.358 ( -2.389 0.000 -1.122) 2.639 20.412 ( 1.697 -0.000 2.248) 2.817 24.540 ( 0.168 -0.000 2.560) 2.566 24.640 ( 1.816 -0.000 -1.942) 2.659 24.747 ( 3.152 -0.000 -0.079) 3.153 25.294 ( 2.637 -0.000 -12.425) 12.702 25.955 ( -3.995 0.000 5.618) 6.894 26.078 ( 1.169 -0.000 -5.896) 6.011 26.233 ( 4.310 -0.000 6.498) 7.797 26.866 ( -6.734 0.000 3.330) 7.512 27.032 ( -0.916 0.000 -2.591) 2.748 27.040 ( 0.800 -0.000 0.563) 0.978 27.134 ( 1.367 -0.000 1.977) 2.404 27.630 ( -4.055 0.000 -1.182) 4.224 27.884 ( -0.705 0.000 -0.536) 0.886 27.975 ( -5.417 0.000 -2.194) 5.845 28.107 ( -5.233 0.000 4.646) 6.997 28.146 ( -5.517 0.000 -1.070) 5.620 28.697 ( -1.396 0.000 8.409) 8.524 28.727 ( 3.045 -0.000 -1.272) 3.300 29.618 ( 3.579 -0.000 5.154) 6.275 29.626 ( 13.565 -0.000 -14.903) 20.152 ======================= Grid point 141 (60/141) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.157 -5.636 10.993) 13.387 1.420 ( 5.197 -12.104 4.720) 13.992 1.509 ( 2.616 1.792 -1.849) 3.670 1.800 ( 11.367 -7.186 -3.829) 13.982 2.025 ( 3.927 -4.166 -6.348) 8.548 2.069 ( 0.464 -7.710 -3.712) 8.569 2.208 ( -3.758 -2.253 -8.186) 9.285 2.414 ( 3.105 -4.562 11.617) 12.861 2.721 ( -1.464 -0.448 -4.082) 4.360 2.771 ( -0.593 2.918 -7.328) 7.910 2.882 ( -5.046 1.257 5.582) 7.629 2.973 ( 1.596 -3.734 -2.577) 4.809 3.127 ( -3.388 4.832 4.870) 7.651 3.198 ( 16.980 -4.016 9.199) 19.725 3.343 ( -1.049 3.929 -1.583) 4.364 3.372 ( 9.569 1.615 0.277) 9.708 3.474 ( 4.233 1.079 2.160) 4.873 3.572 ( 1.781 1.829 -0.029) 2.553 3.864 ( -1.073 -0.584 3.171) 3.399 3.932 ( -0.468 -2.072 11.440) 11.635 4.091 ( 6.638 -1.896 -0.700) 6.939 4.139 ( 1.479 -2.833 -3.590) 4.806 4.257 ( 0.694 -7.683 -2.173) 8.014 4.510 ( -1.924 -1.237 -1.476) 2.722 4.557 ( -6.081 0.250 -0.107) 6.087 4.686 ( -4.120 -4.660 1.598) 6.422 4.943 ( -3.333 8.622 -3.986) 10.067 5.109 ( -7.203 1.930 -3.918) 8.424 5.260 ( -0.489 5.332 1.222) 5.492 5.325 ( 4.496 1.139 -2.016) 5.057 5.364 ( 3.019 2.436 -3.908) 5.506 5.490 ( -4.459 2.504 -0.989) 5.209 5.606 ( 1.644 4.544 4.969) 6.931 5.675 ( 2.318 -0.947 -5.387) 5.941 5.765 ( 1.104 -2.343 -4.918) 5.559 6.149 ( -5.153 2.733 -5.088) 7.740 6.177 ( -7.022 5.954 -6.817) 11.456 6.349 ( -1.940 -0.026 5.157) 5.510 6.552 ( -1.338 -1.089 -5.234) 5.511 6.668 ( 1.407 0.180 3.347) 3.635 6.824 ( -3.910 0.819 4.200) 5.796 6.921 ( -7.150 1.013 11.329) 13.435 7.136 ( 2.689 -0.513 0.569) 2.796 7.247 ( -2.101 1.429 -2.021) 3.247 7.309 ( -1.491 0.207 1.218) 1.936 7.379 ( -4.399 2.965 3.861) 6.561 7.589 ( -1.782 -1.954 1.432) 3.007 7.716 ( 3.319 1.483 2.510) 4.418 7.824 ( -1.533 -0.073 0.701) 1.687 8.103 ( 1.008 6.851 -3.134) 7.601 8.273 ( 1.185 13.261 1.861) 13.444 8.376 ( 1.664 -3.615 -3.654) 5.402 8.658 ( 1.650 -1.900 -0.671) 2.605 8.835 ( 4.767 9.968 0.439) 11.058 8.849 ( 6.833 5.617 -0.338) 8.852 8.898 ( 1.983 2.694 0.663) 3.410 9.489 ( 1.073 -10.733 -2.513) 11.075 9.717 ( 2.196 -3.945 4.584) 6.435 10.249 ( 0.111 -2.247 1.256) 2.577 10.557 ( 1.457 -4.490 -0.100) 4.722 11.033 ( 4.854 -2.757 0.350) 5.593 11.126 ( 2.866 -5.985 -3.836) 7.665 11.170 ( 3.562 -8.016 3.696) 9.518 11.283 ( 1.520 -4.582 1.120) 4.956 11.482 ( -10.437 -3.813 2.793) 11.458 11.917 ( -8.451 0.901 -4.540) 9.636 12.074 ( -0.776 -0.338 -0.764) 1.141 12.113 ( 0.980 0.229 -0.718) 1.237 12.282 ( -3.200 -2.886 1.926) 4.720 12.459 ( -1.292 -3.906 -4.835) 6.348 12.846 ( -2.947 -1.288 2.292) 3.949 13.702 ( -0.316 1.311 -0.700) 1.520 13.786 ( -1.308 -0.386 -5.369) 5.539 14.041 ( -3.009 4.755 -2.057) 5.991 14.078 ( 0.587 11.263 0.437) 11.286 14.289 ( 2.952 2.517 -1.086) 4.028 14.415 ( 3.018 2.798 -3.637) 5.492 14.695 ( -3.314 1.930 -0.574) 3.877 14.784 ( -9.141 3.119 -3.169) 10.165 14.879 ( 4.719 10.642 4.396) 12.444 15.128 ( 2.325 9.251 0.285) 9.543 15.603 ( 0.628 -0.322 -1.218) 1.407 16.318 ( 1.402 -3.608 1.980) 4.348 16.413 ( 0.434 -0.414 1.923) 2.014 19.948 ( 1.091 -2.357 0.046) 2.598 20.044 ( 0.742 -5.875 -0.254) 5.927 20.333 ( -1.942 1.121 -0.699) 2.349 20.412 ( 0.735 0.759 1.721) 2.020 24.532 ( -0.046 0.829 2.293) 2.439 24.633 ( 1.797 1.756 -1.787) 3.083 24.757 ( 3.040 0.938 0.765) 3.272 25.219 ( 2.321 6.762 -7.131) 10.097 25.947 ( -2.318 -1.203 3.168) 4.106 26.102 ( 1.237 -1.437 -5.150) 5.488 26.236 ( 3.297 1.628 7.653) 8.490 26.791 ( -6.671 3.069 0.726) 7.379 27.043 ( 0.881 -1.661 -1.428) 2.361 27.112 ( 0.503 -4.263 -0.411) 4.312 27.163 ( 3.000 -2.675 2.528) 4.749 27.583 ( -5.685 2.161 -2.802) 6.696 27.914 ( -1.060 -1.393 -0.463) 1.810 27.959 ( 1.246 -6.174 0.505) 6.319 28.199 ( -2.438 -11.439 1.178) 11.755 28.242 ( -7.216 -8.403 -1.702) 11.206 28.633 ( 0.873 4.433 4.937) 6.692 28.777 ( -0.946 -1.698 0.895) 2.140 29.527 ( 4.356 8.982 1.309) 10.068 29.687 ( 5.183 1.818 -7.818) 9.554 ======================= Grid point 142 (61/141) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -1.649 -7.207 5.018) 8.935 1.429 ( 0.018 1.334 -2.032) 2.431 1.810 ( 2.425 -19.876 6.740) 21.127 2.036 ( 6.059 -8.138 -3.693) 10.797 2.113 ( 5.504 -4.090 -1.681) 7.060 2.251 ( 2.901 -10.065 -0.825) 10.507 2.307 ( 3.715 -6.175 -10.173) 12.467 2.546 ( 5.081 -5.090 2.355) 7.567 2.680 ( -2.573 4.216 -4.387) 6.606 2.753 ( 0.919 -3.175 0.300) 3.319 2.797 ( -8.318 2.568 -1.095) 8.774 2.974 ( -3.953 1.403 0.117) 4.196 3.098 ( -0.162 -0.286 0.882) 0.942 3.187 ( 0.696 4.613 2.251) 5.180 3.330 ( 1.178 1.002 -0.973) 1.827 3.414 ( 2.707 3.872 4.120) 6.269 3.498 ( 7.642 -0.858 3.252) 8.349 3.555 ( 1.423 -3.612 1.892) 4.319 3.896 ( -0.773 -2.996 4.444) 5.415 4.006 ( 2.576 -2.644 5.151) 6.337 4.111 ( 2.980 2.977 -4.793) 6.381 4.228 ( 6.648 -3.853 1.266) 7.787 4.455 ( -9.072 -4.511 4.731) 11.182 4.487 ( 2.401 -3.557 -3.917) 5.810 4.530 ( 1.078 0.299 3.468) 3.644 4.743 ( -3.857 8.758 -2.439) 9.876 4.779 ( -1.543 -4.845 -1.806) 5.396 4.967 ( -6.291 8.387 3.039) 10.916 5.092 ( 2.820 10.754 2.263) 11.346 5.215 ( -2.369 9.333 -2.483) 9.944 5.332 ( 0.341 2.371 -0.843) 2.540 5.476 ( -0.584 -0.298 -4.852) 4.896 5.528 ( -1.085 1.117 -0.115) 1.561 5.675 ( 4.032 5.062 -2.645) 6.991 5.778 ( 0.770 0.177 -1.120) 1.370 5.986 ( 0.338 5.422 -6.014) 8.104 6.102 ( -6.148 1.883 -4.010) 7.578 6.340 ( -1.509 0.778 1.940) 2.578 6.545 ( -2.508 -0.489 -4.910) 5.535 6.652 ( -1.266 2.383 0.498) 2.743 6.748 ( -2.544 4.450 8.504) 9.929 6.921 ( 0.718 -2.672 4.979) 5.696 7.137 ( 3.852 1.865 -2.010) 4.728 7.186 ( -2.274 2.807 0.016) 3.613 7.300 ( 1.251 -1.411 -1.079) 2.173 7.425 ( -8.640 -8.268 1.779) 12.091 7.575 ( -2.078 3.600 0.718) 4.218 7.631 ( 1.085 9.078 7.918) 12.094 7.783 ( 1.825 3.910 -4.015) 5.894 7.899 ( 2.075 12.976 5.461) 14.231 8.094 ( -2.030 2.225 -2.278) 3.777 8.445 ( -1.323 -0.894 -4.761) 5.022 8.542 ( 4.487 14.366 -1.296) 15.106 8.702 ( -1.152 0.599 -0.853) 1.553 8.828 ( 3.333 2.490 -1.527) 4.432 8.885 ( 3.976 0.403 2.951) 4.968 9.707 ( 2.790 -10.280 -1.618) 10.774 9.836 ( -1.824 -7.805 1.405) 8.137 10.311 ( 1.783 -2.963 3.246) 4.743 10.670 ( -0.120 -6.098 -0.674) 6.136 11.117 ( 2.859 -3.744 -0.206) 4.715 11.274 ( 2.770 -6.815 -3.352) 8.084 11.337 ( 0.278 -6.499 -0.719) 6.545 11.460 ( 0.225 -11.406 1.569) 11.515 11.531 ( -2.144 -5.719 6.277) 8.758 11.858 ( -2.668 1.736 -1.153) 3.385 12.079 ( -0.486 -0.762 -0.018) 0.904 12.133 ( 1.965 -0.851 -1.407) 2.562 12.298 ( -4.740 -0.752 1.468) 5.019 12.547 ( -1.972 -5.864 -5.398) 8.211 12.877 ( -1.230 -2.923 3.188) 4.497 13.650 ( 0.972 6.169 -3.965) 7.398 13.726 ( 1.551 7.490 -0.134) 7.650 13.864 ( 0.612 3.854 1.180) 4.076 13.970 ( -6.589 1.904 -6.019) 9.125 14.245 ( 3.803 3.821 1.722) 5.659 14.318 ( -0.876 6.931 -2.820) 7.534 14.594 ( -5.458 4.405 -0.915) 7.073 14.667 ( 0.183 6.225 -0.082) 6.228 14.741 ( 3.182 4.427 7.726) 9.456 14.993 ( 2.327 6.821 -2.540) 7.642 15.541 ( -1.732 5.525 -4.167) 7.133 16.386 ( 1.095 -2.167 1.921) 3.096 16.446 ( 1.409 -1.829 1.277) 2.638 20.029 ( 0.947 -4.751 0.427) 4.863 20.163 ( 0.492 -5.639 -0.529) 5.685 20.295 ( -1.335 1.556 -0.278) 2.069 20.399 ( -0.416 0.646 0.955) 1.226 24.512 ( -0.331 1.183 1.819) 2.194 24.594 ( 1.707 3.071 -1.523) 3.829 24.750 ( 2.362 1.452 1.290) 3.058 25.094 ( 1.733 6.851 -3.990) 8.115 25.974 ( -1.044 -2.326 1.586) 3.002 26.126 ( -1.172 -1.403 -1.300) 2.243 26.247 ( 2.204 -0.577 6.618) 6.999 26.700 ( -3.862 2.364 -2.062) 4.975 27.092 ( 1.358 -2.015 -0.440) 2.470 27.155 ( -0.099 -1.370 2.944) 3.248 27.274 ( 5.760 -3.473 -2.036) 7.027 27.483 ( -7.181 2.949 -4.748) 9.100 28.009 ( 0.923 -7.644 0.853) 7.746 28.132 ( 1.741 -8.360 1.282) 8.635 28.324 ( -1.009 -4.384 -1.841) 4.861 28.495 ( -3.407 -17.825 -0.674) 18.160 28.550 ( 0.328 4.118 4.438) 6.064 28.778 ( -2.220 0.133 -0.714) 2.336 29.347 ( 1.565 10.439 3.606) 11.155 29.638 ( 1.473 4.102 -5.967) 7.389 ======================= Grid point 143 (62/141) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 1.025 -9.893 -0.995) 9.995 1.448 ( -0.873 -3.850 0.377) 3.965 2.124 ( 2.572 -2.934 -5.294) 6.576 2.207 ( 1.013 -16.549 3.258) 16.897 2.281 ( 5.822 -5.260 0.731) 7.880 2.385 ( 0.775 -0.434 -5.641) 5.711 2.458 ( 3.090 -5.781 -1.200) 6.664 2.573 ( 1.445 2.724 -1.230) 3.320 2.648 ( -6.107 -0.819 -4.546) 7.658 2.714 ( -5.142 -4.385 -3.797) 7.751 2.889 ( 3.456 -4.031 5.015) 7.304 2.942 ( 0.689 4.263 0.131) 4.320 3.018 ( -3.078 -3.833 -1.230) 5.067 3.154 ( 1.274 4.140 2.600) 5.052 3.333 ( 4.381 -1.073 9.351) 10.382 3.403 ( -1.870 -2.589 1.647) 3.594 3.541 ( 1.631 -5.854 -3.247) 6.890 3.680 ( 0.031 -4.377 -1.982) 4.805 3.956 ( -1.673 -3.158 4.444) 5.702 3.983 ( 2.195 5.477 -2.211) 6.301 4.097 ( 0.513 0.351 -0.466) 0.777 4.276 ( -2.511 10.766 2.985) 11.451 4.304 ( 9.169 3.614 0.606) 9.874 4.417 ( -5.969 5.393 -5.094) 9.521 4.570 ( -4.941 5.763 0.763) 7.630 4.653 ( -0.180 8.070 0.115) 8.072 4.761 ( 1.033 9.543 4.927) 10.790 4.816 ( -0.469 -3.064 5.219) 6.070 4.966 ( -4.267 10.553 -2.344) 11.622 5.012 ( 0.177 -5.900 0.350) 5.913 5.285 ( -0.378 1.770 1.208) 2.176 5.420 ( -2.087 5.800 8.226) 10.279 5.554 ( 2.726 -0.899 -4.707) 5.513 5.643 ( 6.913 -0.913 -2.927) 7.562 5.769 ( 1.058 1.743 -0.024) 2.039 5.922 ( 2.950 3.595 -4.323) 6.350 6.026 ( -3.259 1.775 -0.610) 3.761 6.309 ( -2.091 0.325 -3.242) 3.871 6.550 ( -6.523 -1.021 -4.200) 7.825 6.607 ( -0.287 -1.188 -4.910) 5.060 6.678 ( -2.114 1.946 7.226) 7.776 6.951 ( 2.423 1.537 -1.911) 3.448 7.116 ( -0.421 2.851 -3.359) 4.426 7.131 ( -1.810 2.257 1.170) 3.121 7.247 ( 4.037 10.807 3.102) 11.946 7.438 ( -0.173 -0.312 2.386) 2.413 7.489 ( -2.474 3.251 1.476) 4.343 7.594 ( -1.391 -4.806 5.599) 7.509 7.637 ( 1.760 8.866 2.638) 9.416 7.807 ( -0.055 -1.967 -1.386) 2.407 8.114 ( 2.506 -2.605 1.305) 3.843 8.274 ( 1.578 10.693 -1.122) 10.867 8.411 ( -5.388 3.817 -6.159) 9.029 8.693 ( 3.749 1.899 4.177) 5.925 8.794 ( -2.088 1.032 -5.764) 6.217 8.903 ( 2.690 0.721 1.619) 3.222 9.919 ( 2.648 -9.608 -1.234) 10.043 9.982 ( -3.481 -8.113 -0.745) 8.860 10.382 ( 3.113 -2.737 4.727) 6.287 10.764 ( -3.043 -3.866 -2.415) 5.481 11.216 ( 3.360 -4.365 1.637) 5.747 11.401 ( 3.375 -4.146 -0.686) 5.390 11.450 ( -0.417 -5.202 -1.813) 5.525 11.589 ( -11.354 -7.935 -4.397) 14.533 11.735 ( 9.082 -6.747 8.446) 14.119 11.820 ( 4.708 0.920 3.655) 6.031 12.095 ( -0.746 -0.959 -0.417) 1.284 12.155 ( 1.644 -0.149 -1.431) 2.185 12.253 ( -4.384 2.272 0.622) 4.977 12.633 ( -4.896 -4.664 -7.281) 9.936 12.940 ( 0.366 -3.310 3.372) 4.740 13.445 ( -1.583 10.313 -2.187) 10.660 13.659 ( 0.454 1.720 0.935) 2.010 13.807 ( 0.192 3.683 -2.885) 4.682 13.934 ( -4.509 -1.810 -5.173) 7.097 14.193 ( 5.793 5.164 6.127) 9.888 14.199 ( -1.267 2.234 -1.237) 2.850 14.493 ( -4.061 2.617 -0.738) 4.887 14.590 ( 1.769 2.865 0.807) 3.462 14.691 ( 3.403 3.238 6.515) 8.032 14.884 ( 1.139 4.959 -2.536) 5.685 15.385 ( -3.125 8.231 -5.724) 10.502 16.416 ( 0.864 -0.208 1.606) 1.835 16.480 ( 0.539 -0.718 0.416) 0.990 20.127 ( 1.078 -4.296 0.571) 4.466 20.256 ( -3.121 -2.243 -1.957) 4.313 20.269 ( 3.203 -0.772 1.593) 3.660 20.387 ( -1.275 -0.054 0.240) 1.298 24.486 ( -0.863 1.109 1.008) 1.729 24.541 ( 1.452 2.987 -1.207) 3.534 24.733 ( 1.733 1.555 1.588) 2.819 24.970 ( -0.294 6.089 -2.857) 6.732 26.022 ( -0.445 -2.860 1.621) 3.317 26.167 ( -1.488 -4.013 0.436) 4.303 26.264 ( 0.769 0.423 5.859) 5.925 26.659 ( -0.517 0.581 -3.016) 3.115 27.106 ( 0.403 1.075 -0.280) 1.182 27.205 ( 0.073 -3.561 2.629) 4.427 27.271 ( 2.638 6.488 -3.754) 7.946 27.463 ( -3.420 -4.838 -4.704) 7.565 28.176 ( 1.777 -7.204 0.669) 7.450 28.233 ( -1.324 -1.770 0.344) 2.237 28.387 ( 2.886 0.036 2.057) 3.544 28.509 ( -0.579 -1.077 4.114) 4.291 28.748 ( -0.174 -2.538 -1.406) 2.907 28.832 ( -4.388 -12.700 -7.212) 15.249 29.192 ( 1.488 4.368 8.017) 9.250 29.562 ( 0.442 3.710 -4.150) 5.584 ======================= Grid point 144 (63/141) ======================= q-point: (-0.30 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.581 -6.594 -2.521) 7.517 1.554 ( -1.237 -5.612 -1.342) 5.901 2.174 ( 7.059 2.099 -3.318) 8.077 2.278 ( 0.648 5.400 -1.725) 5.706 2.341 ( -8.526 2.981 -0.251) 9.035 2.410 ( -1.181 -0.860 -6.066) 6.240 2.509 ( -2.464 -3.140 -1.905) 4.422 2.575 ( 1.292 -1.437 1.068) 2.208 2.631 ( -4.363 -4.555 -2.046) 6.631 2.777 ( -4.133 -2.047 -6.644) 8.088 2.906 ( 1.341 5.810 4.618) 7.542 2.961 ( 9.601 -6.088 6.636) 13.163 3.097 ( 0.529 -3.820 8.056) 8.932 3.220 ( 5.277 -8.251 -5.927) 11.448 3.424 ( -4.868 -1.463 4.755) 6.960 3.472 ( 1.908 -8.334 4.076) 9.472 3.618 ( -8.036 2.942 -6.702) 10.869 3.768 ( 5.757 -7.350 -4.587) 10.402 3.889 ( 3.390 6.038 -0.052) 6.925 3.972 ( -3.712 2.578 1.155) 4.665 4.007 ( 0.025 5.964 -1.087) 6.062 4.114 ( 2.461 2.007 -0.045) 3.176 4.224 ( -4.118 5.017 0.499) 6.510 4.322 ( -0.035 4.542 -0.940) 4.638 4.419 ( -2.735 5.248 0.463) 5.936 4.447 ( 5.322 7.658 -2.207) 9.583 4.596 ( 1.296 4.083 7.765) 8.868 4.790 ( -2.076 4.111 3.576) 5.831 4.899 ( 0.176 -1.525 6.316) 6.500 5.189 ( -1.808 -6.282 3.084) 7.227 5.224 ( -1.589 1.619 -0.072) 2.270 5.362 ( 2.410 -0.206 6.631) 7.058 5.551 ( 2.609 3.354 -2.547) 4.954 5.682 ( 3.748 0.291 -1.699) 4.125 5.730 ( 2.474 3.224 0.075) 4.064 5.854 ( 1.625 4.477 0.239) 4.768 6.021 ( -2.268 -2.201 -1.437) 3.472 6.278 ( -8.086 1.619 -11.351) 14.030 6.507 ( -10.332 -0.987 -5.569) 11.779 6.629 ( -1.739 0.913 5.300) 5.652 6.667 ( -0.249 -2.287 -6.800) 7.178 6.909 ( 7.376 3.334 0.564) 8.114 6.989 ( -0.040 3.797 2.523) 4.559 7.088 ( -0.781 1.829 -0.985) 2.219 7.206 ( 6.286 -0.117 6.090) 8.754 7.374 ( -1.178 7.073 -1.288) 7.286 7.395 ( 0.664 4.691 2.691) 5.449 7.519 ( 3.087 4.541 3.422) 6.470 7.707 ( -1.736 -7.071 5.794) 9.305 7.951 ( -1.071 -10.764 -5.508) 12.139 8.055 ( 0.432 7.284 -2.104) 7.594 8.276 ( 5.094 -5.956 7.148) 10.608 8.293 ( -6.807 3.256 -9.159) 11.867 8.663 ( 6.309 4.310 6.810) 10.235 8.758 ( -3.691 0.683 -6.264) 7.303 8.868 ( -1.581 3.448 -0.993) 3.921 10.087 ( -3.384 -4.419 -1.084) 5.670 10.099 ( 2.223 -6.788 -1.394) 7.278 10.465 ( 4.417 -3.169 5.202) 7.525 10.773 ( -5.723 -0.166 -3.906) 6.931 11.310 ( 3.900 -2.163 2.928) 5.335 11.472 ( 2.262 -0.877 0.823) 2.562 11.519 ( -0.031 -1.783 -1.351) 2.237 11.656 ( -4.878 -4.020 -1.765) 6.563 11.760 ( 0.810 0.700 1.245) 1.642 11.978 ( 9.342 -5.382 6.640) 12.662 12.093 ( -1.622 0.380 -1.095) 1.993 12.147 ( 0.220 1.501 -0.485) 1.593 12.196 ( -0.513 0.686 1.115) 1.406 12.648 ( -8.947 -1.443 -9.225) 12.932 13.004 ( 1.616 -2.390 3.280) 4.368 13.281 ( -4.780 4.395 -3.053) 7.175 13.648 ( 1.403 0.034 1.363) 1.956 13.739 ( -0.225 2.768 -1.370) 3.097 13.958 ( 0.391 -2.103 -1.589) 2.664 14.162 ( -3.856 0.001 -3.029) 4.904 14.187 ( 9.878 1.277 8.281) 12.953 14.443 ( -2.332 0.834 -1.400) 2.845 14.560 ( -0.536 0.360 -0.364) 0.741 14.663 ( 2.540 2.091 4.834) 5.847 14.826 ( 0.833 1.168 -0.651) 1.576 15.200 ( -3.172 7.769 -5.874) 10.244 16.410 ( 0.414 1.134 1.445) 1.883 16.478 ( -0.409 0.793 -0.282) 0.936 20.197 ( 0.913 -1.936 -0.054) 2.141 20.246 ( -0.936 -0.075 0.085) 0.943 20.329 ( 1.623 -1.889 0.148) 2.495 20.388 ( -1.388 -0.856 0.022) 1.631 24.463 ( -1.274 0.479 0.014) 1.361 24.500 ( 1.081 1.913 -0.857) 2.359 24.714 ( 1.619 1.365 1.602) 2.655 24.856 ( -1.550 4.751 -2.154) 5.442 26.079 ( 0.006 -2.903 2.917) 4.116 26.242 ( -0.507 1.763 6.526) 6.779 26.269 ( -0.237 -6.588 -1.389) 6.737 26.651 ( 1.041 0.853 -3.218) 3.488 27.077 ( -0.704 1.444 -0.632) 1.726 27.136 ( 0.004 6.740 -2.721) 7.269 27.274 ( -0.023 -2.894 2.238) 3.658 27.548 ( 0.094 -4.229 -5.507) 6.944 28.226 ( -0.062 0.943 0.294) 0.990 28.261 ( 0.353 -0.466 -1.454) 1.567 28.392 ( 3.107 0.254 5.269) 6.122 28.532 ( -4.145 -1.330 0.754) 4.418 28.790 ( 2.560 -1.033 1.095) 2.970 28.928 ( -3.798 -1.717 -4.947) 6.469 29.294 ( 1.216 -11.076 4.041) 11.852 29.490 ( 1.163 4.428 -2.009) 5.000 ======================= Grid point 145 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.782 0.700 -2.708) 2.904 1.645 ( -2.425 -3.613 -3.277) 5.447 2.095 ( 2.273 6.706 -2.282) 7.440 2.127 ( -6.640 8.439 1.477) 10.840 2.188 ( -2.010 4.845 -2.871) 5.980 2.345 ( 3.185 5.878 -3.564) 7.576 2.553 ( 6.288 6.760 3.769) 9.972 2.641 ( -1.407 -6.703 -2.558) 7.311 2.724 ( 4.989 -0.559 1.150) 5.150 2.779 ( -2.170 0.779 1.178) 2.590 2.823 ( -0.910 -3.648 -4.567) 5.916 3.091 ( 1.482 -0.820 -0.325) 1.725 3.229 ( 2.526 -5.301 12.810) 14.092 3.289 ( -4.553 9.971 -2.739) 11.299 3.357 ( 3.174 -3.559 -1.221) 4.923 3.475 ( -8.758 -1.453 -4.372) 9.896 3.661 ( 2.925 2.819 -3.599) 5.427 3.779 ( 2.278 2.762 2.174) 4.188 3.853 ( 1.655 0.379 -3.124) 3.556 3.931 ( -0.299 -3.548 -5.943) 6.928 3.982 ( 2.197 -1.327 3.893) 4.663 4.098 ( -1.393 -0.497 1.094) 1.839 4.213 ( -4.730 -4.437 -4.029) 7.635 4.269 ( -4.019 -2.398 -0.856) 4.758 4.351 ( 4.448 1.794 2.196) 5.275 4.446 ( 1.083 -2.368 -1.078) 2.818 4.589 ( -1.415 -1.397 8.148) 8.387 4.820 ( 4.309 -6.985 6.953) 10.757 4.903 ( 0.340 1.085 7.200) 7.289 5.195 ( -0.106 -2.320 -2.984) 3.781 5.251 ( -1.782 1.520 5.858) 6.309 5.399 ( -0.193 -1.245 4.830) 4.991 5.502 ( 0.822 1.486 2.251) 2.820 5.653 ( 8.675 4.160 4.995) 10.840 5.721 ( -0.918 -0.808 -5.235) 5.376 5.778 ( 0.581 2.995 0.417) 3.079 6.044 ( -6.590 -3.048 -5.078) 8.861 6.139 ( -7.851 4.821 -16.544) 18.936 6.485 ( -6.961 -1.493 -2.151) 7.437 6.610 ( -0.495 0.452 5.132) 5.176 6.705 ( 2.076 -1.669 -6.548) 7.069 6.914 ( 2.054 2.356 4.476) 5.459 6.980 ( 3.932 -1.260 -1.029) 4.255 7.048 ( -2.101 1.177 -0.334) 2.432 7.247 ( -1.974 2.428 0.904) 3.257 7.277 ( 3.931 -3.375 6.466) 8.286 7.349 ( 5.441 1.371 2.653) 6.207 7.487 ( 3.788 1.125 2.148) 4.498 7.831 ( -0.416 -4.683 5.450) 7.198 7.940 ( -2.868 2.667 -2.032) 4.412 8.099 ( -5.263 -4.554 -7.814) 10.464 8.234 ( -1.871 -1.403 -7.717) 8.063 8.453 ( 5.388 -7.729 5.761) 11.043 8.606 ( 3.977 5.721 5.296) 8.752 8.731 ( -1.260 -0.510 -4.375) 4.581 8.752 ( -4.168 5.853 -1.753) 7.396 10.104 ( -1.646 1.128 -0.154) 2.001 10.184 ( 1.364 -0.425 -1.977) 2.439 10.553 ( 5.628 -2.044 5.077) 7.851 10.711 ( -6.921 2.124 -3.708) 8.134 11.334 ( 3.840 2.072 2.024) 4.810 11.447 ( -0.196 3.537 -0.861) 3.646 11.508 ( 1.966 3.438 1.653) 4.292 11.706 ( -3.606 -2.587 -2.761) 5.227 11.773 ( 5.390 -0.941 4.807) 7.284 12.027 ( -7.817 -1.659 -4.495) 9.169 12.131 ( 4.042 -1.615 2.872) 5.215 12.137 ( 1.115 0.075 0.514) 1.230 12.215 ( 6.400 -0.745 5.220) 8.292 12.582 ( -10.302 1.564 -9.095) 13.831 13.055 ( 2.501 -1.369 2.852) 4.033 13.196 ( -5.633 1.382 -4.138) 7.125 13.661 ( 0.861 -0.037 1.005) 1.324 13.714 ( -0.181 -0.851 -0.218) 0.897 14.026 ( 3.334 -3.519 2.406) 5.412 14.136 ( -4.386 0.106 -2.367) 4.985 14.247 ( 10.639 -0.373 6.088) 12.264 14.412 ( -2.521 0.875 -2.613) 3.734 14.592 ( 0.209 -3.790 0.449) 3.823 14.623 ( -1.724 2.501 1.462) 3.371 14.847 ( -1.361 -2.955 -0.243) 3.262 15.073 ( -0.290 3.148 -4.467) 5.473 16.385 ( 0.884 1.764 1.514) 2.487 16.452 ( -0.782 1.309 -0.662) 1.662 20.214 ( 0.597 0.286 -0.376) 0.762 20.247 ( -0.966 -0.184 -0.559) 1.131 20.360 ( 1.473 -0.264 0.864) 1.728 20.399 ( -1.090 -0.861 -0.066) 1.390 24.455 ( -0.936 -0.386 -0.675) 1.217 24.479 ( 0.172 0.617 -0.737) 0.977 24.705 ( 2.361 0.765 1.444) 2.871 24.770 ( -1.242 2.949 -1.553) 3.557 26.128 ( -0.609 -1.583 4.580) 4.884 26.197 ( 0.005 2.075 5.206) 5.604 26.418 ( -0.883 -8.398 -1.664) 8.606 26.616 ( 1.565 3.471 -3.887) 5.441 27.022 ( -0.816 3.236 -0.679) 3.406 27.060 ( -0.009 0.826 -0.956) 1.263 27.307 ( -0.221 -0.289 2.176) 2.206 27.610 ( 0.844 -1.953 -6.521) 6.859 28.221 ( 0.579 -0.547 0.495) 0.938 28.253 ( -0.642 -0.019 -1.100) 1.274 28.388 ( 4.023 3.080 4.448) 6.742 28.510 ( -6.040 0.412 -2.908) 6.716 28.786 ( 1.280 2.224 4.177) 4.902 28.969 ( 0.671 -3.426 -0.562) 3.536 29.384 ( 0.629 7.277 0.822) 7.350 29.515 ( -0.708 -10.154 -2.207) 10.415 ======================= Grid point 146 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.247 1.235 -1.147) 1.704 1.576 ( -4.105 7.461 -3.130) 9.073 1.956 ( -7.276 4.785 -0.790) 8.744 2.047 ( 9.424 4.325 -1.301) 10.451 2.078 ( 0.404 3.713 -1.244) 3.936 2.236 ( 7.189 8.671 -0.672) 11.283 2.411 ( 12.799 12.725 10.063) 20.664 2.550 ( -0.424 9.623 -2.738) 10.013 2.729 ( -4.568 -1.818 -3.530) 6.052 2.880 ( 3.824 -2.543 -4.309) 6.297 2.917 ( -1.152 -7.112 -1.303) 7.322 3.059 ( -0.820 1.216 2.743) 3.111 3.150 ( -0.165 2.660 0.109) 2.667 3.300 ( 1.735 0.312 10.989) 11.129 3.373 ( -5.617 2.361 -3.211) 6.887 3.440 ( -3.840 0.450 -2.749) 4.744 3.559 ( 3.272 5.978 -3.592) 7.703 3.789 ( 1.952 1.115 -3.332) 4.020 3.834 ( 2.387 -1.411 -3.201) 4.235 3.970 ( -2.705 4.901 -0.909) 5.671 4.040 ( -1.157 -3.225 -2.001) 3.968 4.166 ( -3.605 -3.869 -1.107) 5.403 4.219 ( -4.037 -3.985 4.526) 7.257 4.301 ( 7.515 -0.562 1.051) 7.609 4.430 ( -0.976 -6.962 1.256) 7.141 4.561 ( 1.541 -8.436 -7.291) 11.256 4.684 ( -5.407 -9.476 6.792) 12.852 4.849 ( -0.123 2.089 5.959) 6.316 5.017 ( -1.142 -7.918 5.486) 9.700 5.188 ( 2.808 2.693 5.783) 6.970 5.304 ( -2.180 -8.190 2.411) 8.811 5.362 ( -3.164 5.047 1.917) 6.258 5.497 ( -2.944 -1.449 -2.258) 3.983 5.685 ( 9.272 -2.468 7.469) 12.159 5.751 ( 1.352 1.238 1.252) 2.220 5.805 ( 1.338 -7.499 -5.335) 9.300 6.015 ( -6.480 -0.368 -14.336) 15.737 6.086 ( 0.987 -2.728 -5.483) 6.203 6.457 ( -4.732 0.792 2.318) 5.328 6.613 ( 0.632 -0.809 5.008) 5.113 6.750 ( 1.600 -1.865 -5.551) 6.071 6.847 ( 0.934 4.191 5.390) 6.891 7.009 ( 0.525 -0.645 -4.798) 4.870 7.073 ( -3.534 -5.288 1.601) 6.559 7.276 ( 1.798 -4.201 3.073) 5.506 7.380 ( 0.683 -5.118 4.292) 6.714 7.406 ( 6.132 -3.068 2.359) 7.252 7.516 ( 2.271 -1.655 -1.850) 3.364 7.797 ( -9.651 1.783 2.531) 10.136 7.993 ( 3.817 -4.378 2.305) 6.249 8.122 ( 1.257 -1.987 -4.865) 5.403 8.254 ( -3.150 -0.410 -6.664) 7.382 8.426 ( -7.916 9.761 0.658) 12.584 8.623 ( -0.494 -5.171 -1.173) 5.325 8.648 ( 4.930 3.430 2.313) 6.436 8.784 ( 2.556 -4.217 -2.025) 5.331 10.022 ( -0.705 6.562 0.313) 6.607 10.130 ( 2.160 6.485 -1.591) 7.018 10.575 ( -2.736 3.136 0.252) 4.169 10.636 ( 1.302 1.394 1.213) 2.260 11.290 ( 3.849 4.871 1.389) 6.362 11.360 ( 2.494 5.527 0.164) 6.066 11.432 ( 2.987 5.576 3.089) 7.040 11.656 ( -7.516 2.609 -7.517) 10.946 11.892 ( 11.157 -3.812 9.897) 15.393 12.019 ( -9.044 -2.358 -3.583) 10.010 12.134 ( 0.779 0.984 -0.014) 1.255 12.179 ( -0.447 -3.437 -0.902) 3.582 12.285 ( 5.134 -1.462 5.150) 7.417 12.467 ( -4.487 4.429 -4.876) 7.970 13.077 ( -1.698 0.055 -0.425) 1.751 13.154 ( -2.186 -0.010 -2.319) 3.187 13.668 ( -0.281 -0.813 0.839) 1.202 13.756 ( -0.560 -3.167 -0.972) 3.360 14.102 ( -2.334 0.496 0.588) 2.458 14.121 ( 0.940 -3.847 2.228) 4.544 14.337 ( 11.348 -1.895 4.826) 12.476 14.378 ( -4.685 0.350 -4.391) 6.431 14.560 ( -2.811 1.565 2.548) 4.104 14.690 ( -0.938 -5.530 -0.497) 5.631 14.902 ( -6.242 -4.792 -3.656) 8.677 15.089 ( 5.357 -3.344 -1.301) 6.448 16.357 ( 2.578 2.059 2.105) 3.914 16.424 ( -0.381 1.050 -1.165) 1.614 20.198 ( -0.325 1.521 -0.782) 1.741 20.234 ( -0.544 0.989 -1.320) 1.737 20.359 ( 1.230 0.989 1.906) 2.474 20.405 ( -1.207 -0.404 -0.397) 1.334 24.465 ( 0.515 -0.478 0.291) 0.761 24.476 ( -1.471 -0.997 -1.809) 2.536 24.711 ( 0.389 0.452 -0.247) 0.645 24.736 ( 3.901 0.199 0.237) 3.913 26.103 ( -1.057 3.003 3.563) 4.779 26.201 ( 0.152 -1.242 6.866) 6.979 26.478 ( -6.438 3.110 -2.150) 7.466 26.621 ( 4.169 -5.428 -3.638) 7.751 26.995 ( 1.436 -0.306 0.374) 1.515 27.058 ( 0.532 -0.338 -1.134) 1.298 27.285 ( -0.627 2.324 2.200) 3.261 27.628 ( 0.467 0.079 -7.181) 7.197 28.256 ( 0.534 -1.882 0.546) 2.031 28.267 ( -1.209 -1.916 -0.889) 2.434 28.326 ( 4.602 5.504 3.571) 8.014 28.429 ( -5.032 4.194 -4.312) 7.842 28.761 ( 2.216 0.864 5.463) 5.959 29.048 ( 1.132 -3.981 -0.220) 4.145 29.203 ( 0.004 11.601 5.135) 12.686 29.666 ( -3.897 -6.694 -6.671) 10.223 ======================= Grid point 151 (66/141) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 7.749 -0.000 8.982) 11.863 1.327 ( 6.871 -0.000 6.260) 9.295 1.589 ( 5.347 -0.000 0.446) 5.366 1.761 ( 7.081 -0.000 -7.138) 10.055 1.978 ( -0.161 0.000 -7.224) 7.226 1.996 ( 3.746 -0.000 -1.261) 3.953 2.150 ( -5.065 0.000 -8.809) 10.161 2.382 ( 1.173 -0.000 13.988) 14.037 2.706 ( -1.845 0.000 -7.732) 7.949 2.790 ( -0.896 0.000 -6.483) 6.545 2.857 ( -7.024 0.000 0.938) 7.087 2.943 ( 0.690 -0.000 0.095) 0.697 3.178 ( -1.710 0.000 5.517) 5.776 3.269 ( 14.573 -0.000 12.094) 18.938 3.389 ( -3.799 0.000 -4.766) 6.094 3.430 ( 3.821 -0.000 0.201) 3.827 3.526 ( 13.981 -0.000 2.660) 14.231 3.594 ( 0.231 -0.000 -0.949) 0.977 3.879 ( 1.455 -0.000 5.637) 5.822 3.905 ( -2.645 0.000 15.045) 15.275 4.090 ( 4.741 -0.000 5.781) 7.476 4.093 ( -0.264 0.000 -5.727) 5.733 4.193 ( 2.046 -0.000 -8.861) 9.094 4.495 ( -1.664 0.000 -1.443) 2.203 4.508 ( -6.005 0.000 -0.336) 6.014 4.626 ( -0.388 0.000 3.743) 3.763 5.021 ( -7.837 0.000 -0.949) 7.894 5.066 ( -1.749 0.000 -9.026) 9.194 5.293 ( -0.382 0.000 -1.776) 1.817 5.361 ( 8.173 -0.000 -4.362) 9.264 5.420 ( 1.031 -0.000 1.822) 2.093 5.489 ( -6.315 0.000 0.979) 6.390 5.694 ( 3.232 -0.000 1.503) 3.564 5.696 ( 4.921 -0.000 -6.040) 7.791 5.697 ( -3.132 0.000 -6.206) 6.952 6.123 ( -5.569 0.000 -6.274) 8.390 6.212 ( -4.554 0.000 -3.854) 5.966 6.368 ( 1.807 -0.000 4.604) 4.946 6.495 ( -6.125 0.000 -9.007) 10.892 6.690 ( 2.971 -0.000 3.455) 4.557 6.804 ( -3.990 0.000 6.545) 7.665 6.888 ( -3.253 0.000 11.141) 11.607 7.130 ( 0.768 -0.000 7.847) 7.885 7.280 ( -0.195 0.000 -2.280) 2.289 7.309 ( -0.838 0.000 2.786) 2.909 7.447 ( 0.074 -0.000 2.692) 2.693 7.524 ( -4.047 0.000 2.561) 4.789 7.760 ( 2.809 -0.000 -0.956) 2.967 7.788 ( -0.609 0.000 0.686) 0.917 8.111 ( -8.721 0.000 -15.778) 18.028 8.403 ( 8.692 -0.000 6.535) 10.875 8.456 ( 2.093 -0.000 2.117) 2.977 8.624 ( 1.344 -0.000 -0.859) 1.595 8.906 ( 3.136 -0.000 0.883) 3.258 8.937 ( 0.666 -0.000 0.169) 0.687 9.034 ( 3.190 -0.000 -2.304) 3.936 9.352 ( 3.724 -0.000 1.125) 3.890 9.694 ( 0.199 -0.000 4.235) 4.239 10.229 ( 0.818 -0.000 1.503) 1.711 10.514 ( 0.075 -0.000 -1.230) 1.232 11.036 ( 4.929 -0.000 0.727) 4.983 11.074 ( 2.682 -0.000 -4.594) 5.319 11.088 ( -1.430 0.000 1.021) 1.757 11.241 ( -0.043 0.000 -0.682) 0.683 11.405 ( -3.570 0.000 9.200) 9.869 11.889 ( -2.700 0.000 -1.571) 3.124 12.066 ( -0.252 0.000 -1.307) 1.332 12.121 ( 0.075 -0.000 -0.096) 0.122 12.230 ( -2.584 0.000 0.113) 2.586 12.409 ( -1.891 0.000 -5.718) 6.023 12.823 ( -1.211 0.000 3.828) 4.015 13.714 ( -0.189 0.000 0.244) 0.309 13.755 ( -3.336 0.000 -6.179) 7.022 14.045 ( -3.461 0.000 -5.373) 6.391 14.224 ( -0.613 0.000 -0.615) 0.869 14.340 ( 4.155 -0.000 -0.019) 4.155 14.457 ( 2.178 -0.000 -5.841) 6.233 14.693 ( -2.372 0.000 -2.042) 3.130 14.752 ( -8.973 0.000 -2.330) 9.270 15.012 ( 2.926 -0.000 -1.198) 3.162 15.276 ( -0.557 0.000 4.622) 4.656 15.578 ( 1.244 -0.000 -0.803) 1.480 16.281 ( 1.055 -0.000 2.058) 2.313 16.404 ( -1.598 0.000 2.378) 2.865 19.947 ( 0.568 -0.000 -0.696) 0.898 19.969 ( 1.037 -0.000 0.780) 1.298 20.339 ( -0.557 0.000 0.158) 0.579 20.424 ( 0.015 -0.000 1.317) 1.318 24.540 ( -0.422 0.000 2.085) 2.127 24.658 ( 1.280 -0.000 -1.854) 2.253 24.788 ( 3.222 -0.000 2.084) 3.837 25.288 ( -1.583 0.000 -8.045) 8.199 25.918 ( -2.621 0.000 2.095) 3.356 26.099 ( 3.097 -0.000 -5.372) 6.201 26.308 ( 6.767 -0.000 6.552) 9.419 26.784 ( -6.790 0.000 2.050) 7.092 27.024 ( -0.075 0.000 -2.608) 2.609 27.047 ( 0.224 -0.000 0.385) 0.446 27.157 ( 1.880 -0.000 3.123) 3.645 27.568 ( -5.572 0.000 -1.740) 5.838 27.878 ( -0.331 0.000 -0.596) 0.682 27.914 ( -4.045 0.000 -1.923) 4.479 28.075 ( -1.538 0.000 1.663) 2.265 28.094 ( -2.756 0.000 -0.791) 2.868 28.690 ( -1.079 0.000 6.040) 6.136 28.762 ( 2.742 -0.000 -0.206) 2.750 29.641 ( -0.434 0.000 3.426) 3.453 29.748 ( 8.958 -0.000 -9.340) 12.941 ======================= Grid point 152 (67/141) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.612 -1.090 8.021) 8.254 1.460 ( 2.431 -5.935 1.819) 6.667 1.549 ( 2.455 -0.812 3.075) 4.018 1.908 ( 4.272 -7.447 -2.780) 9.025 2.009 ( -5.225 -4.967 -7.087) 10.109 2.098 ( 5.685 -7.018 0.823) 9.070 2.194 ( 3.281 -5.922 -9.553) 11.709 2.460 ( 3.312 -6.204 9.491) 11.813 2.683 ( -2.146 0.835 -6.039) 6.463 2.778 ( -0.584 0.218 -5.479) 5.515 2.789 ( -6.879 2.687 0.339) 7.393 2.962 ( -3.054 -1.160 -4.660) 5.691 3.106 ( -1.362 3.120 4.950) 6.008 3.318 ( -2.954 0.987 1.604) 3.503 3.349 ( 5.085 3.216 4.022) 7.237 3.487 ( 7.022 -0.177 0.712) 7.060 3.530 ( 2.317 2.250 2.627) 4.163 3.593 ( 4.156 3.098 2.557) 5.780 3.857 ( -1.228 0.359 5.242) 5.396 3.944 ( 0.543 -4.099 11.317) 12.049 4.136 ( -1.674 -2.059 -5.515) 6.121 4.172 ( 5.749 -4.657 4.614) 8.719 4.253 ( -0.576 -6.241 -2.726) 6.835 4.476 ( -1.089 0.009 1.571) 1.911 4.501 ( -3.170 -1.733 -0.983) 3.745 4.693 ( 4.284 -4.535 2.974) 6.911 4.901 ( -2.090 7.399 -3.083) 8.284 5.043 ( -2.752 2.236 -4.688) 5.878 5.241 ( -1.966 5.281 1.140) 5.749 5.341 ( -3.731 5.266 -0.320) 6.462 5.402 ( 4.056 2.980 0.638) 5.073 5.461 ( 0.482 -0.992 -6.416) 6.510 5.633 ( 2.649 6.184 -0.480) 6.744 5.701 ( 1.523 -1.511 -4.411) 4.905 5.764 ( 1.600 -2.638 -7.249) 7.878 6.079 ( -5.390 0.505 -6.573) 8.516 6.137 ( 0.967 6.645 -3.440) 7.545 6.334 ( -2.215 1.342 3.750) 4.558 6.503 ( -4.696 -2.431 -7.464) 9.147 6.689 ( 0.798 1.745 3.374) 3.881 6.810 ( 0.577 1.086 9.088) 9.171 6.868 ( -2.236 -0.804 12.267) 12.495 7.176 ( 3.106 -3.033 3.030) 5.294 7.227 ( -0.541 3.968 0.101) 4.006 7.295 ( -1.006 0.158 -1.653) 1.941 7.348 ( -1.176 5.012 2.748) 5.836 7.576 ( -0.785 -2.444 1.408) 2.928 7.727 ( -1.898 2.825 2.870) 4.452 7.817 ( 0.566 -0.561 -2.434) 2.561 8.070 ( -5.096 -0.653 -10.349) 11.554 8.276 ( 0.023 16.603 2.502) 16.790 8.419 ( 4.363 0.849 0.694) 4.498 8.675 ( 1.445 -2.005 0.116) 2.474 8.843 ( -2.426 9.913 -4.594) 11.192 8.910 ( 3.231 2.874 2.645) 5.069 8.943 ( 3.606 4.638 2.045) 6.221 9.518 ( 3.872 -10.394 0.706) 11.114 9.715 ( -3.041 -3.130 1.756) 4.704 10.266 ( 2.229 -2.717 3.430) 4.910 10.557 ( -1.230 -4.467 -1.808) 4.974 11.076 ( 2.382 -2.044 -0.353) 3.159 11.153 ( -2.571 -7.049 -2.861) 8.030 11.167 ( -0.544 -7.570 -2.656) 8.040 11.280 ( -2.740 -4.413 -1.539) 5.418 11.456 ( 6.271 -4.379 13.192) 15.248 11.885 ( 3.520 0.782 2.060) 4.153 12.068 ( -0.167 -0.242 -0.764) 0.818 12.126 ( 1.252 -0.580 -1.011) 1.711 12.237 ( -4.061 -1.932 -0.240) 4.504 12.429 ( -3.289 -3.820 -6.991) 8.619 12.836 ( 0.791 -1.293 5.051) 5.274 13.696 ( -0.741 1.368 -2.263) 2.747 13.753 ( -2.775 -1.357 -6.539) 7.232 13.996 ( -3.116 2.655 -6.739) 7.885 14.081 ( -0.232 12.488 0.943) 12.526 14.340 ( 4.706 2.860 2.162) 5.916 14.411 ( -3.359 3.573 -8.896) 10.158 14.659 ( -1.587 3.631 2.210) 4.537 14.701 ( -4.401 0.408 -2.629) 5.143 14.931 ( 3.123 8.606 3.375) 9.757 15.161 ( 2.999 8.520 2.872) 9.478 15.586 ( -2.916 0.905 -4.325) 5.294 16.331 ( 0.530 -3.579 2.427) 4.357 16.412 ( -0.787 -1.714 2.018) 2.762 19.961 ( 1.061 -2.401 0.620) 2.698 20.046 ( -0.491 -5.623 -0.781) 5.698 20.325 ( 0.608 1.352 0.821) 1.695 20.412 ( -0.942 0.914 0.657) 1.468 24.530 ( -0.708 0.789 1.814) 2.101 24.648 ( 0.907 1.584 -1.690) 2.488 24.795 ( 2.716 1.221 2.792) 4.082 25.216 ( -1.523 5.135 -6.284) 8.257 25.923 ( -1.826 -1.762 0.764) 2.650 26.125 ( 3.129 -0.262 -4.248) 5.282 26.293 ( 4.612 3.724 8.595) 10.441 26.720 ( -4.806 2.222 -0.710) 5.342 27.053 ( 0.759 -2.096 -0.243) 2.243 27.115 ( 0.072 -4.271 -0.620) 4.317 27.199 ( 2.462 -3.895 2.338) 5.167 27.510 ( -5.445 2.569 -3.882) 7.163 27.905 ( -0.390 -3.045 -0.100) 3.072 27.969 ( 0.094 -7.894 -0.082) 7.895 28.176 ( -2.040 -11.294 -0.431) 11.485 28.178 ( -2.086 -7.660 -0.915) 7.991 28.638 ( -0.628 4.097 5.045) 6.530 28.781 ( 1.092 0.125 0.010) 1.099 29.548 ( -0.921 8.194 2.374) 8.580 29.745 ( 5.501 4.461 -6.236) 9.437 ======================= Grid point 153 (68/141) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.687 -7.375 4.423) 8.763 1.442 ( 2.239 2.413 -0.891) 3.410 1.827 ( -0.557 -18.803 6.650) 19.952 2.006 ( -8.998 -6.693 -6.091) 12.761 2.149 ( 0.740 -8.930 -2.287) 9.247 2.289 ( 2.966 -7.848 -5.380) 9.967 2.365 ( 5.341 -7.791 -3.892) 10.216 2.609 ( 4.608 -2.923 -1.878) 5.771 2.623 ( -8.707 2.135 -1.589) 9.105 2.695 ( -0.314 3.803 1.152) 3.986 2.823 ( 6.379 -5.607 3.158) 9.061 2.925 ( -4.513 0.028 -4.553) 6.411 3.085 ( -1.507 3.854 0.406) 4.158 3.204 ( 1.715 3.864 3.738) 5.643 3.360 ( 3.829 -0.398 0.361) 3.867 3.430 ( -1.137 3.420 2.361) 4.309 3.512 ( -3.365 2.605 1.244) 4.434 3.608 ( 4.806 -2.437 3.531) 6.442 3.878 ( -3.139 -2.815 5.261) 6.742 4.029 ( -0.284 -2.615 5.312) 5.927 4.111 ( -1.935 1.952 -5.497) 6.146 4.319 ( 4.983 -4.424 3.333) 7.451 4.351 ( -6.194 -3.540 0.839) 7.184 4.475 ( 0.719 1.249 2.606) 2.978 4.580 ( 2.838 -7.216 -0.732) 7.788 4.720 ( 0.571 9.681 -2.888) 10.119 4.778 ( 1.226 -0.430 -0.946) 1.607 4.923 ( -0.936 8.818 4.343) 9.874 5.090 ( -1.902 7.045 0.756) 7.336 5.172 ( -5.810 8.945 -4.024) 11.400 5.356 ( 4.336 4.373 0.981) 6.236 5.465 ( 0.029 3.621 -0.543) 3.661 5.539 ( 2.574 0.210 -3.584) 4.417 5.760 ( 4.825 -1.494 1.556) 5.285 5.777 ( 4.194 2.693 -3.975) 6.376 6.021 ( 5.409 5.382 -4.258) 8.739 6.037 ( -3.320 1.123 -3.818) 5.183 6.300 ( -5.566 0.615 -2.041) 5.960 6.499 ( -4.059 -0.587 -5.622) 6.959 6.633 ( -0.879 3.569 -1.534) 3.983 6.717 ( -3.936 3.913 10.075) 11.502 6.949 ( 3.360 -2.765 5.415) 6.947 7.165 ( 0.482 2.284 0.384) 2.365 7.194 ( 3.239 4.363 -1.403) 5.612 7.320 ( -4.730 -4.845 0.016) 6.771 7.350 ( 3.007 -3.830 1.503) 5.096 7.530 ( -4.583 5.800 1.007) 7.460 7.635 ( -1.524 4.341 2.474) 5.224 7.820 ( 4.588 2.404 -0.189) 5.183 7.938 ( 2.511 15.430 6.501) 16.931 8.063 ( -2.060 -1.736 -3.085) 4.096 8.432 ( -0.123 1.306 -4.919) 5.091 8.562 ( -1.479 14.814 -1.734) 14.988 8.668 ( -2.628 0.383 -3.681) 4.539 8.868 ( 2.769 3.575 2.471) 5.153 8.929 ( 2.496 0.241 2.178) 3.321 9.742 ( 2.755 -9.960 -0.848) 10.369 9.797 ( -4.255 -7.751 0.040) 8.842 10.348 ( 3.473 -3.222 5.638) 7.364 10.647 ( -3.231 -5.487 -2.845) 6.974 11.151 ( 2.824 -4.044 1.222) 5.082 11.282 ( -7.498 -9.195 -4.038) 12.533 11.326 ( 3.404 -7.035 -1.166) 7.902 11.359 ( -6.993 -6.717 -2.573) 10.032 11.652 ( 11.629 -8.213 12.635) 19.035 11.896 ( 7.860 1.828 4.667) 9.322 12.075 ( -0.093 -0.558 -0.239) 0.614 12.155 ( 2.146 -1.018 -1.684) 2.911 12.234 ( -5.570 -0.584 -0.709) 5.645 12.496 ( -5.505 -5.374 -9.001) 11.841 12.889 ( 2.707 -2.678 5.700) 6.855 13.618 ( -5.755 7.697 -10.647) 14.343 13.713 ( -2.147 3.581 -1.390) 4.401 13.874 ( 0.313 4.168 -1.604) 4.477 13.922 ( -0.203 3.087 -0.937) 3.232 14.258 ( -2.995 5.440 -3.955) 7.362 14.333 ( 4.927 4.089 2.474) 6.864 14.552 ( -2.165 5.286 3.802) 6.862 14.651 ( -2.279 2.529 -2.412) 4.172 14.809 ( 5.613 6.144 6.324) 10.452 15.023 ( 3.412 7.662 0.842) 8.430 15.491 ( -5.523 5.478 -7.736) 10.971 16.396 ( 0.057 -2.361 2.217) 3.239 16.452 ( -0.424 -2.127 1.206) 2.481 20.045 ( 1.497 -4.738 1.339) 5.146 20.154 ( -1.666 -5.554 -1.772) 6.064 20.303 ( 2.395 1.453 1.568) 3.210 20.385 ( -1.856 0.795 -0.204) 2.029 24.504 ( -1.137 1.251 1.282) 2.122 24.607 ( 0.609 2.864 -1.252) 3.185 24.780 ( 2.085 1.802 2.955) 4.041 25.086 ( -2.281 6.460 -5.033) 8.501 25.960 ( -1.305 -2.866 0.499) 3.188 26.132 ( 2.203 0.266 -0.556) 2.288 26.278 ( 1.683 0.474 7.594) 7.792 26.668 ( -0.959 0.958 -2.883) 3.186 27.106 ( 0.829 -2.150 0.877) 2.466 27.150 ( -0.944 -1.003 2.048) 2.468 27.329 ( 1.579 -6.496 -2.646) 7.190 27.402 ( -3.183 5.321 -5.172) 8.075 28.028 ( 2.097 -8.275 2.253) 8.829 28.129 ( -2.250 -7.454 -0.306) 7.792 28.328 ( 1.736 -7.211 -0.641) 7.445 28.453 ( -3.232 -16.272 -2.047) 16.716 28.550 ( -0.645 3.373 4.179) 5.409 28.771 ( 0.951 0.922 -1.182) 1.775 29.354 ( -1.108 9.973 3.727) 10.704 29.663 ( 3.600 5.604 -4.379) 7.972 ======================= Grid point 154 (69/141) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 2.047 -11.690 0.280) 11.871 1.447 ( 0.825 -2.278 -0.234) 2.434 2.088 ( -8.556 -8.610 -4.065) 12.800 2.194 ( -2.421 -16.207 2.141) 16.526 2.289 ( -5.523 -4.130 -2.014) 7.184 2.346 ( -2.879 1.054 -6.193) 6.911 2.496 ( -2.350 -4.367 0.223) 4.964 2.504 ( -7.812 3.392 -1.197) 8.600 2.630 ( 6.041 2.037 -3.230) 7.147 2.715 ( 2.335 -4.126 -6.708) 8.215 2.899 ( -2.740 -0.197 -1.609) 3.183 2.981 ( 6.919 -0.442 14.530) 16.099 3.060 ( 8.158 -7.787 -4.584) 12.174 3.181 ( 2.601 3.523 3.417) 5.554 3.382 ( 0.835 -0.959 4.572) 4.746 3.397 ( 0.831 1.311 5.797) 6.001 3.522 ( -3.615 -6.361 -3.573) 8.142 3.678 ( 0.893 -4.114 -3.463) 5.451 3.914 ( -5.494 -2.938 4.037) 7.424 3.998 ( 0.591 4.067 -2.671) 4.901 4.088 ( -1.792 0.715 0.670) 2.042 4.263 ( -0.132 7.754 3.512) 8.513 4.343 ( -4.719 6.782 -5.494) 9.922 4.424 ( 9.400 4.818 1.197) 10.630 4.524 ( -2.603 7.451 1.102) 7.969 4.651 ( 0.235 9.628 -1.773) 9.792 4.783 ( -4.841 -7.703 3.000) 9.580 4.797 ( 3.775 7.628 5.182) 9.964 4.928 ( -1.406 10.598 -0.127) 10.692 5.034 ( 2.798 -4.132 0.927) 5.075 5.275 ( -0.916 4.135 -0.802) 4.310 5.403 ( -1.292 2.394 7.491) 7.970 5.572 ( 0.990 -1.153 -2.538) 2.958 5.748 ( 5.445 3.590 -4.173) 7.743 5.811 ( 8.558 0.994 2.880) 9.084 5.972 ( 6.007 4.365 -2.657) 7.887 5.990 ( -2.135 1.071 1.592) 2.870 6.239 ( -9.359 0.960 -9.630) 13.463 6.454 ( -7.147 1.395 -3.946) 8.282 6.595 ( -1.435 -1.363 -3.097) 3.675 6.665 ( -0.080 0.768 5.171) 5.228 6.983 ( 2.516 0.742 -1.307) 2.931 7.096 ( -0.644 5.960 -0.426) 6.010 7.119 ( -0.886 2.617 -0.731) 2.858 7.297 ( 2.990 7.008 3.026) 8.198 7.406 ( -4.932 -4.859 2.117) 7.240 7.481 ( 1.595 2.422 -0.388) 2.926 7.582 ( -2.554 -1.760 2.671) 4.093 7.685 ( 4.804 9.938 5.110) 12.164 7.849 ( 6.817 -1.051 2.196) 7.239 8.138 ( 0.741 -3.924 0.233) 4.000 8.289 ( 1.641 9.180 0.539) 9.342 8.343 ( -4.562 6.045 -5.708) 9.484 8.680 ( -4.371 -2.751 -5.191) 7.322 8.805 ( 2.388 4.533 3.326) 6.109 8.920 ( 0.270 2.115 -0.572) 2.207 9.916 ( -3.639 -8.664 -1.226) 9.477 9.968 ( 2.066 -9.142 -0.866) 9.412 10.434 ( 4.456 -3.006 6.812) 8.677 10.702 ( -6.173 -2.911 -4.733) 8.305 11.264 ( 3.768 -4.868 3.414) 7.039 11.408 ( -6.773 -7.784 -4.352) 11.199 11.436 ( -3.641 -5.048 -0.733) 6.267 11.478 ( 0.792 -6.497 -0.713) 6.583 11.838 ( 8.287 -0.838 7.206) 11.014 11.943 ( 10.317 -2.689 6.995) 12.752 12.083 ( -0.551 -0.433 -0.628) 0.941 12.178 ( 2.714 0.453 -1.179) 2.993 12.197 ( -4.249 0.584 -0.153) 4.291 12.537 ( -9.177 -3.428 -11.098) 14.803 12.968 ( 3.812 -2.835 5.436) 7.219 13.368 ( -8.815 8.746 -7.021) 14.265 13.670 ( 0.884 1.240 1.351) 2.036 13.805 ( 0.094 3.867 -3.612) 5.293 13.927 ( 2.635 -1.735 0.578) 3.208 14.152 ( -3.997 2.556 -4.927) 6.840 14.300 ( 8.496 3.320 7.879) 12.054 14.459 ( -1.852 2.771 1.565) 3.682 14.586 ( -2.125 2.533 -1.867) 3.797 14.742 ( 2.930 4.107 3.408) 6.088 14.915 ( 4.949 5.751 2.808) 8.090 15.320 ( -6.468 7.421 -8.793) 13.200 16.420 ( -0.760 -0.315 1.575) 1.777 16.477 ( -0.705 -0.627 0.433) 1.038 20.145 ( 1.732 -4.033 1.427) 4.615 20.221 ( -2.336 -2.380 -1.867) 3.822 20.313 ( 3.697 -0.646 1.825) 4.174 20.365 ( -2.232 -0.212 -0.827) 2.390 24.471 ( -1.618 1.212 0.387) 2.059 24.552 ( 0.500 2.795 -0.669) 2.917 24.757 ( 1.690 1.753 2.696) 3.633 24.944 ( -3.411 5.801 -3.983) 7.820 26.018 ( -0.298 -3.477 1.320) 3.731 26.170 ( 1.877 -3.045 0.651) 3.636 26.273 ( -0.253 1.016 6.229) 6.317 26.664 ( 1.836 -0.027 -2.998) 3.515 27.102 ( -0.995 1.621 0.021) 1.902 27.199 ( -1.788 -3.314 1.724) 4.142 27.267 ( -2.059 5.650 -3.661) 7.040 27.456 ( 2.803 -5.114 -4.640) 7.452 28.205 ( 2.494 -6.216 1.344) 6.832 28.215 ( -1.569 -3.054 -0.069) 3.434 28.416 ( 1.369 -0.054 2.640) 2.975 28.481 ( -3.750 -0.363 3.989) 5.487 28.754 ( -2.763 -12.396 -7.237) 14.618 28.784 ( 1.370 -1.808 -1.479) 2.708 29.210 ( 0.016 2.663 6.648) 7.162 29.588 ( 4.337 4.305 -3.170) 6.884 ======================= Grid point 155 (70/141) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -1.076 -5.434 -2.062) 5.911 1.560 ( 1.658 -4.967 -1.717) 5.511 2.122 ( -11.711 0.801 -4.147) 12.449 2.197 ( -10.879 2.165 -1.355) 11.175 2.320 ( 2.016 4.200 0.301) 4.669 2.390 ( -2.153 -2.366 -1.194) 3.415 2.486 ( 0.736 -7.727 -3.829) 8.655 2.578 ( -1.905 -5.932 -4.788) 7.857 2.629 ( 2.234 -0.340 -0.696) 2.364 2.775 ( 4.776 -1.514 -2.327) 5.524 2.930 ( 1.784 2.153 0.391) 2.823 3.088 ( 5.452 1.208 5.339) 7.726 3.118 ( 6.171 -5.798 13.177) 15.663 3.280 ( 4.842 -7.029 -3.418) 9.194 3.360 ( -6.504 -0.651 2.171) 6.887 3.431 ( -6.629 2.054 -2.721) 7.454 3.585 ( 1.273 -6.586 -1.229) 6.819 3.820 ( 2.652 -6.147 -5.766) 8.836 3.895 ( -3.251 3.454 2.337) 5.288 3.944 ( 0.907 1.615 -0.138) 1.857 4.008 ( 0.586 5.885 -2.257) 6.330 4.135 ( -0.421 4.558 2.087) 5.030 4.154 ( -3.079 5.636 -3.757) 7.440 4.305 ( -3.236 7.300 -0.414) 7.995 4.417 ( 1.502 3.640 2.981) 4.938 4.515 ( 5.053 5.835 -2.483) 8.109 4.646 ( 4.977 5.445 5.154) 8.999 4.785 ( 0.950 2.865 4.437) 5.367 4.895 ( -1.359 -3.114 7.639) 8.361 5.178 ( -0.249 -3.745 2.782) 4.671 5.205 ( -1.399 -0.481 -0.232) 1.498 5.394 ( 1.942 -0.478 6.332) 6.641 5.570 ( 0.817 2.426 -0.754) 2.669 5.708 ( 1.467 0.968 -4.394) 4.733 5.790 ( 3.676 4.076 -0.125) 5.490 5.887 ( 1.056 7.060 1.844) 7.373 5.968 ( -2.943 1.624 1.927) 3.875 6.140 ( -8.413 0.508 -15.397) 17.553 6.420 ( -3.989 -1.525 -0.653) 4.320 6.612 ( -1.814 -0.524 4.161) 4.570 6.684 ( 3.213 -1.278 -5.255) 6.291 6.962 ( 1.908 2.169 -1.151) 3.110 7.020 ( 1.787 1.756 3.573) 4.364 7.068 ( -0.113 1.835 -2.681) 3.250 7.234 ( -1.707 0.944 2.631) 3.276 7.354 ( -1.988 8.384 -0.743) 8.649 7.432 ( 3.500 0.603 4.116) 5.436 7.567 ( 4.061 5.096 2.889) 7.128 7.673 ( -4.660 -8.758 3.378) 10.479 7.960 ( 1.988 -0.875 -1.450) 2.612 8.073 ( 4.250 3.035 -2.424) 5.758 8.218 ( -4.052 2.537 -7.894) 9.228 8.349 ( 5.874 -6.530 8.189) 12.009 8.684 ( -4.533 -0.623 -5.749) 7.347 8.731 ( 0.340 4.096 3.228) 5.227 8.845 ( -1.227 4.859 -1.404) 5.204 10.039 ( -3.381 -5.724 -1.249) 6.764 10.135 ( 2.892 -5.867 -0.859) 6.597 10.531 ( 5.526 -3.491 6.850) 9.468 10.686 ( -7.448 -0.121 -5.373) 9.184 11.360 ( 3.501 -2.017 3.381) 5.268 11.461 ( -4.090 -1.174 -3.005) 5.209 11.513 ( -4.450 -4.639 -1.016) 6.508 11.596 ( 1.584 -4.604 0.218) 4.874 11.851 ( 10.001 2.911 7.076) 12.592 11.975 ( -7.931 1.230 -5.757) 9.877 12.125 ( 2.885 -1.539 2.059) 3.864 12.159 ( 1.580 1.292 0.330) 2.068 12.223 ( 5.927 -2.138 5.966) 8.677 12.516 ( -9.823 -1.425 -10.591) 14.515 13.042 ( 4.242 -1.989 4.836) 6.734 13.208 ( -5.848 3.361 -4.015) 7.849 13.666 ( 1.106 -0.038 1.197) 1.630 13.735 ( -0.088 2.919 -1.468) 3.268 13.993 ( 4.675 -2.580 2.276) 5.804 14.098 ( -5.606 0.092 -5.285) 7.705 14.319 ( 9.721 0.965 7.489) 12.309 14.415 ( -2.286 1.156 -2.044) 3.277 14.541 ( -2.576 -0.276 -0.237) 2.601 14.678 ( -0.241 3.465 0.274) 3.484 14.863 ( 5.089 3.106 4.455) 7.443 15.144 ( -4.881 5.746 -7.616) 10.717 16.410 ( -0.782 0.620 1.166) 1.534 16.469 ( -0.918 0.855 -0.093) 1.258 20.210 ( 1.261 -1.541 0.660) 2.098 20.233 ( -1.041 -0.476 -0.871) 1.438 20.354 ( 1.768 -1.166 0.941) 2.318 20.369 ( -1.196 -1.280 -0.546) 1.835 24.444 ( -1.653 0.383 -0.641) 1.814 24.509 ( 0.485 1.908 -0.134) 1.973 24.738 ( 1.688 1.241 2.101) 2.967 24.826 ( -2.918 3.989 -2.839) 5.700 26.085 ( 0.613 -2.928 3.000) 4.237 26.233 ( -1.847 0.835 6.714) 7.014 26.280 ( 2.195 -4.927 -1.837) 5.698 26.669 ( 2.265 1.111 -2.999) 3.919 27.059 ( -2.203 1.757 -0.866) 2.948 27.119 ( -2.028 5.046 -2.080) 5.822 27.278 ( 0.318 -2.544 2.133) 3.335 27.557 ( 2.050 -3.777 -5.755) 7.182 28.227 ( 0.108 0.226 0.152) 0.293 28.261 ( -0.096 0.794 -1.088) 1.351 28.440 ( 2.766 -0.711 5.479) 6.178 28.470 ( -4.255 -0.655 0.662) 4.356 28.810 ( -1.124 -0.194 1.626) 1.986 28.892 ( -0.217 -4.652 -5.382) 7.117 29.289 ( -2.194 -8.831 2.878) 9.544 29.534 ( 5.849 4.541 -1.281) 7.515 ======================= Grid point 156 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.562 0.222 -2.878) 2.941 1.597 ( -3.952 -1.035 -4.292) 5.925 2.020 ( -7.810 4.220 -1.736) 9.046 2.081 ( -1.055 1.877 -0.826) 2.306 2.239 ( 5.160 6.178 -0.171) 8.051 2.386 ( 3.032 2.294 -0.427) 3.826 2.605 ( 1.342 1.949 0.443) 2.408 2.637 ( 0.907 -4.793 -5.530) 7.374 2.732 ( -2.077 -6.870 -3.559) 8.011 2.807 ( 5.215 9.220 4.896) 11.669 2.854 ( 5.199 -3.186 0.555) 6.123 3.111 ( 2.600 3.126 0.448) 4.090 3.224 ( -4.385 1.579 6.980) 8.393 3.250 ( -3.440 1.459 -5.097) 6.320 3.386 ( -1.643 -4.767 4.592) 6.820 3.406 ( 2.663 -0.836 1.389) 3.118 3.700 ( 3.013 4.407 -2.829) 6.042 3.819 ( 3.084 2.509 0.090) 3.977 3.855 ( 1.611 -0.318 -5.976) 6.198 3.923 ( -0.412 -1.541 -3.114) 3.499 3.969 ( -4.433 -3.647 -3.161) 6.553 4.062 ( -5.258 -1.289 -0.542) 5.440 4.141 ( -6.468 -1.687 -2.010) 6.980 4.242 ( 1.950 -3.310 2.772) 4.738 4.386 ( 1.035 -0.276 5.702) 5.802 4.460 ( -0.116 0.284 -4.932) 4.941 4.607 ( 3.269 1.957 6.706) 7.713 4.866 ( 1.616 -6.440 5.280) 8.483 4.907 ( -1.014 0.896 7.943) 8.058 5.191 ( 0.001 -2.030 -2.906) 3.545 5.244 ( -0.068 -0.378 6.005) 6.017 5.398 ( -0.621 1.087 4.336) 4.513 5.506 ( -0.960 4.390 2.688) 5.236 5.693 ( -2.905 -1.970 -6.250) 7.168 5.752 ( 3.727 1.839 0.452) 4.180 5.790 ( -0.875 0.847 0.700) 1.405 5.924 ( -1.618 0.457 -2.754) 3.226 6.125 ( 3.953 0.579 -8.207) 9.127 6.431 ( -2.461 -1.054 0.963) 2.845 6.609 ( -0.359 -0.143 5.311) 5.325 6.727 ( 2.667 -1.263 -6.638) 7.264 6.955 ( 3.659 1.850 3.582) 5.445 6.996 ( -1.709 1.027 -1.239) 2.347 7.017 ( -1.362 2.110 -3.897) 4.637 7.229 ( -0.831 -1.299 1.951) 2.487 7.253 ( -3.919 -2.516 2.265) 5.179 7.453 ( 3.726 0.124 2.707) 4.607 7.523 ( 1.797 1.332 0.608) 2.319 7.819 ( -1.804 -1.434 4.937) 5.449 7.861 ( -5.499 -1.124 -3.368) 6.545 8.119 ( 6.153 -0.373 -1.521) 6.349 8.224 ( 1.467 -2.595 -5.272) 6.057 8.493 ( -0.386 -2.936 1.989) 3.568 8.592 ( -5.017 6.250 -0.178) 8.017 8.698 ( -1.858 -2.650 -4.093) 5.218 8.766 ( 4.427 3.010 3.012) 6.143 10.082 ( -1.409 0.002 -0.533) 1.507 10.210 ( 2.541 0.123 -0.755) 2.653 10.598 ( -4.894 1.441 -1.747) 5.393 10.650 ( 3.591 -1.541 3.265) 5.092 11.378 ( 1.729 2.133 0.641) 2.819 11.427 ( -1.230 1.707 -2.249) 3.080 11.537 ( 0.057 0.947 1.468) 1.748 11.650 ( -0.152 0.264 -1.288) 1.324 11.903 ( -5.586 -1.778 -2.545) 6.391 11.904 ( 5.485 -1.521 5.119) 7.655 12.138 ( -0.723 -0.317 -0.928) 1.218 12.154 ( 1.406 0.491 0.396) 1.541 12.278 ( -2.788 -0.229 0.620) 2.865 12.502 ( 2.613 -0.500 -1.500) 3.054 13.088 ( 1.142 0.501 2.011) 2.366 13.143 ( -1.190 0.322 -1.138) 1.678 13.669 ( 0.387 0.667 0.402) 0.870 13.708 ( -0.626 -0.935 -0.428) 1.204 14.063 ( -3.689 -1.219 -2.253) 4.491 14.085 ( 2.538 -2.411 2.223) 4.147 14.362 ( -4.447 1.394 -4.434) 6.433 14.376 ( 7.649 -0.544 4.225) 8.755 14.573 ( -3.245 -2.453 -0.496) 4.098 14.610 ( -0.085 1.642 1.554) 2.262 14.844 ( 0.777 1.024 1.505) 1.979 15.068 ( 0.229 -0.327 -4.247) 4.266 16.395 ( 0.327 0.749 1.159) 1.418 16.443 ( -0.247 1.100 -0.361) 1.184 20.221 ( 0.403 0.740 -0.270) 0.885 20.236 ( -0.412 -0.272 -0.593) 0.771 20.371 ( -0.452 -0.222 0.125) 0.519 20.391 ( 0.468 -0.743 0.595) 1.061 24.439 ( -1.080 -0.819 -1.479) 2.006 24.483 ( 0.295 1.034 0.365) 1.135 24.727 ( 0.125 0.998 0.147) 1.016 24.763 ( 1.033 1.020 -0.582) 1.564 26.128 ( -0.060 -0.378 4.376) 4.392 26.199 ( -0.607 0.852 5.511) 5.609 26.399 ( -1.567 -5.315 -1.929) 5.868 26.641 ( 2.497 2.433 -4.106) 5.387 27.007 ( -1.243 1.337 -0.313) 1.852 27.061 ( 0.279 0.801 -0.817) 1.178 27.307 ( -0.217 -0.030 2.108) 2.119 27.616 ( 1.023 -1.476 -6.388) 6.636 28.230 ( 0.717 -0.670 0.304) 1.027 28.240 ( -0.992 0.152 -0.723) 1.237 28.432 ( -4.212 0.652 -1.975) 4.698 28.456 ( 4.331 3.000 4.429) 6.883 28.795 ( -0.381 0.998 3.778) 3.926 28.974 ( 0.195 -4.007 -1.534) 4.295 29.376 ( -1.747 3.054 -0.322) 3.533 29.521 ( 1.617 -3.593 -0.961) 4.055 ======================= Grid point 162 (72/141) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.842 -0.000 8.911) 10.141 1.360 ( -3.763 0.000 5.008) 6.264 1.623 ( 1.134 -0.000 0.603) 1.284 1.839 ( 5.379 -0.000 -2.360) 5.874 1.911 ( -9.412 0.000 -10.389) 14.019 2.056 ( 4.274 -0.000 6.347) 7.652 2.156 ( 8.555 -0.000 -11.097) 14.012 2.404 ( 1.042 -0.000 11.110) 11.159 2.703 ( 3.207 -0.000 -7.950) 8.572 2.715 ( -10.801 0.000 -0.114) 10.802 2.821 ( 2.441 -0.000 -7.771) 8.145 2.909 ( -5.602 0.000 -3.535) 6.624 3.168 ( -18.834 0.000 -1.476) 18.892 3.195 ( 3.122 -0.000 7.680) 8.290 3.470 ( 3.085 -0.000 1.808) 3.576 3.501 ( 5.282 -0.000 -1.831) 5.591 3.605 ( 4.319 -0.000 7.700) 8.828 3.628 ( 0.973 -0.000 1.233) 1.571 3.893 ( -1.413 0.000 14.014) 14.085 3.896 ( 0.027 -0.000 7.881) 7.881 4.078 ( -1.529 0.000 -6.618) 6.792 4.132 ( 0.863 -0.000 8.187) 8.232 4.222 ( 3.244 -0.000 -8.117) 8.741 4.446 ( -4.087 0.000 -2.803) 4.956 4.505 ( 6.425 -0.000 3.571) 7.351 4.676 ( 6.041 -0.000 5.369) 8.082 4.962 ( -1.408 0.000 -0.672) 1.560 5.048 ( 0.603 -0.000 -10.086) 10.104 5.290 ( -0.996 0.000 -3.756) 3.886 5.411 ( -5.902 0.000 2.757) 6.514 5.413 ( -1.159 0.000 1.568) 1.950 5.456 ( 7.478 -0.000 -7.140) 10.339 5.635 ( -4.837 0.000 -2.383) 5.392 5.746 ( 3.744 -0.000 -6.058) 7.122 5.755 ( 6.213 -0.000 -0.582) 6.240 6.050 ( -4.961 0.000 -9.680) 10.877 6.182 ( -0.316 0.000 -3.019) 3.035 6.395 ( -8.169 0.000 -11.426) 14.046 6.411 ( 4.161 -0.000 4.565) 6.177 6.716 ( -0.245 0.000 6.376) 6.381 6.830 ( 6.717 -0.000 14.802) 16.255 6.876 ( 0.282 -0.000 7.497) 7.502 7.154 ( 1.851 -0.000 8.092) 8.301 7.285 ( -3.032 0.000 1.084) 3.220 7.287 ( 1.881 -0.000 -1.297) 2.284 7.466 ( 2.409 -0.000 3.546) 4.287 7.488 ( -1.931 0.000 1.242) 2.296 7.772 ( -1.312 0.000 -2.122) 2.495 7.782 ( -0.412 0.000 0.265) 0.489 7.985 ( -8.717 0.000 -17.301) 19.373 8.468 ( -0.209 0.000 1.884) 1.896 8.504 ( 6.874 -0.000 6.305) 9.328 8.647 ( 2.339 -0.000 0.551) 2.403 8.866 ( -5.888 0.000 -6.505) 8.774 8.952 ( -0.988 0.000 2.850) 3.017 9.051 ( -0.197 0.000 -2.181) 2.190 9.431 ( 7.925 -0.000 6.187) 10.054 9.664 ( -5.382 0.000 0.899) 5.457 10.251 ( 2.311 -0.000 3.256) 3.993 10.499 ( -2.221 0.000 -2.841) 3.606 11.006 ( -10.004 0.000 -3.206) 10.506 11.081 ( 2.322 -0.000 1.172) 2.601 11.108 ( 3.389 -0.000 -2.883) 4.449 11.227 ( -2.091 0.000 -1.822) 2.773 11.459 ( 8.784 -0.000 14.462) 16.920 11.932 ( 8.454 -0.000 4.658) 9.652 12.064 ( 0.078 -0.000 -2.101) 2.102 12.127 ( 1.193 -0.000 0.539) 1.309 12.195 ( -2.950 0.000 -1.492) 3.306 12.363 ( -4.736 0.000 -8.418) 9.659 12.839 ( 3.395 -0.000 6.677) 7.491 13.710 ( -2.711 0.000 -9.883) 10.248 13.712 ( -0.210 0.000 0.162) 0.265 14.004 ( -2.341 0.000 -7.378) 7.740 14.230 ( 1.515 -0.000 0.682) 1.661 14.370 ( -2.548 0.000 -7.523) 7.943 14.429 ( -1.394 0.000 -4.575) 4.782 14.663 ( -2.279 0.000 -3.893) 4.511 14.710 ( 0.638 -0.000 6.005) 6.038 15.017 ( -1.952 0.000 -2.457) 3.138 15.290 ( 2.161 -0.000 5.528) 5.935 15.568 ( -2.401 0.000 -2.882) 3.751 16.292 ( 0.298 -0.000 2.561) 2.578 16.383 ( -2.124 0.000 2.005) 2.921 19.955 ( 0.811 -0.000 -0.009) 0.811 19.968 ( -1.258 0.000 -0.119) 1.264 20.347 ( 1.680 -0.000 1.465) 2.229 20.415 ( -1.680 0.000 0.324) 1.711 24.533 ( -0.995 0.000 1.662) 1.937 24.666 ( 0.273 -0.000 -1.731) 1.752 24.824 ( 2.129 -0.000 3.789) 4.346 25.250 ( -3.368 0.000 -7.208) 7.956 25.895 ( -1.233 0.000 -0.408) 1.298 26.139 ( 3.979 -0.000 -3.956) 5.611 26.403 ( 7.852 -0.000 9.043) 11.976 26.715 ( -4.320 0.000 -0.636) 4.366 27.025 ( 0.520 -0.000 -1.419) 1.511 27.046 ( -0.544 0.000 0.074) 0.549 27.183 ( 1.973 -0.000 4.151) 4.596 27.500 ( -5.064 0.000 -3.889) 6.385 27.872 ( -2.860 0.000 -2.211) 3.615 27.875 ( -0.124 0.000 -0.647) 0.658 28.065 ( -0.321 0.000 0.617) 0.696 28.080 ( 0.533 -0.000 -0.337) 0.630 28.679 ( -1.545 0.000 4.619) 4.870 28.791 ( 2.042 -0.000 0.926) 2.242 29.615 ( -4.153 0.000 0.990) 4.270 29.834 ( 6.656 -0.000 -5.425) 8.587 ======================= Grid point 163 (73/141) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -3.820 2.001 7.744) 8.864 1.472 ( -2.089 -10.244 4.647) 11.441 1.572 ( 1.802 1.904 1.324) 2.937 1.826 ( -14.946 -2.849 -6.875) 16.696 1.983 ( 1.630 -7.721 -4.487) 9.077 2.175 ( 4.440 -6.916 2.846) 8.697 2.252 ( 7.073 -4.489 -8.686) 12.068 2.510 ( 2.858 -7.852 7.066) 10.943 2.628 ( -6.494 1.870 -0.532) 6.779 2.741 ( 2.310 -0.836 -3.498) 4.275 2.791 ( -0.259 1.842 -3.014) 3.542 2.905 ( -3.907 -0.638 -7.710) 8.667 3.066 ( -6.413 -2.444 2.293) 7.236 3.265 ( -5.123 -2.834 4.998) 7.698 3.397 ( 2.960 6.748 1.665) 7.555 3.477 ( -2.209 3.820 -4.165) 6.068 3.561 ( -2.072 2.421 1.389) 3.476 3.647 ( 2.755 1.204 8.690) 9.196 3.846 ( -1.303 1.370 8.350) 8.561 3.944 ( -2.464 -3.586 9.933) 10.844 4.098 ( -2.789 -1.455 -6.735) 7.434 4.199 ( -1.411 -5.593 5.445) 7.932 4.266 ( 2.420 -3.532 -3.850) 5.758 4.449 ( -2.623 -2.496 -2.069) 4.170 4.559 ( 10.935 0.211 4.169) 11.705 4.758 ( 4.819 -3.218 4.492) 7.332 4.907 ( 3.864 5.926 -2.504) 7.504 5.035 ( 2.003 2.308 -6.785) 7.441 5.211 ( -4.038 6.018 -3.961) 8.259 5.269 ( -5.815 7.710 2.113) 9.886 5.438 ( 0.338 0.793 3.049) 3.169 5.486 ( 4.310 -0.344 -7.666) 8.801 5.639 ( -0.821 -0.361 0.665) 1.116 5.734 ( 5.384 4.105 -0.181) 6.772 5.805 ( 4.763 -3.394 -6.824) 8.988 6.027 ( -1.792 -0.333 -9.501) 9.674 6.163 ( 2.562 2.884 -3.632) 5.298 6.292 ( -3.870 3.567 -3.527) 6.336 6.456 ( -1.309 -1.227 -2.314) 2.928 6.691 ( -0.955 1.925 5.788) 6.174 6.809 ( -1.752 6.608 7.079) 9.841 6.930 ( 9.123 -3.111 14.910) 17.754 7.190 ( -1.286 -1.461 2.384) 3.078 7.243 ( 2.033 3.342 -0.374) 3.930 7.296 ( 2.512 -2.466 -0.299) 3.533 7.352 ( 1.265 6.060 2.976) 6.869 7.567 ( -1.184 -0.571 0.730) 1.503 7.697 ( -2.222 3.452 -0.665) 4.159 7.824 ( 0.521 -2.415 -0.240) 2.482 7.985 ( -6.460 -3.822 -11.002) 13.319 8.280 ( -0.044 15.675 3.013) 15.962 8.469 ( 3.912 3.646 0.542) 5.375 8.688 ( 0.073 1.502 0.692) 1.655 8.794 ( -4.231 6.081 -4.500) 8.668 8.926 ( -0.822 0.811 2.239) 2.519 8.967 ( 0.126 4.614 1.105) 4.747 9.577 ( 5.328 -8.293 3.271) 10.385 9.653 ( -6.836 -3.396 -0.579) 7.655 10.303 ( 3.022 -3.257 4.997) 6.687 10.527 ( -3.280 -4.265 -3.279) 6.301 11.029 ( -10.696 -8.172 -3.398) 13.883 11.108 ( 1.474 -1.974 1.468) 2.868 11.209 ( 4.337 -6.961 -1.202) 8.289 11.236 ( -4.265 -2.744 -2.456) 5.636 11.585 ( 11.203 -5.756 13.737) 18.637 11.974 ( 7.900 1.164 4.245) 9.044 12.074 ( 1.716 -0.465 -0.781) 1.942 12.147 ( 2.973 -0.813 0.058) 3.083 12.186 ( -4.261 -0.836 -1.600) 4.627 12.366 ( -5.483 -3.771 -10.097) 12.092 12.882 ( 6.394 -1.032 8.270) 10.504 13.673 ( -2.478 2.087 -10.877) 11.349 13.720 ( -1.595 -0.435 -3.951) 4.283 13.958 ( -2.151 3.256 -8.603) 9.447 14.073 ( -1.674 11.602 1.959) 11.885 14.339 ( -4.934 3.170 -9.078) 10.807 14.402 ( 4.647 1.617 3.468) 6.020 14.649 ( -2.355 1.892 -2.003) 3.624 14.665 ( -0.995 3.579 4.948) 6.188 14.950 ( -0.399 4.629 -0.917) 4.736 15.214 ( 5.448 8.009 5.988) 11.387 15.529 ( -5.567 2.390 -6.374) 8.794 16.333 ( -0.713 -3.370 2.410) 4.204 16.399 ( -1.647 -2.488 1.751) 3.460 19.974 ( 0.779 -2.933 1.249) 3.282 20.032 ( -1.382 -5.331 -1.420) 5.687 20.347 ( 2.686 1.172 1.845) 3.463 20.391 ( -2.404 0.994 -0.308) 2.620 24.519 ( -1.301 0.837 1.401) 2.088 24.651 ( -0.208 1.472 -1.474) 2.093 24.823 ( 1.364 1.240 4.064) 4.463 25.176 ( -4.148 4.614 -7.256) 9.546 25.906 ( -0.919 -1.686 -0.770) 2.069 26.165 ( 3.698 0.105 -2.651) 4.551 26.358 ( 4.778 6.334 11.087) 13.634 26.681 ( -1.266 1.081 -2.990) 3.423 27.058 ( -0.104 -2.241 0.756) 2.367 27.115 ( 0.285 -4.260 -0.223) 4.275 27.220 ( 0.233 -3.228 2.315) 3.979 27.456 ( -2.397 1.650 -5.768) 6.461 27.902 ( -0.232 -5.087 0.344) 5.104 27.958 ( -1.697 -7.341 -0.722) 7.570 28.160 ( -0.480 -9.661 -0.587) 9.690 28.183 ( 2.687 -8.587 -0.863) 9.039 28.629 ( -1.386 3.778 4.375) 5.944 28.797 ( 1.456 0.691 0.723) 1.766 29.513 ( -4.849 6.970 0.471) 8.503 29.807 ( 5.469 5.660 -3.780) 8.731 ======================= Grid point 164 (74/141) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -1.826 -9.842 4.660) 11.041 1.476 ( 3.227 3.274 -0.732) 4.654 1.776 ( -12.507 -15.487 0.805) 19.923 1.880 ( -5.761 -11.986 -0.464) 13.306 2.139 ( -3.034 -7.620 -2.591) 8.601 2.286 ( -1.941 -3.646 -8.417) 9.376 2.380 ( -4.482 -4.866 1.009) 6.692 2.530 ( -3.354 1.567 -2.217) 4.315 2.675 ( 6.208 -1.391 -2.152) 6.716 2.692 ( -2.030 1.362 -1.910) 3.102 2.854 ( -5.191 -3.795 -2.818) 7.021 2.943 ( 10.974 -5.335 9.285) 15.333 3.088 ( 2.713 3.192 -3.257) 5.306 3.214 ( -2.339 -1.025 4.015) 4.758 3.358 ( -5.103 -1.751 -1.797) 5.686 3.430 ( 1.769 0.895 -1.704) 2.614 3.484 ( 0.045 3.814 6.485) 7.523 3.629 ( -2.267 0.145 2.642) 3.484 3.843 ( -2.338 -1.330 4.771) 5.477 4.013 ( -2.847 -4.286 7.228) 8.872 4.069 ( -3.255 1.730 -5.957) 7.005 4.284 ( -2.787 -3.609 4.952) 6.731 4.355 ( -0.464 -2.339 -3.970) 4.631 4.510 ( -0.055 -4.331 3.798) 5.761 4.623 ( 7.460 -0.522 1.750) 7.680 4.734 ( 0.730 8.810 -4.812) 10.065 4.806 ( 4.579 7.314 -3.187) 9.199 4.947 ( 3.574 7.825 4.896) 9.898 5.067 ( -3.052 3.835 -0.216) 4.906 5.102 ( -2.136 6.018 -3.737) 7.399 5.401 ( 1.410 4.434 2.930) 5.499 5.467 ( -0.278 5.549 0.298) 5.564 5.580 ( 4.519 2.603 -1.627) 5.463 5.753 ( -0.415 -2.683 0.686) 2.800 5.892 ( 8.327 -1.285 -3.883) 9.277 6.015 ( 1.139 1.978 -6.268) 6.671 6.105 ( 7.454 4.643 -1.579) 8.923 6.214 ( -6.086 2.179 -6.275) 9.009 6.447 ( -3.747 0.618 -2.315) 4.448 6.623 ( -1.402 5.873 -2.542) 6.552 6.680 ( -2.653 1.450 9.681) 10.142 7.014 ( 6.596 0.495 6.965) 9.605 7.160 ( -1.508 2.999 -0.999) 3.502 7.234 ( 0.742 5.158 -0.798) 5.272 7.254 ( -1.732 -3.768 1.506) 4.412 7.423 ( 6.235 -1.624 1.245) 6.562 7.487 ( -1.767 2.778 1.929) 3.816 7.612 ( -1.612 4.288 -1.790) 4.919 7.883 ( 4.892 0.360 4.807) 6.868 7.943 ( -2.295 8.575 1.517) 9.006 8.060 ( 1.613 0.459 0.004) 1.677 8.436 ( 1.662 3.621 -5.015) 6.405 8.512 ( -5.650 11.535 -1.356) 12.916 8.641 ( -1.547 4.331 -2.500) 5.235 8.891 ( 0.256 3.018 2.754) 4.093 8.945 ( 0.030 0.044 0.102) 0.115 9.724 ( -5.270 -7.883 -1.233) 9.562 9.788 ( 2.626 -9.952 0.851) 10.327 10.398 ( 3.740 -3.722 6.833) 8.633 10.593 ( -5.098 -4.413 -4.151) 7.918 11.154 ( -10.693 -10.267 -2.876) 15.101 11.187 ( 2.606 -5.058 2.242) 6.115 11.283 ( -6.353 -5.476 -3.096) 8.940 11.389 ( 5.987 -7.396 0.800) 9.549 11.795 ( 9.987 -7.251 10.794) 16.396 11.993 ( 3.776 0.613 1.818) 4.236 12.091 ( 3.625 0.374 0.711) 3.713 12.167 ( -5.127 -0.477 -1.125) 5.270 12.191 ( 4.253 -1.189 -1.102) 4.551 12.412 ( -5.499 -3.760 -10.427) 12.374 12.959 ( 8.283 -1.730 8.909) 12.287 13.499 ( -10.970 10.730 -15.037) 21.484 13.697 ( -0.609 1.201 0.307) 1.381 13.872 ( 0.285 2.773 -5.509) 6.174 13.942 ( 2.126 2.343 4.498) 5.500 14.216 ( -2.237 5.742 -5.256) 8.100 14.400 ( 5.024 2.031 4.459) 7.018 14.535 ( -1.590 5.615 4.920) 7.633 14.615 ( -3.258 2.042 -2.667) 4.679 14.853 ( 0.872 5.370 -0.810) 5.500 15.097 ( 8.391 8.039 7.155) 13.646 15.400 ( -8.078 5.796 -10.023) 14.118 16.383 ( -2.805 -2.341 1.300) 3.878 16.445 ( -0.689 -2.372 1.628) 2.958 20.067 ( 1.949 -5.042 2.160) 5.822 20.130 ( -1.664 -5.110 -2.229) 5.818 20.344 ( 3.333 1.003 1.894) 3.963 20.355 ( -2.550 0.779 -1.012) 2.852 24.488 ( -1.683 1.386 0.825) 2.331 24.607 ( -0.362 2.597 -0.822) 2.748 24.801 ( 0.756 1.738 3.701) 4.158 25.032 ( -5.827 6.148 -6.295) 10.554 25.947 ( -0.656 -3.085 -0.127) 3.157 26.173 ( 4.312 0.716 0.015) 4.371 26.298 ( 0.454 2.031 9.499) 9.724 26.674 ( 2.407 -0.101 -3.881) 4.568 27.108 ( -0.911 -2.299 1.497) 2.891 27.136 ( -1.631 0.059 1.534) 2.240 27.280 ( -5.558 -2.199 -2.608) 6.521 27.432 ( 5.427 0.275 -5.654) 7.842 28.061 ( 2.772 -9.464 3.393) 10.429 28.088 ( -3.882 -7.221 -1.030) 8.263 28.350 ( 1.261 -7.092 -0.995) 7.272 28.419 ( -1.549 -12.544 -2.121) 12.816 28.548 ( -0.258 2.359 3.407) 4.152 28.793 ( 2.596 0.343 0.212) 2.627 29.326 ( -3.840 8.293 1.781) 9.311 29.717 ( 5.817 5.922 -3.097) 8.860 ======================= Grid point 165 (75/141) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.345 -12.528 1.798) 12.728 1.464 ( 1.845 -0.737 -1.493) 2.485 1.942 ( -13.183 -10.841 -2.364) 17.231 2.120 ( -10.615 -6.117 -5.039) 13.247 2.207 ( -3.833 -9.078 0.302) 9.859 2.328 ( -6.130 -0.853 3.423) 7.073 2.360 ( -7.131 -3.489 -3.937) 8.862 2.504 ( 0.019 -0.015 -3.599) 3.599 2.666 ( -0.196 1.263 -4.264) 4.451 2.777 ( 8.235 -3.856 1.222) 9.175 2.870 ( -0.952 -2.656 -2.829) 3.996 3.085 ( 5.841 -1.977 10.660) 12.315 3.151 ( 6.714 -5.421 -2.996) 9.135 3.227 ( 3.841 0.233 2.576) 4.630 3.353 ( -5.238 3.682 2.423) 6.846 3.397 ( 0.641 -1.594 -0.739) 1.870 3.477 ( -6.037 -2.650 4.416) 7.936 3.696 ( 2.728 -7.366 -4.215) 8.915 3.858 ( -2.926 -1.744 0.446) 3.436 4.000 ( 0.302 2.711 -2.185) 3.495 4.063 ( -2.117 -0.508 1.869) 2.869 4.264 ( -0.895 5.689 3.241) 6.608 4.301 ( -1.474 6.086 -2.165) 6.626 4.491 ( -2.278 8.986 -2.940) 9.726 4.527 ( 6.006 9.021 1.941) 11.010 4.657 ( -0.384 4.919 -1.374) 5.121 4.723 ( -2.315 -3.443 3.144) 5.206 4.859 ( 4.496 3.668 2.591) 6.354 4.942 ( 3.865 10.042 3.543) 11.328 5.076 ( 3.874 -3.932 1.396) 5.694 5.263 ( -0.811 6.546 -2.862) 7.190 5.396 ( -1.459 0.848 7.529) 7.716 5.583 ( 1.296 0.225 -0.414) 1.379 5.775 ( 1.207 1.552 -1.032) 2.220 5.908 ( 5.106 6.175 -5.332) 9.624 5.967 ( -1.169 2.252 -0.240) 2.549 6.067 ( -10.726 2.098 -14.090) 17.832 6.108 ( 9.878 4.576 5.689) 12.283 6.388 ( -3.813 1.012 0.101) 3.946 6.571 ( -1.929 -1.356 -0.585) 2.429 6.684 ( 1.996 -0.814 2.887) 3.603 7.007 ( 1.918 2.768 0.606) 3.421 7.078 ( -2.191 3.641 0.169) 4.253 7.145 ( 4.838 4.655 -1.900) 6.978 7.278 ( -6.193 2.690 1.204) 6.858 7.406 ( 5.379 -3.054 2.258) 6.584 7.495 ( 0.165 4.968 -1.294) 5.137 7.543 ( -3.765 -0.180 2.474) 4.509 7.731 ( 1.561 9.396 3.581) 10.176 7.955 ( 9.228 -3.047 2.993) 10.168 8.121 ( -3.000 -1.528 -3.321) 4.729 8.296 ( -2.657 6.823 -2.862) 7.861 8.334 ( 5.734 3.769 4.329) 8.113 8.619 ( -4.127 -1.634 -5.864) 7.355 8.816 ( -1.523 4.282 2.372) 5.127 8.916 ( -0.607 2.823 -1.590) 3.296 9.868 ( -3.573 -9.019 -1.168) 9.771 9.995 ( 1.976 -9.443 -0.243) 9.650 10.497 ( 4.759 -3.578 7.544) 9.611 10.618 ( -6.518 -2.112 -5.120) 8.553 11.279 ( -6.255 -8.013 -0.259) 10.168 11.325 ( -0.297 -7.117 0.453) 7.138 11.355 ( -7.302 -5.791 -3.241) 9.867 11.553 ( 7.856 -4.932 3.123) 9.788 11.933 ( 3.985 -1.351 4.227) 5.964 11.969 ( -3.958 2.365 -3.453) 5.760 12.117 ( 2.861 -0.515 0.966) 3.064 12.165 ( -0.143 -1.395 0.113) 1.407 12.249 ( 9.481 -0.647 5.092) 10.781 12.414 ( -8.411 -1.909 -10.137) 13.310 13.047 ( 8.669 -1.419 8.402) 12.156 13.253 ( -8.460 6.135 -6.546) 12.331 13.678 ( 0.189 0.702 0.773) 1.061 13.806 ( 0.672 3.898 -3.296) 5.149 13.973 ( 3.778 -2.262 2.258) 4.948 14.104 ( -2.508 3.834 -5.276) 6.988 14.398 ( 5.958 1.608 5.887) 8.528 14.444 ( -1.143 3.142 0.925) 3.469 14.544 ( -3.970 2.301 -1.145) 4.730 14.756 ( 0.069 4.605 -1.936) 4.996 15.011 ( 9.238 6.730 8.207) 14.070 15.221 ( -8.212 6.361 -10.537) 14.796 16.394 ( -3.654 -1.007 0.482) 3.821 16.470 ( -0.665 -0.444 1.085) 1.348 20.171 ( 2.297 -3.647 2.229) 4.852 20.197 ( -1.231 -2.741 -1.956) 3.585 20.331 ( -2.758 -0.553 -1.449) 3.164 20.361 ( 3.360 -0.160 1.515) 3.690 24.450 ( -1.721 1.232 -0.109) 2.119 24.554 ( -0.042 2.479 -0.101) 2.482 24.773 ( 0.395 1.521 2.863) 3.266 24.884 ( -5.756 4.741 -4.588) 8.755 26.018 ( 0.142 -4.101 1.218) 4.280 26.209 ( 4.086 -1.399 2.253) 4.871 26.271 ( -0.598 0.846 5.233) 5.334 26.694 ( 3.338 0.106 -2.987) 4.480 27.080 ( -2.781 1.917 -0.237) 3.386 27.158 ( -4.389 -0.421 -0.868) 4.494 27.249 ( -0.455 0.323 0.488) 0.742 27.500 ( 4.535 -3.226 -5.936) 8.137 28.184 ( -2.793 -4.528 -0.980) 5.410 28.247 ( 3.466 -4.911 2.065) 6.356 28.415 ( -2.209 -0.901 0.808) 2.518 28.452 ( -1.004 0.340 5.734) 5.831 28.692 ( -4.576 -9.828 -8.090) 13.527 28.831 ( 4.504 -2.133 2.172) 5.436 29.201 ( -2.210 1.410 3.594) 4.448 29.658 ( 7.380 4.344 -2.822) 9.016 ======================= Grid point 166 (76/141) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.002 -3.370 -4.167) 5.721 1.572 ( 0.876 -4.061 -0.565) 4.193 1.986 ( -8.678 -1.817 -3.687) 9.602 2.089 ( -6.047 -0.336 -0.488) 6.076 2.300 ( -4.593 -1.407 2.617) 5.470 2.355 ( -3.536 -4.479 -0.629) 5.741 2.473 ( -5.107 -9.287 -2.424) 10.872 2.565 ( 0.934 -4.953 -8.559) 9.933 2.659 ( 4.226 -1.119 1.363) 4.580 2.850 ( 5.456 -0.348 -0.450) 5.485 2.955 ( 3.397 -0.258 -2.038) 3.970 3.090 ( -1.893 -0.553 6.154) 6.462 3.256 ( 9.079 0.968 9.056) 12.860 3.270 ( -6.955 -1.456 0.994) 7.175 3.321 ( -0.090 -1.425 1.219) 1.878 3.376 ( 0.005 -0.830 -0.568) 1.006 3.572 ( -3.312 -9.769 -2.138) 10.534 3.811 ( -2.483 -3.628 -9.869) 10.804 3.873 ( -0.217 0.133 1.287) 1.312 3.958 ( 0.736 4.121 -3.641) 5.548 4.028 ( 3.013 3.069 0.508) 4.331 4.102 ( -1.957 6.911 -1.696) 7.380 4.174 ( 3.146 6.031 1.448) 6.955 4.271 ( -1.460 9.406 -0.085) 9.519 4.448 ( 3.710 3.371 1.752) 5.310 4.547 ( 0.094 6.690 0.186) 6.693 4.688 ( 0.662 3.227 3.021) 4.470 4.815 ( 2.881 1.631 4.138) 5.299 4.899 ( 1.333 -1.202 7.902) 8.103 5.186 ( 0.823 0.847 -2.228) 2.521 5.195 ( 0.046 -3.750 4.416) 5.793 5.415 ( 0.452 -1.477 5.650) 5.858 5.575 ( 0.116 1.104 0.611) 1.267 5.704 ( -5.380 5.854 -6.082) 10.010 5.758 ( -5.543 4.803 -3.490) 8.122 5.811 ( -2.675 5.126 -0.714) 5.826 6.036 ( 1.082 1.015 -7.916) 8.054 6.139 ( 13.146 0.602 5.993) 14.460 6.389 ( -1.612 -1.879 1.617) 2.957 6.593 ( -1.750 -1.441 3.082) 3.826 6.726 ( 4.172 -1.307 -3.206) 5.421 6.955 ( -2.995 1.287 1.050) 3.425 7.017 ( 0.635 1.739 0.072) 1.852 7.105 ( 2.261 3.199 -4.735) 6.145 7.192 ( -2.989 1.487 1.144) 3.530 7.325 ( -2.945 8.899 1.594) 9.508 7.449 ( -2.789 0.494 -1.304) 3.119 7.577 ( -2.784 3.046 0.622) 4.173 7.651 ( 2.586 -7.295 3.399) 8.453 7.989 ( 2.695 6.981 1.830) 7.704 8.151 ( 7.606 -4.896 -2.997) 9.529 8.186 ( 0.021 2.645 -3.262) 4.199 8.426 ( 5.054 -4.376 7.046) 9.713 8.618 ( -4.396 -2.261 -6.295) 8.005 8.698 ( -5.278 6.477 -0.878) 8.402 8.847 ( 0.632 3.220 1.265) 3.517 10.007 ( -1.691 -6.322 -0.953) 6.614 10.163 ( 1.747 -6.157 -0.267) 6.406 10.573 ( -4.072 -0.875 -1.723) 4.508 10.629 ( 3.372 -2.814 3.745) 5.772 11.380 ( -2.317 -3.359 1.216) 4.258 11.391 ( -6.346 -3.542 -4.170) 8.379 11.444 ( -3.054 -5.565 -0.662) 6.383 11.674 ( 8.637 -1.866 4.573) 9.949 11.851 ( -10.410 2.824 -7.107) 12.917 11.966 ( 6.862 1.123 4.877) 8.493 12.130 ( -0.662 -0.357 -0.963) 1.222 12.180 ( 0.899 0.357 -0.520) 1.098 12.263 ( -2.883 2.246 -1.134) 3.826 12.471 ( 5.550 -5.152 1.963) 7.823 13.110 ( 3.816 0.648 4.821) 6.183 13.152 ( -0.385 0.932 -0.990) 1.413 13.672 ( -0.391 -0.060 0.420) 0.577 13.737 ( 0.655 3.254 -1.298) 3.564 14.025 ( -4.953 0.168 -5.679) 7.537 14.061 ( 5.346 -1.911 3.176) 6.505 14.368 ( -5.703 2.752 -5.114) 8.140 14.414 ( 4.290 0.338 3.834) 5.763 14.518 ( 0.299 -1.156 2.683) 2.937 14.673 ( -0.032 3.958 -1.106) 4.110 14.940 ( 5.878 5.838 6.172) 10.330 15.078 ( -4.500 2.945 -7.975) 9.619 16.389 ( -2.616 -0.654 0.299) 2.713 16.461 ( -0.469 0.750 0.566) 1.050 20.221 ( -0.667 -0.669 -1.162) 1.497 20.228 ( 1.387 -0.971 1.098) 2.018 20.343 ( -1.732 -1.761 -1.210) 2.751 20.387 ( 2.128 -0.512 1.295) 2.543 24.427 ( -0.958 0.201 -1.050) 1.435 24.513 ( 0.245 1.809 0.378) 1.864 24.748 ( -0.918 1.285 0.761) 1.753 24.787 ( -2.442 1.916 -1.788) 3.583 26.098 ( 0.955 -3.254 3.154) 4.631 26.214 ( -2.103 1.316 6.703) 7.147 26.317 ( 4.206 -3.520 -2.131) 5.884 26.692 ( 1.695 1.701 -3.032) 3.868 27.024 ( -3.093 1.777 -0.818) 3.660 27.094 ( -1.799 2.574 -1.126) 3.336 27.285 ( 0.351 -2.081 2.274) 3.102 27.580 ( 2.484 -2.749 -6.362) 7.362 28.225 ( -0.538 -0.867 -0.556) 1.162 28.261 ( 0.309 1.956 -0.220) 1.993 28.392 ( -5.199 -0.441 -1.159) 5.345 28.515 ( 5.485 -1.495 8.315) 10.073 28.761 ( -5.769 -3.111 -2.308) 6.949 28.913 ( 3.028 -2.550 -1.487) 4.229 29.259 ( -2.790 -7.221 1.700) 7.926 29.611 ( 6.537 5.155 -1.412) 8.444 ======================= Grid point 173 (77/141) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.160 0.000 12.938) 12.939 1.230 ( -17.230 0.000 4.145) 17.722 1.642 ( 1.691 -0.000 -0.599) 1.794 1.691 ( -21.707 0.000 -14.073) 25.870 1.926 ( 6.386 -0.000 -2.267) 6.776 2.101 ( 0.727 -0.000 5.619) 5.666 2.293 ( 14.156 -0.000 -9.423) 17.006 2.422 ( -0.755 0.000 11.789) 11.813 2.596 ( -7.240 0.000 1.374) 7.369 2.747 ( 0.989 -0.000 -9.021) 9.076 2.811 ( -8.396 0.000 -5.068) 9.807 2.874 ( 7.092 -0.000 -5.455) 8.947 2.935 ( -15.122 0.000 2.554) 15.336 3.242 ( 2.137 -0.000 7.083) 7.398 3.460 ( -7.458 0.000 -6.974) 10.211 3.495 ( -1.062 0.000 1.126) 1.548 3.586 ( -3.799 0.000 4.150) 5.627 3.690 ( 4.493 -0.000 9.287) 10.317 3.877 ( -2.721 0.000 10.209) 10.565 3.899 ( -0.698 0.000 10.256) 10.280 4.065 ( 1.246 -0.000 -7.659) 7.760 4.131 ( -1.268 0.000 4.935) 5.095 4.230 ( -1.209 0.000 -4.540) 4.698 4.407 ( -2.315 0.000 -5.269) 5.755 4.645 ( 13.391 -0.000 5.612) 14.519 4.754 ( 5.763 -0.000 7.166) 9.196 4.991 ( 6.387 -0.000 -1.660) 6.599 5.060 ( 2.080 -0.000 -12.380) 12.553 5.240 ( -5.371 0.000 -5.931) 8.001 5.335 ( -6.444 0.000 -0.401) 6.456 5.412 ( -0.799 0.000 -0.313) 0.858 5.545 ( 7.629 -0.000 -3.301) 8.312 5.612 ( 2.074 -0.000 5.764) 6.126 5.770 ( 1.144 -0.000 -4.563) 4.704 5.832 ( 5.973 -0.000 2.683) 6.547 5.993 ( -2.524 0.000 -14.754) 14.969 6.187 ( 1.282 -0.000 -2.154) 2.507 6.299 ( -5.468 0.000 -9.899) 11.309 6.486 ( 8.442 -0.000 0.923) 8.492 6.698 ( -3.334 0.000 9.772) 10.326 6.898 ( 1.797 -0.000 -0.124) 1.801 6.965 ( 11.617 -0.000 19.007) 22.276 7.188 ( 2.567 -0.000 7.173) 7.618 7.245 ( -3.449 0.000 0.030) 3.449 7.330 ( 5.474 -0.000 1.047) 5.574 7.479 ( -0.049 0.000 1.464) 1.465 7.510 ( 4.307 -0.000 6.127) 7.490 7.706 ( -8.734 0.000 -8.563) 12.231 7.782 ( 0.629 -0.000 0.255) 0.679 7.900 ( -3.117 0.000 -10.566) 11.016 8.454 ( -2.571 0.000 2.005) 3.261 8.575 ( 4.025 -0.000 4.140) 5.775 8.682 ( 3.460 -0.000 1.440) 3.748 8.785 ( -6.176 0.000 -6.781) 9.172 8.914 ( -5.192 0.000 2.652) 5.830 9.025 ( -3.694 0.000 -1.618) 4.032 9.535 ( 7.764 -0.000 7.511) 10.802 9.573 ( -9.282 0.000 -1.686) 9.434 10.285 ( 2.565 -0.000 4.375) 5.071 10.458 ( -3.939 0.000 -4.077) 5.669 10.876 ( -10.289 0.000 -1.753) 10.438 11.104 ( 1.222 -0.000 2.276) 2.583 11.146 ( 2.499 -0.000 -0.741) 2.607 11.190 ( -2.984 0.000 -3.463) 4.572 11.598 ( 11.361 -0.000 13.829) 17.897 12.038 ( 5.442 -0.000 2.668) 6.061 12.064 ( 0.248 -0.000 -3.227) 3.236 12.155 ( -3.715 0.000 -2.187) 4.311 12.175 ( 7.500 -0.000 3.979) 8.490 12.281 ( -7.101 0.000 -12.512) 14.387 12.931 ( 11.443 -0.000 11.050) 15.907 13.674 ( -1.527 0.000 -16.169) 16.241 13.709 ( -0.261 0.000 0.081) 0.274 13.975 ( -1.546 0.000 -8.548) 8.687 14.253 ( -11.003 0.000 -14.830) 18.466 14.260 ( 3.281 -0.000 1.714) 3.702 14.468 ( 4.818 -0.000 4.281) 6.445 14.631 ( -2.286 0.000 -5.172) 5.655 14.731 ( 0.648 -0.000 8.017) 8.043 14.964 ( -6.176 0.000 -3.984) 7.349 15.337 ( 4.765 -0.000 5.996) 7.659 15.519 ( -5.134 0.000 -3.376) 6.144 16.291 ( -0.829 0.000 2.657) 2.783 16.356 ( -2.556 0.000 1.251) 2.846 19.943 ( -2.685 0.000 -0.498) 2.730 19.966 ( 0.980 -0.000 0.558) 1.127 20.377 ( 2.796 -0.000 1.931) 3.398 20.386 ( -2.898 0.000 -0.427) 2.930 24.520 ( -1.408 0.000 1.293) 1.912 24.661 ( -0.750 0.000 -1.510) 1.685 24.843 ( 0.329 -0.000 4.553) 4.565 25.194 ( -4.950 0.000 -9.334) 10.565 25.886 ( -0.229 0.000 -1.504) 1.522 26.181 ( 3.014 -0.000 -1.760) 3.490 26.516 ( 9.466 -0.000 12.993) 16.076 26.686 ( -0.110 0.000 -3.986) 3.987 27.032 ( 0.593 -0.000 -0.190) 0.623 27.035 ( -1.145 0.000 -0.264) 1.175 27.212 ( 2.019 -0.000 5.310) 5.681 27.441 ( -4.047 0.000 -7.177) 8.239 27.836 ( -2.969 0.000 -1.887) 3.518 27.876 ( 0.510 -0.000 -0.438) 0.673 28.068 ( 0.750 -0.000 0.331) 0.820 28.104 ( 3.267 -0.000 -0.167) 3.271 28.660 ( -2.104 0.000 3.654) 4.217 28.813 ( 1.302 -0.000 2.249) 2.598 29.546 ( -7.090 0.000 -1.720) 7.296 29.902 ( 5.315 -0.000 -3.050) 6.128 ======================= Grid point 174 (78/141) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -10.684 0.304 8.822) 13.859 1.391 ( -14.517 -13.894 5.389) 20.805 1.561 ( -7.010 0.959 -5.914) 9.222 1.664 ( -4.274 -4.532 -3.839) 7.317 1.998 ( 0.793 -4.302 -1.519) 4.630 2.172 ( -5.171 -6.065 -1.524) 8.115 2.325 ( 3.983 0.868 -3.147) 5.150 2.520 ( 0.644 -3.088 1.331) 3.424 2.600 ( -0.873 -5.983 4.647) 7.626 2.693 ( -7.596 1.159 -7.861) 10.992 2.770 ( -4.795 -0.462 0.381) 4.833 2.927 ( 8.265 -3.482 2.416) 9.288 3.010 ( -0.780 -8.221 -2.137) 8.530 3.204 ( -5.550 4.270 1.956) 7.271 3.374 ( -7.812 3.240 -4.375) 9.522 3.474 ( 1.840 0.619 3.034) 3.602 3.548 ( 1.975 2.816 3.104) 4.634 3.643 ( -4.507 3.617 5.792) 8.182 3.842 ( -0.395 1.622 11.735) 11.853 3.924 ( -1.009 -2.337 6.352) 6.843 4.072 ( -0.674 0.271 -6.142) 6.184 4.190 ( -0.159 -4.688 2.155) 5.162 4.264 ( -2.668 -4.708 -2.020) 5.776 4.417 ( -2.500 -2.595 -4.256) 5.577 4.709 ( 11.284 1.381 4.580) 12.256 4.811 ( 3.740 -0.690 2.595) 4.605 4.989 ( 9.038 5.107 -3.113) 10.838 5.061 ( 2.168 0.951 -9.925) 10.203 5.138 ( -4.991 6.324 -1.721) 8.238 5.227 ( -2.250 7.124 1.185) 7.565 5.406 ( -4.873 -1.102 -0.050) 4.996 5.528 ( 2.777 2.825 -3.593) 5.348 5.666 ( 4.870 -0.574 5.809) 7.602 5.802 ( 4.769 4.822 4.727) 8.267 5.852 ( 4.384 -3.924 -6.681) 8.902 6.003 ( -1.696 -2.738 -11.988) 12.413 6.185 ( 3.008 1.293 -3.933) 5.118 6.265 ( -0.056 1.327 -5.900) 6.047 6.482 ( 5.493 4.630 0.332) 7.192 6.679 ( -1.957 0.270 8.671) 8.893 6.789 ( -2.216 9.969 0.480) 10.224 7.063 ( 8.541 -1.395 12.780) 15.435 7.162 ( -2.981 -0.569 2.841) 4.157 7.263 ( 2.372 7.145 -1.934) 7.772 7.350 ( 4.998 -7.075 2.880) 9.128 7.383 ( 3.262 5.683 4.036) 7.696 7.546 ( -1.660 2.017 -1.213) 2.881 7.688 ( 1.062 3.104 -2.498) 4.123 7.829 ( -0.122 -7.098 1.114) 7.186 7.923 ( -1.039 -2.117 -4.106) 4.735 8.275 ( -1.281 12.889 2.766) 13.245 8.516 ( 3.856 4.530 -0.348) 5.959 8.664 ( -4.152 7.143 0.061) 8.262 8.749 ( -2.402 2.796 -2.995) 4.749 8.907 ( -2.123 -2.266 1.798) 3.589 8.947 ( -3.576 3.338 0.191) 4.895 9.556 ( -8.524 -4.728 -1.942) 9.939 9.646 ( 4.847 -6.178 4.586) 9.093 10.342 ( 2.520 -3.700 5.487) 7.082 10.476 ( -4.429 -4.050 -4.072) 7.253 10.903 ( -9.325 -8.031 -1.136) 12.359 11.127 ( 1.038 -2.277 2.510) 3.544 11.172 ( -5.503 -1.967 -3.203) 6.664 11.262 ( 4.270 -7.717 -0.105) 8.820 11.732 ( 10.985 -5.471 12.220) 17.318 12.022 ( 0.817 1.697 -1.428) 2.364 12.100 ( 1.607 -1.563 -1.792) 2.870 12.123 ( -6.410 -0.056 -3.212) 7.170 12.192 ( 0.666 0.195 -3.080) 3.157 12.322 ( 2.600 -4.721 -5.657) 7.814 13.019 ( 15.276 0.123 13.125) 20.141 13.609 ( -6.337 5.970 -22.030) 23.688 13.706 ( -0.664 0.264 -0.593) 0.929 13.926 ( -1.898 3.350 -8.982) 9.772 14.043 ( -3.132 7.656 3.350) 8.925 14.302 ( -0.010 2.227 -4.723) 5.222 14.461 ( 4.289 2.292 5.190) 7.112 14.610 ( -3.009 1.482 -4.488) 5.603 14.656 ( -2.185 5.275 7.397) 9.344 14.922 ( -3.578 1.555 -4.219) 5.746 15.301 ( 7.663 6.392 7.296) 12.362 15.444 ( -7.529 3.862 -6.683) 10.783 16.312 ( -3.197 -2.425 1.633) 4.332 16.380 ( -1.488 -3.323 1.545) 3.955 19.979 ( -0.177 -4.644 0.891) 4.732 20.020 ( -0.138 -4.545 -0.869) 4.629 20.356 ( -3.204 1.048 -0.862) 3.479 20.386 ( 3.143 0.821 1.837) 3.732 24.502 ( -1.563 0.942 1.034) 2.098 24.642 ( -1.008 1.347 -1.139) 2.032 24.832 ( -0.559 1.133 4.319) 4.500 25.101 ( -7.210 5.019 -9.620) 13.027 25.899 ( -0.066 -1.493 -1.275) 1.964 26.201 ( 2.297 -0.348 -0.949) 2.510 26.428 ( 5.076 9.845 14.512) 18.257 26.688 ( 2.958 0.071 -5.351) 6.115 27.049 ( -1.378 -2.130 0.290) 2.553 27.122 ( 0.658 -4.015 1.833) 4.463 27.202 ( -3.418 0.088 1.216) 3.629 27.449 ( 2.151 -1.665 -6.958) 7.471 27.898 ( -0.603 -7.513 0.673) 7.567 27.937 ( -1.433 -5.330 -0.705) 5.564 28.162 ( 1.074 -8.520 -0.056) 8.588 28.234 ( 5.545 -9.282 -1.265) 10.886 28.614 ( -1.766 3.252 3.646) 5.195 28.816 ( 1.351 0.462 2.085) 2.527 29.438 ( -7.185 5.817 -2.089) 9.477 29.869 ( 5.181 5.532 -2.604) 8.014 ======================= Grid point 175 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -2.574 -13.772 5.801) 15.164 1.505 ( -0.579 2.007 -3.191) 3.814 1.571 ( -15.964 -15.507 -0.631) 22.265 1.855 ( -1.249 -13.474 3.538) 13.986 2.060 ( -8.532 -4.016 -5.768) 11.054 2.241 ( -4.704 -4.491 -0.440) 6.518 2.292 ( -8.755 1.553 -3.099) 9.416 2.519 ( 1.193 1.223 -0.506) 1.782 2.655 ( -2.053 -0.976 -3.797) 4.426 2.758 ( 5.639 -2.774 -0.196) 6.288 2.793 ( -3.842 -6.499 1.418) 7.682 3.079 ( 8.772 -4.208 9.220) 13.404 3.088 ( -8.405 -1.928 -0.217) 8.626 3.181 ( 3.892 -5.612 -3.711) 7.772 3.280 ( -7.304 0.329 -3.696) 8.193 3.460 ( 3.608 3.767 3.549) 6.309 3.504 ( -1.618 4.045 7.495) 8.669 3.587 ( -1.010 -3.347 -3.467) 4.923 3.838 ( 0.365 -0.136 5.925) 5.937 3.978 ( -3.651 -4.245 2.832) 6.274 4.044 ( 0.010 1.532 -1.179) 1.934 4.275 ( -0.558 -3.516 5.535) 6.581 4.329 ( -2.495 -1.337 -4.908) 5.666 4.471 ( -4.846 -4.752 0.020) 6.787 4.705 ( -3.134 7.711 -6.641) 10.648 4.746 ( 9.803 3.397 2.274) 10.621 4.880 ( 6.156 12.449 -2.770) 14.162 4.996 ( 2.049 7.287 1.606) 7.738 5.036 ( 1.706 -0.275 1.698) 2.423 5.125 ( 4.392 3.815 -1.368) 5.976 5.389 ( -3.367 1.110 3.182) 4.764 5.449 ( -2.501 6.713 -0.957) 7.228 5.641 ( 5.518 4.936 1.305) 7.518 5.762 ( 1.151 -0.540 4.225) 4.412 5.930 ( -0.219 -2.556 -10.641) 10.946 6.033 ( 0.328 0.914 -5.416) 5.503 6.123 ( 0.354 7.458 -7.384) 10.502 6.250 ( 9.028 2.520 1.388) 9.475 6.406 ( -2.867 3.157 0.970) 4.373 6.594 ( -2.078 5.505 0.738) 5.931 6.680 ( 0.909 -0.296 4.886) 4.978 7.113 ( 6.788 2.866 8.385) 11.162 7.132 ( -0.982 3.779 -1.824) 4.309 7.173 ( -6.389 -1.713 -3.879) 7.669 7.306 ( 5.150 5.394 3.839) 8.388 7.478 ( 3.374 4.006 0.793) 5.298 7.511 ( 4.371 -4.377 2.822) 6.799 7.610 ( 2.142 5.895 -0.366) 6.283 7.891 ( -3.489 2.918 -1.238) 4.714 7.951 ( 3.162 -1.461 3.651) 5.046 8.074 ( -0.290 4.073 1.244) 4.268 8.437 ( -6.629 8.614 -0.104) 10.870 8.468 ( 4.334 5.930 -3.280) 8.044 8.636 ( 1.710 4.928 -0.063) 5.216 8.871 ( -3.780 2.773 0.058) 4.688 8.935 ( -1.533 -0.437 -1.806) 2.409 9.660 ( -4.714 -9.377 -1.019) 10.545 9.818 ( 1.838 -9.018 1.539) 9.331 10.445 ( 2.545 -4.558 6.066) 8.003 10.526 ( -4.764 -3.565 -3.723) 7.019 11.036 ( -8.319 -10.265 -0.772) 13.235 11.198 ( -6.987 -4.894 -3.509) 9.224 11.216 ( 1.715 -5.479 2.750) 6.366 11.465 ( 6.248 -8.812 1.991) 10.984 11.892 ( 3.395 -3.984 4.775) 7.086 11.983 ( -2.993 1.859 -3.958) 5.299 12.118 ( -1.940 -2.175 0.373) 2.938 12.132 ( 2.406 -1.145 -1.461) 3.039 12.218 ( -0.850 -4.112 -3.884) 5.720 12.399 ( 4.202 0.264 -2.789) 5.050 13.113 ( 15.598 0.549 13.113) 20.385 13.346 ( -11.716 9.925 -12.662) 19.902 13.691 ( -0.719 0.713 -0.142) 1.023 13.872 ( 0.552 2.200 -5.736) 6.169 13.971 ( 1.962 0.719 4.154) 4.651 14.204 ( 0.877 6.383 -3.872) 7.517 14.453 ( 2.661 1.276 4.368) 5.271 14.514 ( -2.871 4.580 -0.260) 5.412 14.577 ( -1.993 2.940 1.950) 4.052 14.844 ( -1.083 4.242 -3.782) 5.785 15.219 ( 9.676 7.554 8.529) 14.948 15.284 ( -9.414 6.175 -10.536) 15.420 16.332 ( -5.425 -2.230 0.441) 5.882 16.437 ( -0.967 -2.526 1.533) 3.109 20.094 ( 2.103 -5.680 1.836) 6.329 20.115 ( -0.159 -4.789 -1.767) 5.107 20.315 ( -3.340 0.886 -1.516) 3.773 20.390 ( 3.357 0.699 1.586) 3.778 24.468 ( -1.594 1.482 0.445) 2.222 24.599 ( -0.704 2.237 -0.363) 2.373 24.801 ( -1.205 1.474 3.411) 3.907 24.936 ( -8.890 5.422 -6.998) 12.546 25.944 ( 0.164 -3.202 -0.199) 3.212 26.226 ( 3.897 -0.739 -0.689) 4.026 26.311 ( 0.449 4.380 12.637) 13.382 26.715 ( 4.908 -0.284 -4.524) 6.681 27.082 ( -3.364 -1.358 -0.186) 3.633 27.112 ( -2.736 0.671 1.312) 3.108 27.228 ( -2.747 -2.272 0.364) 3.584 27.493 ( 5.508 -0.754 -6.921) 8.877 28.040 ( -3.405 -6.851 -0.900) 7.704 28.100 ( 2.599 -11.178 3.547) 12.012 28.346 ( -1.014 -7.118 -3.083) 7.823 28.421 ( 1.484 -5.338 -0.042) 5.541 28.550 ( 0.156 0.608 3.023) 3.087 28.829 ( 2.876 -0.750 2.719) 4.028 29.270 ( -5.119 6.393 -0.994) 8.250 29.794 ( 7.086 5.093 -3.564) 9.426 ======================= Grid point 176 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -2.126 -11.308 2.708) 11.820 1.487 ( 2.392 -1.053 -3.145) 4.089 1.804 ( -8.384 -13.353 0.357) 15.771 1.999 ( -7.210 -4.277 -5.982) 10.298 2.165 ( -4.147 -10.619 1.069) 11.450 2.194 ( -11.761 -1.394 1.323) 11.917 2.295 ( -7.595 -4.155 0.609) 8.679 2.516 ( 1.678 -0.422 -5.695) 5.952 2.662 ( 1.691 -1.151 0.133) 2.049 2.874 ( 2.022 -2.238 -1.394) 3.322 2.880 ( 7.664 -5.201 1.656) 9.409 3.133 ( -6.268 -1.167 1.900) 6.653 3.144 ( -0.287 -1.953 3.498) 4.016 3.258 ( 4.331 -4.058 -4.726) 7.587 3.324 ( -8.321 -3.701 0.961) 9.158 3.396 ( -2.276 3.165 3.243) 5.071 3.435 ( 6.970 0.004 6.609) 9.605 3.718 ( 0.616 -6.223 -8.031) 10.179 3.845 ( 0.168 -1.187 -1.034) 1.583 4.001 ( -0.390 -0.757 1.509) 1.733 4.050 ( 0.450 0.235 -0.860) 0.999 4.237 ( -3.728 7.572 -3.000) 8.957 4.297 ( -0.192 2.143 6.265) 6.624 4.436 ( -5.063 2.005 -0.497) 5.468 4.593 ( 1.517 8.390 -2.039) 8.766 4.634 ( 2.143 8.342 -1.223) 8.700 4.767 ( 6.326 3.399 5.695) 9.165 4.889 ( 0.654 3.438 -0.249) 3.508 5.024 ( 7.841 7.898 5.100) 12.242 5.126 ( 4.406 -3.473 1.386) 5.779 5.250 ( -0.874 6.972 -4.840) 8.532 5.377 ( -2.563 -0.489 7.013) 7.483 5.602 ( 1.535 2.255 1.630) 3.178 5.782 ( 0.117 1.591 1.376) 2.107 5.864 ( -13.241 7.471 -9.588) 17.974 5.956 ( 3.119 9.347 -6.170) 11.626 5.968 ( -0.754 -0.837 -7.335) 7.421 6.280 ( 12.812 1.911 6.890) 14.672 6.354 ( -1.990 -0.218 2.739) 3.392 6.555 ( -0.450 -0.570 -0.108) 0.734 6.710 ( 1.787 -1.701 3.743) 4.483 7.028 ( -0.366 5.981 4.950) 7.773 7.058 ( -0.718 2.510 -3.675) 4.508 7.157 ( -3.636 3.080 -6.537) 8.090 7.259 ( 5.514 3.225 4.342) 7.724 7.466 ( -0.596 4.775 -1.719) 5.110 7.496 ( -1.629 6.128 1.700) 6.565 7.518 ( 5.735 -2.111 4.230) 7.433 7.726 ( -2.301 8.917 0.398) 9.217 8.050 ( 5.471 -6.403 -0.366) 8.430 8.081 ( -2.615 -0.712 -2.168) 3.471 8.264 ( -2.651 5.028 -1.059) 5.782 8.425 ( 7.785 0.423 6.537) 10.174 8.584 ( -0.927 2.086 -3.544) 4.215 8.778 ( -3.910 4.406 -1.881) 6.183 8.899 ( -2.280 2.524 -1.902) 3.897 9.834 ( -1.842 -9.848 -0.857) 10.055 10.009 ( 0.281 -9.464 0.260) 9.472 10.520 ( -3.791 -2.101 -2.270) 4.893 10.584 ( 3.294 -4.209 4.927) 7.269 11.186 ( -6.880 -9.709 -0.684) 11.919 11.259 ( -7.692 -5.696 -3.621) 10.233 11.342 ( 0.916 -5.720 2.108) 6.165 11.660 ( 9.006 -5.946 4.492) 11.689 11.860 ( -8.146 3.569 -5.880) 10.661 11.976 ( -0.966 -1.685 -1.259) 2.315 12.129 ( 0.314 0.055 -0.152) 0.354 12.163 ( -0.797 -0.539 -3.626) 3.751 12.348 ( -0.527 3.960 -1.108) 4.146 12.374 ( 7.314 -7.174 5.429) 11.595 13.163 ( -5.547 3.371 -4.499) 7.898 13.192 ( 13.416 1.228 11.230) 17.539 13.672 ( -1.262 0.520 -0.324) 1.403 13.813 ( 0.677 3.746 -3.072) 4.892 14.001 ( 0.990 -1.107 -0.799) 1.687 14.102 ( 2.451 3.717 -1.264) 4.629 14.402 ( -5.925 4.462 -4.791) 8.830 14.441 ( 0.374 1.011 2.354) 2.589 14.532 ( 2.482 1.133 5.759) 6.372 14.758 ( 1.148 4.355 -2.627) 5.214 15.098 ( -4.838 6.279 -4.817) 9.276 15.139 ( 4.664 6.473 1.908) 8.204 16.340 ( -4.931 -1.973 0.059) 5.311 16.460 ( -1.181 -0.522 0.967) 1.613 20.186 ( -0.266 -2.804 -2.172) 3.557 20.205 ( 2.785 -3.043 2.868) 5.024 20.292 ( -3.143 -1.206 -2.119) 3.978 20.400 ( 2.674 0.292 1.232) 2.959 24.434 ( -0.804 1.043 -0.444) 1.389 24.554 ( 0.012 2.148 0.249) 2.162 24.765 ( -2.649 1.452 0.992) 3.180 24.806 ( -5.707 2.610 -2.998) 6.955 26.023 ( 0.442 -4.379 1.325) 4.596 26.248 ( -0.040 2.682 9.896) 10.253 26.289 ( 4.669 -2.630 -1.888) 5.682 26.733 ( 3.175 1.252 -2.943) 4.507 27.038 ( -3.736 1.684 -0.878) 4.191 27.109 ( -3.402 0.164 -0.834) 3.506 27.248 ( -0.142 -1.635 2.553) 3.035 27.547 ( 4.078 -2.016 -7.297) 8.599 28.149 ( -2.566 -5.834 -0.692) 6.411 28.289 ( 2.994 -2.130 1.143) 3.847 28.382 ( -2.740 0.725 0.489) 2.876 28.449 ( -0.942 -4.791 3.993) 6.308 28.643 ( -2.120 -5.142 -4.384) 7.082 28.887 ( 4.151 -2.965 4.985) 7.133 29.168 ( -3.357 0.516 0.548) 3.441 29.748 ( 7.547 4.555 -4.085) 9.715 ======================= Grid point 184 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -22.423 0.000 5.872) 23.179 1.111 ( -15.063 0.000 14.811) 21.125 1.388 ( -23.478 0.000 -12.575) 26.633 1.650 ( -0.401 0.000 -2.431) 2.464 2.007 ( 7.276 -0.000 -0.245) 7.280 2.044 ( -10.041 0.000 -1.947) 10.228 2.365 ( -10.836 0.000 7.896) 13.408 2.462 ( 13.690 -0.000 -5.861) 14.892 2.576 ( 3.939 -0.000 3.943) 5.573 2.644 ( -7.239 0.000 -3.284) 7.949 2.712 ( -10.987 0.000 -0.869) 11.021 2.917 ( 6.944 -0.000 -1.888) 7.196 2.974 ( 9.214 -0.000 -0.878) 9.256 3.214 ( -8.555 0.000 2.083) 8.805 3.350 ( -8.628 0.000 -5.558) 10.264 3.455 ( -2.180 0.000 7.463) 7.775 3.602 ( 3.538 -0.000 2.658) 4.425 3.685 ( -5.052 0.000 2.823) 5.787 3.891 ( -2.543 0.000 11.676) 11.950 3.904 ( 6.296 -0.000 9.384) 11.300 4.084 ( 2.505 -0.000 -8.858) 9.205 4.115 ( -2.604 0.000 -3.376) 4.264 4.197 ( -2.491 0.000 2.743) 3.705 4.365 ( -3.983 0.000 -6.503) 7.626 4.785 ( 8.372 -0.000 1.862) 8.576 4.829 ( 5.735 -0.000 5.600) 8.016 5.052 ( -1.739 0.000 -12.772) 12.890 5.098 ( 10.208 -0.000 -3.009) 10.642 5.182 ( -3.616 0.000 -3.805) 5.249 5.264 ( -4.561 0.000 0.160) 4.564 5.388 ( -1.712 0.000 -0.354) 1.748 5.615 ( 3.144 -0.000 -2.065) 3.761 5.678 ( 5.951 -0.000 8.078) 10.033 5.778 ( 1.571 -0.000 -1.993) 2.538 5.900 ( 5.010 -0.000 7.286) 8.842 5.976 ( 2.709 -0.000 -15.452) 15.688 6.211 ( 3.064 -0.000 -1.080) 3.249 6.255 ( -0.605 0.000 -8.002) 8.025 6.612 ( 11.783 -0.000 -2.957) 12.148 6.664 ( -3.340 0.000 10.387) 10.911 6.904 ( -0.546 0.000 -6.018) 6.043 7.104 ( 7.756 -0.000 14.880) 16.780 7.207 ( -2.677 0.000 -0.000) 2.677 7.224 ( 2.392 -0.000 5.471) 5.972 7.419 ( 7.986 -0.000 4.721) 9.277 7.481 ( -0.921 0.000 2.918) 3.060 7.585 ( -7.737 0.000 -11.288) 13.685 7.594 ( 9.438 -0.000 10.542) 14.150 7.807 ( 3.968 -0.000 2.528) 4.705 7.874 ( -0.617 0.000 -4.857) 4.896 8.409 ( -5.056 0.000 1.445) 5.258 8.608 ( 1.093 -0.000 0.764) 1.333 8.713 ( -4.628 0.000 -4.918) 6.753 8.738 ( 5.554 -0.000 2.771) 6.206 8.845 ( -6.172 0.000 2.893) 6.817 8.962 ( -6.406 0.000 -0.382) 6.417 9.445 ( -11.305 0.000 -3.118) 11.727 9.622 ( 5.412 -0.000 6.667) 8.587 10.317 ( 1.884 -0.000 4.818) 5.174 10.400 ( -4.745 0.000 -4.602) 6.610 10.766 ( -7.598 0.000 0.663) 7.627 11.113 ( -0.014 0.000 2.818) 2.818 11.120 ( -4.832 0.000 -2.901) 5.635 11.198 ( 2.853 -0.000 -1.139) 3.072 11.747 ( 11.261 -0.000 12.629) 16.920 12.061 ( -1.942 0.000 -6.684) 6.960 12.067 ( 0.785 -0.000 -0.065) 0.788 12.084 ( -6.818 0.000 -6.094) 9.144 12.193 ( -4.281 0.000 -11.137) 11.932 12.274 ( 5.992 -0.000 2.967) 6.686 13.143 ( 21.222 -0.000 16.012) 26.585 13.630 ( -4.043 0.000 -26.979) 27.280 13.705 ( -0.439 0.000 -0.268) 0.514 13.945 ( -2.416 0.000 -11.093) 11.353 14.117 ( -8.691 0.000 -6.386) 10.785 14.308 ( 4.167 -0.000 1.845) 4.557 14.538 ( 6.004 -0.000 6.305) 8.707 14.601 ( -1.878 0.000 -5.341) 5.661 14.728 ( -2.264 0.000 7.928) 8.245 14.868 ( -8.726 0.000 -5.256) 10.187 15.408 ( 5.784 -0.000 5.697) 8.119 15.440 ( -7.595 0.000 -2.186) 7.903 16.276 ( -1.880 0.000 2.172) 2.873 16.323 ( -3.046 0.000 0.416) 3.074 19.907 ( -2.938 0.000 -0.401) 2.965 19.979 ( 0.972 -0.000 0.848) 1.290 20.348 ( -3.207 0.000 -0.630) 3.268 20.412 ( 2.602 -0.000 1.520) 3.013 24.503 ( -1.388 0.000 0.945) 1.679 24.647 ( -1.305 0.000 -1.194) 1.769 24.839 ( -1.604 0.000 4.353) 4.640 25.108 ( -8.055 0.000 -13.455) 15.682 25.886 ( 0.497 -0.000 -1.611) 1.686 26.203 ( 0.741 -0.000 -0.171) 0.761 26.662 ( 12.971 -0.000 17.927) 22.128 26.707 ( 4.210 -0.000 -6.534) 7.773 27.020 ( -1.246 0.000 -0.545) 1.360 27.037 ( 0.215 -0.000 0.526) 0.568 27.240 ( 1.613 -0.000 6.532) 6.728 27.384 ( -4.603 0.000 -11.178) 12.089 27.796 ( -3.350 0.000 -0.572) 3.399 27.888 ( 1.469 -0.000 0.026) 1.469 28.084 ( 1.903 -0.000 0.628) 2.004 28.154 ( 4.915 -0.000 -0.164) 4.918 28.636 ( -2.429 0.000 2.923) 3.800 28.827 ( 0.616 -0.000 3.668) 3.719 29.447 ( -8.512 0.000 -4.339) 9.554 29.956 ( 3.794 -0.000 -2.917) 4.786 ======================= Grid point 185 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -13.335 -6.597 10.492) 18.205 1.127 ( -25.851 -13.102 -0.054) 28.982 1.466 ( -7.914 -12.584 2.688) 15.107 1.652 ( -1.260 -2.726 -2.222) 3.736 1.969 ( -6.973 0.189 -3.780) 7.934 2.112 ( -1.001 -5.807 -1.436) 6.065 2.283 ( -10.109 1.865 -0.243) 10.282 2.553 ( 2.328 -2.178 3.750) 4.922 2.588 ( 1.644 -1.090 -0.814) 2.134 2.635 ( -4.899 -1.966 0.562) 5.309 2.710 ( -0.666 -3.900 -1.843) 4.365 2.992 ( -2.766 -1.485 -0.611) 3.198 3.057 ( 9.056 -3.249 4.856) 10.777 3.158 ( -0.644 -1.544 -2.975) 3.413 3.275 ( -6.145 2.117 -3.244) 7.265 3.467 ( -4.403 -0.554 4.595) 6.388 3.573 ( -1.064 2.400 -1.427) 2.988 3.622 ( 3.765 4.311 6.201) 8.439 3.855 ( 0.043 1.576 12.319) 12.419 3.923 ( -0.345 -0.005 2.785) 2.806 4.070 ( 1.404 0.827 -6.391) 6.595 4.200 ( 0.010 -6.704 -1.725) 6.922 4.206 ( -4.556 -2.581 1.262) 5.387 4.381 ( -2.667 -3.063 -4.675) 6.193 4.799 ( 2.256 2.816 -3.599) 5.096 4.869 ( 6.221 1.042 0.265) 6.313 5.013 ( -3.789 4.443 -0.819) 5.896 5.077 ( 0.241 1.810 -7.694) 7.908 5.161 ( 8.946 4.111 -1.395) 9.943 5.213 ( -0.197 2.898 -0.034) 2.905 5.356 ( -2.736 0.976 1.496) 3.267 5.539 ( -0.327 4.761 -0.163) 4.775 5.738 ( 4.659 -0.811 5.654) 7.372 5.842 ( 1.943 4.358 4.016) 6.236 5.908 ( 4.632 -1.598 -1.214) 5.048 5.984 ( 1.962 -1.281 -8.164) 8.494 6.238 ( 5.566 1.563 -6.624) 8.792 6.270 ( 1.821 -2.334 -2.676) 3.990 6.557 ( 4.716 10.202 -0.909) 11.276 6.656 ( -3.367 1.077 8.839) 9.520 6.767 ( 0.002 9.124 -2.953) 9.590 7.085 ( -3.579 0.113 -3.017) 4.683 7.158 ( -0.298 0.995 6.505) 6.588 7.315 ( 5.039 8.057 6.498) 11.512 7.407 ( 4.027 -6.566 2.784) 8.191 7.428 ( 3.281 1.391 3.160) 4.763 7.545 ( 2.040 0.935 -0.643) 2.334 7.713 ( 3.306 3.632 -3.210) 5.868 7.820 ( -0.022 -5.417 -2.220) 5.855 7.979 ( 9.085 -1.127 8.520) 12.505 8.249 ( -3.514 10.382 1.592) 11.076 8.551 ( -0.277 5.958 -1.368) 6.120 8.617 ( -0.776 6.564 -0.470) 6.626 8.733 ( 0.601 1.904 -1.027) 2.245 8.882 ( -4.172 -1.574 -0.858) 4.541 8.886 ( -4.307 0.994 0.610) 4.462 9.453 ( -7.788 -7.557 -1.557) 10.963 9.697 ( 2.624 -4.520 3.842) 6.486 10.367 ( 0.427 -3.754 3.616) 5.230 10.422 ( -3.274 -4.222 -2.479) 5.890 10.809 ( -6.119 -7.726 1.545) 9.976 11.098 ( -5.246 -1.452 -3.023) 6.226 11.142 ( 0.288 -2.787 2.326) 3.641 11.308 ( 3.121 -8.806 0.379) 9.351 11.855 ( 5.985 -2.610 7.118) 9.659 12.000 ( -5.688 0.076 -5.898) 8.194 12.043 ( -1.770 -0.268 -3.712) 4.121 12.113 ( 1.374 -2.268 -2.507) 3.649 12.167 ( -1.632 -0.212 -4.906) 5.174 12.377 ( 3.672 -5.039 -1.615) 6.441 13.265 ( 21.914 2.111 16.290) 27.387 13.467 ( -13.733 10.101 -25.387) 30.580 13.697 ( -1.119 0.455 -0.800) 1.449 13.899 ( -1.056 1.416 -7.126) 7.341 14.022 ( -0.604 3.168 4.552) 5.578 14.319 ( 2.520 3.123 -2.539) 4.749 14.507 ( 1.900 3.812 3.906) 5.779 14.576 ( -1.671 3.307 -0.905) 3.814 14.628 ( -2.708 3.255 5.632) 7.046 14.873 ( -2.865 -0.867 -5.117) 5.928 15.336 ( -8.681 4.887 -5.835) 11.545 15.400 ( 6.378 4.690 6.591) 10.301 16.263 ( -4.778 -0.976 0.933) 4.965 16.363 ( -1.768 -4.059 0.904) 4.519 19.977 ( 0.265 -6.933 -1.082) 7.022 20.026 ( 0.846 -3.963 0.489) 4.082 20.317 ( -2.921 1.104 -0.669) 3.194 20.421 ( 2.446 0.505 1.151) 2.750 24.485 ( -1.235 1.046 0.707) 1.766 24.627 ( -1.156 1.149 -0.734) 1.788 24.817 ( -2.383 1.051 3.656) 4.488 24.980 ( -11.516 5.468 -11.633) 17.258 25.902 ( 0.582 -1.348 -1.061) 1.812 26.215 ( 0.156 -1.074 -0.429) 1.167 26.503 ( 4.603 14.099 18.609) 23.796 26.740 ( 6.311 -0.411 -6.421) 9.013 27.029 ( -1.723 -1.597 -0.477) 2.398 27.130 ( -0.685 -1.124 4.308) 4.504 27.145 ( -5.175 -0.259 -0.904) 5.260 27.489 ( 5.071 -4.192 -7.536) 10.004 27.889 ( -0.741 -9.763 0.679) 9.815 27.925 ( -0.413 -3.173 -0.311) 3.215 28.188 ( 3.192 -7.711 1.716) 8.520 28.307 ( 6.524 -9.249 -1.867) 11.471 28.594 ( -1.951 2.593 2.966) 4.396 28.833 ( 0.962 -0.291 3.582) 3.720 29.346 ( -7.187 4.595 -4.386) 9.592 29.923 ( 3.974 4.275 -4.457) 7.344 ======================= Grid point 186 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.382 -16.809 7.329) 18.647 1.349 ( -13.585 -19.738 -0.030) 23.962 1.540 ( 1.050 -0.738 -0.167) 1.294 1.831 ( -3.289 -10.934 0.986) 11.461 1.957 ( -7.014 -5.572 -5.244) 10.380 2.159 ( -11.881 3.319 -2.414) 12.570 2.193 ( -3.250 -3.057 3.003) 5.379 2.543 ( -0.029 2.131 -0.397) 2.168 2.647 ( 3.391 -1.523 -1.863) 4.158 2.732 ( -6.155 -11.147 1.323) 12.802 2.828 ( 4.245 -6.340 3.008) 8.201 2.966 ( -7.488 -3.619 -1.130) 8.393 3.166 ( 4.509 -1.932 7.771) 9.189 3.201 ( -3.617 1.840 -1.865) 4.466 3.268 ( 7.874 -3.478 -4.793) 9.853 3.397 ( -9.629 1.708 1.289) 9.864 3.537 ( 2.484 2.498 4.867) 6.008 3.617 ( 4.696 -2.153 -3.750) 6.384 3.847 ( -0.368 0.784 4.655) 4.735 3.936 ( -3.161 -3.102 1.406) 4.647 4.060 ( 2.081 0.721 0.589) 2.280 4.234 ( -6.556 -2.423 -0.460) 7.005 4.325 ( 2.071 -2.146 -0.410) 3.011 4.417 ( -3.536 -3.380 -2.442) 5.467 4.648 ( -4.205 8.079 -8.325) 12.339 4.861 ( 8.197 2.732 2.888) 9.110 4.904 ( -1.625 7.926 -1.428) 8.216 5.015 ( 2.460 6.822 -0.746) 7.290 5.113 ( 7.625 1.653 0.809) 7.844 5.177 ( 3.520 2.580 1.353) 4.569 5.345 ( -3.167 -1.015 1.875) 3.818 5.420 ( -1.464 8.134 0.067) 8.265 5.702 ( 2.882 5.806 2.802) 7.061 5.782 ( 2.470 1.720 3.488) 4.607 5.899 ( -2.545 2.363 -10.211) 10.786 6.009 ( -3.433 2.391 0.694) 4.241 6.144 ( 2.788 8.142 -8.864) 12.354 6.340 ( 4.475 -1.756 2.266) 5.315 6.389 ( 0.794 4.582 1.205) 4.804 6.596 ( 2.259 3.843 2.256) 4.996 6.703 ( 2.353 0.274 3.519) 4.242 7.083 ( -7.404 -0.154 -3.643) 8.254 7.092 ( -2.838 2.938 0.422) 4.107 7.228 ( 8.056 5.047 4.895) 10.693 7.370 ( 4.656 4.327 3.374) 7.196 7.527 ( 4.544 1.782 -0.820) 4.949 7.555 ( 2.363 -1.202 2.040) 3.345 7.673 ( 7.571 7.541 4.541) 11.611 7.849 ( -2.774 1.939 -2.560) 4.243 7.975 ( 0.280 -0.454 1.667) 1.750 8.051 ( -3.000 4.628 -0.203) 5.519 8.350 ( -7.547 7.707 0.356) 10.793 8.529 ( 5.282 5.414 -0.126) 7.565 8.685 ( 4.281 5.579 1.610) 7.214 8.814 ( -3.789 1.658 -3.629) 5.502 8.904 ( -2.953 -0.617 -4.628) 5.524 9.614 ( -2.693 -11.031 -0.467) 11.365 9.829 ( -0.401 -8.182 1.254) 8.287 10.442 ( -2.910 -3.642 -2.320) 5.207 10.504 ( 0.806 -5.337 4.046) 6.745 10.956 ( -4.848 -9.889 1.915) 11.179 11.117 ( -5.287 -3.957 -3.103) 7.297 11.232 ( 0.431 -5.590 2.378) 6.090 11.534 ( 4.293 -10.939 1.745) 11.880 11.854 ( -6.467 0.434 -3.818) 7.522 11.967 ( 0.719 2.020 -3.938) 4.484 12.116 ( 0.122 -1.791 0.862) 1.991 12.156 ( 2.361 -1.243 -2.501) 3.657 12.220 ( 2.639 -7.806 2.520) 8.617 12.434 ( 0.351 1.375 -1.480) 2.050 13.193 ( -9.285 5.026 -7.450) 12.922 13.350 ( 17.353 4.018 13.304) 22.232 13.674 ( -1.963 0.706 -1.056) 2.338 13.874 ( 0.504 1.999 -5.088) 5.490 14.001 ( 2.823 0.036 3.474) 4.477 14.221 ( 1.768 6.616 -3.344) 7.621 14.449 ( -4.600 3.214 -3.379) 6.551 14.480 ( -0.574 3.603 2.322) 4.325 14.582 ( 1.431 2.137 6.283) 6.789 14.843 ( 2.302 2.908 -3.582) 5.156 15.161 ( -9.366 6.268 -8.929) 14.379 15.326 ( 6.253 6.950 5.945) 11.079 16.263 ( -5.625 -2.241 0.416) 6.069 16.421 ( -1.835 -2.621 0.739) 3.283 20.110 ( 0.922 -5.047 -3.167) 6.029 20.131 ( 1.913 -5.705 1.879) 6.303 20.277 ( -2.397 1.135 -0.731) 2.751 20.425 ( 2.176 0.568 0.802) 2.388 24.454 ( -0.558 1.373 0.128) 1.488 24.592 ( -0.302 1.795 0.026) 1.820 24.774 ( -4.496 1.717 0.596) 4.849 24.817 ( -8.637 3.051 -4.234) 10.092 25.950 ( 0.658 -3.237 0.095) 3.305 26.252 ( 0.486 -2.322 -0.847) 2.519 26.338 ( 1.863 5.493 14.637) 15.745 26.779 ( 6.051 0.656 -4.356) 7.485 27.036 ( -3.605 0.211 -1.514) 3.915 27.076 ( -3.065 -0.535 0.536) 3.157 27.206 ( -1.575 -2.635 3.168) 4.412 27.550 ( 4.916 -0.432 -8.165) 9.540 28.007 ( -2.026 -6.117 -0.343) 6.453 28.123 ( 0.556 -13.047 1.189) 13.112 28.341 ( 0.905 -3.590 -2.102) 4.257 28.442 ( 1.661 -0.605 0.825) 1.951 28.557 ( 0.650 -1.900 3.826) 4.321 28.860 ( 1.333 -1.575 5.897) 6.248 29.211 ( -3.898 4.924 -3.539) 7.209 29.871 ( 6.020 3.826 -6.846) 9.887 ======================= Grid point 195 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -21.661 0.000 11.126) 24.351 0.805 ( -32.015 0.000 0.558) 32.020 1.156 ( -17.618 0.000 19.736) 26.455 1.627 ( -2.913 0.000 -3.262) 4.373 1.899 ( -11.497 0.000 -5.941) 12.942 2.081 ( 2.670 -0.000 -8.498) 8.908 2.248 ( -4.365 0.000 7.238) 8.452 2.544 ( -12.970 0.000 -7.310) 14.888 2.585 ( 7.852 -0.000 1.705) 8.035 2.622 ( -1.234 0.000 7.558) 7.658 2.686 ( 12.008 -0.000 -1.931) 12.162 3.004 ( 6.770 -0.000 -1.745) 6.991 3.051 ( -6.970 0.000 1.754) 7.187 3.097 ( 0.480 -0.000 1.928) 1.987 3.265 ( -4.376 0.000 -2.373) 4.978 3.459 ( 0.341 -0.000 7.076) 7.084 3.622 ( -4.686 0.000 -0.430) 4.706 3.638 ( 1.030 -0.000 -1.933) 2.190 3.859 ( -3.841 0.000 12.610) 13.182 4.008 ( 8.577 -0.000 7.310) 11.269 4.040 ( -7.437 0.000 -8.599) 11.369 4.102 ( 1.767 -0.000 -10.369) 10.518 4.212 ( 3.177 -0.000 7.313) 7.973 4.303 ( -5.155 0.000 -6.311) 8.148 4.840 ( 1.237 -0.000 -5.225) 5.369 4.892 ( 3.857 -0.000 0.538) 3.894 5.014 ( -2.844 0.000 -7.156) 7.701 5.136 ( -2.837 0.000 -2.429) 3.735 5.180 ( 1.674 -0.000 -0.388) 1.719 5.262 ( 5.573 -0.000 -2.974) 6.317 5.382 ( 0.239 -0.000 0.379) 0.448 5.609 ( -2.816 0.000 -2.984) 4.103 5.736 ( 1.999 -0.000 6.642) 6.936 5.809 ( 2.619 -0.000 2.054) 3.328 5.983 ( 8.143 -0.000 11.357) 13.975 6.043 ( 9.828 -0.000 -8.900) 13.259 6.261 ( 2.442 -0.000 -8.560) 8.901 6.261 ( 5.322 -0.000 -0.706) 5.369 6.641 ( -1.695 0.000 10.371) 10.508 6.735 ( 7.810 -0.000 -6.691) 10.285 6.878 ( -2.248 0.000 -9.171) 9.443 7.170 ( 1.881 -0.000 7.544) 7.775 7.184 ( -1.077 0.000 0.290) 1.116 7.245 ( -0.042 0.000 3.448) 3.448 7.423 ( -7.376 0.000 -0.231) 7.380 7.497 ( 3.865 -0.000 4.807) 6.168 7.554 ( 2.495 -0.000 -3.024) 3.920 7.751 ( 12.184 -0.000 6.759) 13.933 7.869 ( 0.271 -0.000 -2.157) 2.174 7.917 ( 15.421 -0.000 12.071) 19.583 8.340 ( -6.082 0.000 0.256) 6.087 8.607 ( -0.900 0.000 -2.480) 2.638 8.664 ( -3.110 0.000 -3.038) 4.347 8.779 ( -4.971 0.000 2.650) 5.634 8.820 ( 7.071 -0.000 4.283) 8.267 8.880 ( -6.528 0.000 1.041) 6.610 9.306 ( -10.751 0.000 -2.921) 11.140 9.671 ( 1.769 -0.000 4.101) 4.466 10.339 ( 1.266 -0.000 4.994) 5.152 10.343 ( -3.808 0.000 -4.035) 5.548 10.697 ( -4.048 0.000 3.297) 5.221 11.060 ( -4.187 0.000 -3.586) 5.513 11.109 ( -1.033 0.000 2.605) 2.803 11.226 ( 1.623 -0.000 -0.695) 1.765 11.880 ( 8.350 -0.000 10.893) 13.725 11.912 ( -14.446 0.000 -14.815) 20.692 12.077 ( 1.134 -0.000 -0.014) 1.134 12.079 ( 1.673 -0.000 -4.615) 4.909 12.160 ( -0.763 0.000 -4.857) 4.916 12.311 ( 0.517 -0.000 0.093) 0.525 13.437 ( 22.996 -0.000 16.567) 28.342 13.484 ( -16.991 0.000 -38.061) 41.682 13.693 ( -1.696 0.000 -1.136) 2.041 13.902 ( -2.060 0.000 -8.152) 8.408 14.055 ( -1.731 0.000 3.218) 3.654 14.355 ( 3.278 -0.000 -0.594) 3.331 14.581 ( -0.997 0.000 -3.718) 3.849 14.618 ( 4.284 -0.000 6.742) 7.988 14.708 ( 0.443 -0.000 8.746) 8.757 14.760 ( -7.060 0.000 -4.291) 8.262 15.335 ( -9.464 0.000 -0.051) 9.464 15.475 ( 4.035 -0.000 4.058) 5.722 16.253 ( -2.113 0.000 1.197) 2.429 16.283 ( -3.545 0.000 -0.168) 3.549 19.875 ( -2.274 0.000 -0.109) 2.277 19.989 ( 0.439 -0.000 0.437) 0.620 20.313 ( -2.261 0.000 -0.002) 2.261 20.439 ( 1.632 -0.000 0.623) 1.747 24.490 ( -0.797 0.000 0.672) 1.042 24.630 ( -1.147 0.000 -0.745) 1.368 24.814 ( -3.040 0.000 3.397) 4.559 24.964 ( -13.994 0.000 -17.088) 22.087 25.895 ( 1.057 -0.000 -1.056) 1.495 26.199 ( -1.249 0.000 -0.470) 1.335 26.768 ( 6.617 -0.000 -6.952) 9.598 26.873 ( 19.438 -0.000 20.579) 28.308 27.006 ( -0.732 0.000 -0.459) 0.864 27.037 ( -0.349 0.000 0.645) 0.733 27.258 ( 0.336 -0.000 7.332) 7.340 27.299 ( -7.718 0.000 -13.184) 15.277 27.759 ( -2.569 0.000 2.048) 3.286 27.909 ( 1.903 -0.000 0.452) 1.956 28.116 ( 3.419 -0.000 1.749) 3.840 28.216 ( 5.164 -0.000 0.166) 5.166 28.609 ( -2.406 0.000 2.185) 3.250 28.831 ( -0.790 0.000 4.322) 4.394 29.346 ( -6.677 0.000 -5.905) 8.913 29.975 ( -1.054 0.000 -7.329) 7.404 ======================= Grid point 196 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -9.419 -15.332 12.564) 21.946 0.859 ( -15.942 -18.798 9.204) 26.310 1.361 ( -10.194 -22.090 14.578) 28.362 1.613 ( -4.127 -1.819 -3.418) 5.659 1.860 ( -8.153 -1.266 -6.347) 10.410 2.091 ( -7.227 -2.001 -11.093) 13.390 2.201 ( 0.555 3.437 10.224) 10.800 2.473 ( -11.160 -2.863 -4.374) 12.324 2.600 ( 0.044 0.915 4.579) 4.669 2.678 ( 8.884 -1.356 4.156) 9.902 2.754 ( 6.424 -1.957 -2.630) 7.212 2.923 ( -6.763 1.499 -1.169) 7.025 3.147 ( 3.087 -2.132 5.352) 6.536 3.174 ( 2.779 -8.247 -3.655) 9.439 3.232 ( -0.711 1.498 0.382) 1.702 3.417 ( -2.598 3.645 2.858) 5.311 3.546 ( -3.866 1.418 -3.235) 5.237 3.665 ( 0.748 0.198 0.163) 0.791 3.857 ( -0.988 -0.027 13.186) 13.223 3.921 ( -0.000 3.280 -0.702) 3.355 4.088 ( 2.310 -1.789 -8.868) 9.337 4.136 ( -4.114 -1.332 -2.047) 4.785 4.221 ( 0.946 -3.739 1.458) 4.123 4.350 ( -1.973 -3.475 -3.000) 4.997 4.783 ( -2.034 6.016 -9.554) 11.472 4.922 ( 1.179 -0.782 -1.222) 1.870 4.987 ( 0.639 3.485 0.102) 3.545 5.068 ( 0.165 0.969 -1.634) 1.907 5.206 ( -1.673 0.100 0.364) 1.715 5.266 ( 7.348 4.389 -3.756) 9.347 5.341 ( -0.170 2.234 1.811) 2.881 5.533 ( -0.305 4.139 0.535) 4.185 5.756 ( -1.525 -0.528 2.455) 2.938 5.897 ( 5.750 6.375 8.338) 11.968 5.932 ( -0.672 -4.668 3.256) 5.731 6.047 ( 7.597 8.091 -4.275) 11.894 6.280 ( 2.353 2.307 -7.682) 8.359 6.312 ( 4.440 -2.263 -1.321) 5.156 6.531 ( -8.312 13.310 -1.999) 15.819 6.647 ( 1.482 -0.277 9.870) 9.984 6.797 ( 4.172 5.348 -4.213) 7.985 7.040 ( -2.410 0.939 -3.095) 4.034 7.142 ( -2.238 3.573 3.013) 5.182 7.353 ( 0.046 1.784 7.972) 8.169 7.445 ( 1.873 -3.344 0.634) 3.885 7.480 ( 4.632 -2.544 2.960) 6.057 7.586 ( 4.325 0.343 1.694) 4.657 7.758 ( 4.588 3.314 -3.349) 6.577 7.844 ( 3.827 -1.467 1.464) 4.352 8.099 ( 6.191 4.822 5.902) 9.820 8.197 ( -4.582 9.554 -0.091) 10.596 8.496 ( -5.977 10.734 -1.537) 12.381 8.647 ( 2.692 2.563 -3.615) 5.185 8.778 ( 0.223 0.667 -0.465) 0.844 8.799 ( -0.925 -3.073 -5.915) 6.729 8.863 ( -0.684 1.864 0.651) 2.089 9.375 ( -4.850 -10.790 -0.427) 11.838 9.710 ( -0.931 -3.573 1.451) 3.967 10.353 ( -1.620 -3.345 -1.848) 4.151 10.405 ( -0.532 -4.377 2.959) 5.310 10.760 ( -2.420 -7.414 4.250) 8.881 11.045 ( -2.560 -1.184 -2.396) 3.701 11.144 ( -0.390 -3.512 1.987) 4.054 11.332 ( 0.705 -9.548 -0.718) 9.601 11.824 ( -4.212 0.208 -2.082) 4.703 12.011 ( 4.960 -5.637 5.533) 9.327 12.047 ( 1.507 1.760 -3.107) 3.876 12.137 ( 2.460 -1.982 -1.424) 3.465 12.159 ( 1.820 -1.479 -2.094) 3.144 12.392 ( -0.511 -5.182 -2.424) 5.744 13.233 ( -18.927 7.461 -17.482) 26.824 13.535 ( 15.101 3.251 11.098) 19.020 13.677 ( -0.571 0.541 0.623) 1.003 13.893 ( 0.754 0.105 -5.277) 5.332 14.034 ( 1.661 1.305 4.881) 5.318 14.342 ( 1.953 3.893 -4.385) 6.181 14.496 ( -3.449 4.835 -1.612) 6.154 14.562 ( -1.894 5.052 4.014) 6.725 14.628 ( 2.228 1.499 6.688) 7.207 14.877 ( 5.685 -2.359 -2.859) 6.787 15.221 ( -9.206 5.273 -3.382) 11.135 15.460 ( 2.106 3.685 3.241) 5.341 16.209 ( -3.817 0.264 0.837) 3.917 16.338 ( -2.279 -4.434 0.143) 4.987 19.990 ( 2.280 -8.411 -3.808) 9.510 20.034 ( 0.059 -4.251 0.100) 4.253 20.291 ( -1.196 1.098 0.625) 1.740 20.444 ( 1.182 0.271 0.190) 1.227 24.476 ( -0.167 1.012 0.453) 1.121 24.616 ( -0.449 0.844 -0.152) 0.968 24.779 ( -5.868 1.926 -0.171) 6.179 24.813 ( -12.190 2.918 -7.087) 14.399 25.911 ( 1.021 -1.197 -0.348) 1.611 26.206 ( -1.383 -1.743 -1.431) 2.646 26.555 ( -0.010 18.133 21.971) 28.487 26.822 ( 7.794 -0.253 -5.328) 9.445 27.011 ( -1.083 -0.708 -1.027) 1.652 27.063 ( -6.271 1.591 -0.845) 6.525 27.136 ( -0.404 -3.470 5.128) 6.205 27.552 ( 6.445 -3.826 -8.371) 11.236 27.886 ( 0.476 -10.463 0.268) 10.477 27.924 ( 0.146 -1.660 -0.024) 1.667 28.240 ( 4.793 -7.331 4.488) 9.841 28.386 ( 7.031 -7.921 -1.684) 10.725 28.572 ( -2.053 2.044 2.172) 3.620 28.839 ( -0.742 -1.284 3.786) 4.066 29.275 ( -3.092 3.506 -4.977) 6.828 29.940 ( -1.085 1.051 -11.466) 11.565 ======================= Grid point 206 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -11.121 0.000 20.633) 23.439 0.521 ( -12.380 0.000 21.034) 24.407 0.976 ( -14.710 0.000 39.237) 41.903 1.583 ( -3.315 0.000 -3.452) 4.786 1.788 ( -5.271 0.000 -6.175) 8.119 2.025 ( -6.472 0.000 -18.713) 19.801 2.277 ( -2.582 0.000 2.948) 3.919 2.406 ( -1.965 0.000 -3.487) 4.002 2.647 ( 3.749 -0.000 10.746) 11.381 2.672 ( 5.585 -0.000 3.131) 6.403 2.812 ( 6.530 -0.000 -3.630) 7.471 2.914 ( -7.569 0.000 -0.548) 7.589 3.056 ( 1.432 -0.000 -3.697) 3.964 3.150 ( 2.524 -0.000 6.265) 6.754 3.249 ( 2.072 -0.000 2.879) 3.547 3.447 ( -4.494 0.000 0.406) 4.513 3.572 ( -3.907 0.000 -1.950) 4.366 3.587 ( -7.838 0.000 -8.081) 11.258 3.859 ( 2.478 -0.000 14.083) 14.299 3.960 ( -3.835 0.000 -6.482) 7.532 4.093 ( 2.425 -0.000 1.400) 2.801 4.112 ( 2.050 -0.000 -7.909) 8.170 4.247 ( 0.300 -0.000 4.885) 4.894 4.248 ( -1.463 0.000 -3.901) 4.166 4.834 ( 0.367 -0.000 -7.813) 7.822 4.914 ( -1.963 0.000 0.922) 2.168 4.974 ( 0.075 -0.000 -8.523) 8.523 5.131 ( 1.650 -0.000 2.376) 2.892 5.166 ( -3.476 0.000 -0.832) 3.574 5.343 ( 7.357 -0.000 -6.881) 10.073 5.380 ( -1.001 0.000 -0.059) 1.003 5.565 ( -3.635 0.000 -3.452) 5.013 5.740 ( -1.836 0.000 6.305) 6.567 5.824 ( -1.108 0.000 6.622) 6.714 6.125 ( 13.618 -0.000 8.577) 16.094 6.175 ( 11.859 -0.000 -2.522) 12.125 6.289 ( 3.118 -0.000 -9.575) 10.069 6.327 ( 4.961 -0.000 -0.841) 5.032 6.653 ( 2.393 -0.000 11.456) 11.704 6.724 ( -12.723 0.000 -11.219) 16.963 6.842 ( -1.986 0.000 -10.043) 10.237 7.165 ( -3.207 0.000 2.225) 3.903 7.187 ( 1.750 -0.000 1.164) 2.101 7.236 ( -0.764 0.000 3.242) 3.331 7.344 ( -5.302 0.000 2.099) 5.702 7.524 ( -0.105 0.000 2.359) 2.361 7.600 ( 4.784 -0.000 1.530) 5.022 7.862 ( 6.035 -0.000 2.707) 6.614 7.880 ( 1.813 -0.000 0.178) 1.822 8.111 ( 6.189 -0.000 -2.045) 6.518 8.294 ( -1.053 0.000 -1.761) 2.052 8.589 ( -1.485 0.000 -3.099) 3.436 8.626 ( -2.929 0.000 -4.358) 5.250 8.734 ( -2.465 0.000 2.091) 3.232 8.782 ( -9.413 0.000 -2.476) 9.734 8.917 ( 5.222 -0.000 1.890) 5.554 9.196 ( -6.255 0.000 -1.393) 6.408 9.668 ( -2.701 0.000 -0.040) 2.701 10.311 ( -0.623 0.000 -2.190) 2.277 10.359 ( 0.780 -0.000 3.482) 3.568 10.675 ( -0.432 0.000 5.756) 5.773 11.024 ( -1.037 0.000 -2.307) 2.529 11.095 ( -1.589 0.000 1.919) 2.491 11.231 ( -0.342 0.000 -1.923) 1.953 11.852 ( 19.890 -0.000 14.818) 24.803 11.948 ( 1.168 -0.000 6.974) 7.071 12.096 ( 1.416 -0.000 1.012) 1.740 12.102 ( 2.579 -0.000 -3.189) 4.101 12.158 ( 1.209 -0.000 -2.664) 2.926 12.310 ( 0.425 -0.000 0.162) 0.455 13.173 ( -26.347 0.000 -23.440) 35.264 13.606 ( -4.091 0.000 -3.193) 5.190 13.717 ( 10.211 -0.000 11.298) 15.229 13.896 ( 1.689 -0.000 -4.351) 4.668 14.060 ( 1.354 -0.000 5.022) 5.202 14.394 ( 4.801 -0.000 -3.277) 5.813 14.533 ( -6.928 0.000 -6.221) 9.311 14.597 ( -5.578 0.000 3.269) 6.466 14.744 ( 4.819 -0.000 4.597) 6.660 14.839 ( 18.615 -0.000 10.339) 21.293 15.224 ( -8.021 0.000 1.594) 8.178 15.501 ( -0.526 0.000 0.659) 0.843 16.232 ( -1.249 0.000 0.264) 1.277 16.242 ( -2.843 0.000 0.249) 2.854 19.855 ( -0.949 0.000 0.269) 0.986 19.986 ( -1.093 0.000 -1.155) 1.590 20.299 ( -0.170 0.000 1.445) 1.455 20.451 ( 0.339 -0.000 -0.369) 0.502 24.487 ( 0.205 -0.000 0.646) 0.678 24.622 ( -0.099 0.000 0.102) 0.142 24.748 ( -17.348 0.000 -11.093) 20.591 24.775 ( -3.496 0.000 1.907) 3.982 25.910 ( 1.623 -0.000 -0.003) 1.623 26.175 ( -2.404 0.000 -2.038) 3.152 26.846 ( 6.828 -0.000 -5.774) 8.942 26.973 ( -7.056 0.000 -5.988) 9.254 27.030 ( -0.803 0.000 0.518) 0.956 27.039 ( -6.141 0.000 -2.534) 6.643 27.257 ( -1.688 0.000 7.237) 7.431 27.334 ( 28.088 -0.000 11.462) 30.337 27.752 ( 2.035 -0.000 6.422) 6.736 27.929 ( 1.018 -0.000 0.416) 1.099 28.183 ( 8.815 -0.000 4.816) 10.044 28.273 ( 3.906 -0.000 1.160) 4.074 28.582 ( -2.274 0.000 1.096) 2.524 28.805 ( -4.277 0.000 1.880) 4.672 29.298 ( 0.121 -0.000 -3.980) 3.982 29.857 ( -20.771 0.000 -16.444) 26.492 ======================= Grid point 207 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.921 -0.000 26.403) 27.295 1.067 ( 3.811 -0.000 23.950) 24.251 1.436 ( -2.959 0.000 -12.524) 12.869 1.479 ( -4.627 0.000 -21.272) 21.770 1.664 ( 1.557 -0.000 7.622) 7.780 1.677 ( 5.055 -0.000 -1.355) 5.233 2.217 ( 5.016 -0.000 25.687) 26.172 2.603 ( 8.663 -0.000 6.738) 10.975 2.616 ( -12.864 0.000 -5.814) 14.117 2.798 ( -3.720 0.000 -7.794) 8.636 2.807 ( 0.171 -0.000 2.138) 2.145 2.891 ( -4.498 0.000 -5.032) 6.749 2.958 ( -4.567 0.000 -3.077) 5.507 2.961 ( 1.868 -0.000 -15.943) 16.052 3.354 ( 2.017 -0.000 10.274) 10.470 3.417 ( 5.708 -0.000 4.390) 7.201 3.496 ( -2.869 0.000 -1.655) 3.312 3.512 ( -1.461 0.000 -3.108) 3.434 3.871 ( -1.345 0.000 -1.175) 1.786 3.927 ( 3.233 -0.000 -7.721) 8.371 4.084 ( -0.402 0.000 5.406) 5.421 4.116 ( -0.546 0.000 0.729) 0.911 4.232 ( -10.343 0.000 3.151) 10.812 4.288 ( 8.453 -0.000 -1.431) 8.574 4.789 ( 9.128 -0.000 -1.763) 9.297 4.795 ( -9.439 0.000 -2.341) 9.725 4.965 ( 12.429 -0.000 -2.490) 12.676 4.984 ( -12.297 0.000 -4.718) 13.171 5.283 ( 4.102 -0.000 7.054) 8.160 5.353 ( 6.483 -0.000 -1.583) 6.673 5.359 ( -4.664 0.000 0.554) 4.697 5.420 ( -4.817 0.000 -5.677) 7.445 5.850 ( -1.072 0.000 6.119) 6.213 5.892 ( -1.894 0.000 1.676) 2.529 6.154 ( -12.769 0.000 -0.105) 12.769 6.193 ( 2.939 -0.000 -3.765) 4.776 6.308 ( -3.294 0.000 -1.349) 3.560 6.315 ( 12.839 -0.000 -1.536) 12.930 6.520 ( -4.631 0.000 4.301) 6.320 6.630 ( -0.423 0.000 -8.208) 8.219 6.950 ( 7.337 -0.000 10.490) 12.801 7.089 ( -4.739 0.000 -4.721) 6.689 7.291 ( 5.293 -0.000 4.964) 7.257 7.319 ( 0.392 -0.000 3.646) 3.667 7.365 ( 2.537 -0.000 0.823) 2.667 7.406 ( -11.234 0.000 -5.188) 12.374 7.763 ( 7.644 -0.000 5.235) 9.265 7.841 ( -7.904 0.000 -3.081) 8.484 7.986 ( 8.440 -0.000 4.424) 9.529 8.062 ( -14.351 0.000 -2.320) 14.538 8.195 ( 10.537 -0.000 7.160) 12.739 8.382 ( -8.848 0.000 -11.195) 14.269 8.567 ( 0.832 -0.000 0.890) 1.218 8.623 ( -1.027 0.000 -4.678) 4.789 8.770 ( 2.631 -0.000 2.279) 3.481 8.817 ( -5.389 0.000 -3.022) 6.178 9.359 ( 12.861 -0.000 7.904) 15.096 9.500 ( -10.877 0.000 -7.218) 13.054 10.337 ( 4.920 -0.000 0.890) 5.000 10.346 ( -4.831 0.000 0.094) 4.832 10.840 ( 3.139 -0.000 7.430) 8.066 10.951 ( -1.200 0.000 -4.798) 4.945 11.111 ( -1.707 0.000 2.721) 3.212 11.170 ( 0.254 -0.000 -3.429) 3.439 11.996 ( -8.839 0.000 4.786) 10.052 12.078 ( 5.272 -0.000 -3.704) 6.443 12.112 ( -1.144 0.000 0.962) 1.495 12.135 ( 2.835 -0.000 -1.625) 3.268 12.391 ( 0.935 -0.000 3.935) 4.044 12.465 ( 7.909 -0.000 -3.782) 8.767 13.137 ( 28.327 -0.000 5.942) 28.943 13.278 ( -23.170 0.000 -9.190) 24.926 13.874 ( -6.963 0.000 2.570) 7.422 13.902 ( 7.841 -0.000 -1.117) 7.920 14.197 ( 3.155 -0.000 6.176) 6.935 14.314 ( -4.704 0.000 -6.592) 8.098 14.496 ( 14.869 -0.000 0.549) 14.879 14.510 ( -12.457 0.000 -0.858) 12.487 14.972 ( -3.015 0.000 7.924) 8.479 15.091 ( 14.086 -0.000 -4.769) 14.871 15.253 ( 7.432 -0.000 4.944) 8.926 15.355 ( -11.697 0.000 -5.951) 13.124 16.225 ( -0.169 0.000 0.219) 0.276 16.234 ( 1.390 -0.000 -0.757) 1.582 19.875 ( 1.437 -0.000 1.636) 2.178 19.914 ( -2.051 0.000 -2.552) 3.274 20.366 ( 2.197 -0.000 3.002) 3.720 20.414 ( -1.804 0.000 -2.257) 2.889 24.525 ( 1.993 -0.000 1.902) 2.755 24.563 ( -2.160 0.000 -2.170) 3.061 24.729 ( 8.391 -0.000 0.891) 8.438 24.738 ( -5.379 0.000 -0.162) 5.381 25.979 ( 3.946 -0.000 3.470) 5.255 26.057 ( -4.151 0.000 -4.866) 6.396 26.764 ( -14.011 0.000 4.015) 14.575 26.840 ( 8.368 -0.000 -4.228) 9.376 27.017 ( 0.143 -0.000 0.423) 0.446 27.023 ( -0.290 0.000 -0.209) 0.358 27.362 ( -6.537 0.000 8.015) 10.343 27.508 ( 8.810 -0.000 -7.729) 11.720 27.920 ( 4.867 -0.000 0.710) 4.919 27.929 ( -1.767 0.000 -0.240) 1.783 28.357 ( -0.200 0.000 3.391) 3.397 28.419 ( 7.236 -0.000 -3.059) 7.856 28.605 ( 10.110 -0.000 3.787) 10.796 28.679 ( -9.321 0.000 -3.981) 10.135 29.359 ( 13.897 -0.000 0.977) 13.932 29.376 ( -24.114 0.000 -0.752) 24.125 ======================= Grid point 208 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 4.664 -7.245 19.173) 21.020 1.277 ( 8.649 -14.932 18.089) 25.000 1.417 ( -0.476 -1.953 -11.449) 11.624 1.521 ( -8.184 -6.139 -17.820) 20.548 1.699 ( 1.337 -2.833 0.827) 3.240 1.775 ( 7.584 -4.929 -2.542) 9.395 2.399 ( 10.331 -6.562 30.810) 33.152 2.547 ( -6.565 1.196 0.135) 6.674 2.594 ( 2.848 0.479 2.208) 3.635 2.693 ( -2.381 1.533 -9.793) 10.195 2.836 ( -0.096 -2.254 0.151) 2.262 2.921 ( -3.990 -5.534 -8.595) 10.974 2.980 ( 0.459 -3.490 0.207) 3.526 3.072 ( 2.491 -7.178 -8.098) 11.104 3.364 ( 0.151 1.126 7.777) 7.860 3.428 ( 2.207 2.852 0.817) 3.698 3.462 ( -0.545 0.448 3.186) 3.263 3.546 ( -2.959 -3.712 -4.203) 6.341 3.844 ( -0.459 2.300 -2.378) 3.340 3.914 ( 2.580 1.246 -7.449) 7.981 3.981 ( -4.534 7.584 3.389) 9.463 4.086 ( 3.086 -0.103 -0.233) 3.096 4.242 ( -2.423 -0.779 2.279) 3.416 4.317 ( 6.446 0.255 -0.952) 6.521 4.750 ( -8.409 -0.626 -4.450) 9.535 4.834 ( 10.880 2.476 -0.690) 11.180 4.959 ( -10.362 -4.771 -1.926) 11.569 5.060 ( 7.890 -1.583 -0.817) 8.088 5.252 ( 1.321 4.748 7.009) 8.568 5.281 ( -4.244 4.045 -1.290) 6.003 5.403 ( -3.643 -1.108 -4.049) 5.558 5.432 ( 4.396 -1.669 -1.700) 5.000 5.821 ( -4.752 2.017 6.676) 8.439 5.909 ( -4.003 0.156 2.523) 4.735 5.918 ( -12.742 6.376 7.485) 16.094 6.156 ( 3.090 4.788 -6.077) 8.331 6.244 ( 3.342 4.262 -2.244) 5.863 6.306 ( 4.922 6.526 -5.586) 9.900 6.523 ( 0.941 -0.808 7.676) 7.776 6.645 ( -2.170 -1.178 -8.351) 8.709 6.942 ( 3.238 3.921 6.894) 8.567 7.015 ( -0.946 2.655 -4.683) 5.466 7.310 ( 4.601 2.450 9.328) 10.685 7.329 ( -8.177 1.457 -2.179) 8.586 7.483 ( 3.231 -5.452 2.045) 6.659 7.513 ( -4.559 -11.579 -4.053) 13.087 7.757 ( -9.257 2.481 -0.879) 9.624 7.771 ( -1.303 5.622 2.616) 6.337 7.933 ( -0.651 3.039 4.137) 5.175 8.010 ( 4.966 1.679 0.598) 5.276 8.140 ( 3.193 7.279 7.436) 10.885 8.277 ( -2.543 2.006 -9.970) 10.483 8.489 ( 4.342 7.249 1.510) 8.584 8.531 ( 1.388 8.656 -5.280) 10.234 8.812 ( -3.492 -1.276 -1.956) 4.201 8.823 ( 2.714 -0.627 1.262) 3.058 9.491 ( 0.285 -6.448 1.226) 6.570 9.535 ( 2.909 -7.870 -1.690) 8.558 10.349 ( -5.109 -3.085 -0.151) 5.970 10.407 ( 5.904 -3.652 0.916) 7.003 10.925 ( 2.449 -5.549 5.396) 8.119 10.994 ( 0.398 -4.617 -3.815) 6.002 11.158 ( 0.265 -5.147 4.058) 6.559 11.227 ( -0.542 -5.410 -3.982) 6.739 11.945 ( -9.710 -0.659 2.864) 10.145 12.057 ( 2.221 2.188 -0.954) 3.261 12.118 ( -2.153 -0.831 0.163) 2.313 12.186 ( 7.138 -1.493 -0.608) 7.318 12.367 ( -10.599 0.451 0.335) 10.614 12.507 ( 3.602 -1.680 -4.352) 5.894 13.117 ( -18.688 1.839 -8.613) 20.659 13.250 ( 25.645 6.259 4.898) 26.849 13.825 ( -5.301 0.994 1.654) 5.642 13.917 ( 6.239 3.321 0.123) 7.068 14.206 ( 1.865 1.140 5.883) 6.276 14.276 ( -2.273 0.945 -5.181) 5.736 14.403 ( -11.804 2.694 -2.899) 12.450 14.541 ( 13.872 4.231 0.516) 14.512 14.898 ( -3.817 4.086 5.481) 7.830 15.020 ( 3.750 9.707 -1.189) 10.474 15.201 ( -16.606 4.862 -6.926) 18.638 15.331 ( 17.134 2.534 2.426) 17.489 16.248 ( 3.176 -2.119 2.685) 4.668 16.282 ( 0.908 -2.375 -3.187) 4.076 19.943 ( -1.979 -4.908 -0.697) 5.338 19.973 ( 2.200 -5.998 -1.342) 6.528 20.378 ( 2.265 0.224 2.954) 3.730 20.400 ( -2.161 0.161 -2.482) 3.295 24.529 ( 2.539 1.067 2.093) 3.459 24.543 ( -0.585 1.075 -2.325) 2.628 24.705 ( -3.629 0.402 -0.933) 3.769 24.773 ( 9.655 1.322 -0.303) 9.750 26.009 ( 3.085 -0.730 4.374) 5.402 26.054 ( -2.959 -2.406 -5.259) 6.496 26.664 ( -12.739 1.696 10.713) 16.731 26.906 ( 6.559 -1.167 -4.389) 7.978 26.986 ( -2.337 2.772 0.127) 3.628 27.021 ( 2.725 0.227 -0.495) 2.779 27.275 ( -4.368 2.569 8.788) 10.144 27.507 ( 4.831 3.582 -10.155) 11.803 27.916 ( -0.152 -1.723 0.032) 1.730 27.929 ( 1.137 -2.007 -0.542) 2.370 28.413 ( -3.099 -3.916 2.425) 5.552 28.458 ( -1.277 -0.537 -1.577) 2.099 28.637 ( -5.959 -4.002 3.832) 8.137 28.855 ( 16.023 -6.989 -4.359) 18.016 29.277 ( -16.755 -3.671 -1.864) 17.253 29.433 ( 9.501 0.152 -0.475) 9.514 ======================= Grid point 209 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.102 -6.315 7.418) 9.742 1.477 ( 0.503 -4.185 -6.837) 8.032 1.598 ( 0.191 -9.153 -2.941) 9.616 1.682 ( 8.813 -15.618 8.558) 19.870 1.788 ( 1.520 -5.621 -4.122) 7.134 1.941 ( 10.983 -6.002 -2.630) 12.790 2.361 ( -5.521 3.258 2.707) 6.959 2.500 ( 5.706 3.638 5.613) 8.792 2.630 ( -8.719 -1.245 -5.724) 10.504 2.781 ( 6.000 -2.202 2.665) 6.925 2.967 ( -4.625 -8.743 -2.779) 10.274 3.063 ( 4.149 -10.842 6.646) 13.376 3.087 ( 5.805 -4.887 2.093) 7.871 3.224 ( -2.078 -7.925 -5.865) 10.076 3.280 ( -6.226 5.310 -2.917) 8.688 3.356 ( 2.168 3.693 2.733) 5.081 3.461 ( -1.247 -0.259 9.325) 9.412 3.620 ( -3.169 -5.833 -4.035) 7.768 3.784 ( 2.160 3.710 -0.176) 4.296 3.878 ( 1.807 1.137 5.804) 6.184 3.934 ( 3.086 -1.152 -7.507) 8.198 4.120 ( 4.500 -0.834 -0.932) 4.670 4.256 ( -0.329 -1.455 -1.875) 2.396 4.369 ( 8.120 -2.891 -3.549) 9.322 4.708 ( -3.975 1.769 -3.998) 5.908 4.775 ( 6.973 9.225 1.836) 11.709 4.987 ( -8.615 -2.545 -0.570) 9.001 5.078 ( -1.229 4.990 5.866) 7.799 5.155 ( -2.694 1.402 2.483) 3.923 5.179 ( -1.479 2.125 -2.001) 3.272 5.350 ( -3.425 3.978 -1.865) 5.571 5.484 ( 5.124 0.444 -4.892) 7.099 5.701 ( -2.536 3.660 7.164) 8.435 5.771 ( -7.669 9.010 1.500) 11.926 5.878 ( -5.353 -0.878 9.038) 10.541 6.078 ( 0.455 5.165 -6.670) 8.448 6.118 ( -4.917 8.458 -11.056) 14.763 6.225 ( 9.905 4.502 1.099) 10.935 6.553 ( 2.461 -0.715 8.415) 8.797 6.637 ( -3.222 -0.184 -8.111) 8.729 6.863 ( 0.570 5.192 5.691) 7.725 6.959 ( 0.937 3.238 -6.363) 7.201 7.183 ( -6.142 7.713 9.370) 13.601 7.330 ( -1.754 -1.925 0.005) 2.604 7.452 ( -6.288 9.376 -7.594) 13.606 7.495 ( 5.162 6.283 4.570) 9.328 7.606 ( -2.768 4.416 0.634) 5.250 7.725 ( 0.964 3.617 1.342) 3.977 7.863 ( -5.956 0.609 3.021) 6.706 8.008 ( -0.149 2.253 -1.739) 2.851 8.128 ( -3.864 -5.098 5.846) 8.666 8.294 ( 2.980 10.255 -2.312) 10.926 8.381 ( 2.777 -7.309 -8.353) 11.441 8.408 ( 12.155 6.749 5.178) 14.836 8.786 ( -1.383 2.846 -0.964) 3.308 8.819 ( -0.016 0.723 -1.664) 1.815 9.648 ( -2.322 -10.309 -1.355) 10.654 9.750 ( 6.463 -9.929 1.021) 11.891 10.392 ( -5.550 -4.182 -0.348) 6.958 10.539 ( 7.050 -5.424 1.306) 8.990 11.048 ( -0.793 -6.198 0.556) 6.273 11.124 ( 3.427 -7.059 -1.581) 8.005 11.296 ( 0.743 -6.854 2.979) 7.510 11.345 ( 1.844 -6.409 -0.502) 6.688 11.915 ( -9.818 -2.229 -0.475) 10.079 12.047 ( 2.331 0.068 -0.254) 2.346 12.119 ( -3.630 -1.060 -0.684) 3.843 12.233 ( -9.698 0.545 -1.444) 9.820 12.291 ( 1.170 -0.326 -1.453) 1.894 12.539 ( 4.919 1.028 -2.134) 5.460 13.018 ( -8.006 -0.501 -2.381) 8.368 13.240 ( 16.208 6.671 5.730) 18.440 13.773 ( -3.034 1.870 1.871) 4.026 13.860 ( 1.865 4.309 0.183) 4.699 14.186 ( -1.199 0.980 3.048) 3.418 14.245 ( 0.947 2.118 -1.367) 2.693 14.284 ( -10.219 2.184 -5.678) 11.893 14.515 ( 10.194 5.221 0.256) 11.457 14.800 ( 0.216 5.095 6.533) 8.288 14.853 ( -1.935 6.930 -0.933) 7.255 14.992 ( -16.098 5.314 -8.264) 18.860 15.339 ( 14.457 6.385 1.457) 15.871 16.323 ( 1.070 -2.015 -1.664) 2.824 16.326 ( 3.966 -2.464 1.625) 4.944 20.037 ( -1.899 -5.540 -0.152) 5.859 20.100 ( 2.177 -5.046 -0.920) 5.572 20.374 ( -2.414 0.342 -1.562) 2.896 20.395 ( 1.517 -0.117 1.629) 2.229 24.505 ( -0.179 1.988 -1.630) 2.578 24.523 ( 2.190 1.464 1.521) 3.042 24.683 ( -1.304 0.226 -1.196) 1.784 24.794 ( 8.433 1.980 -0.711) 8.692 26.050 ( -0.132 -2.547 4.024) 4.764 26.116 ( -0.250 -4.849 -4.141) 6.381 26.563 ( -9.101 2.516 13.320) 16.328 26.834 ( -2.970 6.963 -5.132) 9.145 26.991 ( 1.718 -2.015 -1.662) 3.126 27.048 ( 5.625 0.312 -0.849) 5.697 27.256 ( -1.587 -1.402 7.015) 7.327 27.462 ( 2.217 1.940 -10.391) 10.801 28.015 ( -1.154 -7.781 -0.631) 7.891 28.046 ( 2.566 -8.466 1.100) 8.915 28.386 ( -3.219 2.420 -1.389) 4.260 28.450 ( 3.506 3.206 0.668) 4.797 28.751 ( -8.402 -10.305 2.175) 13.473 28.945 ( 5.588 2.584 5.362) 8.164 29.291 ( -4.601 -2.685 -0.587) 5.360 29.481 ( 2.944 -1.519 -7.111) 7.845 ======================= Grid point 210 (90/141) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -3.910 -3.255 -1.163) 5.219 1.528 ( -2.067 -2.525 -0.583) 3.315 1.791 ( 2.388 -5.869 -1.126) 6.436 1.936 ( 6.613 -10.018 1.486) 12.096 2.051 ( 10.267 -12.868 -0.552) 16.471 2.102 ( 9.327 -3.264 -1.059) 9.938 2.338 ( -2.021 -3.938 -1.524) 4.681 2.528 ( 9.790 -1.916 6.163) 11.726 2.597 ( -7.197 -1.423 -4.343) 8.526 2.838 ( 2.697 -2.728 -1.267) 4.040 3.038 ( -5.261 -2.413 -3.605) 6.819 3.067 ( -3.894 6.139 -0.837) 7.318 3.173 ( -0.894 0.002 6.717) 6.776 3.242 ( -4.028 -3.316 0.210) 5.222 3.319 ( 1.318 -0.666 -1.219) 1.915 3.401 ( 3.459 -5.913 0.394) 6.862 3.480 ( -2.544 -3.188 4.370) 5.977 3.720 ( 4.616 -0.267 -2.578) 5.294 3.738 ( -2.829 -2.781 -2.853) 4.886 3.916 ( 4.206 1.364 3.854) 5.865 3.961 ( -0.363 -2.753 -3.369) 4.366 4.152 ( 0.656 1.705 -0.610) 1.926 4.332 ( 3.821 -4.373 0.541) 5.833 4.475 ( 2.208 -0.052 -1.743) 2.813 4.565 ( 5.393 9.486 4.933) 11.975 4.640 ( 2.638 7.507 -2.937) 8.482 4.902 ( -5.893 8.254 4.534) 11.110 4.950 ( -3.696 0.857 0.763) 3.870 5.163 ( -7.921 1.763 2.107) 8.384 5.204 ( -1.078 -6.496 -4.248) 7.836 5.257 ( 3.892 0.667 4.402) 5.914 5.398 ( -5.034 7.230 -6.950) 11.221 5.581 ( -3.444 6.785 5.649) 9.477 5.669 ( -1.347 -0.135 0.842) 1.595 5.787 ( -5.379 5.432 -0.900) 7.697 5.902 ( -4.832 5.735 -7.361) 10.508 6.011 ( 3.923 6.183 -2.577) 7.763 6.183 ( 10.995 5.821 4.608) 13.267 6.557 ( 1.327 2.654 4.110) 5.069 6.627 ( -3.919 -2.403 -5.568) 7.221 6.784 ( 1.497 3.136 6.492) 7.364 6.887 ( 3.128 4.985 -3.649) 6.924 7.043 ( -3.157 2.924 5.618) 7.077 7.245 ( -0.288 8.540 4.010) 9.439 7.284 ( -8.075 1.774 -10.686) 13.511 7.479 ( 2.321 2.850 4.249) 5.618 7.498 ( -1.054 4.204 -2.122) 4.826 7.587 ( 5.263 8.702 1.489) 10.278 7.858 ( -4.531 -1.197 5.790) 7.449 7.978 ( -10.411 -1.367 -11.268) 15.402 8.116 ( 0.592 3.465 3.997) 5.323 8.178 ( -2.027 -0.937 -0.934) 2.421 8.399 ( 11.797 2.649 7.962) 14.477 8.533 ( -1.002 -2.791 -2.127) 3.649 8.739 ( 2.335 -0.062 -2.988) 3.792 8.795 ( 1.911 2.091 -1.076) 3.030 9.843 ( -1.141 -10.127 -0.977) 10.237 9.978 ( 4.712 -9.488 0.447) 10.603 10.434 ( -5.661 -3.526 -0.436) 6.684 10.686 ( 7.321 -4.584 2.290) 8.936 11.161 ( -1.727 -6.053 -1.629) 6.502 11.278 ( 3.069 -6.074 -2.137) 7.133 11.393 ( -2.359 -4.570 -3.962) 6.492 11.512 ( 9.041 -6.275 9.268) 14.388 11.892 ( -9.689 -0.519 -4.025) 10.504 12.076 ( 0.923 -1.666 -0.051) 1.905 12.099 ( -12.839 -1.015 -6.878) 14.601 12.138 ( -4.457 0.497 0.367) 4.500 12.301 ( 5.247 4.398 2.282) 7.216 12.568 ( 8.320 -1.016 1.551) 8.524 13.017 ( -2.814 -1.994 1.160) 3.639 13.218 ( 9.812 3.598 4.900) 11.542 13.719 ( -1.926 2.053 2.156) 3.546 13.787 ( 0.042 3.613 -1.080) 3.771 14.155 ( 0.204 2.779 3.008) 4.100 14.184 ( -12.979 0.020 -9.278) 15.954 14.210 ( 1.394 2.026 0.302) 2.478 14.482 ( 6.156 2.864 0.180) 6.792 14.694 ( 0.257 6.184 5.842) 8.511 14.738 ( -4.657 3.137 -0.578) 5.645 14.830 ( -7.792 2.550 -5.548) 9.899 15.264 ( 9.089 8.391 -0.005) 12.370 16.360 ( 0.746 -1.656 -2.281) 2.916 16.396 ( 4.144 -1.541 2.463) 5.061 20.124 ( -1.060 -4.117 0.052) 4.251 20.189 ( 2.089 -2.774 0.214) 3.479 20.353 ( -3.264 -0.222 -1.971) 3.820 20.408 ( 1.141 -0.300 1.547) 1.945 24.462 ( -0.332 1.971 -1.950) 2.793 24.507 ( 1.504 1.364 1.768) 2.693 24.679 ( 0.254 -0.171 -0.934) 0.983 24.800 ( 6.354 1.878 -0.703) 6.663 26.111 ( -1.677 -3.892 4.266) 6.013 26.218 ( 0.126 -5.338 -3.347) 6.302 26.463 ( -6.558 3.238 8.765) 11.416 26.684 ( -1.738 6.197 -3.949) 7.551 27.028 ( 2.087 -0.592 -1.474) 2.623 27.054 ( 4.429 2.185 -0.798) 5.003 27.293 ( -1.101 -2.589 5.428) 6.114 27.459 ( 0.471 -1.017 -8.743) 8.814 28.164 ( -2.004 -7.486 -1.727) 7.939 28.259 ( 4.826 -9.570 3.942) 11.420 28.312 ( -1.913 3.153 -0.919) 3.801 28.397 ( 3.481 3.378 0.329) 4.862 28.874 ( -3.177 -3.785 -2.951) 5.756 28.914 ( -0.868 -0.221 3.219) 3.342 29.305 ( -3.042 -1.398 6.856) 7.630 29.512 ( -0.193 -1.032 -7.263) 7.338 ======================= Grid point 211 (91/141) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -3.675 -2.684 -4.809) 6.621 1.558 ( 0.618 -0.908 0.509) 1.210 1.878 ( -1.974 -4.454 0.189) 4.876 2.087 ( 4.773 1.031 -2.235) 5.371 2.204 ( 8.824 -4.623 3.767) 10.650 2.338 ( 10.080 -9.045 0.867) 13.571 2.466 ( -1.619 -8.660 -4.927) 10.094 2.532 ( -4.161 0.940 -6.318) 7.623 2.723 ( 4.258 -6.653 2.828) 8.390 2.873 ( -1.393 7.497 -0.679) 7.655 2.972 ( 3.409 -5.803 -1.807) 6.969 3.034 ( -0.661 2.618 3.968) 4.800 3.152 ( 0.407 -2.074 7.090) 7.398 3.287 ( -5.083 3.237 0.385) 6.038 3.344 ( -2.396 -9.213 -0.342) 9.526 3.529 ( 5.631 -5.897 0.100) 8.155 3.565 ( 0.910 -4.730 -0.521) 4.845 3.714 ( 4.052 0.850 0.779) 4.213 3.790 ( -5.682 -0.730 -9.538) 11.126 3.885 ( 4.568 2.123 0.805) 5.101 4.007 ( -2.492 -0.057 0.941) 2.664 4.074 ( -1.239 4.531 -2.314) 5.236 4.177 ( -6.576 12.518 0.678) 14.157 4.384 ( -1.712 8.807 -5.347) 10.444 4.469 ( -0.195 7.738 1.273) 7.844 4.555 ( 4.985 1.657 6.467) 8.331 4.781 ( -2.038 1.356 6.534) 6.977 4.930 ( -0.741 0.578 0.033) 0.940 5.029 ( -7.961 4.703 1.481) 9.365 5.221 ( -0.512 5.658 -5.252) 7.737 5.351 ( -1.341 -6.555 8.016) 10.441 5.393 ( -1.469 -8.688 -1.140) 8.885 5.449 ( -0.102 3.488 5.363) 6.398 5.652 ( -1.722 2.234 -3.771) 4.709 5.698 ( -1.483 2.645 -4.892) 5.756 5.801 ( -0.423 1.924 -0.923) 2.176 5.918 ( 3.814 3.930 -4.458) 7.062 6.177 ( 12.439 1.487 6.275) 14.011 6.506 ( 0.153 2.155 0.992) 2.377 6.668 ( 2.365 -1.575 -0.115) 2.844 6.758 ( 0.767 1.118 7.239) 7.365 6.840 ( 4.271 1.154 -3.820) 5.845 6.995 ( -4.264 1.756 -0.960) 4.711 7.095 ( -1.861 5.314 4.197) 7.023 7.214 ( -8.724 0.725 -10.289) 13.509 7.348 ( 0.786 6.088 0.726) 6.181 7.427 ( -1.292 4.368 0.466) 4.579 7.508 ( -0.342 2.283 -2.158) 3.160 7.874 ( 4.068 -0.450 6.449) 7.638 7.913 ( -6.350 0.760 -3.258) 7.178 8.138 ( 1.280 -2.479 -1.569) 3.201 8.211 ( -1.358 -3.300 2.100) 4.140 8.418 ( 5.670 1.183 5.391) 7.913 8.482 ( -7.666 2.282 -4.708) 9.281 8.747 ( 0.569 2.422 -3.624) 4.396 8.816 ( 6.275 -1.762 2.322) 6.919 10.005 ( -0.286 -6.388 -0.833) 6.448 10.159 ( 2.929 -6.222 0.218) 6.881 10.459 ( -4.881 -2.297 -0.701) 5.440 10.785 ( 5.232 -1.086 2.411) 5.862 11.255 ( -1.365 -4.412 -1.982) 5.026 11.391 ( 2.601 -4.051 -1.165) 4.953 11.458 ( -1.602 -3.117 -2.808) 4.490 11.682 ( 8.780 -4.345 7.732) 12.480 11.802 ( -6.619 3.000 -3.569) 8.096 12.047 ( -13.507 -2.287 -7.470) 15.603 12.120 ( -0.588 -0.166 0.282) 0.673 12.125 ( 0.777 -1.280 -0.061) 1.498 12.212 ( 3.617 5.719 3.631) 7.679 12.652 ( 7.818 -1.271 2.413) 8.280 13.044 ( -1.568 -1.845 1.189) 2.698 13.221 ( 6.806 1.414 4.029) 8.034 13.681 ( -1.275 0.788 1.608) 2.199 13.725 ( -0.249 2.475 -1.203) 2.763 14.047 ( -6.141 4.538 -3.677) 8.475 14.144 ( -5.691 -0.897 -2.901) 6.451 14.200 ( 0.466 -0.085 -0.583) 0.751 14.476 ( 3.731 1.160 0.155) 3.910 14.584 ( -3.285 3.573 0.831) 4.925 14.674 ( -0.507 1.845 2.997) 3.556 14.806 ( -1.464 -2.791 -0.421) 3.180 15.133 ( 4.284 8.660 -2.060) 9.879 16.391 ( 0.559 -1.033 -0.845) 1.447 16.436 ( 2.512 -0.497 1.188) 2.823 20.180 ( -0.474 -1.908 -0.348) 1.997 20.238 ( 1.885 -1.216 1.072) 2.486 20.343 ( -2.715 -0.494 -1.624) 3.202 20.420 ( 0.514 -0.252 0.950) 1.109 24.427 ( -0.212 1.344 -1.499) 2.025 24.494 ( 0.745 0.646 1.103) 1.480 24.688 ( 0.297 -0.430 -0.585) 0.784 24.797 ( 3.655 1.402 -0.407) 3.936 26.178 ( -1.909 -3.730 5.032) 6.548 26.301 ( -0.832 -2.812 -0.525) 2.979 26.379 ( -3.532 2.138 1.952) 4.567 26.577 ( 1.029 3.950 -2.993) 5.062 27.028 ( 1.991 2.051 -0.109) 2.860 27.041 ( 1.458 0.203 -1.116) 1.848 27.338 ( -0.785 -2.181 4.263) 4.852 27.484 ( 0.130 -1.332 -7.150) 7.274 28.238 ( -0.724 -0.025 0.065) 0.727 28.252 ( -1.050 1.166 -1.293) 2.033 28.352 ( 0.464 -0.468 -0.261) 0.709 28.485 ( 6.628 -6.659 4.932) 10.611 28.856 ( -2.888 0.862 1.277) 3.273 28.953 ( -0.721 -1.470 -4.403) 4.697 29.323 ( -3.349 -1.949 2.857) 4.814 29.520 ( -0.129 -0.463 -1.311) 1.396 ======================= Grid point 212 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -1.383 0.396 -4.502) 4.726 1.575 ( 1.102 -0.362 -0.707) 1.359 1.933 ( -1.844 -1.103 -0.217) 2.160 2.070 ( 2.251 1.129 -1.515) 2.938 2.312 ( 0.583 -2.129 1.760) 2.823 2.455 ( 2.332 1.655 3.204) 4.295 2.487 ( -0.723 1.304 -4.546) 4.785 2.594 ( -2.545 3.533 -1.795) 4.710 2.675 ( -0.412 -0.822 -0.857) 1.257 2.856 ( 1.164 0.045 -2.139) 2.436 2.972 ( -1.106 0.758 3.461) 3.711 3.053 ( -0.263 -2.201 -4.828) 5.313 3.212 ( -2.191 -0.908 1.784) 2.968 3.342 ( 5.073 -9.075 11.786) 15.716 3.455 ( 3.563 2.052 1.795) 4.486 3.590 ( -1.123 6.298 -2.715) 6.949 3.661 ( -3.542 5.292 -2.841) 6.973 3.696 ( 0.039 1.334 -1.888) 2.312 3.748 ( -2.075 -4.433 -3.577) 6.062 3.867 ( 1.452 -1.670 -2.336) 3.217 3.906 ( 0.910 -2.178 -0.173) 2.367 4.015 ( -0.761 0.829 -0.131) 1.133 4.046 ( 0.383 -0.426 -0.710) 0.912 4.245 ( -3.681 2.517 -3.978) 5.976 4.383 ( 2.285 -0.237 2.129) 3.132 4.599 ( 3.774 -3.111 4.936) 6.949 4.751 ( -3.159 0.244 5.618) 6.450 4.876 ( -0.539 3.022 -1.918) 3.620 4.963 ( -3.103 -1.536 1.529) 3.785 5.169 ( 1.480 0.704 -0.464) 1.703 5.392 ( 1.007 3.123 6.984) 7.717 5.472 ( -2.436 -4.381 -2.260) 5.499 5.490 ( -0.986 -3.042 6.637) 7.367 5.589 ( -1.188 0.968 0.351) 1.572 5.650 ( -0.104 1.786 -7.058) 7.281 5.786 ( 0.232 0.979 2.959) 3.125 5.904 ( 1.089 0.616 -7.857) 7.956 6.256 ( 5.747 -1.675 1.970) 6.302 6.484 ( 2.435 0.845 1.030) 2.776 6.725 ( 1.255 0.916 5.664) 5.874 6.740 ( 9.995 -0.440 5.988) 11.660 6.871 ( -0.293 -1.179 -5.423) 5.558 6.913 ( -10.184 -0.757 -8.256) 13.132 7.037 ( 1.646 3.011 3.308) 4.766 7.138 ( -8.522 -1.772 -3.421) 9.352 7.306 ( 4.283 0.436 2.744) 5.105 7.353 ( -3.204 1.076 -2.008) 3.931 7.481 ( -2.907 -0.755 -1.516) 3.364 7.845 ( 0.447 2.841 0.605) 2.939 7.953 ( 1.300 -3.317 4.764) 5.949 8.176 ( 3.507 0.372 -2.313) 4.218 8.259 ( 6.104 0.972 1.730) 6.418 8.395 ( -5.128 0.145 -3.239) 6.067 8.460 ( -4.571 -4.148 -1.713) 6.406 8.699 ( 1.629 2.663 0.102) 3.123 8.862 ( 1.097 -0.295 1.268) 1.702 10.066 ( 0.138 0.408 -0.290) 0.519 10.237 ( 0.802 -0.014 0.022) 0.802 10.467 ( -2.462 -0.993 -1.309) 2.960 10.802 ( 2.516 1.152 2.415) 3.672 11.302 ( -1.873 -0.917 -1.597) 2.627 11.448 ( 0.944 0.597 0.616) 1.275 11.473 ( -2.081 0.670 -1.555) 2.683 11.687 ( -3.514 0.438 -1.516) 3.852 11.843 ( 10.803 -1.937 6.891) 12.959 11.984 ( -10.677 1.126 -7.193) 12.923 12.094 ( -0.352 0.495 -0.725) 0.945 12.159 ( 1.637 2.115 1.575) 3.104 12.181 ( 0.048 -3.308 0.451) 3.339 12.688 ( 4.523 1.635 2.311) 5.336 13.064 ( -1.103 -0.890 0.184) 1.429 13.249 ( 3.814 -0.717 2.319) 4.521 13.674 ( -0.928 -0.427 0.901) 1.361 13.694 ( 0.541 0.364 -0.781) 1.017 13.949 ( -1.850 2.128 -1.640) 3.262 14.139 ( -3.457 -1.600 -2.034) 4.318 14.201 ( 0.183 0.488 -0.632) 0.820 14.469 ( 0.180 0.731 0.716) 1.039 14.542 ( 0.196 -0.537 -0.314) 0.652 14.659 ( 0.641 -0.134 1.998) 2.103 14.897 ( -0.286 -5.262 1.240) 5.414 15.000 ( 1.283 4.904 -2.984) 5.882 16.399 ( -0.604 0.341 0.328) 0.767 16.452 ( 0.526 -0.295 0.122) 0.615 20.195 ( -0.340 -0.194 -0.721) 0.821 20.265 ( 1.209 -0.380 1.152) 1.712 20.332 ( -1.300 0.376 -1.216) 1.819 20.425 ( 0.433 0.063 0.695) 0.821 24.408 ( 0.062 0.403 -0.735) 0.841 24.494 ( 0.127 -0.425 0.171) 0.476 24.694 ( -0.837 -0.329 -0.557) 1.058 24.791 ( 0.666 0.550 0.172) 0.881 26.230 ( 0.514 -1.350 5.373) 5.563 26.305 ( -2.928 0.551 4.076) 5.049 26.337 ( 1.657 1.852 -1.806) 3.072 26.557 ( 0.553 -1.435 -5.492) 5.703 27.007 ( 0.011 0.678 0.809) 1.055 27.045 ( 0.168 -0.290 -1.154) 1.202 27.363 ( -0.129 -0.296 3.822) 3.835 27.493 ( 0.343 0.439 -6.323) 6.347 28.220 ( -0.170 0.021 0.092) 0.194 28.241 ( 0.024 0.122 -0.352) 0.374 28.359 ( -1.120 0.070 -0.299) 1.161 28.616 ( 3.304 -2.958 3.302) 5.529 28.806 ( -2.877 2.961 -0.255) 4.136 28.956 ( 0.743 0.484 0.220) 0.914 29.325 ( -0.973 0.856 -1.218) 1.778 29.543 ( 0.857 -1.836 0.077) 2.028 ======================= Grid point 213 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.867 1.633 -2.642) 3.224 1.574 ( 1.013 1.609 -1.027) 2.161 1.897 ( 0.255 3.346 -1.349) 3.616 2.051 ( -2.048 2.262 1.083) 3.238 2.271 ( -7.456 3.856 -2.598) 8.787 2.339 ( -4.944 13.158 3.770) 14.553 2.365 ( -6.935 5.725 2.544) 9.345 2.471 ( 3.349 1.182 -0.896) 3.663 2.745 ( 2.335 1.343 0.088) 2.695 2.870 ( 0.767 -3.130 -0.430) 3.251 2.925 ( 0.677 2.811 -1.660) 3.334 3.158 ( 6.359 -5.552 0.236) 8.444 3.251 ( -12.276 3.383 -3.374) 13.173 3.268 ( -2.244 5.091 1.313) 5.717 3.372 ( 3.694 6.545 -3.901) 8.468 3.453 ( -2.256 2.228 8.224) 8.814 3.556 ( -5.331 3.910 -5.014) 8.297 3.635 ( 7.983 1.577 6.277) 10.277 3.830 ( -1.039 -3.143 -8.033) 8.688 3.904 ( -0.090 0.226 -0.374) 0.446 4.032 ( 2.520 -0.112 -0.504) 2.572 4.056 ( -5.633 -4.383 -2.011) 7.415 4.203 ( 7.896 -14.850 -2.586) 17.016 4.300 ( 1.694 -8.028 3.938) 9.101 4.480 ( 2.434 -7.373 0.119) 7.765 4.626 ( -3.378 1.236 0.054) 3.598 4.839 ( 3.864 -5.394 8.742) 10.975 4.866 ( 2.616 -0.865 -1.205) 3.007 4.978 ( -3.369 -4.608 3.395) 6.642 5.174 ( 3.723 0.494 0.527) 3.792 5.312 ( 1.248 6.641 4.996) 8.404 5.496 ( -1.938 0.718 -1.358) 2.472 5.550 ( 0.861 -3.354 3.169) 4.694 5.593 ( 1.039 1.506 -6.939) 7.176 5.648 ( -0.166 -5.570 -0.815) 5.632 5.800 ( -2.109 -3.055 1.415) 3.973 5.874 ( -2.120 -0.474 -3.183) 3.854 6.282 ( -3.929 -1.779 -3.337) 5.453 6.498 ( 4.384 0.410 0.473) 4.428 6.642 ( -0.014 5.252 4.538) 6.941 6.858 ( -12.663 -4.316 -6.311) 14.792 6.881 ( 3.647 0.935 -1.034) 3.904 6.939 ( 13.687 -5.534 3.744) 15.231 7.002 ( -0.853 -0.747 3.475) 3.655 7.215 ( -2.962 -7.254 -3.856) 8.733 7.349 ( -2.095 -4.448 0.724) 4.969 7.382 ( 3.707 -3.403 4.527) 6.769 7.510 ( -4.797 -5.276 -1.950) 7.393 7.790 ( 4.958 4.502 5.536) 8.688 8.007 ( -0.730 -1.454 -2.869) 3.298 8.146 ( -0.779 2.800 -2.643) 3.928 8.246 ( 6.675 3.675 -0.802) 7.662 8.432 ( 1.317 -4.304 -0.588) 4.539 8.524 ( -5.672 -5.630 -5.147) 9.506 8.669 ( 2.450 2.212 4.170) 5.318 8.845 ( -4.471 0.561 -0.654) 4.553 9.994 ( 0.438 6.760 0.286) 6.781 10.166 ( -1.706 6.455 -0.432) 6.691 10.466 ( 0.513 0.683 -1.451) 1.683 10.782 ( 0.228 2.357 2.856) 3.710 11.251 ( -3.195 4.077 -1.664) 5.440 11.355 ( -1.819 6.908 2.197) 7.473 11.434 ( -1.251 2.532 0.083) 2.826 11.718 ( 1.319 -3.230 1.411) 3.764 11.872 ( -10.088 3.664 -8.220) 13.519 11.919 ( 12.526 1.561 6.150) 14.041 12.110 ( 1.224 -1.369 0.136) 1.842 12.129 ( -0.047 1.568 -0.199) 1.582 12.259 ( -1.464 -5.159 -0.797) 5.422 12.643 ( 1.080 4.785 2.795) 5.646 13.067 ( -0.345 -0.006 -1.271) 1.317 13.290 ( -2.359 -2.895 -1.701) 4.103 13.684 ( 1.102 -0.856 2.370) 2.750 13.720 ( 1.036 -2.184 -1.421) 2.804 13.952 ( 6.494 -0.806 2.508) 7.008 14.166 ( -0.183 -2.146 -0.009) 2.154 14.183 ( -2.390 -0.034 -1.945) 3.081 14.461 ( -1.663 -0.450 1.491) 2.278 14.598 ( 3.523 -3.495 -0.132) 4.964 14.681 ( 0.034 -1.691 1.658) 2.368 14.871 ( -0.782 2.559 -6.977) 7.472 15.088 ( -0.451 -8.739 2.908) 9.221 16.370 ( -1.858 1.777 1.181) 2.830 16.454 ( -1.442 -0.103 -0.570) 1.554 20.186 ( -0.169 1.131 -1.028) 1.538 20.260 ( -1.336 0.871 -0.722) 1.751 20.314 ( 1.754 1.470 0.930) 2.470 20.425 ( 0.487 0.112 0.376) 0.626 24.412 ( 0.347 -0.620 0.089) 0.716 24.512 ( -0.448 -1.418 -0.750) 1.666 24.688 ( -2.194 -0.052 -0.718) 2.310 24.785 ( -2.047 -0.428 0.815) 2.245 26.189 ( 1.019 5.213 4.401) 6.898 26.309 ( 2.848 2.800 -3.305) 5.184 26.340 ( 0.779 -4.516 6.331) 7.816 26.612 ( -0.117 -3.823 -5.293) 6.531 27.002 ( -1.354 -0.360 1.362) 1.954 27.054 ( -1.532 -1.012 -1.305) 2.252 27.353 ( 0.407 1.406 4.120) 4.372 27.465 ( 0.784 2.266 -6.589) 7.011 28.227 ( 0.885 1.486 0.962) 1.979 28.251 ( -0.168 -1.783 -0.793) 1.959 28.345 ( -1.952 -0.654 0.482) 2.114 28.583 ( -6.849 6.447 -5.632) 10.964 28.752 ( 4.683 1.799 8.696) 10.040 28.962 ( 2.656 -0.464 -1.030) 2.886 29.276 ( 0.303 3.882 4.332) 5.825 29.593 ( 1.700 -2.319 -6.114) 6.756 ======================= Grid point 214 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.520 2.320 -0.174) 2.384 1.506 ( 2.498 6.186 1.476) 6.833 1.812 ( -0.126 6.487 -1.826) 6.740 1.911 ( -1.486 12.059 3.557) 12.660 2.050 ( -11.393 7.343 -0.291) 13.558 2.096 ( -9.092 7.809 -0.117) 11.985 2.272 ( -2.511 1.176 3.957) 4.832 2.488 ( 2.745 -1.074 2.250) 3.709 2.672 ( -0.343 4.390 -4.412) 6.233 2.849 ( 0.031 1.303 -2.924) 3.201 2.996 ( -2.489 4.076 0.772) 4.838 3.033 ( 6.298 1.194 3.291) 7.206 3.244 ( -4.730 1.623 3.225) 5.951 3.271 ( 6.990 1.734 -0.288) 7.207 3.297 ( 0.277 0.512 -2.707) 2.769 3.407 ( -0.463 1.568 4.951) 5.214 3.482 ( -5.509 0.964 -7.086) 9.027 3.641 ( 2.616 1.267 5.246) 5.998 3.838 ( -0.173 0.852 -5.886) 5.950 3.913 ( -1.666 -1.088 -4.424) 4.851 3.992 ( -1.895 1.328 -1.360) 2.684 4.140 ( -3.357 -4.763 -0.227) 5.831 4.385 ( 1.523 1.686 -2.449) 3.341 4.433 ( -2.238 1.881 1.653) 3.358 4.556 ( -5.652 -2.269 5.698) 8.340 4.659 ( -3.636 -9.403 -3.856) 10.794 4.883 ( 4.566 -4.627 1.388) 6.647 4.964 ( 5.012 -3.334 4.695) 7.634 5.136 ( 0.424 -4.004 -2.914) 4.970 5.209 ( 6.437 2.973 -0.637) 7.120 5.245 ( 5.036 -7.803 8.043) 12.286 5.401 ( -4.123 4.356 -5.049) 7.839 5.610 ( 1.107 -3.818 0.389) 3.994 5.663 ( 5.098 -4.256 2.090) 6.962 5.773 ( 0.649 -7.496 -3.812) 8.435 5.896 ( 1.800 -7.052 -2.738) 7.776 5.938 ( -3.960 -5.327 3.594) 7.548 6.305 ( -5.088 -3.003 -5.508) 8.077 6.501 ( 4.428 2.529 4.325) 6.686 6.590 ( 2.391 -0.691 2.770) 3.724 6.840 ( -2.618 -0.172 2.156) 3.395 6.903 ( -3.349 -2.531 -5.937) 7.271 7.057 ( -0.041 -5.576 7.950) 9.710 7.132 ( 8.908 -4.978 -2.194) 10.438 7.361 ( 0.484 -9.046 -5.800) 10.756 7.436 ( 0.636 -2.781 4.250) 5.119 7.501 ( -2.560 -7.995 1.901) 8.608 7.635 ( -5.372 -9.723 -3.294) 11.586 7.768 ( 10.844 0.857 9.883) 14.697 7.966 ( 2.712 5.568 -5.924) 8.571 8.119 ( -3.985 -1.714 2.922) 5.231 8.219 ( 3.564 1.526 -3.004) 4.904 8.498 ( -7.838 -3.431 -3.224) 9.144 8.600 ( -2.292 2.383 -6.787) 7.550 8.641 ( 4.630 -3.877 3.911) 7.194 8.815 ( -5.032 -0.956 -1.496) 5.336 9.826 ( 0.965 10.437 0.631) 10.500 9.991 ( -3.682 9.111 -0.750) 9.855 10.441 ( 2.127 2.654 -1.177) 3.599 10.696 ( -3.449 5.573 1.640) 6.756 11.145 ( -0.472 4.874 -0.013) 4.897 11.199 ( -0.412 8.228 4.982) 9.628 11.353 ( -1.956 4.565 0.647) 5.009 11.692 ( -8.805 6.923 -8.671) 14.165 11.816 ( 5.871 -2.496 3.945) 7.500 11.960 ( 12.983 2.090 5.285) 14.173 12.099 ( -0.842 0.822 -1.278) 1.737 12.144 ( 2.379 -0.940 -0.258) 2.571 12.343 ( -4.391 -4.104 -1.787) 6.271 12.528 ( -0.194 6.512 4.782) 8.082 13.059 ( 0.437 0.957 -3.012) 3.191 13.331 ( -9.428 -5.165 -5.911) 12.268 13.727 ( 2.436 -2.194 3.484) 4.784 13.781 ( 1.646 -3.125 -1.119) 3.705 14.041 ( 12.589 -1.683 4.176) 13.370 14.160 ( -0.726 0.185 2.043) 2.176 14.243 ( -2.440 -5.324 -3.267) 6.706 14.470 ( -3.043 -1.877 1.315) 3.810 14.675 ( 1.224 -2.122 5.156) 5.708 14.757 ( 6.403 -4.817 -1.192) 8.101 14.861 ( -1.273 -2.509 -7.460) 7.972 15.251 ( -3.879 -8.630 1.415) 9.567 16.315 ( -2.141 2.538 2.306) 4.042 16.433 ( -2.948 0.978 -1.334) 3.380 20.142 ( 0.344 3.401 -1.778) 3.853 20.211 ( -2.924 3.031 -1.997) 4.661 20.305 ( 3.384 0.875 3.127) 4.690 20.428 ( 0.065 -0.176 -0.442) 0.480 24.435 ( 0.536 -1.420 0.861) 1.745 24.540 ( -1.217 -1.962 -1.622) 2.822 24.673 ( -2.480 -0.027 -0.479) 2.526 24.782 ( -4.069 -1.049 1.125) 4.350 26.090 ( 1.294 5.461 4.368) 7.112 26.252 ( 0.201 3.671 -4.862) 6.095 26.471 ( 4.528 -6.658 8.583) 11.768 26.689 ( 2.265 -3.439 -4.705) 6.253 26.998 ( -2.076 -0.086 0.981) 2.298 27.057 ( -3.254 -0.689 -0.811) 3.424 27.325 ( -0.477 1.643 5.481) 5.741 27.423 ( 1.810 2.008 -8.352) 8.779 28.139 ( 0.437 6.955 1.088) 7.053 28.304 ( 0.518 -2.890 -0.250) 2.947 28.331 ( -4.406 9.479 -3.325) 10.969 28.402 ( -2.948 -1.559 -0.537) 3.378 28.748 ( 5.065 2.764 7.589) 9.534 29.014 ( 2.895 -3.060 -4.230) 5.970 29.182 ( 0.247 6.252 11.401) 13.005 29.637 ( 0.251 -1.709 -12.208) 12.330 ======================= Grid point 215 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.065 9.878 10.698) 14.562 1.401 ( 4.952 9.096 5.012) 11.506 1.558 ( -3.810 11.737 0.501) 12.351 1.748 ( -0.507 5.313 -1.409) 5.520 1.872 ( -12.255 5.525 -7.863) 15.573 1.899 ( -4.249 8.102 0.841) 9.187 2.302 ( 2.651 -3.783 6.434) 7.920 2.538 ( 2.756 0.100 2.834) 3.955 2.592 ( -3.792 2.066 -3.078) 5.303 2.810 ( 3.097 6.380 3.305) 7.825 2.847 ( -0.586 1.965 0.824) 2.210 3.041 ( 1.967 9.708 9.501) 13.725 3.174 ( -1.701 1.284 -2.058) 2.963 3.242 ( 4.291 0.068 -2.049) 4.756 3.293 ( -6.257 1.121 -6.822) 9.324 3.404 ( 3.353 -0.671 4.864) 5.945 3.414 ( -3.142 2.596 0.135) 4.078 3.648 ( -0.953 -0.597 -3.113) 3.310 3.832 ( 0.797 0.553 0.417) 1.056 3.891 ( -3.678 -1.059 -6.964) 7.946 3.998 ( -3.069 -2.165 -2.912) 4.752 4.119 ( -8.231 4.789 -4.374) 10.479 4.248 ( -1.773 3.158 -1.894) 4.087 4.337 ( -3.109 1.672 0.003) 3.530 4.637 ( 3.566 -3.129 3.495) 5.893 4.815 ( -3.942 -7.921 -2.435) 9.177 4.977 ( 6.232 0.731 0.602) 6.304 5.062 ( 2.952 -3.772 3.662) 6.029 5.162 ( 1.731 1.018 -1.886) 2.755 5.233 ( 1.659 -3.042 -0.519) 3.503 5.363 ( 0.679 -0.944 0.634) 1.325 5.428 ( -0.948 -5.460 -1.162) 5.662 5.728 ( 1.668 -7.899 4.775) 9.380 5.813 ( 9.452 -6.106 -3.569) 11.805 5.942 ( -4.219 -8.724 4.022) 10.492 5.984 ( -2.039 -1.775 5.699) 6.308 6.030 ( 6.120 -4.201 -7.428) 10.501 6.316 ( -4.395 -1.738 -7.600) 8.950 6.484 ( 2.952 1.172 7.871) 8.488 6.665 ( 1.671 -3.268 -2.211) 4.285 6.842 ( -0.103 -0.737 5.887) 5.934 6.941 ( 0.913 -2.931 -3.270) 4.485 7.158 ( 2.568 -3.127 8.074) 9.031 7.337 ( 5.513 -11.411 -0.228) 12.675 7.437 ( 0.588 0.276 -1.624) 1.749 7.520 ( -1.128 -4.419 -1.850) 4.922 7.629 ( 1.234 -5.927 0.992) 6.135 7.744 ( -0.550 0.638 -1.566) 1.778 7.906 ( 3.359 -8.157 1.834) 9.010 7.950 ( 1.414 -6.704 0.341) 6.860 8.094 ( 3.404 5.251 7.324) 9.633 8.260 ( -5.842 -5.977 0.547) 8.375 8.442 ( -5.829 2.832 -11.614) 13.300 8.550 ( -11.966 -4.251 -8.327) 15.185 8.765 ( 4.401 -3.144 -0.294) 5.416 8.815 ( -1.284 -1.430 -0.335) 1.951 9.613 ( 1.581 11.955 1.707) 12.179 9.788 ( -5.632 8.193 -2.180) 10.179 10.392 ( 3.283 3.795 -0.554) 5.048 10.546 ( -5.224 6.296 0.789) 8.219 11.033 ( 0.629 8.246 4.867) 9.596 11.064 ( 1.103 4.481 1.328) 4.802 11.249 ( -1.257 4.804 1.887) 5.312 11.471 ( -6.041 10.117 -7.003) 13.707 11.907 ( 7.098 -2.446 1.915) 7.748 11.999 ( 8.359 0.954 4.396) 9.492 12.100 ( 2.387 -0.593 -0.148) 2.464 12.192 ( 10.270 -0.869 1.411) 10.403 12.296 ( -7.495 4.544 -0.621) 8.787 12.457 ( 1.088 1.658 5.386) 5.739 13.030 ( 0.739 1.996 -2.974) 3.657 13.370 ( -14.469 -6.158 -7.831) 17.567 13.790 ( 2.124 -2.394 1.369) 3.481 13.853 ( 0.572 -3.197 1.314) 3.504 14.130 ( 6.318 -0.057 4.965) 8.036 14.206 ( 7.778 -4.028 1.101) 8.829 14.316 ( -3.990 -3.775 -4.786) 7.285 14.504 ( -5.670 -4.205 1.265) 7.171 14.738 ( 2.384 -3.590 7.648) 8.779 14.902 ( 13.497 -2.173 0.119) 13.671 14.950 ( -2.395 -9.042 -5.002) 10.607 15.362 ( -9.094 -6.381 -0.987) 11.153 16.258 ( -0.981 2.217 3.442) 4.210 16.377 ( -3.441 2.670 -2.054) 4.815 20.059 ( 1.130 5.355 -2.434) 5.990 20.107 ( -2.982 5.400 -1.582) 6.368 20.322 ( 2.807 -0.317 3.332) 4.368 20.429 ( -0.784 -0.192 -1.399) 1.615 24.470 ( 0.697 -1.622 1.487) 2.308 24.566 ( -2.747 -1.818 -2.431) 4.094 24.666 ( -0.206 -0.208 0.481) 0.563 24.777 ( -5.298 -1.226 1.051) 5.538 26.006 ( 1.852 4.017 4.139) 6.057 26.173 ( -2.148 3.320 -5.564) 6.826 26.651 ( 2.095 -8.736 13.020) 15.819 26.762 ( 7.335 -1.223 -6.391) 9.805 26.980 ( -1.157 0.608 -0.563) 1.423 27.038 ( -4.398 0.147 0.180) 4.404 27.288 ( -1.396 1.429 6.809) 7.096 27.419 ( 2.154 -0.797 -9.301) 9.581 28.001 ( 0.411 6.471 0.711) 6.522 28.076 ( -3.084 10.941 -1.970) 11.537 28.366 ( 3.065 -1.678 0.786) 3.581 28.460 ( -2.007 -3.385 -0.255) 3.943 28.703 ( 8.032 6.348 5.876) 11.804 29.013 ( -10.033 4.822 3.030) 11.537 29.135 ( 10.632 -1.428 4.103) 11.485 29.638 ( -5.722 -0.197 -15.403) 16.433 ======================= Grid point 216 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.121 8.721 20.315) 22.326 1.170 ( 5.781 13.799 20.255) 25.181 1.443 ( -2.305 0.807 -11.955) 12.202 1.628 ( -3.666 7.783 -9.017) 12.463 1.694 ( -4.987 3.781 -4.674) 7.811 1.736 ( 0.192 6.662 3.400) 7.482 2.316 ( -3.958 8.471 18.283) 20.535 2.484 ( 10.255 -2.855 4.811) 11.681 2.644 ( -4.897 -5.308 -0.012) 7.222 2.764 ( -1.537 0.158 -3.795) 4.098 2.827 ( -1.396 0.409 0.795) 1.658 2.903 ( 3.136 3.999 5.281) 7.329 3.056 ( -1.643 6.042 -6.017) 8.684 3.116 ( -14.398 6.875 -22.245) 27.375 3.337 ( 4.275 -1.496 6.619) 8.020 3.378 ( 3.407 0.782 8.610) 9.293 3.458 ( 1.160 -2.453 -0.222) 2.723 3.593 ( -3.978 3.698 -4.293) 6.923 3.852 ( -0.190 -2.604 -1.860) 3.206 3.900 ( 0.533 -0.277 -7.464) 7.488 4.038 ( -2.025 -3.869 0.699) 4.423 4.061 ( -1.904 -3.503 -0.174) 3.991 4.243 ( 2.582 -0.200 1.614) 3.052 4.303 ( -4.605 0.526 0.610) 4.675 4.713 ( 8.196 -1.426 -1.161) 8.400 4.862 ( -7.661 -1.045 -2.674) 8.181 4.956 ( 6.959 4.787 -2.190) 8.726 5.080 ( -7.206 1.391 -2.080) 7.628 5.206 ( 4.567 -3.435 5.018) 7.605 5.304 ( 2.018 -2.893 0.630) 3.583 5.378 ( 0.480 0.445 0.829) 1.056 5.461 ( -2.504 0.007 -4.939) 5.538 5.847 ( -0.401 -1.245 6.715) 6.841 5.923 ( 1.948 1.509 -3.209) 4.046 6.050 ( -6.054 -9.892 4.408) 12.407 6.072 ( 10.728 -7.255 -5.374) 14.021 6.182 ( 1.022 -6.974 0.382) 7.059 6.320 ( -2.842 -1.056 -4.265) 5.233 6.501 ( 0.864 -1.309 6.348) 6.539 6.679 ( -1.892 1.169 -8.584) 8.867 6.887 ( 4.250 -1.721 9.284) 10.354 7.019 ( 0.881 -4.412 -1.721) 4.817 7.234 ( 4.963 -2.131 6.464) 8.423 7.426 ( -2.348 1.551 -1.341) 3.118 7.442 ( -0.930 3.695 2.820) 4.740 7.536 ( 0.934 6.114 -2.652) 6.730 7.728 ( 5.192 -2.169 3.216) 6.481 7.802 ( 7.032 -6.506 -1.103) 9.643 7.951 ( -7.158 3.962 0.793) 8.220 8.065 ( -8.632 -6.630 -2.854) 11.252 8.079 ( 4.133 -3.325 4.924) 7.237 8.341 ( -5.614 -7.348 -9.612) 13.338 8.477 ( -2.776 -7.777 -2.142) 8.531 8.581 ( -8.237 -5.145 -6.256) 11.552 8.776 ( 3.412 2.001 1.326) 4.172 8.861 ( -2.541 -1.415 -2.227) 3.663 9.404 ( 5.759 10.351 5.072) 12.885 9.616 ( -8.328 4.900 -5.008) 10.883 10.343 ( 4.240 3.122 0.278) 5.272 10.413 ( -5.059 3.773 0.458) 6.328 10.891 ( 2.017 6.524 7.087) 9.842 10.995 ( -0.087 3.060 -2.555) 3.988 11.159 ( -1.040 3.593 2.509) 4.504 11.254 ( -2.758 7.777 -4.897) 9.596 11.998 ( 4.754 -2.840 -0.434) 5.555 12.026 ( 0.044 -1.007 0.458) 1.107 12.125 ( 2.482 0.079 -0.299) 2.501 12.162 ( -5.069 3.510 2.250) 6.564 12.332 ( 22.500 -1.586 3.905) 22.892 12.423 ( 2.205 2.659 4.150) 5.399 13.016 ( 8.214 0.779 2.009) 8.492 13.371 ( -19.245 -4.134 -7.974) 21.238 13.846 ( 3.871 -1.637 -0.346) 4.217 13.895 ( -3.806 -1.630 2.730) 4.960 14.166 ( 3.084 -0.848 5.754) 6.583 14.324 ( -1.827 -2.006 -5.567) 6.193 14.373 ( 10.230 -3.551 -0.428) 10.837 14.542 ( -10.323 -3.758 0.383) 10.992 14.864 ( 6.570 -6.194 9.083) 12.808 15.000 ( 6.168 -2.153 -0.925) 6.598 15.144 ( 7.098 -7.360 0.953) 10.269 15.388 ( -12.701 -3.473 -3.704) 13.679 16.224 ( 0.033 1.023 2.925) 3.099 16.294 ( -2.168 3.648 -2.100) 4.734 19.948 ( 1.339 6.415 -1.486) 6.720 19.981 ( -3.016 4.770 -1.792) 5.922 20.347 ( 2.275 -0.416 3.149) 3.907 20.424 ( -1.458 -0.086 -2.002) 2.478 24.504 ( 1.122 -1.071 1.777) 2.359 24.572 ( -3.737 -0.999 -2.446) 4.577 24.684 ( 4.259 -0.373 1.375) 4.491 24.765 ( -5.821 -0.808 0.626) 5.910 25.967 ( 2.893 1.505 3.684) 4.920 26.101 ( -3.749 1.781 -5.171) 6.631 26.781 ( -3.214 -3.224 5.782) 7.359 26.825 ( 3.335 -0.704 -3.118) 4.620 26.988 ( 2.165 -1.936 -0.346) 2.925 27.016 ( -2.407 -0.520 0.231) 2.473 27.296 ( 0.292 -3.524 10.060) 10.663 27.458 ( 3.754 -1.335 -8.727) 9.593 27.911 ( 0.785 4.157 0.738) 4.294 27.925 ( -0.251 1.082 -0.067) 1.112 28.390 ( 4.493 2.301 3.343) 6.055 28.471 ( 2.496 3.523 -1.170) 4.473 28.614 ( 6.540 5.813 5.142) 10.149 28.828 ( -9.895 6.900 -1.252) 12.128 29.250 ( 11.071 -2.722 0.405) 11.408 29.545 ( -16.598 2.344 -11.341) 20.239 ======================= Grid point 218 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.660 -0.000 22.087) 22.247 1.148 ( 12.897 -0.000 25.439) 28.521 1.370 ( -5.588 0.000 -15.828) 16.786 1.406 ( -3.373 0.000 -21.669) 21.930 1.694 ( 3.692 -0.000 -2.424) 4.417 1.763 ( 7.539 -0.000 -3.044) 8.130 2.444 ( 23.647 -0.000 40.048) 46.508 2.474 ( -9.830 0.000 -4.293) 10.726 2.659 ( 0.096 -0.000 4.503) 4.504 2.663 ( -8.185 0.000 -17.811) 19.602 2.805 ( -1.132 0.000 -2.303) 2.566 2.899 ( 4.067 -0.000 -3.866) 5.611 2.935 ( 2.797 -0.000 -0.916) 2.943 3.016 ( 3.724 -0.000 -2.488) 4.479 3.394 ( 3.781 -0.000 8.518) 9.320 3.452 ( -4.409 0.000 -2.106) 4.886 3.462 ( -0.599 0.000 -3.798) 3.845 3.502 ( 2.146 -0.000 1.510) 2.624 3.849 ( -1.560 0.000 -3.914) 4.214 3.957 ( 2.477 -0.000 -6.966) 7.393 4.062 ( -5.355 0.000 3.278) 6.279 4.120 ( 0.820 -0.000 3.496) 3.591 4.145 ( -2.400 0.000 4.847) 5.409 4.379 ( 5.683 -0.000 -1.138) 5.796 4.705 ( -3.760 0.000 -2.627) 4.586 4.827 ( -11.238 0.000 -2.747) 11.569 4.916 ( 10.090 -0.000 -2.268) 10.341 5.118 ( 12.475 -0.000 -2.653) 12.754 5.298 ( -5.196 0.000 2.403) 5.725 5.311 ( -0.997 0.000 4.833) 4.934 5.328 ( -7.903 0.000 -6.333) 10.127 5.436 ( 5.846 -0.000 -1.712) 6.092 5.832 ( -3.589 0.000 5.125) 6.257 5.850 ( -5.265 0.000 3.565) 6.359 5.936 ( -17.437 0.000 8.926) 19.588 6.201 ( -0.767 0.000 -2.109) 2.245 6.279 ( -2.095 0.000 -6.809) 7.124 6.424 ( 4.397 -0.000 -6.120) 7.536 6.503 ( -1.136 0.000 5.807) 5.917 6.635 ( 2.292 -0.000 -2.444) 3.351 7.030 ( -4.711 0.000 -6.436) 7.976 7.049 ( 6.978 -0.000 8.946) 11.346 7.275 ( -8.706 0.000 -3.376) 9.338 7.314 ( -1.704 0.000 3.445) 3.844 7.316 ( -0.087 0.000 2.900) 2.901 7.454 ( 10.090 -0.000 4.408) 11.010 7.734 ( -9.362 0.000 -2.015) 9.576 7.838 ( 2.579 -0.000 5.046) 5.667 7.906 ( -9.739 0.000 0.725) 9.766 8.095 ( 8.373 -0.000 6.047) 10.328 8.256 ( -9.767 0.000 -12.785) 16.088 8.323 ( 9.337 -0.000 7.720) 12.115 8.605 ( -2.045 0.000 -4.517) 4.958 8.613 ( 7.582 -0.000 2.620) 8.022 8.804 ( 3.365 -0.000 -1.543) 3.702 8.832 ( 6.393 -0.000 3.661) 7.367 9.369 ( -9.038 0.000 -8.449) 12.372 9.526 ( 12.904 -0.000 6.940) 14.652 10.292 ( -3.975 0.000 -0.049) 3.975 10.402 ( 5.314 -0.000 0.753) 5.367 10.889 ( 3.946 -0.000 5.903) 7.100 10.934 ( -0.784 0.000 -6.228) 6.277 11.103 ( -0.004 0.000 3.704) 3.704 11.179 ( 1.513 -0.000 -2.340) 2.786 11.874 ( -11.246 0.000 5.591) 12.559 12.093 ( -0.636 0.000 -1.184) 1.344 12.106 ( -0.576 0.000 0.849) 1.026 12.206 ( 7.293 -0.000 -2.113) 7.593 12.313 ( -14.896 0.000 -3.739) 15.359 12.434 ( -7.295 0.000 -6.429) 9.724 13.025 ( -14.228 0.000 -6.581) 15.677 13.485 ( 22.709 -0.000 -1.650) 22.769 13.799 ( -5.228 0.000 1.288) 5.385 14.018 ( 10.746 -0.000 -1.106) 10.803 14.240 ( 1.917 -0.000 6.573) 6.847 14.259 ( -3.451 0.000 -5.300) 6.324 14.361 ( -10.311 0.000 -3.074) 10.759 14.672 ( 13.730 -0.000 -0.067) 13.730 14.888 ( -8.942 0.000 2.585) 9.308 15.120 ( -12.152 0.000 -12.917) 17.734 15.288 ( 4.967 -0.000 -1.357) 5.149 15.389 ( 11.270 -0.000 5.928) 12.734 16.237 ( 1.796 -0.000 0.405) 1.841 16.280 ( 5.919 -0.000 -2.976) 6.625 19.898 ( -0.160 0.000 -2.244) 2.249 19.903 ( 2.814 -0.000 2.121) 3.524 20.387 ( -2.258 0.000 -2.413) 3.305 20.396 ( 2.315 -0.000 2.562) 3.453 24.554 ( 0.777 -0.000 -2.751) 2.859 24.559 ( 3.000 -0.000 2.749) 4.069 24.691 ( -1.781 0.000 -1.192) 2.143 24.857 ( 12.009 -0.000 -3.539) 12.520 26.008 ( -3.083 0.000 -5.089) 5.950 26.033 ( 4.329 -0.000 4.112) 5.971 26.593 ( -14.602 0.000 8.886) 17.093 26.918 ( 4.679 -0.000 -1.642) 4.958 27.025 ( 0.981 -0.000 0.491) 1.097 27.029 ( 1.161 -0.000 -0.088) 1.164 27.272 ( -9.124 0.000 5.676) 10.746 27.570 ( 3.191 -0.000 -7.614) 8.256 27.902 ( -2.234 0.000 -1.255) 2.562 27.961 ( 1.740 -0.000 -1.883) 2.564 28.300 ( -8.198 0.000 -0.407) 8.209 28.379 ( -8.662 0.000 -4.034) 9.555 28.631 ( 0.957 -0.000 -2.651) 2.819 28.859 ( 24.538 -0.000 -3.751) 24.824 29.114 ( -17.258 0.000 8.084) 19.058 29.528 ( 12.760 -0.000 5.131) 13.753 ======================= Grid point 219 (98/141) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.935 -5.430 15.530) 16.712 1.375 ( -0.045 -4.535 -11.245) 12.125 1.422 ( 3.724 -13.932 6.539) 15.835 1.459 ( 5.428 -7.454 -4.083) 10.085 1.740 ( 6.551 -2.266 -3.581) 7.803 1.872 ( 6.765 -6.218 -5.688) 10.807 2.384 ( -10.470 2.782 1.262) 10.907 2.521 ( -1.580 1.654 2.029) 3.058 2.657 ( 4.222 1.683 4.897) 6.680 2.741 ( 4.694 -4.642 1.899) 6.869 2.839 ( 4.948 -4.597 6.458) 9.344 2.920 ( 9.428 -3.555 0.845) 10.111 3.028 ( 5.092 -5.289 -3.846) 8.288 3.082 ( -0.252 -4.272 0.489) 4.307 3.353 ( -4.893 4.604 -4.681) 8.188 3.424 ( 1.899 1.639 6.948) 7.387 3.453 ( -3.046 0.037 -1.526) 3.407 3.531 ( 1.215 -1.538 2.224) 2.964 3.846 ( 1.398 0.151 -4.550) 4.763 3.928 ( 0.715 2.909 -3.898) 4.916 3.977 ( 3.161 3.280 2.951) 5.428 4.116 ( 1.518 -1.603 2.667) 3.462 4.224 ( -0.768 -2.767 0.804) 2.982 4.402 ( 6.621 -0.142 -1.802) 6.863 4.665 ( -4.293 0.455 -3.897) 5.815 4.833 ( -9.047 -5.473 -1.212) 10.643 4.968 ( 10.311 2.920 -0.372) 10.723 5.134 ( 3.520 3.379 -0.390) 4.895 5.220 ( -5.171 2.976 -3.644) 6.991 5.236 ( -4.920 5.300 6.033) 9.418 5.336 ( -4.756 -2.362 -2.778) 5.993 5.499 ( 5.446 -1.661 -3.197) 6.530 5.749 ( -6.477 3.024 4.954) 8.697 5.802 ( -8.372 0.633 8.188) 11.727 5.850 ( -5.890 1.550 5.898) 8.479 6.155 ( -2.148 3.645 -6.078) 7.405 6.215 ( -3.881 4.361 -7.068) 9.167 6.398 ( 5.945 5.806 -1.923) 8.529 6.527 ( -1.294 -2.650 3.902) 4.891 6.631 ( 1.402 0.791 -2.832) 3.257 6.960 ( -2.223 4.642 1.686) 5.416 7.002 ( 0.894 2.877 -4.424) 5.352 7.230 ( -6.139 0.626 -1.499) 6.350 7.340 ( -3.254 1.421 8.644) 9.345 7.434 ( -4.947 -7.724 0.312) 9.177 7.541 ( 5.493 -4.049 -0.985) 6.895 7.650 ( -9.563 4.127 3.404) 10.958 7.713 ( -4.930 6.666 -0.636) 8.315 7.948 ( 1.159 -1.754 6.639) 6.964 8.082 ( 0.882 2.855 1.850) 3.514 8.165 ( 4.612 5.527 -2.556) 7.639 8.280 ( 3.005 3.504 -0.573) 4.651 8.546 ( 5.312 8.177 -1.992) 9.953 8.622 ( 11.847 6.117 3.205) 13.713 8.769 ( -1.921 -0.795 -1.757) 2.722 8.859 ( 2.292 2.503 1.271) 3.624 9.439 ( -2.863 -9.608 -4.768) 11.102 9.648 ( 9.464 -4.887 4.479) 11.555 10.297 ( -3.210 -2.614 0.302) 4.150 10.477 ( 5.147 -4.253 0.324) 6.685 10.955 ( 2.182 -3.635 1.851) 4.625 11.000 ( 1.040 -6.305 -4.544) 7.842 11.171 ( 1.471 -5.895 3.826) 7.180 11.239 ( 2.482 -5.158 -0.345) 5.734 11.818 ( -11.082 -0.995 4.495) 12.001 12.064 ( -1.592 1.296 -2.372) 3.137 12.103 ( -0.614 0.195 0.542) 0.842 12.168 ( -17.289 1.875 -5.764) 18.321 12.280 ( 6.382 -2.717 -0.789) 6.981 12.465 ( -7.576 -5.753 -6.938) 11.774 12.964 ( -5.918 -0.454 -1.049) 6.027 13.521 ( 16.747 7.416 -0.531) 18.323 13.773 ( -3.291 0.159 1.241) 3.521 14.000 ( 6.612 6.968 0.585) 9.624 14.173 ( -8.596 1.799 -1.859) 8.977 14.264 ( -3.859 0.995 -3.155) 5.083 14.310 ( 2.659 1.496 1.785) 3.535 14.691 ( 10.609 5.569 -0.786) 12.008 14.824 ( -7.289 1.173 0.381) 7.393 14.989 ( -14.534 3.637 -10.908) 18.532 15.089 ( 4.405 14.543 5.563) 16.182 15.498 ( 9.600 1.072 0.440) 9.670 16.288 ( 2.858 -3.064 0.914) 4.289 16.318 ( 5.132 -0.552 -2.460) 5.718 19.929 ( -0.202 -3.911 -0.068) 3.916 20.002 ( 2.415 -5.922 -0.290) 6.402 20.367 ( -2.544 0.546 -2.331) 3.493 20.408 ( 1.945 0.198 2.153) 2.909 24.545 ( 1.380 1.522 -2.647) 3.350 24.564 ( 1.974 1.156 2.835) 3.643 24.686 ( 1.065 0.281 -0.802) 1.363 24.897 ( 10.578 2.529 -4.273) 11.685 26.010 ( -2.002 -1.693 -4.187) 4.940 26.060 ( 2.828 -0.862 4.035) 5.003 26.520 ( -11.969 -0.434 11.783) 16.802 26.944 ( -4.578 6.519 -1.688) 8.143 26.962 ( 3.264 -1.721 -1.911) 4.155 27.062 ( 3.984 -1.692 0.014) 4.329 27.227 ( -4.039 -0.778 5.791) 7.104 27.540 ( 1.717 3.913 -9.195) 10.139 27.916 ( 0.061 -2.953 -0.335) 2.973 27.940 ( 0.576 -1.376 -0.866) 1.725 28.345 ( -6.731 -6.260 0.735) 9.222 28.406 ( -7.747 -6.865 -1.748) 10.498 28.609 ( 1.620 1.905 0.546) 2.560 29.036 ( -4.250 2.147 8.111) 9.405 29.102 ( 7.583 -9.822 -12.536) 17.639 29.562 ( 9.183 3.432 5.412) 11.198 ======================= Grid point 220 (99/141) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.478 -3.596 4.919) 6.112 1.425 ( -5.237 -4.203 -5.936) 8.962 1.677 ( 10.353 -12.045 -4.144) 16.414 1.815 ( 9.566 -15.394 6.515) 19.260 1.845 ( 9.666 -3.449 -0.160) 10.264 2.055 ( 7.000 -7.759 -5.935) 12.018 2.294 ( -4.925 0.155 0.083) 4.928 2.514 ( -3.187 -1.971 -0.548) 3.787 2.607 ( 3.948 3.743 1.366) 5.609 2.783 ( -4.566 -2.031 -1.777) 5.304 2.926 ( 1.033 -4.066 -2.242) 4.757 3.108 ( -11.105 -2.285 -3.514) 11.870 3.120 ( 1.306 -1.160 0.826) 1.932 3.197 ( 5.116 -2.299 7.133) 9.074 3.275 ( 7.048 -4.908 1.152) 8.665 3.396 ( 4.718 3.230 2.731) 6.337 3.438 ( -3.633 -0.756 4.937) 6.176 3.583 ( -1.713 -4.884 2.134) 5.598 3.834 ( 5.224 2.866 -2.698) 6.541 3.921 ( 4.919 -0.756 -1.050) 5.086 3.986 ( 4.533 0.792 1.191) 4.754 4.163 ( 2.569 -1.839 2.779) 4.208 4.273 ( 4.280 -2.850 -2.511) 5.722 4.474 ( 8.688 -2.055 -3.421) 9.561 4.662 ( -3.105 -1.347 -1.988) 3.926 4.854 ( 1.724 6.649 -0.917) 6.929 4.883 ( -4.241 1.637 1.249) 4.714 5.032 ( -6.437 6.783 8.752) 12.808 5.103 ( -4.772 2.428 -2.562) 5.936 5.172 ( -0.807 0.268 -5.681) 5.744 5.327 ( 0.072 1.895 1.488) 2.410 5.502 ( -1.831 3.882 -5.323) 6.838 5.660 ( -8.676 5.351 1.992) 10.386 5.697 ( -1.286 3.064 5.300) 6.256 5.826 ( -4.325 -0.486 7.607) 8.764 5.990 ( -6.714 8.589 -6.544) 12.715 6.114 ( -0.619 3.487 -6.829) 7.692 6.321 ( 5.484 4.646 0.244) 7.192 6.561 ( -3.666 -1.344 -3.446) 5.208 6.628 ( 3.794 1.608 2.010) 4.585 6.860 ( -1.631 3.826 3.729) 5.586 6.966 ( 1.525 1.693 -6.710) 7.087 7.116 ( -5.034 6.734 6.348) 10.535 7.303 ( -2.786 1.249 -0.483) 3.092 7.351 ( -8.278 5.651 -1.788) 10.182 7.569 ( 6.289 5.344 3.970) 9.158 7.592 ( -0.762 2.402 -1.016) 2.717 7.679 ( -7.195 -6.884 1.522) 10.073 7.841 ( -0.811 9.644 4.662) 10.743 7.999 ( 0.222 9.608 1.387) 9.710 8.073 ( -4.651 -1.788 -0.967) 5.076 8.352 ( 6.549 12.521 -1.372) 14.196 8.405 ( 1.322 -9.156 -3.369) 9.845 8.591 ( 14.722 5.727 6.751) 17.179 8.753 ( -3.492 1.682 -4.261) 5.760 8.831 ( 2.550 0.630 0.805) 2.747 9.634 ( 0.355 -10.584 -1.683) 10.723 9.826 ( 5.023 -8.375 1.601) 9.896 10.344 ( -2.106 -3.373 1.132) 4.134 10.614 ( 4.754 -6.219 0.194) 7.830 11.049 ( 1.331 -4.854 0.053) 5.033 11.150 ( 1.293 -7.815 -5.056) 9.397 11.293 ( 0.928 -5.244 -1.289) 5.479 11.419 ( 7.229 -9.146 7.884) 14.073 11.789 ( -10.314 -2.555 1.222) 10.696 11.996 ( -13.639 0.905 -8.729) 16.219 12.084 ( 0.229 0.095 -0.118) 0.274 12.111 ( -2.571 -0.911 1.197) 2.979 12.364 ( 5.041 -1.049 1.849) 5.471 12.523 ( -4.996 -4.748 -6.519) 9.487 12.966 ( -1.734 -1.753 2.436) 3.466 13.439 ( 14.293 9.623 3.737) 17.631 13.744 ( -1.994 1.462 1.670) 2.983 13.880 ( 1.083 6.306 1.053) 6.485 14.088 ( -13.550 -0.149 -8.184) 15.830 14.212 ( 0.425 2.324 -0.102) 2.365 14.286 ( 3.116 3.610 2.332) 5.308 14.606 ( 4.732 6.549 -2.067) 8.340 14.745 ( -8.985 2.644 -1.088) 9.429 14.831 ( -4.388 5.247 0.247) 6.844 14.888 ( 2.780 8.042 0.507) 8.524 15.463 ( 5.823 6.578 -1.396) 8.896 16.341 ( 2.832 -1.150 -2.408) 3.891 16.386 ( 4.566 -2.466 2.322) 5.685 20.024 ( -0.340 -5.339 0.624) 5.386 20.126 ( 2.150 -5.086 0.039) 5.522 20.335 ( -3.162 0.660 -2.321) 3.977 20.414 ( 0.970 0.160 1.622) 1.896 24.511 ( 1.492 2.594 -2.273) 3.757 24.546 ( 0.984 1.589 2.433) 3.068 24.690 ( 2.583 0.464 -0.097) 2.627 24.893 ( 7.789 3.228 -3.201) 9.018 26.039 ( -1.427 -2.524 0.221) 2.908 26.122 ( 0.628 -4.114 0.262) 4.170 26.465 ( -8.261 0.727 11.640) 14.292 26.775 ( -5.382 6.168 -4.675) 9.427 27.019 ( 2.779 -1.848 -1.496) 3.657 27.116 ( 5.481 -0.024 -1.019) 5.575 27.246 ( -1.139 -1.930 6.165) 6.559 27.466 ( -0.446 2.696 -9.466) 9.853 28.005 ( -0.269 -7.012 -0.210) 7.020 28.086 ( 3.586 -9.950 1.806) 10.730 28.347 ( -2.948 1.007 -1.437) 3.431 28.489 ( 2.568 1.573 -0.301) 3.026 28.657 ( -6.617 -10.312 0.326) 12.257 28.959 ( -5.283 2.772 5.991) 8.455 29.254 ( 2.422 -3.024 -7.363) 8.320 29.533 ( 3.852 3.029 2.262) 5.397 ======================= Grid point 221 (100/141) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -1.624 -2.249 -0.118) 2.777 1.497 ( -2.453 -5.213 -0.096) 5.762 1.855 ( 8.263 0.032 -2.236) 8.560 2.037 ( 9.017 -9.540 -2.456) 13.355 2.154 ( 7.460 -12.194 1.580) 14.382 2.220 ( 9.171 -4.570 -0.669) 10.268 2.343 ( 3.168 -4.966 -1.573) 6.097 2.504 ( -4.970 -0.013 -5.499) 7.412 2.631 ( 2.498 -3.527 2.261) 4.877 2.828 ( -3.199 -6.443 -3.314) 7.920 2.974 ( -6.343 3.042 -0.452) 7.049 3.027 ( -0.602 -2.504 3.068) 4.005 3.158 ( -3.121 0.458 4.136) 5.201 3.187 ( -3.163 -1.856 -0.018) 3.668 3.352 ( 3.172 3.729 3.681) 6.125 3.438 ( 2.271 -5.517 1.043) 6.057 3.468 ( 0.494 -3.962 1.357) 4.217 3.696 ( -2.214 -5.772 -1.183) 6.294 3.802 ( 7.403 3.910 -0.999) 8.431 3.942 ( -1.355 1.704 -6.005) 6.387 3.990 ( 6.650 -0.269 3.659) 7.595 4.173 ( 3.116 2.820 0.001) 4.202 4.358 ( 0.089 4.827 -0.240) 4.834 4.484 ( -1.252 2.810 -2.472) 3.946 4.622 ( 1.247 6.382 2.706) 7.043 4.693 ( 6.969 7.886 2.508) 10.819 4.825 ( -6.559 7.028 2.644) 9.971 4.902 ( -4.122 -3.399 0.325) 5.353 5.072 ( -6.496 2.019 2.902) 7.395 5.181 ( -3.126 -5.459 -2.044) 6.615 5.305 ( 1.841 0.992 5.168) 5.575 5.334 ( -1.426 5.567 -7.867) 9.742 5.545 ( -2.586 5.320 3.487) 6.866 5.653 ( -2.281 0.223 2.537) 3.419 5.737 ( -1.996 3.855 -5.025) 6.640 5.859 ( -2.250 3.904 -0.395) 4.524 6.039 ( 1.195 4.638 -2.894) 5.596 6.275 ( 3.900 2.964 2.076) 5.321 6.551 ( -3.304 0.522 -6.222) 7.065 6.603 ( 0.259 -0.675 0.490) 0.873 6.802 ( 0.850 2.441 6.387) 6.890 6.930 ( 2.631 3.336 -0.776) 4.319 7.014 ( -0.830 1.688 0.760) 2.029 7.188 ( -4.831 5.981 -8.842) 11.717 7.246 ( -0.461 5.676 6.476) 8.623 7.478 ( -1.365 6.320 -1.381) 6.612 7.512 ( 2.206 4.871 2.525) 5.914 7.630 ( 1.551 7.353 1.977) 7.770 7.809 ( -6.129 -5.352 4.317) 9.211 7.867 ( -5.166 -0.108 -7.237) 8.892 8.087 ( -1.819 -0.651 4.883) 5.251 8.199 ( 3.130 4.566 -1.164) 5.657 8.480 ( -5.209 1.031 -0.813) 5.372 8.568 ( 12.473 5.295 5.622) 14.670 8.735 ( -2.573 -2.042 -8.203) 8.836 8.844 ( 5.321 0.487 2.599) 5.942 9.842 ( 1.122 -9.914 -1.093) 10.037 10.018 ( 1.358 -8.817 0.045) 8.922 10.395 ( -0.612 -2.575 2.028) 3.334 10.752 ( 2.756 -4.812 -0.267) 5.552 11.157 ( 1.620 -5.195 -0.173) 5.444 11.295 ( 1.246 -6.372 -4.561) 7.934 11.394 ( 2.090 -4.112 -1.045) 4.730 11.643 ( 10.780 -6.945 10.572) 16.619 11.781 ( -8.229 -1.734 -2.273) 8.712 11.905 ( -12.739 -0.966 -6.459) 14.316 12.104 ( 1.262 -1.161 -0.343) 1.749 12.116 ( -1.013 -0.395 0.641) 1.262 12.341 ( 0.688 4.683 2.075) 5.168 12.608 ( -0.604 -5.356 -4.395) 6.954 13.000 ( -0.630 -2.052 2.802) 3.529 13.351 ( 9.733 6.720 4.916) 12.809 13.698 ( -1.810 1.811 1.912) 3.195 13.783 ( -0.688 3.844 -1.428) 4.158 14.011 ( -12.856 -0.574 -10.112) 16.367 14.177 ( 2.983 2.878 4.235) 5.926 14.217 ( -0.618 3.039 -0.443) 3.133 14.535 ( 3.129 2.883 -1.067) 4.386 14.624 ( -7.744 3.518 0.120) 8.506 14.737 ( 1.813 4.280 6.001) 7.590 14.798 ( 1.042 2.554 -3.015) 4.086 15.331 ( 2.195 8.894 -3.091) 9.668 16.379 ( 2.581 -1.009 -1.175) 3.010 16.444 ( 3.260 -0.864 1.625) 3.744 20.119 ( 0.071 -4.153 0.627) 4.200 20.218 ( 2.645 -2.674 1.079) 3.913 20.309 ( -3.619 -0.424 -2.245) 4.280 20.416 ( -0.134 -0.115 0.844) 0.862 24.467 ( 1.388 2.516 -1.951) 3.473 24.520 ( 0.370 1.485 1.842) 2.395 24.697 ( 2.473 0.497 0.439) 2.561 24.867 ( 4.697 3.098 -2.273) 6.068 26.093 ( -1.632 -3.737 2.902) 5.004 26.208 ( -1.921 -4.669 -2.328) 5.559 26.405 ( -3.545 1.738 8.212) 9.112 26.651 ( -3.013 3.958 -3.535) 6.103 27.054 ( 2.440 -0.082 -1.456) 2.843 27.111 ( 4.861 3.488 -1.243) 6.111 27.286 ( -0.961 -2.555 5.097) 5.782 27.443 ( -1.865 -1.427 -7.971) 8.310 28.151 ( 0.046 -6.901 -0.596) 6.927 28.280 ( -1.677 -0.860 0.790) 2.043 28.333 ( 5.010 -5.163 3.023) 7.804 28.448 ( 4.941 2.173 0.156) 5.400 28.818 ( -4.749 -6.807 -7.119) 10.935 28.887 ( -4.905 0.200 4.527) 6.678 29.280 ( -0.636 -0.501 2.536) 2.663 29.509 ( -0.412 0.448 -1.304) 1.439 ======================= Grid point 222 (101/141) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 1.411 -2.771 -2.809) 4.190 1.570 ( 0.781 -2.255 0.033) 2.387 1.892 ( 4.801 -0.776 -0.301) 4.873 2.155 ( 6.461 1.730 -2.443) 7.121 2.285 ( 4.322 -1.457 2.682) 5.291 2.444 ( 5.330 -8.287 -0.303) 9.858 2.456 ( 1.732 -3.035 -3.422) 4.891 2.500 ( -0.744 -2.671 -5.430) 6.097 2.726 ( -3.420 -5.568 -2.880) 7.141 2.826 ( -6.271 5.821 -1.062) 8.622 2.961 ( -1.896 -4.684 -3.871) 6.366 3.034 ( 0.243 2.218 5.147) 5.610 3.193 ( -2.589 -6.634 9.716) 12.047 3.221 ( -1.430 -0.179 7.432) 7.571 3.372 ( 7.490 -7.257 -0.340) 10.435 3.564 ( -0.814 -5.056 -0.927) 5.205 3.588 ( 3.722 -7.886 -1.940) 8.934 3.703 ( -7.351 3.438 -9.297) 12.341 3.781 ( 5.517 1.650 2.174) 6.155 3.922 ( 1.996 0.745 -1.807) 2.793 3.997 ( 2.463 5.241 -0.390) 5.804 4.072 ( -3.003 10.655 0.762) 11.096 4.148 ( 4.321 6.170 0.893) 7.586 4.349 ( -2.579 7.892 -4.894) 9.638 4.435 ( -4.660 7.939 0.163) 9.207 4.580 ( -3.017 2.734 3.731) 5.522 4.761 ( -2.260 1.079 6.603) 7.062 4.908 ( -1.919 0.296 -1.980) 2.774 4.972 ( -1.678 4.773 6.410) 8.167 5.207 ( -0.264 2.391 -5.479) 5.984 5.346 ( -2.202 -5.944 9.981) 11.823 5.384 ( 0.999 -5.966 -0.842) 6.107 5.473 ( 2.506 1.621 3.286) 4.439 5.635 ( -0.583 2.341 -1.046) 2.629 5.674 ( -1.246 1.996 -4.649) 5.211 5.806 ( 1.261 0.421 -0.019) 1.330 5.954 ( 2.582 4.162 -4.485) 6.641 6.266 ( 1.884 0.182 0.812) 2.060 6.511 ( 0.338 1.068 -3.230) 3.419 6.696 ( 0.427 -7.124 -1.067) 7.216 6.769 ( 0.127 1.721 7.201) 7.405 6.857 ( -11.773 4.775 -5.863) 13.992 6.944 ( 8.573 5.747 -0.115) 10.322 7.059 ( -2.246 0.569 -3.144) 3.905 7.170 ( 1.467 4.363 5.097) 6.868 7.372 ( 1.772 4.000 0.353) 4.389 7.403 ( -1.833 5.395 -2.231) 6.119 7.521 ( 2.540 5.086 2.779) 6.328 7.840 ( -4.836 -3.076 -2.261) 6.161 7.924 ( 2.072 -1.911 2.621) 3.849 8.093 ( -6.359 -4.948 0.704) 8.088 8.217 ( 2.128 -2.296 -0.546) 3.178 8.383 ( -6.642 2.679 -2.174) 7.485 8.541 ( 10.903 5.169 5.354) 13.201 8.731 ( -2.559 0.573 -5.799) 6.364 8.871 ( 2.519 0.118 1.209) 2.796 10.013 ( 1.539 -6.132 -1.032) 6.406 10.167 ( -1.862 -6.099 -0.518) 6.398 10.439 ( 1.696 -1.640 2.370) 3.344 10.814 ( -0.722 -0.967 -1.442) 1.881 11.261 ( 2.635 -3.515 1.164) 4.545 11.412 ( 1.954 -4.468 -1.503) 5.103 11.463 ( 1.855 -1.510 -0.986) 2.587 11.709 ( -1.793 2.554 0.299) 3.135 11.849 ( 10.396 -3.976 8.465) 13.984 11.882 ( -11.739 -3.994 -6.473) 13.988 12.105 ( -1.206 0.783 -0.937) 1.717 12.134 ( 0.204 -1.434 -0.605) 1.569 12.241 ( 0.339 4.826 2.305) 5.359 12.683 ( -2.239 -2.838 -4.008) 5.397 13.036 ( -0.054 -1.642 2.306) 2.831 13.294 ( 2.977 3.415 1.693) 4.836 13.666 ( -1.173 0.429 1.436) 1.903 13.721 ( -0.259 2.088 -1.367) 2.509 13.952 ( -5.885 -0.009 -5.822) 8.278 14.138 ( 3.596 2.379 5.112) 6.688 14.193 ( -1.801 -0.635 -1.950) 2.730 14.496 ( -0.918 2.461 -0.545) 2.682 14.550 ( -1.043 0.846 0.247) 1.366 14.686 ( 1.356 2.294 3.537) 4.429 14.801 ( 0.551 -2.652 0.628) 2.781 15.156 ( -0.033 9.011 -4.333) 9.999 16.403 ( 1.455 -0.082 0.079) 1.459 16.462 ( 1.508 0.398 0.424) 1.616 20.179 ( 0.341 -1.727 0.092) 1.763 20.260 ( 1.293 -0.622 1.142) 1.834 20.313 ( -1.633 -1.433 -1.312) 2.538 20.419 ( -0.676 -0.450 0.279) 0.859 24.433 ( 1.411 1.710 -1.413) 2.629 24.498 ( -0.243 0.780 0.954) 1.256 24.699 ( 1.430 0.573 0.659) 1.676 24.828 ( 1.505 2.602 -1.466) 3.344 26.162 ( -1.459 -4.089 4.620) 6.340 26.269 ( -3.295 -3.344 -3.198) 5.680 26.371 ( 0.787 1.413 6.141) 6.350 26.574 ( -0.806 2.522 -4.124) 4.901 27.050 ( 1.639 2.001 -1.943) 3.235 27.063 ( 2.047 2.489 0.145) 3.226 27.335 ( -0.472 -2.419 4.047) 4.739 27.470 ( -1.308 -2.055 -6.630) 7.064 28.236 ( 0.192 -1.081 0.040) 1.098 28.239 ( -0.759 1.437 -0.591) 1.729 28.371 ( 2.595 1.129 1.083) 3.030 28.565 ( 5.365 -5.325 4.663) 8.882 28.807 ( -4.608 0.209 -2.244) 5.130 28.935 ( -1.938 -2.921 -2.984) 4.603 29.305 ( 0.300 -2.049 1.842) 2.771 29.507 ( -2.166 -1.101 0.226) 2.440 ======================= Grid point 223 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 4.901 0.548 -2.192) 5.396 1.597 ( 2.215 0.073 -1.947) 2.950 1.926 ( 1.436 0.165 0.660) 1.589 2.124 ( 6.199 4.190 -2.489) 7.885 2.286 ( -4.588 1.983 -0.396) 5.014 2.422 ( -8.841 4.467 -0.941) 9.950 2.487 ( 1.153 1.486 -1.296) 2.284 2.598 ( 4.381 6.771 1.989) 8.306 2.673 ( -0.075 -5.302 -0.433) 5.320 2.822 ( -4.693 -2.809 -3.261) 6.368 2.947 ( -4.609 2.193 2.360) 5.623 3.080 ( 4.893 -5.553 -0.675) 7.432 3.201 ( -0.604 -1.565 2.107) 2.693 3.371 ( 0.001 -5.609 8.312) 10.028 3.431 ( -9.358 10.302 -5.616) 15.008 3.549 ( 0.420 3.893 -1.850) 4.331 3.613 ( -4.020 2.410 -1.478) 4.915 3.737 ( 5.051 -2.535 -1.114) 5.760 3.778 ( 5.129 2.288 1.708) 5.871 3.858 ( -3.770 -5.033 -2.609) 6.808 3.936 ( 3.789 0.685 -0.668) 3.908 4.011 ( 3.448 -4.254 -1.717) 5.739 4.101 ( 5.783 2.502 -0.160) 6.303 4.248 ( 4.091 0.902 1.004) 4.308 4.374 ( -3.337 -3.147 -0.455) 4.609 4.579 ( -7.040 -3.289 -0.736) 7.805 4.756 ( 2.248 -3.098 9.232) 9.994 4.885 ( 2.937 2.456 0.798) 3.911 4.923 ( -3.659 -1.876 2.451) 4.787 5.182 ( 0.389 -0.372 -1.003) 1.138 5.417 ( 1.522 4.248 8.755) 9.850 5.465 ( 1.299 -3.465 -2.029) 4.221 5.480 ( -1.256 -5.216 5.402) 7.614 5.581 ( 0.755 1.735 2.386) 3.045 5.648 ( 0.242 1.313 -6.072) 6.217 5.792 ( 0.462 2.268 3.196) 3.946 5.908 ( 0.786 2.610 -9.026) 9.428 6.237 ( -8.075 1.504 -5.610) 9.947 6.515 ( 2.070 -0.564 -2.650) 3.409 6.694 ( -12.456 0.511 -7.209) 14.401 6.737 ( -2.007 1.301 6.121) 6.571 6.847 ( 2.056 -5.594 -3.789) 7.063 6.947 ( 6.776 0.147 1.412) 6.923 7.076 ( -2.186 -3.256 -0.917) 4.027 7.104 ( 11.102 5.081 10.392) 16.033 7.312 ( -2.466 1.890 -1.365) 3.393 7.356 ( 1.451 -1.691 0.287) 2.246 7.468 ( 1.399 1.913 2.921) 3.762 7.852 ( 1.116 0.578 0.370) 1.310 7.964 ( -0.066 -2.164 2.930) 3.643 8.168 ( -3.596 -1.217 -6.767) 7.759 8.227 ( -10.156 -4.013 -6.325) 12.620 8.393 ( 5.705 -3.846 4.695) 8.330 8.501 ( 8.569 4.988 3.233) 10.429 8.700 ( -1.349 0.712 -2.233) 2.705 8.849 ( -3.188 2.043 -0.398) 3.807 10.077 ( 1.733 0.719 -0.360) 1.911 10.214 ( -3.915 -0.160 -1.027) 4.050 10.482 ( 4.359 -0.607 2.022) 4.844 10.800 ( -3.010 0.682 -1.193) 3.308 11.298 ( 1.252 1.339 1.019) 2.098 11.444 ( -0.899 2.197 -0.469) 2.420 11.478 ( 2.295 1.577 1.126) 3.003 11.685 ( 3.154 -1.110 3.240) 4.656 11.841 ( -10.258 0.231 -7.488) 12.703 11.992 ( 11.118 -2.369 7.030) 13.365 12.093 ( 0.168 -0.473 -0.164) 0.528 12.166 ( -2.053 -2.633 -1.488) 3.656 12.175 ( 0.561 2.681 1.209) 2.994 12.681 ( -5.484 0.442 -3.948) 6.772 13.061 ( 0.400 -0.664 1.554) 1.737 13.251 ( -3.371 0.855 -2.882) 4.516 13.669 ( 0.076 -0.906 1.480) 1.737 13.700 ( 0.520 -0.080 -0.825) 0.979 13.961 ( 3.468 -2.106 0.766) 4.129 14.138 ( 4.135 0.482 3.444) 5.402 14.192 ( -2.173 -0.143 -1.330) 2.551 14.453 ( -2.430 0.695 0.007) 2.527 14.559 ( 2.201 -1.566 -0.183) 2.707 14.665 ( -0.039 0.331 1.002) 1.056 14.891 ( -0.810 -4.918 1.331) 5.159 15.001 ( -0.564 4.936 -4.275) 6.554 16.397 ( 0.152 1.297 1.054) 1.678 16.454 ( -0.279 0.688 -0.543) 0.920 20.195 ( 0.387 -0.007 -0.190) 0.431 20.265 ( -1.191 0.247 -0.583) 1.348 20.333 ( 1.479 -0.506 0.641) 1.689 20.424 ( -0.660 -0.328 0.047) 0.738 24.418 ( 1.623 0.667 -0.670) 1.878 24.490 ( -0.942 -0.309 -0.125) 0.999 24.691 ( 0.333 0.782 0.611) 1.047 24.787 ( -1.196 1.600 -0.705) 2.118 26.240 ( 0.042 -4.007 5.633) 6.913 26.280 ( -1.322 1.380 2.403) 3.070 26.363 ( 2.646 0.228 0.075) 2.657 26.545 ( -1.517 -0.736 -5.769) 6.010 27.011 ( 0.570 1.729 0.569) 1.907 27.044 ( -0.059 0.527 -1.231) 1.340 27.366 ( -0.008 -0.563 4.013) 4.052 27.486 ( -0.428 -0.176 -6.570) 6.586 28.220 ( 0.118 -0.219 0.276) 0.372 28.242 ( 0.178 -0.101 -0.341) 0.398 28.364 ( 1.813 1.630 1.303) 2.764 28.612 ( -4.113 1.159 -1.371) 4.488 28.803 ( 2.147 -0.020 3.346) 3.976 28.958 ( -0.433 -0.925 -0.656) 1.213 29.335 ( 2.628 0.703 0.297) 2.736 29.535 ( -2.062 -3.192 -1.149) 3.970 ======================= Grid point 224 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 6.992 2.736 -0.254) 7.512 1.589 ( 1.078 2.184 -2.099) 3.215 1.900 ( 0.455 2.605 0.351) 2.668 2.064 ( 3.963 5.491 -1.108) 6.862 2.149 ( -12.230 6.362 -4.801) 14.597 2.216 ( -10.022 8.929 0.457) 13.430 2.373 ( 3.424 9.680 9.105) 13.723 2.528 ( 5.212 3.166 1.765) 6.348 2.734 ( -2.969 1.612 -3.373) 4.774 2.846 ( -4.539 -1.426 -1.984) 5.155 2.936 ( 1.106 -3.535 0.494) 3.737 3.110 ( -8.173 3.007 -5.331) 10.211 3.222 ( 1.218 -3.036 3.358) 4.688 3.281 ( 4.665 0.677 -1.052) 4.830 3.417 ( 2.835 6.087 -3.490) 7.568 3.435 ( -0.580 1.291 7.023) 7.164 3.495 ( -3.475 4.547 -0.171) 5.726 3.724 ( 4.202 3.510 4.002) 6.782 3.803 ( -1.889 -1.031 -8.259) 8.535 3.882 ( -2.583 -0.649 -5.320) 5.949 4.017 ( 1.996 -5.568 1.543) 6.113 4.096 ( 5.531 3.630 2.242) 6.985 4.285 ( 4.068 -14.091 -1.138) 14.711 4.326 ( 2.235 -7.107 0.944) 7.510 4.470 ( -3.294 -6.590 0.351) 7.376 4.558 ( -6.622 1.958 -1.135) 6.998 4.868 ( 0.358 -4.986 2.869) 5.763 4.885 ( -0.949 0.469 0.316) 1.105 5.007 ( 7.406 -8.305 9.451) 14.599 5.200 ( 0.506 -0.386 0.992) 1.179 5.347 ( 3.651 4.265 3.888) 6.829 5.477 ( -1.450 3.774 -1.406) 4.280 5.584 ( 3.291 -1.232 6.425) 7.323 5.606 ( 1.647 -2.201 -2.069) 3.441 5.638 ( -0.037 -7.152 -4.748) 8.585 5.784 ( -0.686 -2.530 3.764) 4.587 5.846 ( -1.671 0.465 -5.758) 6.013 6.171 ( -12.685 -3.136 -9.323) 16.052 6.542 ( 2.450 -0.524 -0.895) 2.660 6.641 ( -0.991 2.251 0.985) 2.650 6.732 ( -5.885 -3.912 0.224) 7.070 6.880 ( -0.883 0.292 -7.101) 7.161 7.000 ( 0.158 -2.066 5.087) 5.493 7.136 ( 5.850 -2.551 4.519) 7.820 7.186 ( 7.364 -5.219 1.347) 9.126 7.328 ( -1.391 -5.312 1.987) 5.840 7.447 ( 3.800 -4.084 2.217) 6.003 7.457 ( -2.714 -1.913 0.343) 3.338 7.861 ( 6.357 0.316 3.977) 7.505 7.997 ( -0.518 -1.127 0.351) 1.289 8.093 ( -6.196 2.507 -6.075) 9.032 8.266 ( -5.336 -2.551 -6.578) 8.846 8.445 ( 5.234 3.750 2.261) 6.824 8.547 ( 6.502 -5.659 -0.200) 8.623 8.677 ( -1.983 2.211 1.503) 3.328 8.772 ( -6.512 0.917 -2.041) 6.885 10.011 ( 2.238 6.908 0.531) 7.281 10.125 ( -4.317 6.314 -1.443) 7.783 10.506 ( 5.675 1.493 1.540) 6.067 10.747 ( -5.857 2.521 -1.118) 6.474 11.243 ( 1.800 4.399 1.619) 5.022 11.347 ( -0.491 6.428 1.621) 6.647 11.429 ( 0.886 4.019 1.985) 4.569 11.717 ( -7.450 2.435 -7.351) 10.746 11.803 ( 5.525 -2.894 4.745) 7.837 12.083 ( 10.885 0.147 5.418) 12.160 12.118 ( -0.027 -0.295 0.285) 0.411 12.132 ( 2.648 1.360 1.128) 3.183 12.218 ( -4.363 -4.798 -2.615) 6.993 12.601 ( -8.115 3.207 -3.140) 9.273 13.073 ( 1.306 -0.110 0.118) 1.316 13.216 ( -7.410 -0.814 -5.389) 9.199 13.696 ( 0.349 -1.702 2.008) 2.655 13.731 ( 0.769 -2.393 -1.783) 3.082 14.067 ( 8.579 -4.200 4.147) 10.413 14.165 ( 3.792 0.081 1.392) 4.040 14.175 ( -0.828 -0.222 1.106) 1.399 14.432 ( -3.410 -0.220 -0.331) 3.434 14.637 ( 2.403 -3.603 0.478) 4.358 14.673 ( -1.175 -2.474 0.401) 2.768 14.886 ( 4.128 2.051 -4.057) 6.141 15.053 ( -5.413 -7.940 -0.235) 9.613 16.359 ( -0.090 2.423 1.943) 3.107 16.433 ( -1.878 0.789 -1.265) 2.398 20.187 ( 0.455 1.219 -0.432) 1.371 20.237 ( -1.940 1.554 -1.613) 2.963 20.344 ( 2.637 0.659 1.985) 3.365 20.423 ( -0.752 -0.122 -0.419) 0.869 24.426 ( 1.877 -0.339 0.104) 1.910 24.497 ( -1.797 -1.282 -1.226) 2.525 24.676 ( 0.358 0.789 0.667) 1.094 24.754 ( -3.016 0.428 -0.201) 3.053 26.203 ( 0.571 5.024 5.387) 7.388 26.304 ( -1.346 0.143 0.673) 1.512 26.400 ( 6.140 -2.761 1.335) 6.863 26.589 ( -2.840 -5.288 -4.668) 7.604 26.993 ( -0.347 0.439 1.473) 1.575 27.036 ( -1.020 -0.031 -1.718) 1.998 27.358 ( -0.280 1.427 4.634) 4.857 27.467 ( 0.677 1.652 -7.537) 7.745 28.245 ( 1.799 1.236 1.017) 2.407 28.250 ( 0.242 -2.218 -0.093) 2.233 28.332 ( -0.294 1.050 1.274) 1.677 28.495 ( -6.710 6.741 -5.197) 10.839 28.810 ( 3.513 1.227 8.103) 8.917 28.980 ( 0.699 -1.398 -3.656) 3.976 29.304 ( 3.022 4.168 8.280) 9.750 29.589 ( -1.356 -2.933 -8.589) 9.176 ======================= Grid point 225 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 5.986 5.536 3.045) 8.704 1.516 ( -1.220 3.999 -0.330) 4.194 1.832 ( 4.212 7.681 -3.248) 9.343 1.892 ( -7.112 11.710 0.487) 13.709 1.934 ( -2.298 8.621 1.177) 9.000 2.000 ( -6.020 7.009 -1.615) 9.379 2.286 ( 4.037 1.069 8.916) 9.846 2.480 ( -5.014 0.675 0.279) 5.067 2.680 ( 4.870 2.363 -3.722) 6.570 2.811 ( -5.887 0.089 -4.727) 7.551 3.018 ( 4.265 2.563 4.352) 6.611 3.106 ( 3.970 -3.894 1.031) 5.655 3.190 ( -2.729 2.332 7.870) 8.650 3.314 ( 0.610 3.752 -7.070) 8.027 3.321 ( 1.879 4.640 -2.987) 5.830 3.384 ( -5.672 -0.198 -5.693) 8.039 3.455 ( 3.507 1.070 11.572) 12.139 3.672 ( 1.580 3.264 -0.488) 3.659 3.812 ( -1.850 -1.629 -3.970) 4.673 3.875 ( -3.035 0.030 -6.706) 7.361 4.004 ( 2.228 5.413 2.581) 6.398 4.106 ( -2.507 -1.069 0.086) 2.727 4.382 ( -5.148 5.112 2.535) 7.685 4.396 ( 1.416 6.711 -7.698) 10.310 4.524 ( -1.338 -9.116 5.437) 10.698 4.613 ( -1.519 -9.467 -5.343) 10.976 4.932 ( 2.357 -6.347 4.901) 8.359 5.005 ( 1.014 -5.832 1.853) 6.203 5.151 ( 2.045 -1.348 0.768) 2.567 5.250 ( 0.287 -3.370 -0.421) 3.409 5.295 ( 0.031 1.640 4.617) 4.900 5.378 ( 2.695 1.281 -5.760) 6.487 5.629 ( 0.329 -3.691 3.326) 4.980 5.743 ( 1.045 -4.798 -5.645) 7.482 5.774 ( 6.938 -7.581 9.241) 13.820 5.881 ( -3.306 -6.415 6.286) 9.570 5.942 ( 4.326 -8.460 -5.995) 11.235 6.193 ( -11.570 -5.917 -10.932) 16.982 6.541 ( 1.375 2.040 5.712) 6.219 6.632 ( 4.131 -1.080 -0.232) 4.276 6.786 ( -4.242 -3.854 1.471) 5.917 6.883 ( -0.775 -2.225 -5.594) 6.070 7.072 ( 0.316 -5.377 11.036) 12.281 7.235 ( 6.027 -5.083 -4.235) 8.950 7.349 ( 1.683 -7.387 -0.655) 7.605 7.445 ( -3.491 -0.545 1.049) 3.686 7.477 ( 1.024 -7.775 2.516) 8.236 7.577 ( -3.720 -7.785 -4.100) 9.553 7.921 ( 11.683 0.775 9.612) 15.149 8.001 ( 4.067 2.778 -4.002) 6.346 8.051 ( -5.911 -5.174 2.463) 8.232 8.260 ( -1.042 0.081 -4.751) 4.865 8.384 ( -5.608 3.145 -0.361) 6.440 8.545 ( -6.120 5.448 -7.061) 10.817 8.702 ( 4.417 -5.147 1.279) 6.901 8.773 ( -1.629 -2.137 -1.415) 3.037 9.852 ( 3.030 10.598 1.335) 11.103 9.937 ( -4.482 9.530 -2.021) 10.724 10.493 ( 6.145 3.491 1.429) 7.210 10.625 ( -7.572 5.295 -1.434) 9.351 11.168 ( 3.573 5.109 1.790) 6.486 11.206 ( 0.158 7.889 3.590) 8.669 11.345 ( 1.184 4.995 3.432) 6.175 11.574 ( -8.821 5.711 -9.816) 14.380 11.916 ( 8.980 -2.190 6.352) 11.215 12.068 ( -1.671 2.420 -1.210) 3.180 12.132 ( 7.521 0.750 4.490) 8.791 12.207 ( 11.551 -3.236 3.764) 12.573 12.267 ( -6.778 -2.287 -3.173) 7.826 12.480 ( -8.630 2.722 -0.652) 9.072 13.076 ( 2.663 1.112 -1.357) 3.188 13.191 ( -11.103 -2.624 -6.456) 13.109 13.743 ( 0.104 -2.793 2.323) 3.634 13.790 ( 0.178 -3.188 -2.403) 3.996 14.152 ( -0.312 -0.200 2.612) 2.639 14.211 ( 4.214 -4.492 0.754) 6.205 14.224 ( 8.345 -1.471 2.625) 8.871 14.419 ( -5.645 -1.287 -1.541) 5.992 14.682 ( -0.396 -2.765 5.548) 6.211 14.783 ( -0.964 -6.781 -4.251) 8.061 14.940 ( 13.245 -2.534 0.110) 13.486 15.159 ( -11.044 -7.511 -2.891) 13.665 16.311 ( 1.214 2.735 3.139) 4.337 16.396 ( -2.788 1.522 -2.205) 3.867 20.148 ( 0.797 3.160 -0.992) 3.406 20.177 ( -2.329 3.444 -1.803) 4.531 20.347 ( 2.999 0.718 3.112) 4.381 20.419 ( -1.309 -0.118 -1.403) 1.923 24.452 ( 2.067 -1.079 0.828) 2.474 24.513 ( -2.782 -1.681 -2.105) 3.873 24.674 ( 2.388 0.150 1.045) 2.611 24.733 ( -3.952 -0.368 -0.180) 3.973 26.109 ( 1.011 5.086 5.528) 7.579 26.239 ( -1.151 4.366 -5.566) 7.167 26.526 ( 2.226 -6.088 10.679) 12.493 26.701 ( 0.546 -6.707 -5.794) 8.880 26.986 ( 0.043 0.264 0.923) 0.961 27.025 ( -1.569 0.461 -1.753) 2.397 27.317 ( -1.448 2.242 5.585) 6.190 27.437 ( 1.883 1.431 -9.044) 9.348 28.158 ( 2.405 7.778 2.118) 8.412 28.258 ( -4.945 8.136 -3.265) 10.065 28.330 ( 1.781 -1.924 0.282) 2.637 28.372 ( -2.180 -2.949 -0.964) 3.792 28.813 ( 4.521 1.227 7.647) 8.968 28.999 ( -3.248 -0.218 -6.493) 7.263 29.237 ( 5.353 4.443 15.856) 17.315 29.606 ( -3.231 -0.379 -15.214) 15.558 ======================= Grid point 226 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 3.097 9.603 11.657) 15.418 1.459 ( 2.216 2.723 -4.507) 5.713 1.546 ( 4.672 17.238 7.510) 19.375 1.720 ( -10.420 7.114 -8.748) 15.352 1.779 ( 2.610 5.765 1.750) 6.566 1.857 ( 0.281 5.881 -4.576) 7.457 2.359 ( 4.742 -3.861 11.931) 13.407 2.492 ( -5.477 -5.153 -2.782) 8.018 2.659 ( 10.355 6.862 5.369) 13.533 2.754 ( -8.857 1.243 -4.789) 10.145 2.923 ( 8.036 9.209 7.534) 14.358 3.051 ( 0.077 8.813 6.690) 11.065 3.122 ( -7.885 4.673 -8.562) 12.543 3.226 ( -0.658 6.626 -8.370) 10.695 3.305 ( 4.980 -3.987 3.150) 7.115 3.368 ( -4.862 -1.759 -1.918) 5.515 3.453 ( 1.607 0.617 9.892) 10.041 3.640 ( 0.234 2.575 -6.487) 6.983 3.800 ( -4.222 -0.395 1.468) 4.488 3.863 ( -0.191 -2.640 -1.295) 2.947 3.955 ( -4.565 0.297 -3.310) 5.647 4.071 ( 2.622 1.718 -6.931) 7.606 4.253 ( 1.625 3.657 0.602) 4.047 4.315 ( 0.410 1.230 -3.084) 3.345 4.695 ( 5.488 -6.303 2.974) 8.871 4.763 ( -4.196 -5.332 -4.138) 7.948 5.045 ( 3.771 -1.072 2.858) 4.851 5.068 ( -2.433 -0.288 0.549) 2.511 5.163 ( -0.594 -1.363 3.085) 3.425 5.222 ( -3.299 -2.469 -0.252) 4.128 5.391 ( -0.998 -3.868 -1.192) 4.169 5.416 ( 4.014 -1.205 -3.319) 5.346 5.728 ( -2.208 -6.863 6.601) 9.775 5.846 ( -4.439 -8.048 -3.366) 9.788 5.931 ( -3.406 -0.421 8.548) 9.211 5.996 ( 8.504 -7.235 2.367) 11.414 6.109 ( 8.121 -4.245 -3.218) 9.713 6.230 ( -8.156 -4.853 -11.940) 15.252 6.522 ( 1.950 0.942 8.441) 8.715 6.670 ( -0.568 -0.545 -7.134) 7.178 6.847 ( 0.595 -4.108 6.615) 7.810 6.952 ( 1.042 -3.923 -4.488) 6.051 7.203 ( 1.730 -5.690 13.119) 14.404 7.366 ( -2.877 -1.069 -2.294) 3.832 7.435 ( 2.975 -4.561 1.535) 5.658 7.503 ( -1.424 -9.266 -6.845) 11.608 7.647 ( -0.825 -7.119 3.601) 8.021 7.708 ( -1.899 -7.628 -2.684) 8.307 7.934 ( -2.312 0.799 2.860) 3.764 7.980 ( 3.468 0.741 -1.845) 3.998 8.137 ( 1.880 4.986 10.228) 11.532 8.247 ( 3.623 -2.993 5.018) 6.875 8.344 ( -4.693 -5.154 -9.929) 12.131 8.427 ( -6.754 -0.033 -11.884) 13.670 8.792 ( 0.345 -2.016 0.786) 2.191 8.817 ( 0.916 -2.403 -2.002) 3.259 9.652 ( 3.605 11.390 3.274) 12.388 9.721 ( -3.707 9.429 -3.968) 10.881 10.449 ( 4.207 4.390 1.426) 6.245 10.474 ( -4.595 5.462 -0.980) 7.205 11.051 ( 0.688 7.992 4.074) 8.997 11.084 ( 2.523 5.330 -0.377) 5.909 11.257 ( 2.291 5.531 5.407) 8.067 11.390 ( -5.730 7.866 -7.864) 12.512 11.985 ( 2.643 -0.552 2.719) 3.832 12.019 ( -1.136 0.680 -1.514) 2.011 12.158 ( 3.409 0.537 2.540) 4.285 12.200 ( -3.940 3.519 -1.655) 5.536 12.392 ( 17.089 -4.631 3.641) 18.075 12.418 ( -8.129 -0.885 1.267) 8.274 13.081 ( 8.491 0.203 1.824) 8.687 13.171 ( -15.640 -3.469 -7.898) 17.861 13.802 ( -1.051 -3.084 2.724) 4.247 13.845 ( 0.032 -2.543 -2.054) 3.269 14.169 ( 2.028 -0.887 5.441) 5.875 14.262 ( -3.025 -2.403 -4.558) 5.976 14.366 ( 13.079 -4.178 2.273) 13.917 14.414 ( -8.740 -2.810 -2.604) 9.543 14.773 ( 2.200 -5.735 8.244) 10.281 14.892 ( -3.484 -6.123 -4.590) 8.408 15.124 ( 17.470 -5.593 3.108) 18.604 15.205 ( -14.548 -5.615 -5.760) 16.623 16.274 ( 2.917 2.544 3.832) 5.447 16.339 ( -2.237 2.460 -3.038) 4.503 20.067 ( -2.243 5.242 -0.845) 5.764 20.078 ( 1.158 5.445 -2.130) 5.961 20.359 ( 2.676 0.009 3.351) 4.288 20.411 ( -1.975 -0.126 -2.279) 3.018 24.490 ( 2.176 -1.320 1.524) 2.966 24.527 ( -2.530 -1.589 -2.354) 3.803 24.704 ( 5.632 -0.750 1.079) 5.783 24.719 ( -4.028 -0.659 -0.506) 4.113 26.033 ( 1.800 3.471 5.095) 6.422 26.139 ( -2.335 4.189 -6.031) 7.706 26.642 ( -5.328 -5.456 14.506) 16.388 26.835 ( 4.191 -5.032 -6.364) 9.132 26.988 ( 1.074 0.272 -0.237) 1.133 26.998 ( -0.142 0.807 -1.285) 1.524 27.272 ( -2.057 1.012 7.356) 7.705 27.439 ( 2.700 -1.006 -10.643) 11.026 28.014 ( 1.317 7.437 1.378) 7.677 28.043 ( -1.966 8.970 -1.915) 9.380 28.405 ( 2.959 -2.696 1.133) 4.160 28.429 ( -2.603 -3.370 -1.374) 4.475 28.801 ( 4.352 5.625 8.568) 11.136 28.905 ( -5.261 4.315 -1.486) 6.965 29.261 ( 8.021 -1.629 9.824) 12.787 29.534 ( -7.914 3.858 -18.303) 20.310 ======================= Grid point 229 (106/141) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 3.633 -0.000 21.076) 21.387 1.269 ( -1.651 0.000 -5.499) 5.742 1.370 ( 14.396 -0.000 11.271) 18.283 1.382 ( 3.142 -0.000 -19.096) 19.353 1.764 ( 8.282 -0.000 -2.786) 8.738 1.817 ( 1.903 -0.000 -8.710) 8.915 2.342 ( -11.619 0.000 -0.745) 11.642 2.588 ( -3.776 0.000 8.977) 9.739 2.638 ( 4.028 -0.000 -9.116) 9.967 2.718 ( -4.070 0.000 -0.292) 4.081 2.871 ( 22.329 -0.000 22.555) 31.738 2.980 ( 10.669 -0.000 -7.083) 12.806 3.017 ( 10.069 -0.000 3.396) 10.626 3.032 ( -0.013 0.000 1.136) 1.137 3.364 ( -8.013 0.000 -7.105) 10.709 3.421 ( -3.836 0.000 -6.049) 7.163 3.476 ( 6.417 -0.000 11.931) 13.547 3.545 ( 3.220 -0.000 0.875) 3.337 3.840 ( 1.343 -0.000 -6.614) 6.749 3.973 ( 1.237 -0.000 -6.978) 7.087 4.011 ( -2.054 0.000 6.547) 6.861 4.132 ( 0.156 -0.000 5.857) 5.859 4.145 ( 0.230 -0.000 2.263) 2.274 4.408 ( 0.520 -0.000 -3.048) 3.092 4.698 ( -9.374 0.000 -0.830) 9.410 4.712 ( 3.830 -0.000 -0.732) 3.899 5.037 ( 9.672 -0.000 -1.855) 9.848 5.199 ( -4.427 0.000 2.407) 5.039 5.215 ( -9.533 0.000 -5.562) 11.037 5.264 ( -4.053 0.000 -4.411) 5.991 5.283 ( 4.903 -0.000 5.257) 7.188 5.498 ( 4.734 -0.000 -3.586) 5.939 5.743 ( -8.202 0.000 1.908) 8.421 5.774 ( -7.634 0.000 5.384) 9.342 5.831 ( -5.066 0.000 8.960) 10.293 6.173 ( -3.534 0.000 -2.724) 4.462 6.240 ( -3.174 0.000 -6.508) 7.240 6.424 ( -1.915 0.000 -10.883) 11.050 6.488 ( -1.983 0.000 7.659) 7.912 6.663 ( 1.654 -0.000 1.472) 2.214 6.963 ( -5.144 0.000 -5.083) 7.232 7.113 ( 1.801 -0.000 8.942) 9.121 7.203 ( -2.976 0.000 -0.335) 2.995 7.294 ( -1.754 0.000 2.686) 3.209 7.327 ( 1.855 -0.000 1.205) 2.212 7.576 ( 8.642 -0.000 4.511) 9.748 7.619 ( -8.936 0.000 0.602) 8.956 7.816 ( -6.380 0.000 4.127) 7.599 7.834 ( -3.291 0.000 0.928) 3.420 8.087 ( -10.405 0.000 -13.263) 16.858 8.245 ( 10.006 -0.000 3.756) 10.688 8.426 ( 6.372 -0.000 6.689) 9.238 8.582 ( -0.505 0.000 -2.223) 2.279 8.748 ( 12.871 -0.000 5.378) 13.949 8.867 ( 6.304 -0.000 -2.064) 6.633 8.905 ( 4.040 -0.000 2.399) 4.698 9.287 ( -2.558 0.000 -5.600) 6.157 9.666 ( 8.868 -0.000 4.914) 10.138 10.256 ( -1.764 0.000 0.714) 1.903 10.457 ( 3.461 -0.000 -0.542) 3.503 10.926 ( 0.537 -0.000 -6.923) 6.944 10.944 ( 4.351 -0.000 3.604) 5.650 11.118 ( 1.678 -0.000 4.513) 4.815 11.199 ( 1.830 -0.000 -1.737) 2.523 11.747 ( -10.581 0.000 7.925) 13.220 12.040 ( -15.431 0.000 -7.526) 17.169 12.080 ( -1.305 0.000 -0.508) 1.400 12.135 ( -4.083 0.000 -2.134) 4.607 12.282 ( 5.073 -0.000 -0.915) 5.155 12.330 ( -8.047 0.000 -8.108) 11.424 12.934 ( -2.599 0.000 2.193) 3.400 13.658 ( 7.647 -0.000 -4.207) 8.728 13.753 ( -2.592 0.000 1.456) 2.973 14.071 ( -6.771 0.000 -10.570) 12.553 14.221 ( -2.135 0.000 -4.164) 4.680 14.236 ( 3.920 -0.000 3.794) 5.455 14.346 ( 5.054 -0.000 4.907) 7.044 14.787 ( -7.667 0.000 -0.728) 7.702 14.820 ( 10.601 -0.000 -1.009) 10.649 14.929 ( -14.981 0.000 -11.251) 18.735 15.338 ( 2.213 -0.000 0.344) 2.240 15.502 ( 6.503 -0.000 2.932) 7.134 16.265 ( 2.545 -0.000 1.150) 2.793 16.351 ( 5.568 -0.000 -4.081) 6.903 19.903 ( 1.070 -0.000 -1.790) 2.086 19.941 ( 2.953 -0.000 2.150) 3.653 20.359 ( -1.915 0.000 -1.855) 2.666 20.423 ( 1.783 -0.000 1.620) 2.409 24.569 ( 1.922 -0.000 -3.112) 3.657 24.585 ( 0.559 -0.000 2.729) 2.786 24.707 ( 4.540 -0.000 0.874) 4.623 24.989 ( 10.049 -0.000 -8.031) 12.863 25.977 ( -1.310 0.000 -5.231) 5.393 26.080 ( 2.156 -0.000 4.734) 5.202 26.447 ( -10.107 0.000 11.130) 15.034 26.952 ( 1.449 -0.000 0.833) 1.671 27.028 ( -3.237 0.000 -0.381) 3.259 27.038 ( 1.062 -0.000 0.490) 1.170 27.180 ( -4.506 0.000 2.811) 5.311 27.580 ( -0.364 0.000 -7.296) 7.305 27.878 ( -1.443 0.000 -1.761) 2.277 27.959 ( -1.728 0.000 -2.864) 3.345 28.198 ( -7.675 0.000 -2.080) 7.951 28.255 ( -10.358 0.000 -1.192) 10.426 28.663 ( 3.826 -0.000 -1.181) 4.004 28.920 ( -8.668 0.000 5.307) 10.164 29.186 ( 21.775 -0.000 -4.118) 22.161 29.659 ( 7.715 -0.000 6.823) 10.300 ======================= Grid point 230 (107/141) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 2.009 -3.568 10.732) 11.486 1.340 ( -1.256 -2.590 -10.111) 10.513 1.464 ( 6.535 -11.186 -5.349) 14.016 1.624 ( 14.694 -11.685 12.036) 22.301 1.843 ( 9.558 -3.702 -2.739) 10.610 1.908 ( 1.561 -7.333 -10.149) 12.618 2.261 ( -9.005 0.897 0.462) 9.061 2.520 ( 0.325 2.433 2.230) 3.317 2.665 ( -2.052 0.852 -2.772) 3.553 2.705 ( -4.980 -2.256 -4.261) 6.932 2.946 ( 6.683 1.484 4.752) 8.334 3.022 ( -1.939 0.179 -0.159) 1.953 3.110 ( 5.972 -1.888 -2.655) 6.803 3.171 ( 17.766 -5.852 13.609) 23.132 3.281 ( -0.815 1.531 -2.671) 3.184 3.396 ( -3.926 -0.086 -1.586) 4.235 3.495 ( 6.215 2.666 5.727) 8.861 3.557 ( 1.921 0.178 4.629) 5.015 3.865 ( 2.283 -0.720 -6.859) 7.265 3.948 ( 2.909 0.764 -1.799) 3.505 4.029 ( 4.679 0.154 3.341) 5.751 4.129 ( 0.328 -2.390 4.291) 4.923 4.226 ( 1.105 -4.289 -0.522) 4.460 4.454 ( 2.740 -4.151 -3.390) 6.020 4.627 ( -3.304 1.251 0.053) 3.533 4.763 ( -1.862 -2.734 0.791) 3.402 5.038 ( -2.394 4.810 3.475) 6.399 5.130 ( -6.101 3.627 1.991) 7.372 5.149 ( -2.562 0.579 -7.434) 7.884 5.200 ( 2.655 6.616 -3.503) 7.943 5.306 ( -0.619 -2.375 0.515) 2.508 5.546 ( 2.852 0.527 -4.199) 5.103 5.688 ( -5.998 1.735 2.828) 6.855 5.707 ( -7.161 0.941 4.852) 8.701 5.784 ( -5.901 0.624 6.071) 8.489 6.114 ( -3.004 4.137 -4.954) 7.119 6.152 ( -5.567 4.937 -4.905) 8.912 6.421 ( -1.377 1.197 -3.745) 4.166 6.507 ( -1.591 -2.189 1.801) 3.250 6.663 ( 2.535 0.397 0.596) 2.634 6.916 ( -3.212 2.381 -0.460) 4.025 7.030 ( 3.883 6.279 -1.686) 7.572 7.180 ( -2.494 0.901 1.457) 3.026 7.278 ( -5.764 -1.765 4.851) 7.738 7.395 ( -3.160 0.604 3.968) 5.108 7.532 ( -8.656 3.887 2.328) 9.771 7.597 ( 1.565 -1.005 -1.903) 2.661 7.687 ( 1.362 2.731 0.454) 3.085 7.938 ( -5.021 -2.268 5.930) 8.095 8.030 ( -5.322 -1.224 -8.596) 10.184 8.262 ( 8.692 5.281 0.608) 10.189 8.317 ( 2.401 8.600 4.300) 9.911 8.604 ( 4.164 3.020 -1.608) 5.389 8.754 ( 4.621 7.070 -0.332) 8.452 8.795 ( 9.496 3.972 3.572) 10.896 8.883 ( 2.020 2.889 0.581) 3.572 9.431 ( 1.983 -10.754 -1.898) 11.098 9.740 ( 4.799 -3.308 2.702) 6.425 10.278 ( 0.053 -2.640 1.972) 3.296 10.523 ( 2.260 -4.710 -1.283) 5.380 10.990 ( 3.680 -3.721 -1.280) 5.388 11.010 ( 1.509 -5.391 -3.670) 6.694 11.198 ( 1.929 -5.422 2.325) 6.207 11.273 ( 2.431 -7.224 1.159) 7.710 11.699 ( -8.868 -0.982 7.860) 11.890 11.936 ( -11.436 0.958 -7.304) 13.603 12.076 ( -1.335 -0.434 -0.173) 1.414 12.104 ( 0.276 0.953 0.447) 1.088 12.343 ( 2.593 -2.989 1.022) 4.086 12.355 ( -7.882 -6.237 -9.831) 14.060 12.935 ( -0.596 -0.875 4.978) 5.089 13.644 ( 4.378 4.244 -3.390) 6.976 13.748 ( -1.180 -0.158 0.886) 1.484 13.989 ( -11.119 1.803 -13.875) 17.872 14.092 ( 0.814 9.245 3.257) 9.835 14.262 ( 3.492 1.629 0.694) 3.916 14.364 ( 3.700 1.907 3.305) 5.315 14.737 ( -6.491 1.080 -1.180) 6.685 14.762 ( -1.790 6.569 -5.431) 8.709 14.863 ( -0.869 1.951 -4.088) 4.612 15.147 ( 4.249 13.907 5.728) 15.629 15.562 ( 1.562 0.973 -2.037) 2.745 16.324 ( 2.873 -3.130 0.900) 4.343 16.378 ( 4.449 -0.437 -1.904) 4.859 19.936 ( 1.169 -3.261 0.311) 3.478 20.027 ( 1.701 -5.544 0.205) 5.802 20.338 ( -1.680 0.995 -1.453) 2.434 20.427 ( 0.885 0.490 1.148) 1.530 24.565 ( 2.109 1.561 -2.885) 3.900 24.577 ( 0.109 1.024 2.422) 2.632 24.730 ( 5.616 0.986 2.148) 6.093 25.005 ( 7.630 3.157 -7.278) 11.007 25.990 ( -0.406 -1.812 -4.782) 5.129 26.083 ( -0.428 -0.310 5.296) 5.322 26.415 ( -6.243 -0.924 11.133) 12.797 26.868 ( -7.418 7.281 -2.515) 10.694 26.994 ( 2.479 -1.990 -0.916) 3.308 27.108 ( 2.968 -3.300 0.818) 4.513 27.199 ( -1.010 -2.205 3.652) 4.384 27.530 ( -2.153 3.776 -8.445) 9.498 27.914 ( -0.344 -2.792 -0.343) 2.834 27.946 ( 0.757 -4.343 -0.685) 4.461 28.269 ( -5.739 -8.614 0.709) 10.375 28.297 ( -8.863 -8.675 -2.998) 12.759 28.647 ( 3.825 3.415 0.578) 5.160 28.905 ( -9.621 -1.992 3.983) 10.602 29.295 ( 16.567 1.201 -6.815) 17.954 29.648 ( 4.055 4.716 5.973) 8.623 ======================= Grid point 231 (108/141) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -1.537 -1.749 5.737) 6.191 1.379 ( -1.211 -4.095 -4.698) 6.349 1.794 ( 9.549 -15.036 -5.683) 18.697 1.922 ( 7.734 -8.127 1.104) 11.273 1.992 ( 11.647 -6.674 5.673) 14.574 2.097 ( 2.033 -10.511 -8.556) 13.705 2.258 ( -0.048 -4.463 1.387) 4.674 2.499 ( 0.437 1.104 -1.979) 2.308 2.643 ( 2.120 1.834 -0.201) 2.810 2.700 ( -7.289 -3.337 -3.737) 8.844 2.955 ( -9.723 1.601 1.090) 9.915 2.984 ( 1.785 -1.732 -0.223) 2.497 3.115 ( -0.099 0.326 0.095) 0.353 3.217 ( 0.857 1.382 0.905) 1.861 3.384 ( -1.796 -1.053 3.381) 3.971 3.428 ( 9.948 -2.807 4.668) 11.342 3.462 ( 4.343 4.200 3.097) 6.789 3.584 ( 0.928 -3.436 4.292) 5.576 3.883 ( 3.554 0.107 -6.717) 7.600 3.984 ( 5.215 -0.320 -0.346) 5.237 4.037 ( 3.726 2.549 3.641) 5.799 4.193 ( 2.245 -2.406 1.705) 3.706 4.351 ( 7.892 -5.647 -1.340) 9.796 4.546 ( 2.663 1.140 -2.011) 3.527 4.633 ( -1.480 -3.903 2.389) 4.809 4.776 ( -5.995 -2.548 -1.067) 6.601 4.889 ( -6.178 6.430 7.134) 11.419 4.982 ( -1.588 9.060 -1.913) 9.395 5.060 ( 0.673 5.411 -1.211) 5.585 5.159 ( 0.187 0.682 -6.957) 6.993 5.339 ( 0.195 -0.661 1.704) 1.839 5.452 ( -4.345 7.969 0.293) 9.081 5.554 ( -7.929 1.973 -0.885) 8.218 5.686 ( -1.635 1.366 1.024) 2.364 5.792 ( -2.081 -0.388 5.347) 5.751 5.937 ( -1.687 8.413 -0.597) 8.601 6.078 ( -3.933 0.749 -6.398) 7.547 6.358 ( 0.496 3.865 -0.647) 3.951 6.507 ( -3.634 0.182 -4.536) 5.815 6.650 ( -1.811 2.733 -2.057) 3.870 6.855 ( 1.154 2.345 4.280) 5.015 6.989 ( 2.979 1.239 -4.218) 5.311 7.081 ( -1.532 6.424 5.336) 8.490 7.263 ( -5.986 -0.281 2.536) 6.507 7.282 ( -0.223 4.471 -1.166) 4.626 7.549 ( -6.757 -4.234 -1.376) 8.092 7.605 ( -3.272 -0.426 -0.274) 3.311 7.659 ( 7.056 2.795 3.862) 8.516 7.798 ( -6.828 10.890 0.835) 12.880 8.016 ( 1.603 9.474 8.806) 13.034 8.043 ( 0.029 1.669 -4.450) 4.753 8.381 ( -2.120 -0.351 -3.417) 4.036 8.449 ( 6.817 7.575 -0.962) 10.236 8.691 ( -3.742 1.892 -3.608) 5.532 8.760 ( 9.940 5.531 3.416) 11.877 8.879 ( 4.591 -0.056 2.203) 5.093 9.652 ( 2.665 -10.351 -0.890) 10.726 9.861 ( 0.393 -7.178 0.343) 7.196 10.348 ( 2.400 -3.135 3.694) 5.407 10.646 ( 0.490 -6.413 -2.099) 6.766 11.082 ( 3.786 -4.085 1.121) 5.681 11.163 ( 2.542 -7.900 -5.446) 9.926 11.311 ( 1.244 -5.330 -1.203) 5.604 11.491 ( 0.864 -11.939 2.665) 12.264 11.694 ( -3.296 -2.201 8.049) 8.971 11.867 ( -4.491 1.238 -3.024) 5.554 12.084 ( -0.544 -0.975 -0.273) 1.150 12.105 ( 0.691 -0.456 0.572) 1.006 12.376 ( -4.457 -0.669 0.683) 4.558 12.456 ( -3.306 -7.195 -8.470) 11.595 12.962 ( 0.308 -1.715 5.651) 5.914 13.553 ( 3.074 7.253 -3.021) 8.437 13.729 ( -0.649 1.744 1.165) 2.196 13.862 ( -6.464 4.601 -9.078) 12.057 13.947 ( -4.026 3.322 0.600) 5.254 14.233 ( 1.488 2.784 -1.240) 3.392 14.314 ( 1.610 4.459 3.549) 5.922 14.624 ( -0.112 5.052 -2.000) 5.435 14.664 ( -3.734 4.031 0.247) 5.500 14.805 ( -0.320 3.073 -1.808) 3.580 14.947 ( 5.605 9.618 5.649) 12.483 15.481 ( -1.780 6.262 -4.982) 8.198 16.380 ( 3.557 -1.014 -0.610) 3.748 16.434 ( 3.045 -2.159 1.247) 3.935 20.029 ( 1.010 -4.991 1.185) 5.228 20.147 ( 1.032 -5.554 -0.094) 5.650 20.303 ( -1.590 1.389 -1.096) 2.379 20.418 ( -0.471 0.513 0.555) 0.891 24.533 ( 2.252 2.809 -2.407) 4.331 24.552 ( -0.087 1.543 2.188) 2.679 24.739 ( 4.900 1.472 2.427) 5.663 24.966 ( 4.728 4.068 -5.112) 8.065 26.026 ( -0.456 -2.317 -0.561) 2.427 26.114 ( -2.293 -3.362 1.195) 4.241 26.402 ( -3.123 -0.119 10.073) 10.547 26.704 ( -5.641 4.759 -4.662) 8.729 27.054 ( 3.337 -1.813 -0.389) 3.818 27.177 ( 4.897 -0.610 -1.331) 5.111 27.237 ( -1.271 -2.184 4.908) 5.521 27.431 ( -3.946 2.941 -8.417) 9.750 28.010 ( 1.206 -7.121 0.730) 7.260 28.130 ( 2.972 -10.695 1.623) 11.218 28.315 ( -2.006 -1.638 -1.184) 2.847 28.494 ( -2.320 -8.130 -2.723) 8.882 28.612 ( -0.385 -1.731 1.304) 2.201 28.863 ( -9.244 0.382 2.340) 9.543 29.322 ( 7.872 3.013 -2.894) 8.912 29.561 ( 0.450 4.797 2.500) 5.429 ======================= Grid point 232 (109/141) ======================= q-point: ( 0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.303 -3.369 1.452) 3.681 1.470 ( -2.321 -5.926 -0.310) 6.372 1.970 ( 10.268 1.154 -2.475) 10.624 2.135 ( 7.852 -8.586 -6.247) 13.206 2.241 ( 5.856 -8.544 3.855) 11.052 2.302 ( 3.846 -9.147 -1.079) 9.981 2.399 ( 5.421 -6.196 -1.129) 8.310 2.465 ( -0.012 1.272 -5.408) 5.556 2.606 ( -4.692 -0.074 -1.462) 4.915 2.789 ( -1.522 -7.164 -3.254) 8.014 2.871 ( -9.767 0.908 -1.361) 9.903 3.021 ( -4.198 -4.518 4.025) 7.365 3.123 ( -1.468 3.015 6.394) 7.220 3.205 ( 5.483 -2.016 4.738) 7.521 3.391 ( 2.844 2.970 3.122) 5.163 3.453 ( 0.382 -6.033 2.189) 6.429 3.486 ( 1.482 -1.619 -0.433) 2.237 3.669 ( -2.955 -3.196 -1.678) 4.665 3.886 ( 5.992 4.494 -0.477) 7.505 3.934 ( 1.894 1.643 -6.682) 7.137 4.076 ( 6.327 -0.485 3.258) 7.133 4.213 ( 3.197 2.142 -1.183) 4.025 4.345 ( -1.971 11.859 0.735) 12.044 4.441 ( -4.624 4.737 -2.455) 7.061 4.597 ( -4.232 7.685 -0.058) 8.773 4.740 ( -4.240 12.052 1.432) 12.856 4.788 ( 3.153 3.705 5.914) 7.658 4.880 ( 1.443 -4.160 -2.421) 5.025 5.019 ( -3.264 -0.932 4.513) 5.647 5.111 ( -7.515 -2.725 2.697) 8.436 5.335 ( 5.561 1.221 -9.934) 11.450 5.341 ( -0.528 0.561 4.999) 5.058 5.545 ( 2.555 3.376 2.049) 4.704 5.613 ( -4.555 -0.323 3.699) 5.876 5.732 ( 1.884 3.391 -3.344) 5.122 5.846 ( 0.163 2.745 0.566) 2.808 6.039 ( -0.602 2.286 -1.462) 2.780 6.289 ( -1.583 2.431 -1.419) 3.229 6.508 ( -2.433 -2.407 -6.467) 7.316 6.571 ( -5.605 0.413 -3.256) 6.495 6.817 ( 0.372 2.655 5.957) 6.533 6.917 ( -2.303 5.502 -1.774) 6.223 7.039 ( 2.845 0.188 -1.862) 3.405 7.168 ( 0.222 6.974 -1.135) 7.069 7.250 ( 1.935 3.432 3.981) 5.601 7.465 ( -0.766 5.264 -0.243) 5.325 7.535 ( 1.167 6.745 0.625) 6.874 7.626 ( -3.001 2.001 -0.571) 3.652 7.744 ( -2.900 -5.223 4.188) 7.296 7.830 ( -0.988 3.686 1.778) 4.210 8.105 ( 2.965 -0.997 3.575) 4.750 8.219 ( 0.258 6.072 -3.279) 6.905 8.416 ( -4.294 3.594 0.179) 5.603 8.674 ( -5.152 -2.834 -8.952) 10.710 8.713 ( 9.821 5.373 4.397) 12.027 8.900 ( 3.070 0.807 1.631) 3.569 9.865 ( 2.789 -9.570 -0.891) 10.008 10.008 ( -2.708 -8.102 -0.773) 8.577 10.422 ( 4.144 -2.220 4.741) 6.677 10.748 ( -2.874 -4.295 -3.807) 6.419 11.200 ( 4.840 -5.034 2.342) 7.366 11.324 ( 4.388 -6.412 -2.497) 8.161 11.416 ( 0.882 -4.404 -1.695) 4.801 11.662 ( -11.136 -7.279 -3.270) 13.700 11.773 ( 6.883 -1.855 6.547) 9.679 11.840 ( 4.920 -1.417 5.444) 7.473 12.099 ( -1.244 -0.650 -0.625) 1.537 12.121 ( 1.067 -0.507 -0.221) 1.202 12.318 ( -4.375 3.340 0.383) 5.518 12.561 ( -5.953 -6.174 -8.327) 11.954 13.005 ( 1.028 -1.869 4.779) 5.233 13.408 ( -2.098 7.062 -3.985) 8.375 13.685 ( -0.233 2.004 2.021) 2.855 13.762 ( -2.158 2.659 -4.047) 5.301 13.905 ( -2.620 -0.523 -1.763) 3.201 14.177 ( -3.916 1.435 -4.511) 6.143 14.249 ( 6.299 4.430 7.715) 10.901 14.554 ( -3.231 4.434 0.027) 5.487 14.566 ( 1.368 1.778 1.010) 2.460 14.745 ( -0.906 2.696 -1.424) 3.181 14.841 ( 5.713 4.934 5.296) 9.221 15.316 ( -3.617 8.286 -6.619) 11.205 16.414 ( 3.060 -0.282 0.221) 3.081 16.474 ( 1.498 -0.387 0.689) 1.693 20.127 ( 1.136 -3.958 1.133) 4.271 20.248 ( 0.302 -4.144 -0.301) 4.166 20.271 ( -0.533 0.926 -0.187) 1.085 20.406 ( -1.517 -0.034 -0.127) 1.522 24.489 ( 2.234 2.798 -1.824) 4.018 24.520 ( -0.568 1.576 1.544) 2.278 24.735 ( 3.554 1.582 2.294) 4.516 24.903 ( 1.641 4.036 -3.566) 5.630 26.079 ( -0.919 -3.483 2.684) 4.492 26.169 ( -3.551 -4.021 -2.200) 5.798 26.396 ( 0.459 0.326 8.271) 8.290 26.610 ( -3.043 2.367 -4.255) 5.742 27.084 ( 2.599 0.765 -0.344) 2.731 27.163 ( 3.824 4.555 -2.557) 6.473 27.278 ( -1.017 -2.812 4.528) 5.426 27.402 ( -3.530 -2.634 -6.909) 8.193 28.163 ( 1.794 -6.235 0.359) 6.498 28.259 ( -1.847 -0.514 0.332) 1.946 28.395 ( 4.709 -4.013 3.830) 7.277 28.515 ( 5.818 -0.476 0.582) 5.866 28.750 ( -5.283 -6.165 -8.206) 11.544 28.811 ( -7.422 -3.367 2.466) 8.515 29.300 ( 3.085 1.534 4.218) 5.446 29.493 ( -1.939 1.577 -1.464) 2.896 ======================= Grid point 233 (110/141) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 4.259 -4.002 -0.879) 5.910 1.563 ( -2.167 -4.404 -0.773) 4.969 1.997 ( 12.102 2.813 -0.572) 12.438 2.227 ( 5.193 1.691 -2.045) 5.831 2.315 ( 0.525 1.611 0.125) 1.699 2.426 ( -8.405 0.779 -3.958) 9.323 2.491 ( 4.701 -1.724 -1.978) 5.383 2.518 ( 3.690 -7.084 -1.783) 8.184 2.659 ( -5.640 -7.649 -5.800) 11.134 2.731 ( -8.859 3.720 -0.348) 9.615 2.977 ( 4.603 -6.848 0.392) 8.261 3.050 ( 0.879 4.448 7.835) 9.053 3.120 ( -4.058 -5.703 2.746) 7.519 3.258 ( 2.477 -3.569 9.729) 10.655 3.468 ( 5.401 -6.684 3.603) 9.318 3.533 ( -3.456 -4.194 -2.116) 5.832 3.585 ( -10.256 7.691 -9.852) 16.168 3.632 ( 3.998 -8.676 -3.816) 10.287 3.839 ( 4.633 1.312 3.260) 5.815 3.964 ( 3.384 2.327 -2.288) 4.701 4.016 ( 0.776 11.228 0.866) 11.288 4.068 ( 2.448 4.967 -0.326) 5.547 4.212 ( 4.063 4.877 -1.504) 6.523 4.323 ( -1.914 1.998 -2.161) 3.511 4.384 ( -1.866 8.676 -0.209) 8.877 4.507 ( -7.387 5.094 2.695) 9.369 4.746 ( -1.092 1.125 6.814) 6.992 4.871 ( -3.883 0.526 -1.546) 4.213 4.997 ( 3.627 3.478 7.857) 9.327 5.201 ( -0.711 0.432 -4.402) 4.480 5.321 ( -2.760 -5.236 8.750) 10.564 5.409 ( 3.138 -3.768 -3.342) 5.934 5.499 ( 0.829 1.516 5.627) 5.887 5.629 ( -0.389 -1.021 -2.693) 2.906 5.687 ( 4.608 3.883 0.057) 6.026 5.827 ( 2.076 0.446 0.070) 2.124 5.973 ( 1.422 3.869 -3.845) 5.637 6.229 ( -8.295 2.491 -5.821) 10.435 6.505 ( -1.049 -0.168 -3.851) 3.995 6.590 ( -11.943 -3.052 -7.735) 14.553 6.761 ( -1.226 1.373 6.746) 6.993 6.820 ( 3.713 2.130 -2.256) 4.838 7.031 ( 1.351 4.858 1.863) 5.375 7.049 ( 2.362 0.658 -1.398) 2.822 7.236 ( 7.418 0.861 6.653) 10.002 7.373 ( -1.541 4.097 -0.533) 4.409 7.401 ( 2.766 7.284 0.096) 7.792 7.558 ( 1.748 4.695 4.059) 6.448 7.807 ( 0.419 -5.067 -0.596) 5.120 7.910 ( -4.178 -7.256 1.349) 8.480 8.039 ( -2.322 2.484 -0.232) 3.408 8.198 ( -5.343 1.685 -8.388) 10.087 8.361 ( 3.153 -1.954 7.066) 7.980 8.667 ( 5.965 3.587 0.666) 6.992 8.682 ( -1.359 0.755 -3.560) 3.885 8.877 ( -1.519 2.246 -0.501) 2.757 10.039 ( 2.865 -5.835 -1.090) 6.591 10.125 ( -4.356 -5.665 -0.683) 7.179 10.491 ( 5.695 -1.705 4.798) 7.639 10.770 ( -5.602 -1.130 -4.625) 7.352 11.312 ( 4.931 -2.256 3.514) 6.461 11.446 ( 2.978 -2.353 -0.181) 3.800 11.484 ( 1.856 -2.483 -1.138) 3.302 11.694 ( -5.102 -2.196 -0.945) 5.634 11.772 ( -0.375 0.469 0.249) 0.650 11.987 ( 8.090 -3.773 6.243) 10.893 12.092 ( 0.142 -0.055 0.141) 0.208 12.134 ( 0.156 -0.321 -0.578) 0.679 12.231 ( -1.374 2.840 1.158) 3.361 12.602 ( -9.800 -3.104 -8.882) 13.585 13.047 ( 1.580 -1.358 3.661) 4.212 13.273 ( -5.411 3.877 -4.775) 8.192 13.664 ( 0.690 0.313 1.985) 2.125 13.716 ( -0.415 1.390 -1.646) 2.194 13.929 ( 2.180 -2.217 0.441) 3.140 14.148 ( -4.594 -1.201 -4.212) 6.347 14.222 ( 8.157 3.097 7.846) 11.734 14.465 ( -3.221 2.477 -0.504) 4.095 14.557 ( 1.348 0.086 0.741) 1.541 14.690 ( -1.348 1.959 -1.489) 2.806 14.829 ( 3.966 -0.216 5.363) 6.673 15.127 ( -3.695 7.911 -6.883) 11.118 16.424 ( 1.675 0.869 1.063) 2.165 16.472 ( 0.124 0.948 -0.402) 1.037 20.188 ( 1.101 -1.451 0.566) 1.907 20.256 ( -1.801 -0.199 -0.960) 2.050 20.317 ( 2.112 -2.032 1.096) 3.129 20.404 ( -1.733 -0.769 -0.474) 1.954 24.455 ( 2.223 1.885 -1.169) 3.140 24.489 ( -1.270 0.936 0.601) 1.688 24.722 ( 2.260 1.596 1.936) 3.376 24.830 ( -0.859 3.402 -2.394) 4.248 26.152 ( -0.911 -4.321 4.424) 6.251 26.234 ( -1.790 -4.380 -3.376) 5.813 26.390 ( 0.864 1.310 8.198) 8.347 26.558 ( -0.788 1.757 -5.948) 6.252 27.065 ( 1.126 1.918 -1.100) 2.481 27.083 ( 1.127 4.252 -1.068) 4.527 27.334 ( -0.263 -2.692 4.128) 4.935 27.446 ( -1.423 -2.893 -6.369) 7.138 28.233 ( -0.068 0.817 -0.181) 0.839 28.241 ( 0.339 -0.380 0.118) 0.523 28.416 ( 4.548 1.632 2.590) 5.482 28.597 ( -1.951 -0.936 1.900) 2.880 28.771 ( 0.455 -3.515 -1.281) 3.769 28.899 ( -3.502 -4.580 -3.028) 6.512 29.333 ( 3.664 -2.330 2.540) 5.031 29.470 ( -3.673 -0.846 -0.658) 3.827 ======================= Grid point 234 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 5.688 -0.415 -0.176) 5.706 1.606 ( -0.997 -1.200 -3.277) 3.629 1.988 ( 9.067 4.853 1.072) 10.339 2.180 ( -5.334 4.169 -1.186) 6.873 2.217 ( 1.234 6.586 -5.063) 8.399 2.288 ( -10.313 5.632 -0.426) 11.758 2.530 ( 5.830 2.077 2.318) 6.609 2.650 ( -0.986 0.680 -0.803) 1.442 2.676 ( 3.398 -5.247 0.807) 6.303 2.756 ( -5.017 -4.969 -4.573) 8.413 2.903 ( -1.512 5.762 8.312) 10.227 3.133 ( 2.799 -4.405 -1.935) 5.566 3.184 ( -2.774 3.081 -0.801) 4.222 3.312 ( -5.016 3.544 -6.883) 9.225 3.406 ( 2.997 -5.078 8.599) 10.426 3.519 ( -5.031 1.860 -0.857) 5.432 3.600 ( 1.169 4.435 0.595) 4.625 3.750 ( -0.649 -2.556 -7.629) 8.072 3.809 ( -1.025 4.206 1.456) 4.567 3.849 ( 0.926 0.039 -0.633) 1.123 3.992 ( 7.826 -2.386 2.104) 8.448 4.079 ( 4.763 -5.196 -1.282) 7.164 4.159 ( 2.507 1.362 1.032) 3.034 4.284 ( -2.628 1.371 -3.130) 4.311 4.350 ( 3.876 -3.705 2.671) 5.990 4.478 ( -8.271 -3.806 -1.315) 9.199 4.768 ( -1.407 -3.405 8.050) 8.853 4.881 ( -2.142 -2.830 -2.219) 4.186 4.967 ( 8.057 0.674 8.853) 11.989 5.169 ( -2.342 -0.908 -2.494) 3.539 5.415 ( -2.930 -1.670 8.705) 9.336 5.487 ( 2.450 -3.444 -2.559) 4.941 5.493 ( 1.965 -0.763 6.138) 6.490 5.621 ( 3.248 2.865 1.341) 4.534 5.649 ( 3.294 1.552 -1.479) 3.930 5.806 ( 1.665 2.936 4.285) 5.455 5.905 ( -0.017 4.580 -10.868) 11.794 6.068 ( -16.855 2.503 -11.371) 20.485 6.516 ( -2.313 -1.943 -0.954) 3.168 6.579 ( -2.997 -2.805 -6.266) 7.491 6.735 ( -0.589 1.790 7.468) 7.702 6.863 ( 1.606 -1.791 -6.445) 6.879 6.985 ( 0.980 0.821 3.767) 3.978 7.061 ( -0.664 -1.574 -1.465) 2.250 7.266 ( 4.352 1.076 3.644) 5.778 7.313 ( 5.944 3.531 1.684) 7.116 7.348 ( 1.842 -2.764 4.937) 5.950 7.502 ( 1.748 2.341 3.067) 4.236 7.886 ( 4.946 -0.593 0.362) 4.994 7.960 ( -1.020 -2.116 4.752) 5.301 8.073 ( -12.982 -2.609 -7.899) 15.418 8.115 ( -2.994 -3.006 -8.129) 9.169 8.483 ( 7.160 -5.158 6.032) 10.688 8.615 ( 8.000 6.274 3.877) 10.880 8.667 ( -2.373 -1.028 -4.359) 5.068 8.787 ( -6.653 4.266 -2.007) 8.154 10.105 ( 2.692 0.911 0.051) 2.842 10.160 ( -4.135 -0.239 -1.445) 4.386 10.557 ( 7.063 -0.601 4.171) 8.225 10.734 ( -7.020 0.575 -3.687) 7.950 11.331 ( 3.595 2.640 2.806) 5.269 11.429 ( -1.825 3.118 -2.200) 4.230 11.520 ( 4.253 2.138 3.554) 5.941 11.697 ( -7.071 -0.349 -5.395) 8.902 11.791 ( 7.834 -1.760 6.193) 10.140 12.036 ( -5.583 -2.933 -3.722) 7.323 12.127 ( 2.535 0.103 1.520) 2.958 12.140 ( -0.477 -1.039 -0.007) 1.144 12.222 ( 9.516 0.498 6.437) 11.500 12.561 ( -12.626 -0.173 -8.939) 15.471 13.077 ( 2.059 -0.466 2.618) 3.364 13.188 ( -5.362 1.494 -4.329) 7.052 13.675 ( 0.427 -0.677 1.399) 1.611 13.703 ( 0.026 -0.521 -1.084) 1.203 14.016 ( 5.087 -4.077 2.512) 6.986 14.146 ( -4.826 -1.332 -3.027) 5.850 14.235 ( 9.832 1.503 6.868) 12.087 14.414 ( -4.078 0.801 -1.795) 4.527 14.589 ( 2.518 -2.280 0.871) 3.507 14.655 ( -1.977 0.631 -0.690) 2.187 14.883 ( -0.703 -3.392 2.831) 4.474 14.984 ( -1.092 3.984 -5.763) 7.091 16.404 ( 0.827 1.814 1.658) 2.593 16.446 ( -0.876 1.349 -1.129) 1.965 20.204 ( 1.029 0.214 0.410) 1.128 20.245 ( -1.792 0.384 -1.421) 2.319 20.359 ( 2.346 -0.775 1.560) 2.922 20.410 ( -1.567 -0.647 -0.631) 1.809 24.442 ( 2.225 0.732 -0.399) 2.376 24.471 ( -1.927 -0.118 -0.498) 1.993 24.705 ( 1.833 1.396 1.491) 2.744 24.764 ( -2.167 2.214 -1.479) 3.433 26.237 ( -1.217 -4.291 5.703) 7.240 26.280 ( 0.667 0.904 1.993) 2.288 26.395 ( 1.984 -2.560 1.546) 3.589 26.518 ( -1.559 1.291 -6.699) 6.998 27.019 ( 0.461 2.295 0.436) 2.381 27.041 ( -0.270 0.950 -1.300) 1.632 27.369 ( -0.268 -0.574 4.448) 4.493 27.476 ( 0.051 -0.760 -7.056) 7.097 28.224 ( 0.458 -0.365 0.535) 0.793 28.242 ( -0.180 -0.290 -0.599) 0.689 28.404 ( 4.365 2.987 2.972) 6.067 28.539 ( -6.751 2.723 -3.105) 7.914 28.842 ( 3.004 -0.794 4.804) 5.721 28.946 ( -1.221 -2.433 -2.287) 3.556 29.382 ( 4.475 1.283 2.173) 5.137 29.495 ( -3.936 -4.406 -2.739) 6.512 ======================= Grid point 235 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 5.089 1.849 1.060) 5.517 1.575 ( -3.869 3.392 -3.331) 6.130 1.936 ( 6.644 4.605 1.646) 8.249 2.007 ( -8.874 6.194 -5.492) 12.136 2.109 ( -6.179 6.013 1.498) 8.750 2.135 ( 5.868 7.510 -1.281) 9.616 2.453 ( 8.047 9.257 8.917) 15.164 2.554 ( -2.185 8.714 -0.930) 9.032 2.719 ( 0.301 0.080 -0.354) 0.472 2.779 ( -2.891 0.106 -4.586) 5.422 2.945 ( -0.038 -7.439 2.719) 7.921 3.046 ( -2.221 -1.245 -6.505) 6.985 3.210 ( -2.797 -0.829 6.336) 6.975 3.342 ( 4.618 -1.357 -5.036) 6.966 3.399 ( -2.624 5.674 -1.235) 6.372 3.452 ( 0.035 6.455 -4.225) 7.715 3.505 ( 3.565 0.293 13.851) 14.305 3.717 ( -2.953 1.687 -6.599) 7.424 3.795 ( 0.383 0.003 -0.173) 0.421 3.856 ( 0.102 -0.361 -7.841) 7.850 4.092 ( 4.614 -0.546 4.802) 6.682 4.136 ( 1.723 3.352 -0.243) 3.777 4.276 ( -2.939 -11.245 1.930) 11.782 4.346 ( -0.800 -8.710 -5.055) 10.102 4.437 ( -0.858 -1.180 4.833) 5.048 4.500 ( -1.649 -3.259 -2.011) 4.170 4.841 ( -3.731 -5.593 4.634) 8.165 4.896 ( 2.077 -0.766 -0.425) 2.255 5.103 ( 5.247 -6.154 8.388) 11.652 5.201 ( 0.138 -1.312 -0.958) 1.630 5.383 ( 0.767 2.827 3.813) 4.808 5.454 ( -2.134 5.740 -0.623) 6.156 5.548 ( -6.381 -3.050 3.576) 7.925 5.654 ( 2.765 -4.565 -6.984) 8.790 5.702 ( 8.928 -4.074 5.949) 11.476 5.792 ( 1.908 -2.202 4.848) 5.657 5.831 ( 0.634 -1.166 -6.125) 6.267 6.001 ( -11.247 -3.993 -12.134) 17.020 6.543 ( -2.149 -1.822 3.080) 4.174 6.633 ( 0.899 -2.563 -5.449) 6.088 6.713 ( 0.537 -0.132 7.024) 7.046 6.856 ( -1.819 0.759 -7.518) 7.772 7.010 ( 0.399 -2.043 6.783) 7.095 7.113 ( -2.024 -5.105 -3.575) 6.553 7.314 ( -0.996 -4.920 3.233) 5.971 7.349 ( 9.329 -1.754 2.287) 9.764 7.426 ( 0.831 -2.970 2.330) 3.865 7.482 ( -0.226 0.245 -0.568) 0.659 7.933 ( -1.509 -2.776 1.845) 3.659 7.995 ( 3.993 -0.041 4.746) 6.202 8.029 ( -1.177 -1.739 -3.706) 4.259 8.169 ( -6.735 -2.486 -9.111) 11.600 8.525 ( 2.321 7.046 4.173) 8.512 8.602 ( -1.279 1.546 -3.827) 4.321 8.642 ( 2.020 -0.906 3.847) 4.439 8.716 ( -1.551 -2.499 -3.474) 4.552 10.041 ( 1.244 6.674 1.530) 6.959 10.079 ( -1.382 6.415 -2.454) 7.006 10.592 ( 7.328 1.944 3.615) 8.400 10.655 ( -8.049 2.782 -3.042) 9.043 11.284 ( 3.725 4.231 2.828) 6.307 11.332 ( -1.701 5.143 -2.058) 5.795 11.469 ( 4.888 5.334 6.203) 9.530 11.608 ( -7.824 3.736 -8.452) 12.109 11.922 ( 10.944 -3.698 8.600) 14.401 12.050 ( -8.305 -2.092 -5.140) 9.988 12.137 ( 0.895 -0.925 1.379) 1.886 12.169 ( -1.807 -2.894 -1.784) 3.850 12.291 ( 14.702 0.717 8.788) 17.143 12.455 ( -13.676 2.184 -8.332) 16.162 13.094 ( 1.449 -0.000 1.457) 2.055 13.136 ( -4.157 0.817 -3.509) 5.501 13.697 ( -0.373 -1.693 1.820) 2.513 13.734 ( 0.048 -2.389 -2.004) 3.118 14.126 ( 3.020 -3.475 1.464) 4.832 14.143 ( -3.254 -1.487 -0.458) 3.607 14.287 ( 11.287 -0.100 5.655) 12.625 14.373 ( -6.297 0.178 -3.472) 7.193 14.639 ( -2.118 -0.915 2.502) 3.403 14.674 ( 1.311 -4.420 -1.347) 4.803 14.941 ( -1.162 -3.903 0.318) 4.085 14.981 ( 0.254 -3.291 -3.743) 4.990 16.371 ( 1.652 2.213 2.350) 3.626 16.410 ( -1.528 1.475 -1.780) 2.771 20.194 ( 0.606 1.437 0.379) 1.605 20.215 ( -1.259 1.647 -1.719) 2.693 20.376 ( 2.130 0.367 2.139) 3.040 20.408 ( -1.593 -0.178 -1.173) 1.987 24.452 ( 2.249 -0.352 0.368) 2.306 24.469 ( -2.414 -0.980 -1.446) 2.979 24.698 ( 2.984 0.610 1.161) 3.259 24.718 ( -2.463 0.988 -1.016) 2.841 26.209 ( -0.716 4.380 6.424) 7.808 26.293 ( -0.317 0.555 0.145) 0.655 26.466 ( 3.313 -1.135 1.259) 3.722 26.544 ( -2.872 -7.504 -4.528) 9.223 26.995 ( 0.500 0.575 1.325) 1.529 27.027 ( -0.185 0.315 -1.941) 1.975 27.354 ( -0.939 1.748 4.831) 5.222 27.472 ( 1.253 1.120 -7.996) 8.171 28.255 ( 0.458 -2.175 0.303) 2.243 28.261 ( 0.324 -1.192 -0.210) 1.253 28.348 ( 2.874 4.846 3.350) 6.555 28.418 ( -5.254 5.632 -4.280) 8.811 28.850 ( 2.049 0.778 7.394) 7.712 28.977 ( -0.404 -0.977 -5.886) 5.980 29.349 ( 2.352 3.751 11.117) 11.966 29.553 ( -2.711 -2.845 -10.379) 11.098 ======================= Grid point 236 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -4.407 5.927 1.453) 7.527 1.522 ( 3.496 2.041 -1.285) 4.247 1.803 ( -4.531 9.243 -1.238) 10.368 1.899 ( 1.297 5.880 0.286) 6.028 1.927 ( 6.667 12.103 0.510) 13.828 2.009 ( 6.210 7.829 -1.841) 10.161 2.363 ( 3.125 3.506 8.555) 9.760 2.421 ( 0.462 0.490 -0.751) 1.009 2.705 ( -8.411 -0.324 -5.028) 9.805 2.771 ( 7.181 1.467 -1.266) 7.438 3.065 ( 1.690 -1.583 3.799) 4.449 3.111 ( -2.515 -3.859 -2.976) 5.484 3.181 ( -1.217 2.237 6.329) 6.822 3.282 ( -3.582 3.245 -2.744) 5.558 3.323 ( -1.013 3.919 -3.849) 5.586 3.359 ( 2.984 3.589 -2.474) 5.283 3.497 ( 0.014 2.808 11.385) 11.726 3.681 ( 1.702 0.538 -6.547) 6.786 3.781 ( -3.197 1.385 -2.122) 4.080 3.873 ( 3.017 -0.282 -2.299) 3.804 3.988 ( -4.448 5.977 2.561) 7.879 4.121 ( 4.684 2.197 -0.856) 5.244 4.321 ( -3.494 3.766 0.343) 5.148 4.435 ( 4.843 5.602 -4.208) 8.517 4.522 ( 0.672 -12.022 4.383) 12.814 4.616 ( 1.941 -8.435 -4.373) 9.698 4.942 ( -1.571 -6.871 6.765) 9.770 4.992 ( -2.856 -5.980 -0.576) 6.652 5.185 ( 2.995 1.912 3.245) 4.812 5.239 ( -0.946 -3.296 -4.077) 5.328 5.253 ( -6.014 3.562 4.158) 8.133 5.422 ( 2.575 -2.564 -6.712) 7.633 5.616 ( -2.979 -5.672 7.232) 9.662 5.699 ( -3.618 -1.958 -3.112) 5.158 5.838 ( -2.780 -6.432 4.444) 8.298 5.934 ( 9.888 -5.834 6.448) 13.167 5.987 ( -1.466 -10.135 -7.757) 12.847 6.063 ( -0.254 -7.084 -7.951) 10.652 6.549 ( -0.446 0.279 6.709) 6.730 6.664 ( 0.091 0.140 -6.081) 6.083 6.761 ( 0.139 -3.991 6.283) 7.444 6.872 ( 0.186 -4.047 -5.543) 6.865 7.070 ( -2.215 -4.790 10.007) 11.313 7.249 ( -0.459 -9.986 -3.485) 10.587 7.377 ( -5.881 -0.830 -4.455) 7.424 7.425 ( 6.477 -0.192 4.250) 7.749 7.506 ( 2.005 -5.288 0.527) 5.680 7.539 ( -0.763 -8.291 -2.182) 8.607 7.929 ( -7.321 -0.625 4.215) 8.470 8.049 ( 3.440 2.978 -0.610) 4.590 8.116 ( 6.860 -4.674 4.075) 9.247 8.159 ( -5.501 -6.101 -8.605) 11.897 8.354 ( -4.415 7.814 5.996) 10.794 8.511 ( 3.026 5.632 -5.277) 8.290 8.727 ( -0.120 -3.650 0.905) 3.762 8.776 ( 2.026 -2.765 -3.202) 4.691 9.868 ( -2.334 10.157 0.380) 10.429 9.920 ( 3.864 9.996 -1.040) 10.767 10.520 ( -7.516 4.483 -0.967) 8.804 10.589 ( 7.541 4.161 1.840) 8.808 11.188 ( -1.951 6.541 0.134) 6.827 11.228 ( 4.560 6.097 0.346) 7.621 11.395 ( 5.251 5.666 7.984) 11.110 11.473 ( -5.751 5.143 -8.297) 11.330 11.998 ( -3.682 0.965 -0.272) 3.816 12.029 ( 2.578 -0.157 0.590) 2.649 12.158 ( -2.811 -0.463 2.260) 3.637 12.234 ( 3.771 -2.148 -1.200) 4.503 12.321 ( -15.803 -0.309 -6.177) 16.970 12.407 ( 16.358 -2.170 6.710) 17.813 13.074 ( -6.731 0.377 -1.817) 6.982 13.125 ( 5.173 0.033 0.790) 5.233 13.738 ( -1.310 -2.675 2.398) 3.824 13.788 ( -0.006 -3.117 -2.177) 3.802 14.155 ( -0.114 -1.540 3.323) 3.664 14.198 ( -0.090 -2.638 -1.401) 2.988 14.326 ( -9.266 -0.433 -5.294) 10.681 14.379 ( 10.712 -2.260 2.838) 11.309 14.683 ( -0.026 -4.389 6.370) 7.736 14.767 ( -1.071 -4.908 -3.436) 6.087 14.987 ( -14.238 -5.296 -4.446) 15.828 15.121 ( 13.584 -6.186 0.767) 14.946 16.345 ( 3.500 2.208 3.217) 5.241 16.367 ( -1.352 1.874 -2.736) 3.581 20.143 ( -1.736 3.712 -0.340) 4.111 20.168 ( 1.324 3.102 -1.017) 3.523 20.378 ( 1.001 0.360 2.171) 2.417 20.398 ( -1.232 0.152 -1.526) 1.968 24.478 ( -0.852 -1.251 -0.826) 1.725 24.483 ( 1.088 -1.439 0.037) 1.805 24.693 ( -2.290 0.124 -1.038) 2.517 24.725 ( 5.605 -0.675 0.683) 5.687 26.119 ( -0.311 4.393 5.900) 7.363 26.223 ( -0.531 5.078 -5.282) 7.347 26.525 ( -4.083 -4.306 10.660) 12.201 26.698 ( -0.091 -8.174 -5.533) 9.871 27.002 ( 2.318 -0.178 0.554) 2.389 27.020 ( 1.061 0.521 -2.279) 2.567 27.304 ( -1.444 2.577 5.531) 6.271 27.452 ( 1.738 1.099 -9.138) 9.367 28.197 ( 1.023 8.747 1.030) 8.867 28.204 ( -0.717 8.051 -0.751) 8.117 28.339 ( -1.888 -3.312 -0.367) 3.830 28.362 ( 2.114 -2.874 -0.074) 3.568 28.867 ( 3.029 -0.534 7.193) 7.823 28.947 ( -3.948 3.190 -6.010) 7.867 29.304 ( 2.318 1.988 15.175) 15.479 29.546 ( -3.659 1.167 -15.481) 15.951 ======================= Grid point 240 (114/141) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 2.591 -0.000 17.780) 17.968 1.280 ( 6.512 -0.000 -6.494) 9.197 1.453 ( 10.493 -0.000 -14.873) 18.202 1.567 ( 13.244 -0.000 14.182) 19.405 1.807 ( -0.561 0.000 -13.148) 13.160 1.875 ( 9.080 -0.000 0.720) 9.108 2.217 ( -8.146 0.000 2.334) 8.474 2.544 ( -3.322 0.000 3.207) 4.617 2.617 ( -9.426 0.000 -8.339) 12.585 2.675 ( 1.703 -0.000 -3.040) 3.485 2.986 ( -5.871 0.000 -0.353) 5.882 3.020 ( 0.884 -0.000 8.257) 8.304 3.162 ( 13.961 -0.000 -4.466) 14.657 3.247 ( 18.004 -0.000 7.953) 19.682 3.280 ( -0.770 0.000 -7.362) 7.402 3.395 ( 3.331 -0.000 5.420) 6.362 3.566 ( 6.644 -0.000 13.462) 15.012 3.567 ( 0.627 -0.000 -1.534) 1.657 3.878 ( 6.105 -0.000 -8.337) 10.333 3.974 ( 0.054 -0.000 -6.957) 6.957 4.026 ( 2.774 -0.000 8.161) 8.619 4.135 ( -0.504 0.000 6.868) 6.886 4.146 ( 0.207 -0.000 0.102) 0.230 4.419 ( 2.300 -0.000 -4.461) 5.019 4.604 ( -6.281 0.000 3.011) 6.965 4.750 ( 1.127 -0.000 3.028) 3.231 5.082 ( -12.542 0.000 4.449) 13.308 5.092 ( -8.922 0.000 -2.828) 9.360 5.144 ( 7.253 -0.000 -4.850) 8.725 5.228 ( -0.417 0.000 -4.782) 4.800 5.363 ( 5.536 -0.000 -0.457) 5.555 5.540 ( 2.563 -0.000 -6.159) 6.671 5.673 ( -3.919 0.000 0.132) 3.921 5.687 ( -7.105 0.000 7.173) 10.096 5.768 ( -6.304 0.000 3.374) 7.150 6.110 ( -6.533 0.000 -4.238) 7.787 6.197 ( -3.132 0.000 -3.268) 4.527 6.372 ( -4.960 0.000 -11.833) 12.830 6.486 ( 0.668 -0.000 10.065) 10.087 6.675 ( 0.461 -0.000 -0.560) 0.725 6.922 ( -0.175 0.000 1.221) 1.234 7.117 ( -1.784 0.000 8.815) 8.994 7.188 ( -0.270 0.000 0.618) 0.675 7.285 ( 0.005 -0.000 2.547) 2.547 7.352 ( 1.510 -0.000 1.081) 1.857 7.535 ( -4.880 0.000 2.421) 5.448 7.648 ( -0.096 0.000 4.568) 4.569 7.729 ( -4.693 0.000 0.647) 4.737 7.809 ( -1.469 0.000 0.467) 1.541 7.938 ( -11.717 0.000 -17.113) 20.740 8.378 ( 10.380 -0.000 4.145) 11.177 8.483 ( 2.615 -0.000 4.436) 5.149 8.597 ( 2.742 -0.000 0.820) 2.862 8.882 ( 3.117 -0.000 0.795) 3.217 8.923 ( 3.290 -0.000 0.823) 3.391 8.939 ( 5.687 -0.000 -2.329) 6.145 9.313 ( 6.674 -0.000 1.710) 6.889 9.738 ( 2.321 -0.000 1.888) 2.992 10.254 ( 1.142 -0.000 2.494) 2.743 10.479 ( 0.458 -0.000 -2.396) 2.440 10.939 ( 2.730 -0.000 -6.555) 7.101 11.000 ( 4.497 -0.000 1.946) 4.900 11.137 ( -0.226 0.000 3.069) 3.077 11.214 ( 0.820 -0.000 -1.900) 2.069 11.649 ( -5.729 0.000 11.492) 12.841 11.892 ( -4.864 0.000 -3.378) 5.922 12.062 ( -1.753 0.000 -0.569) 1.843 12.122 ( -0.160 0.000 0.151) 0.220 12.232 ( -6.515 0.000 -8.433) 10.656 12.321 ( 1.274 -0.000 -2.397) 2.714 12.929 ( 0.469 -0.000 7.444) 7.459 13.681 ( -3.222 0.000 -6.497) 7.252 13.736 ( -0.805 0.000 1.861) 2.028 13.931 ( -9.987 0.000 -15.110) 18.113 14.203 ( -0.345 0.000 -2.800) 2.822 14.316 ( 6.546 -0.000 2.963) 7.186 14.406 ( 1.931 -0.000 3.641) 4.121 14.702 ( -6.174 0.000 -2.648) 6.718 14.779 ( -6.918 0.000 -4.934) 8.497 14.922 ( 6.465 -0.000 -2.536) 6.945 15.352 ( 0.495 -0.000 2.997) 3.037 15.548 ( 1.100 -0.000 -0.839) 1.383 16.297 ( 2.566 -0.000 1.971) 3.235 16.396 ( 2.459 -0.000 -3.129) 3.980 19.918 ( 1.552 -0.000 -1.069) 1.885 19.972 ( 1.600 -0.000 1.365) 2.103 20.343 ( -0.363 0.000 -0.472) 0.595 20.438 ( 0.446 -0.000 0.538) 0.699 24.586 ( -0.350 0.000 2.245) 2.272 24.592 ( 2.105 -0.000 -3.122) 3.765 24.783 ( 6.842 -0.000 4.283) 8.072 25.076 ( 5.672 -0.000 -9.840) 11.358 25.970 ( 1.002 -0.000 -5.508) 5.599 26.073 ( -4.376 0.000 6.138) 7.538 26.393 ( 0.133 -0.000 9.791) 9.792 26.918 ( -9.789 0.000 1.240) 9.868 26.984 ( 0.630 -0.000 -1.344) 1.485 27.049 ( 0.594 -0.000 0.335) 0.682 27.181 ( 2.495 -0.000 2.676) 3.659 27.549 ( -3.799 0.000 -7.463) 8.374 27.865 ( -0.575 0.000 -1.733) 1.826 27.921 ( -3.679 0.000 -2.521) 4.460 28.120 ( -4.829 0.000 -1.523) 5.063 28.151 ( -6.520 0.000 0.638) 6.551 28.711 ( 4.046 -0.000 -0.822) 4.129 28.844 ( -5.046 0.000 5.793) 7.683 29.421 ( 17.517 -0.000 -6.670) 18.744 29.722 ( 1.730 -0.000 6.318) 6.550 ======================= Grid point 241 (115/141) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.065 -1.388 12.005) 12.132 1.353 ( 4.995 0.214 -7.731) 9.207 1.565 ( 9.924 -10.418 -0.515) 14.397 1.783 ( 8.895 -9.731 5.594) 14.321 1.881 ( 0.016 -8.555 -12.444) 15.102 1.970 ( 6.358 -3.897 -0.181) 7.460 2.196 ( -0.771 -1.961 4.961) 5.390 2.523 ( 0.058 0.377 1.249) 1.305 2.585 ( -6.698 -2.721 -8.415) 11.094 2.682 ( -0.696 0.312 -1.680) 1.845 2.914 ( -8.225 1.680 -3.305) 9.022 3.009 ( -4.526 1.161 4.645) 6.588 3.162 ( 3.573 3.110 2.273) 5.254 3.279 ( 8.493 2.805 -5.125) 10.309 3.341 ( 0.353 -1.901 -4.206) 4.629 3.472 ( 11.646 -1.955 13.094) 17.633 3.547 ( 2.680 2.597 1.008) 3.866 3.600 ( 5.314 1.705 9.124) 10.695 3.891 ( 3.390 0.449 -5.580) 6.544 3.986 ( 3.501 -1.308 -2.389) 4.436 4.086 ( 3.194 -0.915 4.293) 5.429 4.141 ( 1.726 -3.027 3.403) 4.871 4.250 ( 3.151 -7.440 -0.830) 8.122 4.477 ( 1.318 -4.818 -4.373) 6.639 4.582 ( -3.583 -0.849 5.636) 6.732 4.762 ( 0.093 -0.059 4.262) 4.263 4.950 ( -9.338 5.680 5.326) 12.158 5.018 ( -8.978 1.805 -6.504) 11.233 5.168 ( 4.205 0.032 -7.390) 8.503 5.265 ( 4.706 1.006 -4.374) 6.503 5.302 ( 0.822 3.934 1.153) 4.181 5.564 ( 0.857 4.270 -5.197) 6.781 5.597 ( -7.869 5.451 8.065) 12.517 5.652 ( -2.936 -1.933 -2.040) 4.064 5.731 ( -3.193 -2.336 4.016) 5.637 6.049 ( -7.486 0.902 -6.596) 10.019 6.106 ( -0.848 6.986 -0.992) 7.107 6.365 ( -6.692 -1.451 -7.491) 10.149 6.504 ( 0.397 -0.055 5.456) 5.470 6.672 ( -0.671 0.748 -2.616) 2.803 6.916 ( 3.721 1.891 4.619) 6.226 7.082 ( 3.315 5.252 2.526) 6.705 7.169 ( 0.922 1.928 1.583) 2.659 7.229 ( -2.999 0.067 4.448) 5.365 7.354 ( -4.147 1.755 3.168) 5.506 7.448 ( -5.460 5.238 2.809) 8.071 7.592 ( -0.966 -0.953 -1.912) 2.344 7.731 ( 4.465 -0.073 -0.762) 4.530 7.834 ( -10.961 -0.540 -3.498) 11.519 7.967 ( -4.534 -6.644 -5.728) 9.875 8.337 ( 1.564 14.882 5.500) 15.943 8.358 ( 5.536 3.900 -0.166) 6.774 8.646 ( 3.156 -0.105 -0.192) 3.164 8.777 ( 0.418 9.743 -3.736) 10.443 8.906 ( 5.626 3.347 2.787) 7.115 8.924 ( 5.012 2.734 1.800) 5.986 9.478 ( 5.612 -9.311 1.325) 10.952 9.762 ( -1.364 -2.587 0.084) 2.926 10.302 ( 3.119 -3.245 4.138) 6.114 10.528 ( -0.877 -4.828 -3.013) 5.758 11.028 ( 3.183 -6.222 -5.439) 8.856 11.048 ( 4.996 -2.536 1.382) 5.771 11.201 ( -2.394 -5.844 -0.090) 6.316 11.278 ( -1.982 -7.069 -1.351) 7.465 11.652 ( 0.885 -1.796 13.402) 13.551 11.878 ( 2.110 0.606 0.980) 2.404 12.061 ( -1.377 -0.934 -0.704) 1.806 12.109 ( 0.470 0.531 0.265) 0.757 12.250 ( -7.030 -5.000 -8.265) 11.947 12.355 ( -1.693 -2.984 -2.905) 4.496 12.946 ( 1.571 -0.810 9.013) 9.185 13.621 ( -7.753 2.166 -10.359) 13.119 13.736 ( -1.058 -0.188 1.020) 1.482 13.857 ( -5.940 1.859 -13.157) 14.555 14.110 ( 1.474 8.532 2.188) 8.930 14.313 ( 2.288 3.949 -1.596) 4.835 14.381 ( 0.054 1.659 3.303) 3.697 14.678 ( -4.781 -0.225 -2.822) 5.556 14.716 ( 0.152 3.909 0.260) 3.921 14.898 ( 3.155 4.878 -2.730) 6.419 15.203 ( 4.316 11.803 6.470) 14.135 15.544 ( -3.465 2.093 -4.768) 6.254 16.357 ( 2.285 -3.300 1.786) 4.393 16.415 ( 1.955 -1.080 -1.380) 2.626 19.955 ( 1.762 -3.083 0.675) 3.615 20.038 ( 0.018 -5.145 -0.378) 5.159 20.329 ( 0.492 1.382 0.265) 1.491 20.429 ( -0.675 0.826 0.057) 1.068 24.576 ( -0.396 0.915 2.236) 2.449 24.589 ( 1.987 1.453 -2.836) 3.756 24.808 ( 6.266 1.664 4.944) 8.153 25.064 ( 3.315 3.285 -8.468) 9.669 25.994 ( 1.695 -1.392 -4.558) 5.058 26.052 ( -4.934 -1.200 5.314) 7.351 26.400 ( 1.810 0.634 9.427) 9.620 26.770 ( -8.175 6.070 -3.635) 10.812 27.025 ( 2.919 -2.838 0.372) 4.088 27.126 ( -0.058 -5.276 1.281) 5.429 27.211 ( 2.274 -0.845 2.459) 3.454 27.477 ( -5.201 3.751 -7.818) 10.111 27.910 ( -0.140 -3.582 0.233) 3.592 27.956 ( 0.778 -7.410 -0.865) 7.501 28.202 ( -5.971 -7.640 -2.226) 9.948 28.210 ( -4.105 -10.177 0.265) 10.977 28.693 ( 3.608 3.690 0.939) 5.246 28.820 ( -5.415 0.169 2.953) 6.170 29.469 ( 13.084 4.426 -5.179) 14.751 29.670 ( -0.954 5.170 4.525) 6.937 ======================= Grid point 242 (116/141) ======================= q-point: ( 0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -1.581 -1.470 6.536) 6.884 1.377 ( 1.014 -1.911 -3.846) 4.413 1.903 ( 9.175 -15.207 -3.120) 18.032 1.975 ( 0.828 -7.577 1.905) 7.857 2.087 ( 1.827 -7.786 0.471) 8.012 2.104 ( 0.663 -11.376 -8.103) 13.982 2.316 ( 8.260 -6.337 4.567) 11.369 2.512 ( 2.348 2.050 -3.016) 4.337 2.622 ( -3.451 -0.401 -0.867) 3.581 2.685 ( 4.516 -3.526 -5.073) 7.652 2.821 ( -9.759 2.051 -0.224) 9.975 2.949 ( -8.255 0.486 -1.046) 8.335 3.167 ( 5.904 -0.339 6.692) 8.930 3.237 ( 2.918 3.317 2.314) 4.987 3.367 ( -0.195 -1.702 1.242) 2.116 3.471 ( -3.892 3.298 -1.185) 5.237 3.545 ( 8.298 3.701 3.029) 9.577 3.600 ( 0.272 -1.522 4.076) 4.360 3.927 ( 4.684 -1.128 -3.667) 6.054 4.028 ( 1.275 1.685 -1.187) 2.424 4.084 ( 3.378 0.229 4.294) 5.468 4.221 ( 2.316 -2.413 -2.348) 4.086 4.435 ( 6.056 -5.127 -1.717) 8.118 4.531 ( -4.157 4.143 1.245) 5.999 4.627 ( -0.469 -4.326 6.129) 7.517 4.737 ( -0.505 -1.109 -1.316) 1.793 4.794 ( -8.256 3.038 7.796) 11.755 4.933 ( -4.312 2.017 -7.263) 8.684 5.123 ( 5.750 13.626 -0.850) 14.814 5.160 ( 0.102 4.659 -3.664) 5.928 5.322 ( -1.155 -2.446 0.199) 2.713 5.408 ( -3.855 5.872 2.347) 7.406 5.510 ( 1.598 -1.591 0.054) 2.256 5.664 ( -1.511 1.534 -2.510) 3.307 5.788 ( 0.764 -1.741 4.687) 5.058 5.935 ( 0.578 7.405 -1.501) 7.578 6.027 ( -2.375 -0.708 -2.811) 3.748 6.315 ( -7.554 1.678 -5.287) 9.372 6.480 ( -0.421 1.783 -0.558) 1.915 6.600 ( -4.299 4.292 -4.793) 7.738 6.888 ( 2.858 3.707 6.085) 7.677 7.011 ( 0.277 4.234 0.316) 4.255 7.096 ( 3.604 4.418 1.318) 5.852 7.204 ( -3.965 0.906 1.354) 4.287 7.312 ( 4.874 0.881 1.907) 5.307 7.457 ( -7.568 -6.918 2.267) 10.502 7.569 ( -2.937 2.724 -2.592) 4.771 7.678 ( -7.988 6.269 -5.780) 11.684 7.772 ( 7.179 3.791 5.865) 10.015 8.027 ( -3.025 0.969 -3.998) 5.106 8.060 ( 4.143 8.518 10.560) 14.186 8.344 ( -2.775 1.228 -5.944) 6.674 8.521 ( 4.698 10.815 -0.611) 11.807 8.635 ( -4.288 3.745 -4.349) 7.164 8.863 ( 6.341 4.402 3.241) 8.372 8.930 ( 2.998 0.278 1.601) 3.410 9.694 ( 4.226 -9.671 0.219) 10.556 9.838 ( -3.696 -6.749 -0.969) 7.756 10.399 ( 4.907 -3.430 5.715) 8.277 10.627 ( -2.930 -5.732 -4.034) 7.597 11.132 ( 4.196 -4.576 1.600) 6.411 11.212 ( 5.775 -7.900 -2.876) 10.199 11.304 ( -2.349 -6.207 -2.687) 7.159 11.420 ( -9.249 -9.557 -1.990) 13.448 11.757 ( 9.004 -4.935 13.299) 16.802 11.886 ( 6.727 1.512 4.147) 8.046 12.074 ( -1.018 -1.011 -0.496) 1.518 12.116 ( 1.018 -0.614 -0.111) 1.194 12.290 ( -7.643 -2.656 -3.171) 8.691 12.403 ( -5.737 -4.837 -8.411) 11.272 12.986 ( 2.812 -1.404 8.969) 9.504 13.490 ( -10.564 4.961 -14.321) 18.474 13.723 ( -0.830 1.142 0.921) 1.686 13.788 ( -2.081 2.087 -7.474) 8.034 13.963 ( 3.238 6.445 6.078) 9.432 14.208 ( -4.471 4.530 -6.220) 8.900 14.363 ( 5.603 2.781 7.035) 9.414 14.619 ( -4.002 3.209 -3.382) 6.145 14.641 ( 2.540 4.620 4.280) 6.791 14.805 ( 0.189 4.670 -3.349) 5.750 15.030 ( 7.308 9.344 8.169) 14.403 15.423 ( -6.385 6.236 -8.086) 12.043 16.419 ( 2.606 -1.456 1.031) 3.158 16.459 ( 0.939 -1.861 0.303) 2.106 20.048 ( 1.898 -4.782 1.631) 5.397 20.144 ( -1.512 -5.611 -1.523) 6.007 20.304 ( 1.764 1.650 1.140) 2.671 20.403 ( -1.962 0.828 -0.530) 2.195 24.548 ( -0.689 1.653 1.909) 2.617 24.558 ( 1.923 2.635 -2.176) 3.921 24.803 ( 4.928 2.416 4.511) 7.105 24.994 ( 0.719 4.508 -6.214) 7.711 26.026 ( -0.242 -1.786 1.589) 2.403 26.078 ( -2.563 -3.221 -1.192) 4.285 26.405 ( 1.628 0.119 9.100) 9.245 26.635 ( -4.779 3.180 -5.141) 7.706 27.099 ( 3.975 -1.697 1.496) 4.574 27.218 ( -1.198 -3.421 3.289) 4.894 27.236 ( 3.647 -0.237 -1.808) 4.078 27.361 ( -6.122 3.085 -7.241) 9.971 28.035 ( 2.706 -7.706 1.759) 8.354 28.146 ( -0.816 -9.243 -0.003) 9.279 28.307 ( 1.132 -6.456 0.208) 6.558 28.444 ( -4.450 -13.743 -3.636) 14.896 28.633 ( 2.503 3.490 2.743) 5.096 28.767 ( -6.387 1.429 -0.047) 6.545 29.414 ( 6.589 6.459 1.441) 9.339 29.552 ( -1.503 5.193 -0.908) 5.482 ======================= Grid point 243 (117/141) ======================= q-point: ( 0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.337 -5.364 2.302) 6.287 1.440 ( -2.260 -4.941 -1.500) 5.637 2.075 ( 6.235 -3.213 0.368) 7.023 2.210 ( 4.716 -7.520 -7.051) 11.336 2.266 ( -2.803 -8.394 0.787) 8.884 2.297 ( -3.511 -8.126 -2.668) 9.246 2.452 ( 3.110 -1.489 1.116) 3.624 2.499 ( 3.805 -1.864 -5.548) 6.981 2.577 ( 2.794 3.002 1.983) 4.555 2.722 ( -10.972 2.274 0.128) 11.206 2.837 ( 6.813 -8.035 -4.409) 11.420 2.933 ( -9.210 -5.602 -1.751) 10.921 3.160 ( 5.978 2.440 10.895) 12.665 3.273 ( 2.828 -0.207 9.466) 9.882 3.407 ( -1.701 -0.738 -2.097) 2.799 3.458 ( 1.543 -7.995 -1.038) 8.209 3.508 ( 2.116 2.090 2.283) 3.750 3.615 ( -4.514 0.152 -4.009) 6.039 3.929 ( 1.028 4.383 0.383) 4.518 3.972 ( 3.346 0.662 -4.017) 5.270 4.131 ( 2.312 -0.724 3.623) 4.358 4.245 ( 2.032 2.194 -5.300) 6.085 4.316 ( -2.466 10.734 1.334) 11.094 4.388 ( -2.913 9.127 -2.537) 9.911 4.561 ( -0.577 7.257 3.601) 8.122 4.681 ( -4.424 8.806 -0.027) 9.855 4.833 ( 2.999 6.038 3.921) 7.799 4.900 ( 0.191 3.310 -0.843) 3.421 4.992 ( -2.166 -4.956 5.548) 7.748 5.039 ( -3.135 -5.013 1.613) 6.129 5.319 ( -3.261 1.233 4.089) 5.373 5.402 ( 6.167 -1.218 -9.813) 11.654 5.556 ( -3.704 3.096 5.758) 7.514 5.601 ( 4.395 0.044 -2.718) 5.168 5.783 ( 6.373 2.872 1.724) 7.199 5.859 ( 1.616 1.939 -1.455) 2.914 6.036 ( 0.955 0.674 1.611) 1.990 6.223 ( -9.138 2.249 -6.250) 11.298 6.474 ( -3.838 -1.917 -2.255) 4.847 6.507 ( -1.611 1.526 -4.953) 5.427 6.813 ( -1.795 4.234 6.867) 8.265 6.908 ( 1.122 5.063 -3.814) 6.437 7.068 ( 2.762 1.622 -0.910) 3.330 7.138 ( -4.154 3.358 -0.714) 5.390 7.317 ( 6.383 4.313 4.664) 9.005 7.456 ( -0.763 4.367 -1.169) 4.584 7.524 ( -4.514 -0.639 2.447) 5.174 7.577 ( -1.841 -0.751 -5.235) 5.600 7.759 ( 3.497 0.060 8.230) 8.942 7.844 ( 2.158 6.777 2.935) 7.694 8.135 ( 0.888 -0.802 1.369) 1.818 8.207 ( -0.786 6.383 -5.855) 8.697 8.388 ( -0.595 4.282 4.783) 6.447 8.596 ( -5.628 -2.526 -10.401) 12.093 8.819 ( 6.820 4.387 4.353) 9.204 8.915 ( -0.676 2.130 -0.400) 2.270 9.904 ( 3.553 -9.166 -0.301) 9.835 9.962 ( -4.238 -7.881 -1.066) 9.012 10.490 ( 5.862 -2.366 6.432) 9.019 10.688 ( -5.911 -3.254 -5.603) 8.770 11.267 ( 5.547 -5.473 3.585) 8.578 11.392 ( 5.114 -6.909 -0.746) 8.628 11.402 ( -1.282 -4.654 -2.759) 5.560 11.524 ( -10.545 -7.538 -2.574) 13.215 11.856 ( 8.044 2.320 6.095) 10.356 11.961 ( 8.689 -3.860 7.652) 12.205 12.084 ( -0.205 -0.763 0.397) 0.885 12.135 ( 1.429 -0.369 -0.540) 1.572 12.255 ( -4.985 1.082 0.165) 5.104 12.454 ( -9.947 -4.877 -11.327) 15.844 13.037 ( 3.645 -1.321 7.342) 8.302 13.316 ( -9.477 5.076 -10.866) 15.286 13.691 ( 0.471 1.575 1.974) 2.569 13.742 ( -0.564 1.729 -3.484) 3.930 13.926 ( 4.413 0.398 4.339) 6.202 14.112 ( -5.613 1.482 -6.177) 8.477 14.343 ( 7.641 3.506 7.898) 11.535 14.513 ( -3.585 4.415 -0.686) 5.728 14.588 ( 1.493 2.245 2.412) 3.617 14.721 ( -2.170 3.171 -5.127) 6.407 14.936 ( 8.596 5.836 9.415) 14.021 15.241 ( -7.303 7.360 -9.503) 14.065 16.447 ( 1.973 0.111 1.417) 2.431 16.481 ( -0.285 -0.147 -0.289) 0.432 20.147 ( 1.993 -3.653 1.582) 4.452 20.217 ( -2.987 -2.881 -2.248) 4.720 20.305 ( 3.618 -0.410 2.172) 4.240 20.380 ( -2.672 -0.115 -1.054) 2.875 24.507 ( -1.087 1.898 1.144) 2.468 24.515 ( 1.654 2.592 -1.396) 3.377 24.781 ( 3.459 2.490 3.650) 5.611 24.900 ( -1.586 4.442 -4.452) 6.486 26.073 ( -0.776 -3.338 3.437) 4.853 26.135 ( -1.158 -4.028 -2.880) 5.086 26.416 ( 1.009 0.428 8.997) 9.064 26.577 ( -1.274 1.074 -5.932) 6.161 27.113 ( 1.843 2.032 1.399) 3.080 27.190 ( 0.735 5.623 -4.364) 7.156 27.269 ( -1.013 -3.505 4.227) 5.584 27.361 ( -1.663 -4.321 -5.761) 7.391 28.192 ( 2.791 -5.135 0.887) 5.911 28.235 ( -2.186 -1.838 -0.115) 2.859 28.452 ( 4.028 -3.091 4.769) 6.966 28.565 ( 0.772 -0.758 0.340) 1.134 28.700 ( -0.694 -6.588 -6.218) 9.085 28.725 ( -6.205 -5.108 -0.142) 8.038 29.342 ( 1.828 2.377 7.353) 7.941 29.471 ( -0.278 2.425 -5.109) 5.662 ======================= Grid point 244 (118/141) ======================= q-point: (-0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 4.807 -4.834 0.216) 6.820 1.522 ( -3.808 -4.722 -2.251) 6.470 2.151 ( 10.401 2.143 1.056) 10.671 2.212 ( -10.201 3.622 -4.873) 11.871 2.316 ( -4.856 2.139 -1.249) 5.451 2.324 ( 3.240 1.364 -2.441) 4.280 2.509 ( -2.115 -4.856 2.492) 5.854 2.593 ( -4.379 -5.097 -2.847) 7.298 2.605 ( 6.564 -1.943 -0.870) 6.901 2.629 ( -3.311 -0.992 -3.411) 4.856 3.001 ( -4.538 -4.883 5.032) 8.353 3.076 ( 8.177 -6.335 -1.290) 10.424 3.172 ( 9.078 1.648 7.196) 11.701 3.279 ( -1.691 -3.166 5.148) 6.276 3.426 ( -7.271 1.829 -3.258) 8.175 3.477 ( -5.021 4.853 -2.152) 7.307 3.550 ( 2.905 -6.837 1.706) 7.622 3.666 ( 1.861 -7.026 -7.654) 10.555 3.902 ( 4.267 0.847 3.857) 5.814 3.973 ( -2.001 0.833 -2.765) 3.513 4.013 ( -0.731 11.120 3.345) 11.635 4.099 ( 1.094 7.096 -4.685) 8.573 4.224 ( -2.225 3.183 1.643) 4.217 4.276 ( -2.675 -0.175 -3.471) 4.385 4.414 ( 2.050 6.220 3.161) 7.272 4.458 ( 1.899 7.653 -0.994) 7.948 4.748 ( 0.547 2.053 7.193) 7.500 4.829 ( -2.177 0.555 -1.003) 2.460 5.046 ( 2.689 0.455 8.751) 9.166 5.174 ( -2.815 0.323 -4.449) 5.275 5.298 ( -2.206 -5.383 7.824) 9.750 5.451 ( 4.224 -1.390 -6.835) 8.154 5.508 ( 0.183 0.359 7.081) 7.093 5.625 ( 0.307 -0.816 -4.704) 4.784 5.767 ( 5.891 3.032 4.333) 7.917 5.855 ( 2.958 0.239 -2.282) 3.743 5.994 ( 3.643 4.294 -0.392) 5.645 6.061 ( -16.190 7.012 -8.908) 19.764 6.459 ( -4.080 -1.305 0.739) 4.346 6.533 ( 1.354 -1.654 -6.670) 7.004 6.749 ( -1.835 1.018 7.128) 7.430 6.865 ( 3.465 0.730 -4.978) 6.109 7.032 ( 0.015 2.908 2.180) 3.634 7.068 ( 0.389 1.733 -1.495) 2.322 7.302 ( 1.276 0.316 3.504) 3.742 7.344 ( -1.668 5.212 -1.716) 5.735 7.478 ( 6.083 4.272 5.639) 9.330 7.551 ( -1.367 2.859 -1.151) 3.372 7.822 ( -4.673 -5.994 5.464) 9.361 7.880 ( 5.198 -5.918 -2.123) 8.158 8.028 ( 0.062 6.107 0.537) 6.131 8.119 ( -4.575 3.553 -8.553) 10.330 8.430 ( 5.865 -4.493 9.167) 11.774 8.604 ( -5.724 -1.981 -9.501) 11.268 8.773 ( 6.012 4.585 4.718) 8.912 8.838 ( -4.100 4.176 -2.471) 6.353 10.071 ( -4.183 -5.586 -0.304) 6.985 10.078 ( 3.637 -5.641 -0.878) 6.769 10.573 ( 6.806 -2.039 6.263) 9.471 10.684 ( -7.573 -1.013 -5.673) 9.517 11.374 ( 4.484 -1.360 3.874) 6.080 11.444 ( -2.903 -0.765 -3.450) 4.573 11.534 ( 5.361 -3.563 2.598) 6.942 11.592 ( -7.703 -5.292 -3.721) 10.059 11.856 ( 9.764 2.315 7.057) 12.268 11.975 ( -7.468 0.979 -5.172) 9.137 12.132 ( 1.532 -0.855 1.933) 2.611 12.143 ( 1.370 0.436 -0.005) 1.438 12.263 ( 8.176 -2.001 7.990) 11.605 12.452 ( -12.195 -2.422 -11.388) 16.860 13.083 ( 3.895 -0.723 5.365) 6.668 13.192 ( -6.146 2.437 -6.083) 8.984 13.678 ( 0.983 0.389 1.635) 1.947 13.708 ( -0.512 1.163 -1.782) 2.189 13.984 ( 5.776 -2.619 3.985) 7.490 14.076 ( -6.283 -1.441 -5.479) 8.460 14.334 ( 8.476 2.551 6.820) 11.174 14.420 ( -4.384 2.633 -2.433) 5.663 14.575 ( 1.063 -0.227 2.947) 3.141 14.657 ( -2.853 1.522 -4.565) 5.594 14.901 ( 6.506 3.186 8.089) 10.858 15.062 ( -5.734 5.829 -8.790) 12.005 16.441 ( 0.548 1.262 1.729) 2.210 16.467 ( -0.551 1.142 -1.054) 1.649 20.206 ( 1.697 -1.111 1.021) 2.272 20.230 ( -1.952 -0.673 -1.485) 2.543 20.350 ( 2.776 -1.493 1.734) 3.597 20.378 ( -2.390 -1.195 -1.146) 2.908 24.467 ( -1.958 1.174 0.515) 2.341 24.482 ( 1.856 1.749 -1.003) 2.740 24.754 ( 2.486 2.187 2.651) 4.241 24.807 ( -2.456 3.470 -2.990) 5.197 26.149 ( -0.136 -4.354 4.322) 6.136 26.221 ( 0.117 -5.113 -3.376) 6.128 26.397 ( -1.196 1.662 9.301) 9.523 26.555 ( 1.408 1.537 -7.308) 7.600 27.070 ( -0.629 2.327 0.109) 2.413 27.088 ( 0.247 4.374 -2.034) 4.830 27.334 ( -0.349 -2.863 4.359) 5.227 27.433 ( 0.339 -3.286 -6.323) 7.134 28.234 ( -0.108 0.604 0.482) 0.780 28.244 ( 0.340 0.104 -0.632) 0.725 28.483 ( 5.550 1.505 4.369) 7.222 28.535 ( -6.369 1.434 -1.046) 6.611 28.810 ( 4.616 -4.694 1.117) 6.678 28.846 ( -4.921 -6.375 -3.343) 8.719 29.371 ( -0.391 -4.049 4.113) 5.785 29.440 ( 1.516 1.275 -3.366) 3.906 ======================= Grid point 245 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.045 -0.744 -1.749) 2.792 1.570 ( -1.096 -0.998 -2.290) 2.728 2.039 ( -9.412 3.946 -3.976) 10.953 2.133 ( 10.654 7.993 1.333) 13.385 2.174 ( -7.152 5.135 1.142) 8.878 2.301 ( 7.875 4.970 -1.540) 9.439 2.574 ( -4.057 -3.162 -1.402) 5.332 2.627 ( 2.855 3.114 0.826) 4.304 2.705 ( -2.479 -6.931 -2.947) 7.929 2.721 ( 3.686 -6.031 -1.155) 7.162 2.940 ( 4.813 8.287 11.987) 15.347 3.113 ( -3.815 8.912 -12.748) 16.015 3.167 ( 1.031 -0.608 7.269) 7.367 3.297 ( 0.853 -4.245 -5.812) 7.248 3.442 ( -3.503 -3.582 3.634) 6.190 3.471 ( 3.113 -3.060 5.759) 7.226 3.627 ( 2.845 7.313 1.906) 8.076 3.723 ( -1.765 0.121 -9.246) 9.413 3.815 ( 1.528 3.114 1.829) 3.922 3.860 ( 1.914 1.622 -2.749) 3.722 4.015 ( -6.934 -5.713 0.268) 8.988 4.101 ( -3.705 -6.475 -5.034) 9.000 4.176 ( 1.769 1.573 4.753) 5.310 4.237 ( -0.530 0.197 -2.431) 2.496 4.388 ( -4.619 -3.655 -1.068) 5.986 4.440 ( 6.667 0.481 2.432) 7.113 4.758 ( -0.719 -1.935 9.061) 9.293 4.873 ( 0.979 -4.213 -2.529) 5.010 5.049 ( 1.760 -0.613 7.668) 7.892 5.134 ( -1.086 -1.581 -4.571) 4.957 5.387 ( -2.362 -2.987 7.653) 8.548 5.498 ( -0.314 -0.164 3.879) 3.895 5.533 ( 3.348 -0.569 1.618) 3.762 5.607 ( -2.828 1.155 -5.933) 6.673 5.739 ( 5.208 3.149 5.091) 7.934 5.820 ( -12.383 4.489 -11.088) 17.217 5.861 ( 5.609 1.689 3.074) 6.616 5.948 ( 3.873 2.373 -5.175) 6.886 6.482 ( -2.323 -2.428 2.290) 4.066 6.580 ( 2.427 -2.534 -5.681) 6.677 6.733 ( -0.893 0.416 7.288) 7.354 6.873 ( 0.976 1.040 -7.346) 7.483 6.998 ( 0.902 0.543 4.142) 4.274 7.048 ( -1.453 -0.517 -1.814) 2.381 7.268 ( -1.096 0.520 2.045) 2.378 7.303 ( -1.667 -1.435 -1.044) 2.435 7.467 ( 1.490 0.889 2.694) 3.205 7.501 ( 2.895 2.126 0.093) 3.593 7.897 ( -8.873 -1.802 -2.118) 9.298 7.947 ( -1.715 -1.068 5.895) 6.232 8.003 ( 8.713 -2.100 0.290) 8.967 8.097 ( 1.265 -2.943 -7.132) 7.818 8.545 ( -0.875 -3.181 3.118) 4.539 8.612 ( 0.124 -1.192 -3.027) 3.256 8.684 ( -7.532 4.354 -2.138) 8.959 8.742 ( 6.932 4.497 2.171) 8.544 10.104 ( -2.964 0.236 0.128) 2.976 10.155 ( 3.638 0.303 -0.905) 3.761 10.632 ( -6.502 0.714 -2.593) 7.037 10.655 ( 5.721 -0.818 3.491) 6.751 11.376 ( 1.720 3.089 1.747) 3.944 11.398 ( -1.340 2.796 -2.682) 4.100 11.573 ( -0.037 1.231 2.573) 2.853 11.618 ( -0.064 0.805 -2.404) 2.536 11.923 ( -2.617 -2.698 -1.057) 3.905 11.924 ( 2.573 -2.410 2.460) 4.299 12.135 ( -0.864 -0.024 -0.506) 1.002 12.141 ( 1.092 0.211 0.112) 1.118 12.342 ( -3.984 -0.501 1.824) 4.411 12.427 ( 3.975 -0.629 -2.171) 4.573 13.112 ( 1.806 0.627 2.641) 3.261 13.132 ( -1.773 0.560 -2.157) 2.848 13.680 ( 0.194 -0.064 1.205) 1.222 13.700 ( -0.379 -0.853 -1.217) 1.534 14.073 ( -4.234 -2.617 -2.114) 5.407 14.086 ( 3.528 -3.203 2.035) 5.182 14.347 ( -6.345 1.457 -4.619) 7.983 14.355 ( 8.135 0.769 4.602) 9.378 14.608 ( -2.449 -2.008 0.171) 3.171 14.626 ( 0.575 -0.242 0.381) 0.731 14.884 ( 0.417 1.280 4.145) 4.358 14.973 ( 0.224 0.227 -5.769) 5.778 16.415 ( 0.382 1.459 1.547) 2.160 16.435 ( -0.333 1.672 -1.067) 2.011 20.218 ( 0.122 0.551 0.246) 0.616 20.226 ( -0.108 0.201 -0.767) 0.800 20.382 ( -0.779 -0.636 0.177) 1.022 20.391 ( 0.769 -0.857 0.257) 1.180 24.443 ( -2.251 -0.007 -0.458) 2.297 24.469 ( 1.830 0.651 -0.266) 1.961 24.730 ( -0.004 1.688 0.329) 1.720 24.741 ( 0.677 1.768 -0.545) 1.970 26.227 ( -1.074 -2.754 5.445) 6.196 26.294 ( 1.247 -0.069 2.220) 2.547 26.395 ( -2.516 -4.638 1.405) 5.461 26.515 ( 2.176 3.036 -6.579) 7.566 27.019 ( -0.580 1.784 0.499) 1.941 27.039 ( 0.253 1.228 -1.178) 1.720 27.367 ( -0.632 -0.389 4.406) 4.468 27.478 ( 1.181 -1.027 -6.996) 7.169 28.231 ( 0.405 -0.491 0.497) 0.807 28.236 ( -0.475 -0.212 -0.672) 0.850 28.455 ( -5.247 2.347 -2.111) 6.124 28.472 ( 5.092 3.903 3.527) 7.321 28.869 ( 0.159 -0.423 4.222) 4.247 28.932 ( -0.098 -3.660 -3.143) 4.825 29.409 ( -2.882 0.689 0.991) 3.124 29.470 ( 2.742 -3.279 -1.665) 4.588 ======================= Grid point 246 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -7.628 3.696 -4.924) 9.803 1.556 ( 0.217 0.778 0.961) 1.255 1.924 ( -4.992 5.721 -2.067) 7.869 2.049 ( 4.641 0.846 0.743) 4.775 2.075 ( 7.261 7.621 2.058) 10.725 2.225 ( 8.426 8.107 -0.478) 11.703 2.498 ( -2.933 8.831 -3.323) 9.881 2.568 ( 4.155 4.486 0.934) 6.186 2.668 ( -1.951 5.164 1.140) 5.637 2.837 ( 7.218 -0.768 -0.518) 7.277 2.942 ( -0.345 -6.267 4.140) 7.519 3.032 ( 0.411 -2.138 -5.481) 5.897 3.176 ( -3.476 -0.690 6.292) 7.221 3.344 ( -3.663 0.374 -5.118) 6.305 3.378 ( -1.826 5.668 1.945) 6.265 3.465 ( 3.983 5.388 -2.951) 7.321 3.549 ( 1.574 1.433 8.530) 8.792 3.690 ( 0.090 0.787 -4.849) 4.913 3.813 ( 2.681 1.182 -2.050) 3.576 3.860 ( 0.354 -0.713 -5.408) 5.467 4.043 ( -6.077 0.200 -0.665) 6.117 4.142 ( -5.521 0.233 -1.549) 5.739 4.244 ( -3.812 -10.451 1.323) 11.203 4.363 ( 5.640 -9.175 -0.295) 10.774 4.447 ( 1.268 -1.911 1.242) 2.608 4.507 ( 1.970 -4.552 2.914) 5.752 4.805 ( -2.896 -3.916 5.766) 7.548 4.921 ( 1.728 -0.999 0.273) 2.014 5.116 ( -4.535 -4.497 3.430) 7.249 5.213 ( 1.945 -4.233 -2.798) 5.434 5.373 ( -2.263 4.620 5.130) 7.265 5.421 ( -3.124 7.478 -2.628) 8.520 5.476 ( -5.061 -3.952 6.311) 9.003 5.671 ( 0.117 -1.735 -4.418) 4.748 5.723 ( -2.398 -3.563 -4.220) 6.021 5.813 ( -0.549 -5.061 -3.982) 6.464 5.878 ( 3.205 -2.329 -0.509) 3.994 5.993 ( 13.568 -2.958 3.307) 14.275 6.516 ( -2.180 -2.241 3.708) 4.850 6.646 ( 1.693 -2.210 -4.094) 4.951 6.735 ( 1.666 -0.456 7.680) 7.872 6.830 ( -0.995 1.049 -6.569) 6.726 7.015 ( -0.494 -1.180 3.867) 4.073 7.099 ( -0.294 -5.536 1.175) 5.667 7.295 ( -2.475 -2.622 -1.621) 3.953 7.372 ( -2.454 -6.633 -2.847) 7.624 7.443 ( -2.355 -0.646 -1.785) 3.025 7.499 ( 3.770 0.654 0.437) 3.851 7.861 ( -4.296 -0.956 4.541) 6.324 7.990 ( -5.220 -4.084 -2.668) 7.145 8.103 ( 4.994 -0.772 -1.900) 5.399 8.151 ( 7.217 -0.743 1.793) 7.473 8.451 ( -8.987 6.924 1.518) 11.446 8.568 ( -5.223 -0.486 -2.880) 5.984 8.718 ( 6.667 -0.909 3.141) 7.425 8.732 ( 4.266 -0.789 -2.949) 5.246 10.021 ( -2.197 6.483 -0.402) 6.857 10.111 ( 4.422 6.357 -0.185) 7.746 10.543 ( -8.239 2.931 -2.314) 9.046 10.698 ( 8.032 1.545 3.768) 9.005 11.286 ( -2.797 4.849 -2.259) 6.037 11.349 ( 4.004 3.759 0.341) 5.503 11.503 ( -4.028 4.063 -2.915) 6.421 11.572 ( 6.678 5.228 4.753) 9.722 11.922 ( -10.851 -3.490 -6.450) 13.097 12.052 ( 8.142 -1.765 6.026) 10.282 12.136 ( -1.059 -0.579 -0.135) 1.215 12.170 ( 2.104 -3.868 0.934) 4.502 12.245 ( -15.529 2.227 -7.542) 17.406 12.503 ( 14.795 0.540 6.632) 16.223 13.072 ( -3.077 1.722 0.104) 3.527 13.150 ( 4.371 -0.287 1.599) 4.663 13.692 ( -0.784 -1.319 1.853) 2.406 13.730 ( -0.344 -2.407 -1.668) 2.948 14.098 ( -3.609 -3.209 -0.394) 4.846 14.164 ( 2.671 -2.004 1.521) 3.669 14.271 ( -9.541 1.077 -7.005) 11.885 14.407 ( 7.655 -0.782 2.605) 8.124 14.613 ( -2.219 -2.312 2.555) 4.098 14.683 ( -0.130 -3.433 -0.247) 3.445 14.854 ( -6.874 -0.333 -0.923) 6.944 15.061 ( 7.521 -6.246 -1.232) 9.854 16.391 ( -0.024 1.438 -0.347) 1.480 16.404 ( 2.049 1.597 0.723) 2.697 20.190 ( -1.034 1.947 -0.460) 2.252 20.217 ( 1.379 1.284 0.127) 1.889 20.376 ( -2.330 0.117 -0.962) 2.523 20.406 ( 1.402 0.148 1.124) 1.803 24.441 ( -1.789 -1.047 -1.461) 2.536 24.478 ( 1.692 -0.453 0.803) 1.927 24.694 ( -1.174 0.971 -1.151) 1.909 24.747 ( 4.374 -0.185 0.557) 4.413 26.197 ( -1.893 3.694 5.867) 7.187 26.297 ( 0.729 1.681 0.761) 1.984 26.440 ( -5.513 -1.652 -0.498) 5.776 26.554 ( 3.082 -6.108 -2.641) 7.333 27.007 ( 1.331 -0.346 1.063) 1.738 27.029 ( 0.710 0.186 -1.914) 2.050 27.346 ( -1.052 1.995 4.566) 5.092 27.481 ( 1.272 0.996 -7.694) 7.862 28.251 ( -1.148 -1.056 -0.416) 1.614 28.261 ( -0.114 -2.027 -0.387) 2.067 28.365 ( -2.553 3.473 -2.310) 4.890 28.406 ( 5.616 6.488 4.438) 9.660 28.870 ( 0.020 -0.080 5.630) 5.631 28.965 ( -0.546 0.122 -6.452) 6.476 29.360 ( -2.358 2.621 8.193) 8.920 29.523 ( -0.464 -1.267 -7.058) 7.186 ======================= Grid point 251 (121/141) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.440 -0.000 14.762) 15.158 1.399 ( 10.858 -0.000 2.097) 11.059 1.584 ( 12.048 -0.000 -11.164) 16.425 1.655 ( -0.589 0.000 3.717) 3.763 1.825 ( 6.180 -0.000 -12.185) 13.663 1.945 ( 0.177 -0.000 3.077) 3.082 2.176 ( 0.926 -0.000 8.966) 9.014 2.484 ( -7.030 0.000 -6.587) 9.634 2.546 ( 0.897 -0.000 -2.594) 2.744 2.672 ( -1.404 0.000 -3.359) 3.640 2.884 ( -9.444 0.000 -1.018) 9.499 2.975 ( -7.916 0.000 -0.308) 7.922 3.229 ( 3.530 -0.000 2.315) 4.222 3.316 ( -0.027 0.000 -1.277) 1.277 3.382 ( 10.362 -0.000 -7.794) 12.966 3.466 ( -3.205 0.000 4.148) 5.242 3.640 ( 13.416 -0.000 9.171) 16.252 3.657 ( 5.960 -0.000 11.047) 12.552 3.960 ( -1.592 0.000 -6.648) 6.836 3.966 ( 8.846 -0.000 -8.490) 12.261 4.068 ( 1.937 -0.000 9.880) 10.068 4.134 ( -0.662 0.000 6.815) 6.847 4.172 ( 5.189 -0.000 -0.719) 5.239 4.432 ( -1.526 0.000 -5.655) 5.857 4.559 ( -1.288 0.000 7.324) 7.436 4.754 ( 0.558 -0.000 8.627) 8.645 4.941 ( -9.996 0.000 -5.065) 11.206 4.989 ( -6.816 0.000 -3.199) 7.529 5.218 ( 5.339 -0.000 -6.079) 8.091 5.230 ( 0.336 -0.000 -3.429) 3.446 5.404 ( 1.551 -0.000 -0.335) 1.587 5.535 ( -2.697 0.000 -4.106) 4.912 5.638 ( -1.319 0.000 3.832) 4.053 5.664 ( 3.479 -0.000 1.566) 3.815 5.700 ( -4.684 0.000 0.620) 4.725 6.009 ( -9.261 0.000 -6.449) 11.285 6.161 ( -2.196 0.000 -1.176) 2.491 6.290 ( -6.427 0.000 -10.481) 12.295 6.510 ( 1.256 -0.000 9.735) 9.816 6.680 ( 0.859 -0.000 -4.169) 4.256 6.982 ( 9.482 -0.000 9.483) 13.410 7.094 ( -3.146 0.000 8.851) 9.393 7.188 ( 0.052 -0.000 0.568) 0.570 7.298 ( 1.528 -0.000 3.370) 3.700 7.356 ( -1.314 0.000 1.789) 2.219 7.509 ( 0.152 -0.000 3.195) 3.199 7.566 ( -8.972 0.000 1.161) 9.047 7.743 ( 2.363 -0.000 -0.686) 2.461 7.780 ( -11.064 0.000 -18.253) 21.344 7.792 ( -1.531 0.000 -0.200) 1.544 8.491 ( 7.733 -0.000 2.567) 8.148 8.509 ( 1.419 -0.000 3.775) 4.033 8.634 ( 2.866 -0.000 1.877) 3.426 8.826 ( -6.554 0.000 -6.522) 9.247 8.991 ( 3.297 -0.000 3.019) 4.470 8.994 ( 3.736 -0.000 -1.941) 4.210 9.424 ( 10.216 -0.000 5.580) 11.641 9.726 ( -4.118 0.000 -1.166) 4.280 10.285 ( 3.270 -0.000 4.312) 5.412 10.466 ( -2.044 0.000 -3.903) 4.406 10.980 ( 4.918 -0.000 -5.328) 7.251 11.053 ( 3.003 -0.000 2.009) 3.612 11.100 ( -4.955 0.000 0.807) 5.020 11.211 ( -1.233 0.000 -2.550) 2.832 11.653 ( 3.992 -0.000 15.948) 16.440 11.915 ( 7.418 -0.000 4.369) 8.609 12.032 ( -3.049 0.000 -3.294) 4.489 12.124 ( 0.538 -0.000 0.327) 0.629 12.163 ( -3.655 0.000 -8.111) 8.896 12.303 ( -4.100 0.000 -3.571) 5.437 12.957 ( 3.246 -0.000 11.455) 11.906 13.569 ( -12.208 0.000 -15.905) 20.050 13.732 ( -0.246 0.000 2.161) 2.175 13.847 ( -2.673 0.000 -11.318) 11.629 14.210 ( 1.902 -0.000 -1.031) 2.163 14.363 ( -5.655 0.000 -4.031) 6.945 14.399 ( 4.412 -0.000 5.664) 7.180 14.632 ( -5.112 0.000 -4.359) 6.718 14.771 ( 4.053 -0.000 4.351) 5.946 14.967 ( 1.379 -0.000 -3.833) 4.073 15.364 ( 1.261 -0.000 4.819) 4.981 15.536 ( -2.362 0.000 -3.767) 4.446 16.328 ( 2.021 -0.000 2.671) 3.350 16.407 ( -0.181 0.000 -1.913) 1.922 19.937 ( 1.717 -0.000 -0.290) 1.741 19.979 ( -0.451 0.000 0.249) 0.515 20.352 ( 1.625 -0.000 1.144) 1.987 20.434 ( -1.229 0.000 -0.421) 1.299 24.583 ( -0.637 0.000 2.413) 2.496 24.612 ( 1.622 -0.000 -2.966) 3.380 24.866 ( 5.774 -0.000 6.492) 8.689 25.108 ( 1.105 -0.000 -9.925) 9.986 25.993 ( 3.609 -0.000 -5.872) 6.892 26.006 ( -6.584 0.000 6.291) 9.106 26.449 ( 6.863 -0.000 8.081) 10.602 26.789 ( -10.525 0.000 -2.244) 10.762 27.002 ( 1.871 -0.000 0.669) 1.986 27.052 ( -0.234 0.000 -0.010) 0.234 27.222 ( 3.578 -0.000 3.985) 5.355 27.480 ( -6.243 0.000 -7.480) 9.743 27.859 ( -0.099 0.000 -1.398) 1.402 27.878 ( -2.850 0.000 -1.269) 3.120 28.079 ( -1.803 0.000 -0.664) 1.922 28.095 ( -3.101 0.000 0.539) 3.147 28.757 ( 3.760 -0.000 -0.671) 3.820 28.799 ( -3.486 0.000 4.712) 5.861 29.598 ( 12.980 -0.000 -6.187) 14.379 29.715 ( -3.551 0.000 4.743) 5.925 ======================= Grid point 252 (122/141) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.455 1.625 11.432) 11.556 1.420 ( 5.644 3.669 -5.562) 8.732 1.667 ( 4.181 -10.584 7.186) 13.459 1.847 ( 2.737 -11.636 -5.644) 13.219 1.884 ( 2.072 -3.087 -6.552) 7.533 1.975 ( -3.945 -4.460 -3.881) 7.108 2.252 ( 6.897 -5.183 9.562) 12.879 2.503 ( -2.515 -4.460 -6.817) 8.525 2.566 ( 3.762 -0.685 -1.374) 4.063 2.666 ( -1.632 -0.823 -4.499) 4.856 2.824 ( -4.258 1.275 0.685) 4.497 2.912 ( -9.677 0.873 -1.470) 9.827 3.209 ( 2.466 2.070 7.451) 8.117 3.352 ( 1.307 -0.469 -2.324) 2.708 3.361 ( 5.253 4.069 -2.298) 7.031 3.452 ( -7.800 -0.499 -1.724) 8.003 3.632 ( 2.729 3.611 8.615) 9.732 3.695 ( 9.118 4.089 4.822) 11.095 3.927 ( 1.179 -0.249 -0.631) 1.360 4.020 ( 2.506 -1.037 -5.038) 5.722 4.102 ( -0.277 -0.818 6.133) 6.193 4.176 ( 2.625 -3.299 0.451) 4.240 4.304 ( 4.707 -8.653 2.073) 10.066 4.447 ( -5.805 -4.371 -4.468) 8.531 4.579 ( 3.006 -0.975 10.412) 10.881 4.779 ( 2.550 0.309 4.789) 5.434 4.862 ( -5.039 4.240 -1.394) 6.731 4.921 ( -5.308 1.565 -8.547) 10.182 5.223 ( 1.072 0.210 -3.519) 3.685 5.245 ( 0.159 0.372 -5.449) 5.464 5.359 ( 4.395 3.609 2.494) 6.210 5.515 ( -6.120 5.455 2.483) 8.566 5.581 ( 2.547 5.553 -1.951) 6.414 5.637 ( 1.031 -0.778 -4.707) 4.881 5.727 ( 2.372 -3.429 5.641) 7.015 5.948 ( -7.677 -0.181 -8.033) 11.113 6.114 ( 1.975 4.256 0.725) 4.747 6.262 ( -8.471 -0.662 -8.008) 11.676 6.516 ( 0.389 0.831 6.764) 6.826 6.658 ( -0.523 2.838 -5.453) 6.169 6.996 ( 5.505 3.866 9.037) 11.266 7.099 ( 1.324 2.085 6.123) 6.602 7.203 ( -0.031 -0.310 3.245) 3.260 7.224 ( 4.761 5.871 1.729) 7.754 7.304 ( -3.853 -0.118 1.959) 4.324 7.405 ( -2.316 5.068 1.814) 5.860 7.581 ( -0.601 -0.828 -1.454) 1.778 7.689 ( -9.906 0.918 -9.474) 13.738 7.793 ( 4.621 -3.219 1.284) 5.776 7.903 ( -5.326 -7.580 -4.599) 10.343 8.349 ( 0.193 13.999 5.246) 14.951 8.412 ( 3.343 7.353 -1.896) 8.297 8.683 ( 2.774 0.728 0.848) 2.991 8.760 ( -2.486 6.696 -3.939) 8.157 8.954 ( 2.555 2.992 1.469) 4.200 8.970 ( 1.657 2.658 0.936) 3.270 9.561 ( 7.419 -6.711 3.560) 10.618 9.715 ( -5.998 -2.792 -1.890) 6.880 10.352 ( 4.224 -3.949 5.434) 7.935 10.500 ( -3.116 -4.677 -4.284) 7.066 11.070 ( 3.989 -4.556 -2.095) 6.408 11.102 ( 0.274 -5.540 -0.217) 5.551 11.148 ( -2.051 -5.987 0.602) 6.357 11.238 ( -3.840 -4.226 -2.824) 6.370 11.728 ( 7.953 -3.513 15.346) 17.638 11.957 ( 7.538 0.863 4.251) 8.697 12.040 ( -1.150 -1.936 -2.120) 3.092 12.118 ( 1.031 0.349 -0.322) 1.135 12.180 ( -2.661 -3.251 -6.095) 7.402 12.294 ( -7.696 -2.404 -5.476) 9.747 12.996 ( 5.482 -0.625 12.966) 14.091 13.471 ( -12.525 1.617 -19.597) 23.313 13.729 ( -0.458 0.285 1.846) 1.923 13.814 ( -1.058 1.577 -8.258) 8.474 14.135 ( 2.101 7.631 3.823) 8.790 14.274 ( -5.285 4.400 -6.004) 9.129 14.428 ( 5.383 0.521 6.298) 8.302 14.612 ( -5.062 -0.384 -5.478) 7.469 14.758 ( 4.256 4.234 6.303) 8.704 14.911 ( -0.619 5.033 -4.353) 6.683 15.267 ( 5.382 9.212 7.391) 12.979 15.482 ( -5.711 3.880 -6.754) 9.659 16.380 ( 1.110 -3.239 2.512) 4.246 16.424 ( -0.221 -1.891 -0.931) 2.120 19.978 ( 1.921 -3.249 1.156) 3.948 20.027 ( -1.576 -4.703 -1.208) 5.105 20.349 ( 2.410 1.396 1.683) 3.254 20.411 ( -2.181 1.103 -0.837) 2.583 24.570 ( -0.955 0.945 2.465) 2.807 24.607 ( 1.315 1.320 -2.704) 3.284 24.880 ( 4.548 1.940 6.534) 8.194 25.070 ( -1.102 3.266 -8.711) 9.369 25.985 ( -4.923 -1.359 5.172) 7.268 26.031 ( 3.951 -1.496 -5.466) 6.908 26.457 ( 5.828 2.907 8.698) 10.866 26.672 ( -7.119 4.078 -4.794) 9.502 27.064 ( 3.169 -3.824 1.570) 5.208 27.116 ( -1.436 -5.388 0.221) 5.581 27.247 ( 2.985 -0.044 3.112) 4.312 27.401 ( -5.845 3.431 -7.162) 9.861 27.914 ( 0.627 -5.527 1.056) 5.662 27.956 ( -0.820 -8.370 -1.424) 8.529 28.157 ( -1.162 -7.717 -0.738) 7.838 28.171 ( -2.427 -9.140 -0.335) 9.463 28.728 ( 0.952 3.780 3.431) 5.193 28.777 ( -1.200 1.440 -0.243) 1.890 29.593 ( 5.259 6.691 0.089) 8.511 29.646 ( -0.526 4.308 -1.448) 4.575 ======================= Grid point 253 (123/141) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -1.674 -2.831 7.330) 8.034 1.394 ( 2.329 0.700 -4.807) 5.387 1.946 ( -7.176 -9.822 4.015) 12.810 1.978 ( -0.224 -13.676 4.739) 14.475 2.080 ( 3.580 -8.069 -8.067) 11.958 2.095 ( -1.110 -10.414 -6.519) 12.337 2.419 ( 6.772 -4.993 5.109) 9.844 2.525 ( -3.729 -0.027 -6.512) 7.504 2.602 ( 1.115 -1.020 2.617) 3.022 2.715 ( 1.254 -1.729 -7.381) 7.684 2.771 ( -4.136 0.560 2.922) 5.095 2.856 ( 1.478 0.797 -4.389) 4.699 3.226 ( 2.415 -0.917 11.349) 11.639 3.285 ( 2.877 1.830 4.465) 5.618 3.379 ( 0.440 0.235 -2.450) 2.500 3.387 ( -5.971 0.644 -3.508) 6.955 3.582 ( -3.194 1.786 3.372) 4.977 3.637 ( 6.243 5.112 -0.353) 8.077 3.940 ( -5.498 -0.593 2.784) 6.191 4.036 ( 2.746 1.501 -3.497) 4.692 4.114 ( 0.609 -1.250 5.113) 5.299 4.238 ( 0.939 -1.325 -6.964) 7.151 4.453 ( -5.996 -1.439 4.240) 7.483 4.521 ( 5.715 -0.465 -2.856) 6.406 4.641 ( 2.548 -2.483 10.741) 11.315 4.721 ( -3.330 3.559 4.622) 6.717 4.736 ( -1.885 1.632 -3.080) 3.963 4.904 ( 1.852 -1.018 -7.104) 7.412 5.121 ( -4.409 7.911 2.066) 9.289 5.158 ( -1.250 11.342 -0.204) 11.412 5.336 ( 1.654 1.113 0.085) 1.995 5.411 ( 5.950 1.563 -5.687) 8.378 5.540 ( 0.769 0.035 4.830) 4.891 5.656 ( 1.461 0.059 -7.271) 7.417 5.818 ( 3.227 -2.862 4.510) 6.241 5.918 ( -2.390 1.083 -6.107) 6.647 6.062 ( 7.737 2.363 5.011) 9.516 6.187 ( -11.099 1.441 -8.152) 13.846 6.481 ( -0.328 2.549 2.685) 3.717 6.560 ( -1.297 5.151 -5.205) 7.437 6.906 ( -2.384 5.697 9.327) 11.186 7.021 ( 2.656 6.002 -1.246) 6.681 7.140 ( 0.438 2.334 0.699) 2.475 7.179 ( 1.923 4.685 -1.775) 5.366 7.377 ( -4.162 -6.247 4.863) 8.944 7.393 ( 5.683 -1.932 2.743) 6.599 7.533 ( -2.527 4.182 -0.497) 4.911 7.585 ( -4.828 3.553 -5.704) 8.274 7.874 ( 8.118 1.367 4.727) 9.493 7.963 ( -6.497 0.363 -4.797) 8.085 8.124 ( 4.216 5.646 10.458) 12.611 8.309 ( -1.662 4.009 -8.777) 9.791 8.549 ( -0.813 11.303 0.848) 11.363 8.594 ( -0.921 5.947 -3.730) 7.080 8.920 ( 2.722 2.590 2.415) 4.466 8.946 ( -0.514 1.366 -0.312) 1.493 9.749 ( 3.942 -8.483 1.485) 9.472 9.781 ( -4.624 -7.443 -1.600) 8.907 10.466 ( 4.999 -3.984 6.583) 9.176 10.574 ( -4.889 -4.720 -5.103) 8.499 11.186 ( 3.938 -5.735 2.375) 7.351 11.228 ( -5.823 -7.802 -2.228) 9.987 11.304 ( 3.761 -8.130 -0.650) 8.981 11.317 ( -4.741 -6.721 -1.894) 8.440 11.880 ( 8.488 -4.728 11.028) 14.697 11.982 ( 3.890 0.075 1.827) 4.298 12.069 ( 2.032 -0.897 1.321) 2.585 12.128 ( 0.828 -0.863 -1.650) 2.038 12.216 ( -3.228 -1.454 -0.260) 3.550 12.304 ( -7.630 -4.219 -10.077) 13.325 13.054 ( 7.229 -0.637 12.571) 14.515 13.336 ( -11.040 3.822 -17.430) 20.983 13.716 ( -0.492 0.842 1.503) 1.792 13.774 ( -0.049 1.792 -5.066) 5.374 14.014 ( 3.679 5.435 7.064) 9.642 14.144 ( -4.171 5.069 -7.011) 9.604 14.442 ( 5.979 1.893 7.190) 9.541 14.561 ( -4.898 2.440 -5.226) 7.566 14.674 ( 1.521 5.461 6.601) 8.701 14.796 ( -1.146 5.427 -5.677) 7.937 15.138 ( 9.130 8.353 9.845) 15.813 15.324 ( -8.439 6.769 -10.038) 14.758 16.438 ( -0.354 -1.940 2.064) 2.855 16.462 ( 0.087 -1.658 -0.402) 1.709 20.076 ( 2.409 -4.842 2.044) 5.781 20.116 ( -2.460 -5.142 -2.216) 6.116 20.339 ( 3.358 1.238 2.077) 4.138 20.371 ( -3.074 1.056 -1.351) 3.520 24.536 ( -1.536 1.804 2.096) 3.163 24.576 ( 1.209 2.399 -2.077) 3.396 24.858 ( 3.205 2.833 5.524) 6.987 24.973 ( -3.216 4.582 -6.756) 8.773 26.005 ( -2.991 -2.868 3.960) 5.731 26.083 ( 3.349 -1.703 -4.056) 5.528 26.443 ( 2.853 1.499 9.134) 9.686 26.585 ( -2.340 1.349 -6.198) 6.761 27.149 ( 3.339 -1.484 3.895) 5.341 27.192 ( -2.771 -2.679 1.632) 4.186 27.271 ( -2.267 -2.442 -3.185) 4.610 27.293 ( 0.676 4.080 -5.292) 6.717 28.076 ( 3.663 -8.522 2.622) 9.639 28.114 ( -3.779 -7.883 -1.432) 8.858 28.337 ( 2.753 -9.417 1.788) 9.973 28.391 ( -3.455 -13.673 -3.811) 14.609 28.648 ( -1.756 3.925 5.529) 7.004 28.731 ( 1.829 2.464 -3.343) 4.538 29.445 ( -3.341 7.132 5.963) 9.878 29.561 ( 4.765 5.563 -6.412) 9.735 ======================= Grid point 254 (124/141) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 2.889 -7.746 2.261) 8.571 1.418 ( -0.658 -2.665 -2.740) 3.878 2.081 ( -7.038 -9.086 3.100) 11.904 2.155 ( -9.725 -2.641 -6.223) 11.844 2.255 ( 0.845 -10.217 2.078) 10.460 2.285 ( 2.171 -6.102 -1.440) 6.635 2.459 ( -1.444 0.585 -0.765) 1.736 2.500 ( -5.987 -0.623 -3.135) 6.787 2.599 ( -1.766 1.674 0.743) 2.544 2.693 ( 9.643 2.471 1.742) 10.106 2.831 ( -5.857 -7.676 -3.825) 10.385 2.949 ( 10.864 -7.214 -3.709) 13.558 3.245 ( -0.041 -0.024 8.069) 8.069 3.284 ( 3.715 2.073 5.991) 7.347 3.388 ( -0.220 -3.519 0.846) 3.626 3.437 ( -6.276 -3.344 -3.701) 8.016 3.529 ( 2.107 0.551 1.378) 2.577 3.605 ( 2.945 0.683 -3.302) 4.477 3.895 ( -6.908 -0.498 0.817) 6.974 3.988 ( -0.049 4.064 -2.569) 4.808 4.143 ( -0.982 0.117 4.659) 4.763 4.230 ( -2.415 1.256 -6.296) 6.860 4.322 ( 3.043 10.400 2.944) 11.229 4.373 ( 0.547 11.479 -4.874) 12.483 4.582 ( 0.531 8.239 5.701) 10.033 4.658 ( 2.885 5.925 -0.286) 6.596 4.842 ( -3.551 -0.266 3.710) 5.142 4.881 ( -1.376 6.431 0.766) 6.621 4.993 ( 2.390 -0.329 5.750) 6.236 5.046 ( 2.898 -7.790 0.233) 8.315 5.276 ( -4.418 3.359 2.201) 5.970 5.463 ( 5.535 -1.403 -8.782) 10.475 5.527 ( -1.915 0.878 5.226) 5.635 5.650 ( 4.230 2.240 -5.109) 7.001 5.834 ( -0.800 2.553 -1.330) 2.988 5.873 ( 0.996 1.458 -4.501) 4.835 6.084 ( -7.321 2.804 -2.536) 8.239 6.100 ( 6.392 1.660 4.643) 8.072 6.431 ( -2.605 0.937 1.300) 3.058 6.513 ( 2.093 -0.848 -4.223) 4.789 6.796 ( -1.729 4.178 7.432) 8.700 6.924 ( 1.885 4.380 -4.772) 6.746 7.087 ( -2.942 3.040 -2.026) 4.691 7.114 ( 3.940 2.760 1.424) 5.017 7.368 ( -1.588 5.270 3.328) 6.432 7.422 ( -2.313 1.396 -1.819) 3.257 7.486 ( -0.088 -0.458 3.628) 3.658 7.575 ( 1.187 -2.857 -2.272) 3.838 7.799 ( 0.185 7.192 5.288) 8.928 7.881 ( 4.354 1.261 -1.320) 4.721 8.127 ( -1.549 2.512 1.089) 3.145 8.203 ( 0.831 6.008 -5.575) 8.238 8.412 ( 3.630 0.718 8.742) 9.493 8.530 ( -3.768 -0.721 -9.309) 10.069 8.869 ( -2.032 3.699 0.999) 4.337 8.898 ( 0.861 2.919 -0.467) 3.078 9.904 ( -4.171 -8.431 -0.180) 9.408 9.954 ( 3.650 -8.653 -0.317) 9.396 10.567 ( 5.395 -2.911 7.012) 9.314 10.605 ( -6.354 -2.332 -5.620) 8.798 11.330 ( 0.512 -5.624 1.651) 5.884 11.337 ( -2.708 -6.736 -1.523) 7.418 11.406 ( -8.624 -7.008 -1.496) 11.213 11.491 ( 8.533 -6.081 1.287) 10.557 11.957 ( 4.023 0.907 3.730) 5.560 11.964 ( -4.350 2.090 -3.124) 5.749 12.117 ( 1.225 -1.514 2.040) 2.820 12.150 ( -0.215 -0.748 -2.183) 2.318 12.259 ( 7.621 -3.024 8.137) 11.551 12.331 ( -6.597 -3.034 -9.501) 11.958 13.112 ( 7.696 -0.053 10.190) 12.769 13.200 ( -7.514 3.042 -10.022) 12.891 13.696 ( 0.008 0.896 1.535) 1.778 13.738 ( 0.361 1.897 -3.171) 3.713 13.991 ( 4.093 -0.065 5.066) 6.513 14.042 ( -3.665 2.274 -5.982) 7.375 14.435 ( 6.170 2.720 6.405) 9.300 14.459 ( -5.196 4.090 -3.996) 7.726 14.602 ( 0.087 2.594 4.956) 5.594 14.693 ( -1.201 3.749 -5.814) 7.022 15.057 ( 9.581 6.616 10.202) 15.480 15.132 ( -8.820 6.480 -11.114) 15.598 16.449 ( -2.320 -0.156 1.251) 2.640 16.480 ( 0.551 0.085 -0.195) 0.590 20.177 ( 2.649 -3.326 2.010) 4.703 20.182 ( -2.303 -3.088 -2.150) 4.411 20.342 ( -3.181 -0.334 -1.557) 3.557 20.351 ( 3.341 -0.255 1.854) 3.830 24.487 ( -2.192 2.014 1.279) 3.240 24.533 ( 1.291 2.414 -1.307) 3.034 24.819 ( 1.988 2.826 4.047) 5.321 24.861 ( -3.979 4.081 -4.737) 7.411 26.065 ( -0.854 -4.310 3.395) 5.553 26.143 ( 2.625 -2.953 -2.796) 4.840 26.426 ( -0.875 1.603 8.670) 8.861 26.577 ( 2.217 -0.025 -6.449) 6.819 27.120 ( -1.406 3.279 1.977) 4.079 27.171 ( -2.616 3.779 -3.710) 5.907 27.269 ( 0.740 -3.252 3.821) 5.072 27.360 ( 1.923 -4.164 -5.396) 7.082 28.204 ( -2.641 -3.576 -0.476) 4.471 28.229 ( 2.931 -3.452 0.630) 4.572 28.481 ( -1.681 -3.060 3.838) 5.189 28.557 ( 1.513 1.024 1.184) 2.177 28.630 ( -7.377 -10.239 -2.118) 12.796 28.757 ( 6.955 -3.020 -2.317) 7.929 29.332 ( -4.206 1.621 6.334) 7.774 29.500 ( 5.417 3.134 -6.010) 8.676 ======================= Grid point 255 (125/141) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -4.153 -3.648 -3.645) 6.621 1.546 ( 3.347 -3.928 0.502) 5.185 2.031 ( -13.254 2.410 -4.286) 14.137 2.192 ( -6.192 -0.973 1.231) 6.387 2.323 ( 4.182 4.379 -0.005) 6.055 2.385 ( 5.484 -1.315 -0.282) 5.647 2.446 ( -6.068 -4.314 1.166) 7.536 2.520 ( -5.353 -6.595 -1.602) 8.644 2.624 ( 3.627 -3.872 -0.287) 5.313 2.732 ( 9.960 1.183 -0.917) 10.072 2.950 ( -3.759 -6.037 1.695) 7.310 3.185 ( 5.748 -4.750 -1.830) 7.678 3.198 ( -4.316 -0.953 -6.175) 7.593 3.288 ( 4.934 3.296 6.100) 8.509 3.401 ( 1.673 -2.761 7.644) 8.297 3.443 ( 0.037 4.394 3.264) 5.474 3.578 ( 1.056 -6.813 0.930) 6.957 3.651 ( -3.307 -4.980 -11.533) 12.990 3.909 ( -4.022 -0.396 -0.677) 4.098 3.925 ( -3.608 0.252 -0.552) 3.659 4.023 ( 0.691 8.735 1.379) 8.870 4.084 ( -0.166 12.643 -2.730) 12.935 4.183 ( -3.094 1.129 0.594) 3.347 4.284 ( 1.624 1.493 1.469) 2.651 4.401 ( -1.049 7.695 -1.492) 7.909 4.539 ( 8.009 5.811 0.190) 9.897 4.771 ( 1.775 2.825 7.696) 8.388 4.821 ( 0.829 0.003 -1.149) 1.417 5.068 ( -0.503 -1.088 9.629) 9.704 5.133 ( -2.779 2.042 -5.697) 6.660 5.288 ( -0.281 -7.582 6.695) 10.119 5.493 ( 3.647 0.140 -6.665) 7.599 5.518 ( 0.439 -0.586 5.434) 5.483 5.628 ( 0.895 1.568 -4.026) 4.412 5.758 ( -8.280 0.934 -5.203) 9.823 5.866 ( -2.845 2.337 -7.074) 7.975 5.916 ( -3.411 5.718 2.251) 7.028 6.103 ( 13.298 4.827 7.347) 15.941 6.434 ( -0.643 -1.619 2.959) 3.434 6.565 ( 4.669 -1.758 -4.326) 6.604 6.732 ( -1.628 1.549 6.133) 6.532 6.889 ( 1.467 0.337 -6.122) 6.304 7.031 ( -0.758 1.548 -0.277) 1.746 7.067 ( -0.591 3.357 -0.260) 3.418 7.268 ( -4.655 1.947 1.281) 5.206 7.357 ( 1.553 5.000 1.231) 5.378 7.453 ( -5.853 1.717 -2.820) 6.720 7.596 ( 3.795 3.905 0.079) 5.446 7.741 ( -6.428 -5.868 3.907) 9.540 7.982 ( 9.774 -4.118 0.172) 10.607 8.024 ( -0.869 4.487 -0.674) 4.620 8.108 ( 3.507 3.414 -2.026) 5.297 8.486 ( -0.863 -1.938 1.567) 2.637 8.550 ( 1.188 -4.150 -2.021) 4.767 8.748 ( -7.536 5.615 -2.544) 9.736 8.852 ( 3.487 3.155 1.989) 5.106 10.027 ( -3.038 -5.862 0.044) 6.602 10.122 ( 3.714 -5.751 -0.373) 6.856 10.584 ( -7.509 -0.713 -5.053) 9.079 10.664 ( 6.684 -2.370 6.541) 9.647 11.387 ( -5.499 -1.874 -4.402) 7.289 11.417 ( 1.569 -1.173 2.698) 3.334 11.488 ( -6.479 -5.686 -1.287) 8.715 11.637 ( 8.763 -3.016 3.400) 9.871 11.856 ( -9.892 2.203 -6.576) 12.081 11.972 ( 7.044 1.018 5.250) 8.844 12.129 ( -1.166 -0.300 -0.361) 1.257 12.155 ( -0.469 -0.043 -1.878) 1.936 12.280 ( -7.369 0.311 -4.574) 8.678 12.437 ( 11.801 -4.344 6.915) 14.351 13.125 ( -4.050 1.123 -4.596) 6.228 13.154 ( 6.949 0.605 6.994) 9.878 13.685 ( -0.099 0.197 0.790) 0.820 13.704 ( 0.268 1.519 -1.534) 2.175 13.994 ( -6.175 -1.237 -5.527) 8.379 14.061 ( 6.081 -2.417 4.756) 8.090 14.350 ( -6.698 3.170 -5.584) 9.279 14.425 ( 5.453 1.890 4.002) 7.023 14.573 ( -1.774 0.262 1.964) 2.660 14.643 ( 1.417 1.235 -0.933) 2.099 14.978 ( -3.242 4.090 -5.002) 7.229 14.992 ( 3.838 4.906 3.408) 7.100 16.429 ( -2.249 0.479 0.599) 2.376 16.467 ( 0.353 1.369 -0.010) 1.413 20.208 ( -1.459 -0.910 -1.496) 2.279 20.230 ( 2.089 -0.743 1.417) 2.631 20.346 ( -2.592 -1.652 -1.537) 3.437 20.384 ( 2.498 -0.988 1.545) 3.100 24.441 ( -2.274 1.183 0.307) 2.582 24.501 ( 1.292 1.603 -0.625) 2.151 24.765 ( -2.844 2.699 -1.949) 4.379 24.786 ( 1.310 2.131 1.561) 2.949 26.156 ( 0.737 -4.432 4.335) 6.243 26.230 ( 1.873 -4.741 -3.436) 6.147 26.380 ( -2.637 2.152 8.208) 8.886 26.577 ( 2.892 1.793 -6.680) 7.497 27.051 ( -2.238 2.391 0.137) 3.278 27.086 ( -0.526 3.348 -1.195) 3.593 27.335 ( 0.044 -2.607 4.075) 4.838 27.442 ( 1.716 -3.096 -6.018) 6.982 28.229 ( -0.629 -0.301 0.103) 0.705 28.249 ( 0.518 1.089 -0.499) 1.305 28.447 ( -6.359 1.157 -0.867) 6.522 28.570 ( 6.653 1.860 5.193) 8.642 28.776 ( -6.024 -7.966 -3.111) 10.461 28.868 ( 4.643 -3.509 1.243) 5.951 29.332 ( -4.340 -3.157 1.772) 5.652 29.496 ( 6.014 0.998 -2.591) 6.623 ======================= Grid point 256 (126/141) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -6.505 -0.372 -5.525) 8.543 1.572 ( -0.282 0.836 0.352) 0.949 1.961 ( -3.121 0.270 -3.112) 4.416 2.087 ( -5.054 4.438 1.131) 6.821 2.260 ( 7.575 5.255 2.117) 9.459 2.396 ( 7.017 3.090 1.266) 7.771 2.515 ( -3.492 -3.428 -4.838) 6.881 2.627 ( -2.484 0.398 -0.196) 2.523 2.685 ( -0.926 -4.121 -1.642) 4.532 2.795 ( 7.327 -2.384 -0.434) 7.717 2.986 ( -0.022 0.393 7.457) 7.467 3.070 ( -1.485 5.381 -10.027) 11.476 3.223 ( 5.690 3.965 9.769) 11.981 3.272 ( -2.454 2.978 -1.192) 4.039 3.425 ( 1.253 -3.982 1.534) 4.447 3.537 ( 5.651 -4.339 5.833) 9.208 3.665 ( 3.101 7.181 -0.010) 7.822 3.703 ( -0.784 -0.614 -8.169) 8.229 3.832 ( -2.402 -0.007 -1.235) 2.701 3.866 ( -1.925 2.183 -2.473) 3.819 3.915 ( -4.167 -3.133 -0.862) 5.284 4.017 ( -5.153 -5.598 -2.118) 7.898 4.120 ( -7.718 1.444 -1.388) 7.973 4.302 ( 1.527 1.355 -3.137) 3.743 4.331 ( -0.077 -5.492 2.138) 5.894 4.527 ( 6.605 2.008 4.648) 8.322 4.767 ( -0.005 -0.568 9.075) 9.093 4.884 ( 0.465 -5.036 -3.689) 6.260 5.011 ( -5.337 0.625 0.171) 5.376 5.150 ( 1.904 -1.760 0.074) 2.594 5.379 ( -0.011 -2.413 7.142) 7.538 5.495 ( -0.785 1.520 5.878) 6.121 5.528 ( -5.494 7.179 -2.634) 9.416 5.585 ( 1.569 -4.839 -2.052) 5.485 5.686 ( -5.583 0.833 -8.657) 10.335 5.778 ( 0.781 0.319 3.171) 3.281 5.896 ( 1.283 1.019 -5.725) 5.954 6.104 ( 16.416 3.713 7.278) 18.337 6.469 ( -0.209 -1.829 3.030) 3.546 6.625 ( 6.133 -1.293 -2.332) 6.688 6.728 ( -0.781 -1.282 6.905) 7.066 6.874 ( 0.252 2.643 -7.374) 7.837 7.003 ( -2.508 0.676 -1.566) 3.033 7.025 ( -0.750 -1.592 2.751) 3.265 7.254 ( -5.384 -2.564 -0.773) 6.013 7.272 ( -0.791 1.708 0.652) 1.992 7.404 ( -5.471 -0.438 -6.000) 8.132 7.524 ( -2.561 2.121 -1.713) 3.741 7.838 ( -0.318 -3.098 0.780) 3.211 7.937 ( -0.263 2.147 6.955) 7.283 8.118 ( 6.004 -0.699 -0.844) 6.103 8.146 ( 9.667 -4.496 0.076) 10.662 8.476 ( -7.260 -0.598 -3.410) 8.043 8.563 ( -9.486 7.003 -3.247) 12.229 8.663 ( 3.809 -4.378 0.980) 5.885 8.822 ( 5.037 2.510 2.528) 6.169 10.075 ( -1.631 -0.085 -0.171) 1.642 10.203 ( 3.941 0.173 0.082) 3.945 10.534 ( -7.323 1.077 -3.474) 8.176 10.743 ( 6.314 -1.268 4.718) 7.983 11.340 ( -3.734 2.639 -3.261) 5.616 11.426 ( 2.533 1.493 1.146) 3.156 11.518 ( -4.697 -0.390 -2.493) 5.332 11.698 ( 7.658 2.021 4.755) 9.238 11.791 ( -8.230 -1.837 -4.915) 9.761 12.034 ( 4.951 -3.413 3.865) 7.148 12.123 ( -1.622 0.115 -0.842) 1.831 12.150 ( -0.499 -0.298 -1.412) 1.527 12.205 ( -8.461 2.199 -4.133) 9.670 12.578 ( 12.268 -1.921 6.694) 14.107 13.086 ( -2.365 1.153 -1.217) 2.899 13.181 ( 5.697 0.583 4.005) 6.988 13.681 ( -0.189 0.404 0.996) 1.091 13.693 ( -0.361 -0.911 -1.088) 1.464 14.000 ( -5.539 -3.222 -3.211) 7.167 14.144 ( 3.497 -2.094 2.906) 5.006 14.250 ( -7.739 2.214 -6.839) 10.563 14.438 ( 4.707 0.000 1.962) 5.100 14.563 ( -3.303 -0.785 -0.549) 3.439 14.646 ( 1.292 -0.434 2.343) 2.711 14.894 ( 0.475 5.071 2.914) 5.868 14.982 ( 1.797 -3.887 -3.880) 5.779 16.409 ( -1.005 0.608 0.002) 1.175 16.442 ( 1.036 1.298 0.429) 1.716 20.205 ( -1.007 0.342 -1.082) 1.517 20.244 ( 1.818 0.471 1.222) 2.241 20.356 ( -2.256 -0.738 -1.417) 2.764 20.412 ( 1.440 -0.451 1.184) 1.918 24.418 ( -1.530 -0.120 -0.670) 1.675 24.487 ( 1.037 0.531 0.143) 1.174 24.710 ( -1.573 1.440 -1.364) 2.531 24.771 ( 2.352 0.564 0.910) 2.584 26.224 ( -0.248 -0.925 5.307) 5.393 26.311 ( 1.115 -0.082 3.456) 3.632 26.353 ( -3.621 -3.552 -0.956) 5.162 26.542 ( 2.546 2.035 -5.557) 6.443 27.010 ( -0.689 0.577 0.696) 1.137 27.042 ( 0.346 1.058 -1.055) 1.534 27.363 ( -0.466 -0.082 3.995) 4.023 27.488 ( 1.285 -0.880 -6.519) 6.703 28.225 ( -0.662 -0.232 -0.367) 0.792 28.239 ( 0.365 -0.289 0.102) 0.477 28.392 ( -4.068 1.331 -1.811) 4.647 28.550 ( 6.204 4.188 4.788) 8.885 28.849 ( -3.309 -2.462 0.268) 4.133 28.942 ( 1.441 -2.072 -0.438) 2.562 29.358 ( -4.012 -1.179 -1.609) 4.480 29.516 ( 3.470 0.197 0.597) 3.527 ======================= Grid point 262 (127/141) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 5.008 -0.000 13.113) 14.037 1.466 ( -2.174 0.000 4.237) 4.762 1.606 ( -5.686 0.000 -2.252) 6.115 1.696 ( 4.932 -0.000 -9.745) 10.922 1.854 ( -12.747 0.000 1.203) 12.803 1.940 ( 14.395 -0.000 -9.447) 17.218 2.225 ( 3.616 -0.000 11.281) 11.846 2.432 ( -1.034 0.000 -9.331) 9.388 2.590 ( 5.637 -0.000 -0.524) 5.661 2.631 ( -5.201 0.000 -4.953) 7.182 2.818 ( 0.697 -0.000 2.956) 3.037 2.863 ( -8.422 0.000 -2.282) 8.725 3.275 ( -8.419 0.000 10.426) 13.401 3.285 ( 4.209 -0.000 3.758) 5.643 3.397 ( -5.699 0.000 -5.902) 8.204 3.457 ( 3.882 -0.000 -4.938) 6.281 3.706 ( 0.584 -0.000 7.795) 7.817 3.785 ( 7.677 -0.000 7.390) 10.656 3.923 ( -3.348 0.000 -6.166) 7.016 4.035 ( 2.338 -0.000 -11.153) 11.396 4.092 ( 1.270 -0.000 10.376) 10.454 4.120 ( -3.639 0.000 7.440) 8.283 4.254 ( 6.157 -0.000 4.122) 7.409 4.358 ( -7.974 0.000 -6.818) 10.491 4.612 ( 9.511 -0.000 9.371) 13.352 4.799 ( 3.332 -0.000 4.623) 5.699 4.844 ( -3.110 0.000 -9.608) 10.099 4.934 ( -1.488 0.000 -3.758) 4.042 5.215 ( -2.255 0.000 -2.335) 3.246 5.256 ( 1.852 -0.000 -7.982) 8.195 5.421 ( 1.276 -0.000 2.901) 3.169 5.495 ( -2.618 0.000 -0.422) 2.652 5.643 ( 1.374 -0.000 -2.090) 2.501 5.666 ( -0.426 0.000 0.185) 0.465 5.758 ( 10.569 -0.000 3.665) 11.186 5.885 ( -9.543 0.000 -8.599) 12.845 6.149 ( 0.411 -0.000 0.300) 0.509 6.214 ( -4.449 0.000 -7.055) 8.340 6.531 ( 1.332 -0.000 8.610) 8.712 6.687 ( 1.118 -0.000 -7.021) 7.109 7.053 ( -5.234 0.000 8.914) 10.337 7.148 ( 14.454 -0.000 9.912) 17.526 7.194 ( 1.599 -0.000 5.519) 5.746 7.318 ( -5.034 0.000 1.954) 5.400 7.324 ( 2.462 -0.000 3.183) 4.024 7.478 ( -4.950 0.000 -6.972) 8.550 7.541 ( 4.426 -0.000 3.809) 5.839 7.630 ( -9.774 0.000 -11.043) 14.747 7.772 ( -1.506 0.000 -1.111) 1.871 7.778 ( 2.516 -0.000 -2.821) 3.780 8.521 ( -0.423 0.000 3.631) 3.656 8.564 ( 3.890 -0.000 0.126) 3.892 8.670 ( 3.160 -0.000 2.183) 3.841 8.743 ( -5.801 0.000 -6.029) 8.367 9.000 ( -1.875 0.000 1.934) 2.693 9.023 ( 1.076 -0.000 -0.989) 1.461 9.552 ( 9.683 -0.000 6.425) 11.621 9.645 ( -8.634 0.000 -3.265) 9.230 10.333 ( 3.731 -0.000 5.241) 6.433 10.427 ( -3.697 0.000 -4.794) 6.054 10.993 ( -8.571 0.000 1.537) 8.707 11.045 ( 6.203 -0.000 -3.641) 7.193 11.118 ( 3.674 -0.000 2.911) 4.687 11.178 ( -3.659 0.000 -3.334) 4.950 11.744 ( 7.925 -0.000 15.813) 17.688 11.983 ( -3.870 0.000 -8.458) 9.302 12.029 ( 7.409 -0.000 5.225) 9.066 12.127 ( -1.835 0.000 -6.124) 6.393 12.151 ( 5.338 -0.000 2.301) 5.813 12.215 ( -9.485 0.000 -5.293) 10.862 13.040 ( 9.120 -0.000 15.844) 18.281 13.403 ( -11.406 0.000 -22.013) 24.793 13.731 ( -0.267 0.000 2.426) 2.441 13.821 ( -0.807 0.000 -8.190) 8.230 14.246 ( 3.933 -0.000 1.031) 4.066 14.268 ( -7.764 0.000 -1.791) 7.968 14.470 ( 5.873 -0.000 4.607) 7.464 14.570 ( -4.351 0.000 -5.824) 7.270 14.835 ( 4.382 -0.000 7.027) 8.281 14.948 ( -3.852 0.000 -5.090) 6.383 15.395 ( 3.075 -0.000 5.809) 6.573 15.495 ( -3.469 0.000 -4.967) 6.059 16.348 ( 0.865 -0.000 3.237) 3.351 16.393 ( -1.839 0.000 -1.182) 2.186 19.958 ( 1.685 -0.000 0.317) 1.715 19.964 ( -1.916 0.000 -0.296) 1.939 20.380 ( 2.599 -0.000 1.966) 3.258 20.409 ( -2.576 0.000 -1.046) 2.780 24.574 ( -1.216 0.000 2.641) 2.907 24.624 ( 0.753 -0.000 -2.683) 2.786 24.927 ( 3.067 -0.000 7.440) 8.047 25.087 ( -3.185 0.000 -9.652) 10.164 25.941 ( -4.705 0.000 4.853) 6.759 26.045 ( 5.828 -0.000 -5.937) 8.320 26.559 ( 9.992 -0.000 7.555) 12.527 26.670 ( -8.329 0.000 -4.466) 9.451 27.026 ( 1.731 -0.000 1.117) 2.060 27.043 ( -1.125 0.000 -0.506) 1.233 27.273 ( 4.190 -0.000 5.812) 7.165 27.394 ( -6.569 0.000 -7.050) 9.636 27.851 ( -1.726 0.000 -0.099) 1.729 27.860 ( 0.395 -0.000 -0.849) 0.936 28.071 ( -0.966 0.000 0.158) 0.979 28.074 ( 0.963 -0.000 -0.226) 0.989 28.763 ( -3.233 0.000 3.726) 4.933 28.800 ( 3.419 -0.000 -0.420) 3.444 29.649 ( -7.827 0.000 2.928) 8.357 29.727 ( 9.326 -0.000 -5.537) 10.846 ======================= Grid point 263 (128/141) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -4.236 4.066 10.256) 11.817 1.465 ( 2.612 3.507 -6.751) 8.043 1.667 ( -4.657 -11.855 9.493) 15.885 1.741 ( -16.973 -7.067 -2.293) 18.528 1.898 ( 3.080 -8.029 -4.938) 9.917 2.031 ( 9.434 -1.707 -8.294) 12.677 2.324 ( 2.081 -6.490 8.141) 10.618 2.460 ( -2.522 -2.603 -9.295) 9.976 2.604 ( -1.803 -1.094 -2.426) 3.214 2.644 ( 1.633 -1.912 -4.176) 4.874 2.795 ( -2.079 1.947 3.012) 4.145 2.883 ( 8.132 -2.140 2.036) 8.652 3.206 ( -4.958 -0.325 11.035) 12.103 3.321 ( -7.748 -0.039 1.500) 7.892 3.348 ( -4.772 1.900 -6.362) 8.177 3.443 ( 6.445 1.971 -0.183) 6.742 3.638 ( -1.833 5.080 6.961) 8.810 3.774 ( 2.599 4.716 0.228) 5.390 3.890 ( -5.774 0.205 -0.808) 5.834 4.034 ( -0.772 -1.507 -4.153) 4.485 4.104 ( -0.274 -0.295 7.457) 7.468 4.185 ( -0.988 -5.186 -0.565) 5.310 4.306 ( -4.514 -3.939 2.299) 6.417 4.396 ( -1.014 -7.374 -1.419) 7.578 4.681 ( 10.886 0.415 9.614) 14.530 4.782 ( -3.558 1.611 -7.054) 8.063 4.842 ( 2.653 3.952 -2.147) 5.222 4.918 ( 6.662 0.318 -3.259) 7.423 5.160 ( -5.717 2.949 -0.286) 6.440 5.299 ( 2.478 -3.281 -7.057) 8.167 5.375 ( -1.570 9.902 4.250) 10.889 5.455 ( -2.535 -2.064 0.045) 3.269 5.625 ( 4.808 3.865 -3.003) 6.861 5.669 ( 4.012 0.444 -6.099) 7.314 5.800 ( 8.522 0.275 7.208) 11.165 5.864 ( -4.505 -2.691 -8.744) 10.198 6.139 ( -1.092 1.579 0.347) 1.950 6.186 ( 0.647 1.348 -3.126) 3.466 6.527 ( 0.732 1.806 6.986) 7.253 6.656 ( 1.063 3.771 -6.543) 7.626 6.987 ( -6.531 3.816 8.915) 11.692 7.160 ( 3.928 4.493 -3.903) 7.131 7.180 ( -4.127 4.979 4.767) 8.034 7.293 ( 5.311 -1.450 10.798) 12.120 7.315 ( 6.458 2.836 -0.014) 7.053 7.389 ( 0.482 1.815 -2.468) 3.101 7.562 ( -3.378 0.339 -0.811) 3.490 7.608 ( -0.564 0.607 -4.664) 4.737 7.829 ( -3.690 -6.966 -2.144) 8.169 7.866 ( 5.064 -4.513 0.231) 6.787 8.350 ( -0.911 12.322 4.321) 13.090 8.440 ( 1.921 9.086 -3.769) 10.023 8.702 ( -1.511 4.521 0.473) 4.791 8.725 ( -1.006 2.731 -2.017) 3.541 8.958 ( -2.020 1.263 0.956) 2.567 8.977 ( -0.437 3.138 0.100) 3.169 9.623 ( -7.900 -3.995 -2.348) 9.159 9.654 ( 6.456 -4.619 3.968) 8.875 10.405 ( 3.389 -4.380 5.584) 7.865 10.450 ( -4.085 -4.429 -4.797) 7.701 11.019 ( -8.044 -7.076 1.871) 10.876 11.128 ( 4.048 -3.580 -0.562) 5.432 11.177 ( -3.684 -3.068 -2.072) 5.223 11.199 ( 4.020 -6.195 0.057) 7.385 11.843 ( 8.151 -3.898 13.190) 15.988 11.964 ( -3.103 -0.820 -7.636) 8.283 12.068 ( 2.188 -0.822 1.958) 3.049 12.114 ( -2.984 -0.602 -6.516) 7.192 12.166 ( -8.591 -1.030 -3.055) 9.177 12.224 ( 7.827 -2.470 1.412) 8.328 13.114 ( 12.402 0.077 17.167) 21.179 13.316 ( -9.829 1.532 -21.518) 23.706 13.726 ( -0.413 0.465 2.245) 2.330 13.801 ( -0.319 1.196 -6.339) 6.459 14.146 ( -2.176 6.110 4.375) 7.823 14.234 ( 1.034 4.511 -3.351) 5.714 14.497 ( 4.266 0.579 5.415) 6.918 14.553 ( -2.960 -0.081 -5.719) 6.440 14.798 ( 0.343 5.468 6.770) 8.709 14.880 ( -3.278 3.719 -5.508) 7.410 15.346 ( 6.196 6.600 7.485) 11.746 15.404 ( -5.568 6.099 -7.012) 10.833 16.383 ( -1.245 -2.567 2.697) 3.926 16.413 ( -1.122 -2.827 -0.425) 3.071 19.996 ( -0.810 -4.161 0.333) 4.252 20.009 ( 0.460 -3.915 -0.308) 3.953 20.378 ( -3.023 1.296 -1.237) 3.514 20.384 ( 2.817 1.144 1.953) 3.613 24.557 ( -1.622 1.050 2.599) 3.238 24.615 ( 0.416 1.168 -2.352) 2.659 24.924 ( 1.558 1.914 6.923) 7.350 25.024 ( -5.170 3.211 -8.731) 10.643 25.938 ( -3.236 -1.910 3.955) 5.456 26.089 ( 5.850 -0.742 -5.343) 7.957 26.545 ( 6.918 5.617 8.541) 12.343 26.597 ( -3.869 1.913 -5.943) 7.345 27.079 ( -2.013 -3.908 0.725) 4.455 27.117 ( 2.662 -5.800 0.007) 6.382 27.270 ( -1.230 2.484 3.465) 4.437 27.345 ( -0.664 1.203 -4.912) 5.101 27.923 ( 0.509 -7.688 1.739) 7.899 27.938 ( -1.498 -6.883 -1.320) 7.167 28.153 ( -0.154 -8.131 -0.143) 8.134 28.170 ( 2.739 -8.363 -0.350) 8.807 28.712 ( -3.004 3.177 3.820) 5.806 28.798 ( 3.393 2.147 -1.024) 4.143 29.540 ( -8.739 5.406 2.618) 10.604 29.715 ( 7.103 5.586 -5.533) 10.596 ======================= Grid point 264 (129/141) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.347 -5.584 6.988) 9.046 1.419 ( 2.042 1.901 -5.519) 6.184 1.796 ( -14.975 -12.057 4.186) 19.675 1.970 ( -1.410 -14.801 7.076) 16.466 2.050 ( -5.183 -5.413 -5.975) 9.585 2.148 ( 4.634 -7.720 -4.442) 10.040 2.405 ( -10.863 -3.435 -3.196) 11.833 2.485 ( 2.079 1.192 0.164) 2.402 2.623 ( -2.678 -2.380 -0.696) 3.649 2.677 ( 0.487 -1.878 -4.794) 5.171 2.783 ( 6.887 0.212 1.958) 7.163 2.961 ( 10.272 0.597 -2.478) 10.584 3.230 ( -5.057 -0.080 6.085) 7.913 3.278 ( -4.561 0.042 1.167) 4.708 3.298 ( -3.113 -6.700 0.591) 7.412 3.444 ( 6.360 3.307 1.001) 7.237 3.545 ( -2.599 2.477 1.759) 3.998 3.683 ( 0.720 4.545 -0.653) 4.648 3.837 ( -9.024 0.451 0.671) 9.060 4.059 ( -0.150 0.729 -1.709) 1.864 4.106 ( -2.463 -1.133 5.605) 6.226 4.235 ( 0.001 -0.347 -7.288) 7.297 4.392 ( -3.765 -4.972 4.115) 7.472 4.549 ( -1.800 -3.318 -0.786) 3.856 4.667 ( -5.128 1.767 1.112) 5.537 4.727 ( 7.952 0.888 8.122) 11.401 4.744 ( 4.967 7.385 -1.131) 8.971 4.962 ( 7.258 0.517 -5.705) 9.246 5.075 ( -2.552 4.392 2.310) 5.580 5.119 ( -4.710 9.455 2.762) 10.919 5.360 ( 2.884 1.634 -4.537) 5.618 5.500 ( 4.712 -0.774 -1.637) 5.048 5.518 ( -0.584 5.356 -2.043) 5.762 5.687 ( 3.201 0.191 -6.649) 7.382 5.861 ( 2.883 -0.432 3.498) 4.553 5.896 ( 0.716 -0.406 -5.473) 5.535 6.061 ( -6.385 1.938 -5.598) 8.709 6.196 ( 10.906 1.548 6.228) 12.654 6.471 ( -1.604 3.746 2.787) 4.937 6.560 ( 1.623 4.951 -2.612) 5.828 6.858 ( -5.403 4.003 8.223) 10.622 7.055 ( 1.396 5.921 -4.498) 7.566 7.118 ( -1.122 1.899 -0.088) 2.208 7.230 ( 4.312 5.818 -0.290) 7.248 7.323 ( -3.924 -0.569 2.058) 4.467 7.481 ( 6.621 -1.997 4.288) 8.137 7.508 ( -0.736 -0.088 -0.344) 0.817 7.584 ( 4.837 4.184 1.942) 6.684 7.876 ( -6.607 -0.098 -5.761) 8.767 7.962 ( 5.103 0.860 3.483) 6.238 8.154 ( -1.429 5.716 5.288) 7.917 8.313 ( 4.539 4.231 -6.668) 9.109 8.511 ( -4.720 9.029 0.781) 10.218 8.601 ( 1.724 7.562 -1.083) 7.831 8.910 ( -4.484 2.990 -1.529) 5.602 8.939 ( -0.647 0.751 0.316) 1.041 9.707 ( -5.443 -8.367 -0.884) 10.021 9.811 ( 4.098 -7.779 1.674) 8.951 10.498 ( -4.976 -4.037 -3.523) 7.312 10.533 ( 3.225 -4.556 4.683) 7.286 11.136 ( -7.037 -8.650 0.788) 11.179 11.214 ( -5.379 -5.945 -2.587) 8.424 11.249 ( 1.233 -5.587 2.792) 6.367 11.399 ( 8.042 -8.696 0.551) 11.858 11.941 ( -2.626 -3.116 -1.291) 4.275 11.953 ( -4.265 0.865 -2.935) 5.249 12.092 ( -0.654 -1.212 -2.181) 2.579 12.127 ( -0.134 -0.555 -2.097) 2.174 12.189 ( 0.800 -6.808 3.009) 7.487 12.312 ( 8.080 -0.613 1.616) 8.263 13.187 ( 9.749 1.380 11.323) 15.005 13.211 ( -4.122 2.526 -10.384) 11.454 13.711 ( -0.688 0.774 1.680) 1.973 13.773 ( 0.588 1.407 -4.374) 4.632 14.035 ( -1.610 3.943 2.360) 4.869 14.127 ( 2.810 6.039 -1.660) 6.865 14.484 ( -4.206 1.818 -3.820) 5.966 14.524 ( 3.541 2.683 4.186) 6.104 14.680 ( -1.436 5.109 5.602) 7.717 14.774 ( -1.320 5.013 -5.358) 7.455 15.208 ( -8.261 7.581 -9.804) 14.894 15.262 ( 8.879 7.545 8.844) 14.628 16.411 ( -3.883 -1.651 1.488) 4.475 16.463 ( -0.264 -2.100 0.182) 2.124 20.085 ( -2.032 -5.119 -2.121) 5.902 20.110 ( 2.492 -5.078 1.985) 5.995 20.330 ( -3.340 1.273 -1.543) 3.894 20.381 ( 3.159 0.909 1.781) 3.739 24.516 ( -2.132 2.031 2.090) 3.611 24.583 ( 0.400 2.081 -1.688) 2.709 24.884 ( -0.093 2.815 4.950) 5.695 24.909 ( -5.858 4.062 -6.200) 9.448 25.979 ( -1.566 -3.629 3.261) 5.124 26.132 ( 4.919 -0.784 -3.708) 6.210 26.478 ( 1.555 3.900 7.437) 8.540 26.580 ( 2.488 -0.583 -5.086) 5.691 27.131 ( -5.095 -2.546 -0.614) 5.728 27.185 ( -1.888 2.880 3.756) 5.096 27.238 ( 1.149 -3.416 -0.166) 3.608 27.332 ( 3.825 0.726 -4.519) 5.964 28.065 ( -3.806 -7.441 -1.439) 8.481 28.122 ( 3.139 -9.873 2.656) 10.695 28.330 ( -2.860 -9.427 -1.701) 9.997 28.395 ( 3.485 -10.517 0.853) 11.112 28.620 ( -2.602 4.026 3.447) 5.904 28.785 ( 6.389 1.031 -1.240) 6.589 29.374 ( -8.031 5.457 3.390) 10.284 29.626 ( 5.841 6.188 -6.128) 10.486 ======================= Grid point 265 (130/141) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.201 -1.646 -4.381) 4.684 1.441 ( 2.620 -7.999 2.606) 8.811 1.950 ( -11.923 -5.677 1.284) 13.268 2.038 ( -9.004 -6.083 0.501) 10.878 2.248 ( -2.724 -10.797 2.616) 11.438 2.305 ( -2.697 -6.773 -1.457) 7.435 2.380 ( -7.578 -1.293 1.464) 7.825 2.437 ( -1.932 1.411 -2.571) 3.512 2.619 ( 2.790 0.771 -1.599) 3.307 2.784 ( 2.871 -6.462 -1.791) 7.294 2.834 ( 7.925 0.603 1.329) 8.058 3.070 ( 9.172 -7.334 -3.152) 12.159 3.208 ( -1.889 2.397 -0.128) 3.055 3.276 ( -10.425 -6.560 -0.341) 12.322 3.390 ( 0.328 2.102 2.000) 2.920 3.415 ( 3.380 -0.295 4.280) 5.462 3.552 ( 1.231 -2.735 -5.459) 6.228 3.622 ( -1.612 2.038 3.317) 4.213 3.809 ( -4.342 -3.819 1.181) 5.902 3.971 ( -1.911 5.979 -5.224) 8.166 4.110 ( -4.819 0.307 1.809) 5.156 4.209 ( -0.841 2.573 -2.834) 3.919 4.359 ( 1.753 9.177 0.360) 9.350 4.392 ( 2.988 8.347 0.012) 8.866 4.589 ( 2.501 10.738 2.294) 11.262 4.713 ( -0.008 4.086 4.288) 5.923 4.802 ( 0.824 -4.919 4.426) 6.668 4.869 ( -0.799 5.419 -1.235) 5.615 5.050 ( 5.686 1.142 4.272) 7.203 5.093 ( 4.511 -6.590 1.736) 8.172 5.219 ( -4.775 7.230 -0.271) 8.669 5.498 ( -1.258 -1.810 -1.658) 2.758 5.536 ( 5.025 0.845 -1.943) 5.453 5.687 ( 1.205 1.135 -6.356) 6.568 5.762 ( -6.468 6.090 -7.560) 11.665 5.877 ( 0.254 2.651 -2.289) 3.511 6.009 ( -3.178 3.328 1.757) 4.926 6.234 ( 10.469 1.465 5.368) 11.856 6.415 ( -0.255 0.067 3.205) 3.216 6.539 ( 2.426 -1.348 -0.863) 2.906 6.794 ( 0.657 2.161 7.002) 7.357 6.945 ( 2.385 5.726 -4.714) 7.791 7.058 ( -1.379 2.526 -3.047) 4.191 7.153 ( -0.361 5.049 1.677) 5.332 7.294 ( -4.339 2.112 -0.740) 4.882 7.444 ( 2.128 2.587 1.763) 3.785 7.501 ( 1.653 4.170 2.798) 5.287 7.596 ( 2.250 -1.279 2.377) 3.514 7.772 ( -4.260 8.444 0.558) 9.474 7.923 ( 2.358 -2.764 -5.998) 7.013 8.122 ( 0.531 0.469 3.482) 3.553 8.210 ( 0.967 7.592 -4.763) 9.015 8.478 ( 3.526 -4.439 4.419) 7.187 8.502 ( 2.451 3.927 -1.178) 4.776 8.798 ( -7.720 4.395 -3.766) 9.648 8.909 ( -0.618 1.801 0.414) 1.948 9.857 ( -3.274 -9.109 -0.028) 9.680 9.996 ( 2.831 -8.557 0.414) 9.022 10.515 ( -6.364 -1.852 -5.165) 8.403 10.644 ( 5.139 -3.830 7.021) 9.506 11.251 ( -6.411 -6.939 -2.290) 9.721 11.304 ( -7.932 -7.228 -1.155) 10.794 11.372 ( 1.554 -5.084 2.930) 6.070 11.606 ( 10.193 -6.409 2.835) 12.370 11.859 ( -8.043 3.331 -5.565) 10.332 11.976 ( -4.806 -2.787 -3.321) 6.473 12.107 ( -0.614 -0.542 -2.355) 2.493 12.128 ( -1.349 -0.435 -1.625) 2.156 12.314 ( 3.905 2.218 -0.225) 4.496 12.394 ( 9.790 -6.685 9.107) 14.949 13.118 ( -4.697 1.342 -7.342) 8.819 13.243 ( 11.741 2.356 11.898) 16.881 13.691 ( -0.929 0.656 0.979) 1.500 13.745 ( 1.105 1.987 -2.760) 3.576 13.965 ( -3.523 1.704 -5.126) 6.449 14.082 ( 5.639 1.006 4.663) 7.386 14.381 ( -6.721 4.202 -6.377) 10.174 14.494 ( 2.236 2.517 4.631) 5.726 14.604 ( 0.558 2.886 3.483) 4.558 14.689 ( 0.955 2.821 -2.401) 3.826 15.017 ( -8.305 5.645 -11.168) 15.019 15.173 ( 7.900 7.564 8.733) 13.996 16.407 ( -4.294 -0.732 0.804) 4.430 16.482 ( -0.581 -0.044 0.068) 0.587 20.158 ( -1.435 -3.371 -2.110) 4.229 20.214 ( 3.114 -3.108 2.361) 4.993 20.298 ( -3.498 -0.560 -1.974) 4.056 20.391 ( 2.774 0.005 1.437) 3.124 24.460 ( -2.243 2.096 1.159) 3.282 24.544 ( 0.591 2.096 -1.001) 2.397 24.795 ( -5.414 2.998 -3.842) 7.284 24.837 ( -0.279 2.497 3.195) 4.065 26.063 ( 0.103 -5.168 3.172) 6.064 26.186 ( 4.517 -2.008 -2.684) 5.625 26.418 ( -1.085 2.890 7.026) 7.674 26.612 ( 4.005 -0.009 -5.190) 6.555 27.082 ( -4.304 2.433 0.193) 4.948 27.137 ( -2.828 2.197 -0.340) 3.597 27.291 ( 2.027 -1.928 4.044) 4.918 27.384 ( 2.545 -3.386 -6.078) 7.409 28.171 ( -2.614 -5.127 -0.512) 5.778 28.263 ( 2.491 -1.358 0.014) 2.837 28.438 ( -4.191 -0.505 0.544) 4.256 28.538 ( -7.386 -9.103 -1.547) 11.824 28.609 ( 5.155 -2.248 4.669) 7.310 28.847 ( 7.991 -2.035 -0.757) 8.281 29.273 ( -5.700 0.176 4.268) 7.123 29.567 ( 5.945 3.002 -6.442) 9.266 ======================= Grid point 266 (131/141) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -3.508 -1.772 -4.258) 5.795 1.569 ( 0.528 -2.073 0.178) 2.147 1.917 ( -4.608 -1.634 -2.906) 5.688 2.106 ( -6.809 -0.784 2.232) 7.209 2.336 ( -2.173 -0.368 -1.340) 2.580 2.369 ( -4.194 -5.766 3.908) 8.131 2.446 ( 1.861 -3.009 -1.889) 4.011 2.459 ( -5.482 -7.571 -0.366) 9.354 2.687 ( 6.038 -3.172 1.533) 6.991 2.832 ( 6.061 2.593 -1.318) 6.723 2.922 ( -0.625 -5.378 -0.237) 5.420 3.124 ( -1.627 3.967 -2.996) 5.231 3.282 ( 2.944 0.907 -1.134) 3.282 3.296 ( 1.224 -5.680 0.130) 5.812 3.420 ( -5.352 -9.180 1.610) 10.747 3.461 ( 0.337 0.544 8.594) 8.617 3.563 ( 0.352 -0.866 0.775) 1.214 3.607 ( -1.788 -4.249 -6.383) 7.873 3.860 ( -3.676 3.414 -5.424) 7.388 3.892 ( 0.284 -1.833 1.282) 2.255 4.023 ( 0.040 4.581 -2.006) 5.001 4.121 ( 5.100 15.377 -2.631) 16.413 4.133 ( -5.240 3.270 0.576) 6.204 4.290 ( -0.402 4.573 1.934) 4.981 4.425 ( 4.934 7.283 0.197) 8.799 4.620 ( 4.312 3.017 0.817) 5.325 4.797 ( 1.582 3.944 8.394) 9.409 4.840 ( 2.224 -0.068 -1.734) 2.821 5.035 ( -5.458 3.621 4.044) 7.697 5.129 ( 2.779 -1.822 -1.278) 3.560 5.298 ( 0.652 -7.805 6.003) 9.868 5.515 ( -0.478 0.094 2.581) 2.626 5.533 ( 2.413 1.003 -5.089) 5.720 5.628 ( -4.283 3.217 -4.134) 6.766 5.648 ( -2.299 1.608 -3.685) 4.631 5.829 ( -2.604 3.400 -0.560) 4.319 5.898 ( -1.433 1.810 -1.156) 2.582 6.257 ( 8.485 2.512 3.191) 9.407 6.448 ( 2.662 -1.278 4.137) 5.083 6.625 ( 3.585 -5.082 2.580) 6.733 6.751 ( 6.736 4.688 5.220) 9.726 6.896 ( 0.773 0.392 -6.308) 6.367 7.014 ( -7.675 4.300 -3.006) 9.297 7.016 ( -2.952 0.937 -1.790) 3.578 7.232 ( -0.903 2.534 1.462) 3.062 7.359 ( -0.915 6.957 1.630) 7.204 7.392 ( -3.535 2.977 -3.232) 5.640 7.575 ( -5.338 6.165 -1.808) 8.353 7.732 ( 3.291 -7.495 5.903) 10.093 8.016 ( -0.292 1.944 -2.794) 3.417 8.097 ( 8.223 -2.567 0.220) 8.617 8.169 ( 5.729 0.002 1.282) 5.870 8.440 ( -3.058 1.699 -5.691) 6.681 8.600 ( 1.645 -2.575 3.845) 4.911 8.648 ( -5.881 4.700 -2.349) 7.886 8.874 ( -0.292 1.290 0.956) 1.632 10.000 ( -1.425 -6.340 0.216) 6.502 10.161 ( 2.281 -6.173 0.082) 6.581 10.499 ( -5.232 -0.418 -4.013) 6.607 10.743 ( 5.010 -2.504 5.889) 8.127 11.312 ( -5.905 -2.974 -3.944) 7.699 11.393 ( -4.394 -5.522 0.599) 7.082 11.448 ( -1.030 -2.630 0.664) 2.901 11.734 ( -0.271 1.430 -1.497) 2.088 11.779 ( 5.703 -1.166 3.169) 6.628 11.993 ( -5.909 -2.460 -4.148) 7.627 12.101 ( -1.080 0.363 -1.750) 2.088 12.131 ( -0.630 -0.707 -1.036) 1.404 12.256 ( 1.338 4.336 0.443) 4.559 12.577 ( 8.776 -5.050 6.953) 12.283 13.084 ( -2.181 0.261 -2.926) 3.659 13.253 ( 7.103 2.645 6.060) 9.705 13.679 ( -0.588 0.076 0.542) 0.804 13.710 ( 0.808 1.864 -1.234) 2.377 13.932 ( -2.527 -0.566 -3.325) 4.214 14.131 ( 4.470 -1.671 3.967) 6.205 14.256 ( -7.302 3.482 -6.701) 10.505 14.467 ( 0.950 1.056 2.406) 2.794 14.566 ( 1.226 1.915 0.182) 2.281 14.668 ( 1.793 1.069 2.059) 2.932 14.910 ( -4.245 0.037 -8.815) 9.784 15.061 ( 3.999 7.829 5.853) 10.562 16.398 ( -2.716 -0.622 0.532) 2.837 16.467 ( -0.501 0.921 0.011) 1.048 20.193 ( -0.842 -1.050 -1.373) 1.923 20.256 ( 1.758 -0.267 1.491) 2.320 20.316 ( -1.813 -2.149 -1.488) 3.182 20.411 ( 1.669 -0.497 1.084) 2.051 24.418 ( -1.347 0.985 0.170) 1.678 24.511 ( 0.501 1.461 -0.487) 1.619 24.724 ( -3.274 1.467 -2.018) 4.117 24.798 ( -0.102 1.374 1.719) 2.203 26.172 ( 1.133 -4.888 4.268) 6.588 26.261 ( 3.816 -3.186 -3.311) 5.973 26.355 ( -2.511 2.728 6.989) 7.912 26.603 ( 2.152 2.565 -5.909) 6.791 27.023 ( -2.241 1.456 0.767) 2.780 27.073 ( -1.375 2.240 -0.972) 2.803 27.343 ( 0.572 -1.911 3.887) 4.369 27.457 ( 1.523 -2.737 -6.006) 6.773 28.223 ( -0.257 -0.920 0.352) 1.018 28.253 ( 0.095 1.474 -0.778) 1.669 28.381 ( -4.214 1.085 -0.249) 4.359 28.640 ( 1.745 0.676 0.186) 1.880 28.710 ( -2.318 -8.216 2.786) 8.980 28.921 ( 3.995 -1.548 0.623) 4.330 29.289 ( -2.741 -3.188 1.903) 4.615 29.559 ( 4.577 1.491 -3.908) 6.200 ======================= Grid point 273 (132/141) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -14.477 0.000 8.917) 17.003 1.418 ( 3.435 -0.000 7.967) 8.676 1.522 ( -23.823 0.000 1.217) 23.854 1.552 ( -2.427 0.000 -9.370) 9.679 1.843 ( 5.488 -0.000 -6.306) 8.360 2.056 ( 0.213 -0.000 -8.333) 8.336 2.299 ( 10.794 -0.000 9.577) 14.430 2.389 ( -5.963 0.000 -12.655) 13.989 2.571 ( -2.458 0.000 -3.010) 3.887 2.652 ( 4.013 -0.000 -0.038) 4.013 2.825 ( 2.825 -0.000 3.949) 4.855 2.900 ( 10.523 -0.000 5.916) 12.072 3.136 ( -15.630 0.000 16.457) 22.696 3.303 ( -2.606 0.000 0.916) 2.762 3.321 ( -6.308 0.000 -7.313) 9.657 3.494 ( 3.431 -0.000 -0.728) 3.507 3.696 ( -2.920 0.000 6.042) 6.711 3.817 ( -4.268 0.000 4.517) 6.214 3.885 ( -1.084 0.000 -10.208) 10.266 4.002 ( -4.869 0.000 -10.481) 11.556 4.066 ( -4.013 0.000 9.035) 9.886 4.118 ( 1.162 -0.000 7.976) 8.060 4.274 ( -4.552 0.000 -9.514) 10.547 4.303 ( 1.243 -0.000 7.304) 7.409 4.751 ( 8.128 -0.000 6.158) 10.197 4.763 ( -2.801 0.000 -12.479) 12.789 4.909 ( 8.027 -0.000 3.653) 8.819 4.964 ( 8.118 -0.000 -2.902) 8.621 5.180 ( -3.156 0.000 -0.886) 3.278 5.250 ( -1.197 0.000 -6.628) 6.735 5.432 ( -0.073 0.000 4.239) 4.240 5.475 ( -0.684 0.000 -5.330) 5.374 5.671 ( 3.731 -0.000 -2.708) 4.610 5.692 ( 4.242 -0.000 0.859) 4.328 5.789 ( -3.861 0.000 -7.665) 8.582 5.900 ( 11.475 -0.000 4.876) 12.468 6.171 ( 2.956 -0.000 2.064) 3.605 6.177 ( -0.975 0.000 -3.339) 3.479 6.567 ( 3.664 -0.000 6.903) 7.816 6.692 ( 0.783 -0.000 -8.757) 8.792 6.977 ( -8.525 0.000 7.048) 11.061 7.197 ( 1.338 -0.000 -2.340) 2.696 7.254 ( -4.914 0.000 -0.678) 4.961 7.310 ( 3.708 -0.000 11.299) 11.892 7.412 ( 14.731 -0.000 10.337) 17.996 7.423 ( -3.314 0.000 -12.256) 12.696 7.542 ( -3.477 0.000 -1.425) 3.758 7.613 ( 6.386 -0.000 3.880) 7.472 7.761 ( 0.661 -0.000 -2.359) 2.450 7.803 ( 1.978 -0.000 -2.064) 2.859 8.496 ( -4.369 0.000 1.797) 4.724 8.582 ( -0.459 0.000 -3.104) 3.138 8.684 ( -3.335 0.000 -3.747) 5.016 8.724 ( 5.514 -0.000 3.884) 6.744 8.959 ( -4.774 0.000 2.133) 5.229 9.017 ( -2.026 0.000 -0.060) 2.027 9.520 ( -11.105 0.000 -4.353) 11.927 9.659 ( 6.798 -0.000 5.693) 8.867 10.372 ( -4.447 0.000 -4.996) 6.689 10.379 ( 2.974 -0.000 5.392) 6.158 10.896 ( -7.397 0.000 3.423) 8.151 11.112 ( 0.742 -0.000 -3.845) 3.915 11.125 ( -0.182 0.000 -2.044) 2.053 11.156 ( 1.879 -0.000 3.209) 3.718 11.863 ( 9.413 -0.000 14.185) 17.024 11.932 ( -3.025 0.000 -12.481) 12.842 12.044 ( -12.291 0.000 -10.399) 16.100 12.069 ( 0.569 -0.000 1.738) 1.829 12.133 ( -1.440 0.000 -0.738) 1.618 12.249 ( 7.579 -0.000 3.443) 8.324 13.215 ( 17.341 -0.000 19.455) 26.062 13.266 ( -8.264 0.000 -22.508) 23.978 13.729 ( -0.407 0.000 2.783) 2.812 13.807 ( -0.501 0.000 -6.562) 6.581 14.187 ( -5.364 0.000 1.134) 5.483 14.301 ( 4.460 -0.000 2.783) 5.257 14.519 ( -3.007 0.000 -6.830) 7.462 14.548 ( 6.455 -0.000 4.561) 7.904 14.871 ( 0.271 -0.000 6.709) 6.714 14.872 ( -7.564 0.000 -5.823) 9.546 15.447 ( 4.451 -0.000 5.752) 7.272 15.448 ( -3.527 0.000 -4.326) 5.581 16.351 ( -0.945 0.000 3.636) 3.757 16.363 ( -2.827 0.000 -0.872) 2.958 19.936 ( -2.516 0.000 -0.168) 2.521 19.977 ( 1.302 -0.000 0.482) 1.389 20.373 ( -3.006 0.000 -1.063) 3.189 20.412 ( 2.266 -0.000 1.763) 2.871 24.558 ( -1.802 0.000 2.725) 3.267 24.626 ( -0.071 0.000 -2.245) 2.246 24.950 ( -0.263 0.000 7.273) 7.278 25.016 ( -7.032 0.000 -9.529) 11.842 25.903 ( -2.161 0.000 3.359) 3.994 26.115 ( 6.044 -0.000 -5.164) 7.950 26.587 ( -4.349 0.000 -6.733) 8.015 26.701 ( 12.438 -0.000 7.286) 14.415 27.025 ( -1.673 0.000 -1.046) 1.973 27.043 ( 0.938 -0.000 0.909) 1.307 27.313 ( -5.949 0.000 -6.250) 8.629 27.332 ( 4.411 -0.000 7.828) 8.985 27.834 ( -1.242 0.000 1.111) 1.666 27.870 ( 1.369 -0.000 -0.121) 1.375 28.072 ( 0.993 -0.000 0.214) 1.016 28.100 ( 3.311 -0.000 -0.175) 3.316 28.726 ( -3.414 0.000 2.897) 4.477 28.840 ( 3.269 -0.000 0.126) 3.271 29.535 ( -11.251 0.000 0.960) 11.292 29.813 ( 5.706 -0.000 -5.759) 8.107 ======================= Grid point 274 (133/141) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -9.388 1.359 9.847) 13.673 1.427 ( -15.526 -4.018 -3.598) 16.436 1.520 ( -4.943 -3.090 1.024) 5.918 1.673 ( -0.526 -14.004 7.086) 15.703 1.925 ( 0.803 -5.063 -6.540) 8.310 2.051 ( -5.913 -3.147 -7.769) 10.258 2.310 ( -3.910 0.154 -3.856) 5.494 2.477 ( 6.487 -5.898 0.008) 8.768 2.552 ( -1.596 1.154 -2.706) 3.347 2.688 ( 3.383 -1.020 -0.907) 3.648 2.822 ( 3.496 1.411 5.579) 6.733 3.014 ( 9.875 -2.328 4.339) 11.035 3.115 ( -9.907 -6.594 10.624) 15.953 3.233 ( -6.975 3.465 2.321) 8.127 3.268 ( -5.971 1.213 -5.072) 7.928 3.512 ( 3.339 0.583 1.075) 3.556 3.612 ( -3.325 4.828 3.200) 6.679 3.742 ( -6.733 3.161 0.700) 7.471 3.840 ( -1.233 2.859 -7.930) 8.520 3.990 ( -4.790 -2.879 -0.939) 5.667 4.099 ( -1.588 -1.236 5.966) 6.296 4.177 ( -0.337 -4.971 0.081) 4.983 4.259 ( -2.869 -2.956 -3.626) 5.488 4.379 ( -2.156 -6.302 3.972) 7.755 4.722 ( -3.394 2.225 -7.569) 8.588 4.796 ( 4.378 -0.011 1.028) 4.497 4.910 ( 8.558 5.277 -0.074) 10.054 5.036 ( 10.378 -1.080 2.081) 10.639 5.106 ( -2.085 4.241 -1.945) 5.110 5.240 ( -7.500 2.933 -0.525) 8.070 5.383 ( 1.145 1.255 -6.407) 6.628 5.461 ( 2.228 1.924 2.974) 4.185 5.679 ( 3.954 0.276 -6.077) 7.256 5.719 ( 5.981 2.094 -2.181) 6.701 5.834 ( 1.056 -4.633 -7.763) 9.102 5.922 ( 9.401 3.481 7.049) 12.255 6.114 ( -0.347 4.329 -2.171) 4.856 6.244 ( 5.686 -2.523 3.664) 7.219 6.550 ( 2.136 4.111 4.608) 6.534 6.669 ( 1.891 3.215 -5.682) 6.797 6.896 ( -8.402 3.195 7.068) 11.435 7.109 ( -6.344 6.672 -1.514) 9.331 7.183 ( 0.652 2.403 -2.045) 3.222 7.338 ( 0.764 1.157 -0.722) 1.563 7.385 ( 5.632 -1.259 1.378) 5.933 7.467 ( 9.557 7.059 3.004) 12.255 7.531 ( -1.318 -0.295 1.877) 2.312 7.638 ( 4.335 -1.813 3.204) 5.687 7.787 ( -1.131 -4.321 -1.877) 4.845 7.951 ( 7.992 -5.187 1.193) 9.602 8.329 ( -3.442 9.957 2.648) 10.862 8.454 ( 1.147 9.044 -5.925) 10.873 8.655 ( -4.503 4.810 -0.952) 6.657 8.727 ( 0.018 4.492 1.121) 4.630 8.922 ( -3.527 -0.007 0.075) 3.528 8.950 ( -4.125 3.660 -0.239) 5.520 9.519 ( -8.252 -6.503 -2.436) 10.785 9.725 ( 4.063 -3.354 3.698) 6.437 10.385 ( -4.671 -3.751 -4.358) 7.408 10.453 ( 2.316 -4.900 4.781) 7.227 10.935 ( -6.044 -7.194 4.059) 10.235 11.100 ( -5.760 -2.015 -3.920) 7.252 11.176 ( 2.166 -2.968 2.462) 4.423 11.261 ( 4.819 -8.477 0.235) 9.754 11.882 ( -3.167 0.047 -6.761) 7.466 11.943 ( -3.938 0.696 -3.963) 5.630 12.038 ( 1.750 -6.206 0.944) 6.517 12.083 ( 0.544 -1.847 2.785) 3.385 12.124 ( -0.724 0.186 -0.999) 1.248 12.324 ( 6.041 -2.823 1.769) 6.899 13.196 ( -7.299 1.435 -18.851) 20.266 13.325 ( 19.092 1.325 18.968) 26.945 13.721 ( -0.705 0.638 2.676) 2.840 13.794 ( 0.067 0.721 -5.212) 5.262 14.112 ( -2.720 4.300 2.627) 5.726 14.270 ( 3.325 5.464 0.682) 6.433 14.484 ( -3.025 1.232 -5.469) 6.370 14.589 ( 5.962 0.822 4.988) 7.817 14.762 ( -5.863 4.758 0.804) 7.593 14.843 ( -2.417 2.918 -0.603) 3.837 15.321 ( -5.820 8.324 -6.140) 11.869 15.439 ( 6.323 4.498 6.568) 10.166 16.352 ( -3.981 -1.519 2.277) 4.832 16.398 ( -1.644 -3.637 0.255) 3.999 19.972 ( -2.074 -4.595 -1.074) 5.155 20.027 ( 1.299 -4.118 0.921) 4.415 20.341 ( -2.723 1.392 -0.834) 3.170 20.416 ( 2.108 0.802 1.352) 2.629 24.536 ( -2.037 1.169 2.582) 3.491 24.614 ( -0.211 1.014 -1.853) 2.123 24.925 ( -4.280 2.359 1.479) 5.106 24.936 ( -5.889 2.371 -3.553) 7.275 25.915 ( -1.044 -2.047 2.989) 3.770 26.150 ( 4.349 -0.342 -4.464) 6.241 26.560 ( 0.651 0.689 -7.624) 7.683 26.654 ( 8.216 8.046 8.880) 14.529 27.046 ( -3.017 -2.826 -0.973) 4.247 27.146 ( 1.289 -6.170 -0.479) 6.322 27.230 ( -3.687 3.011 1.506) 4.993 27.372 ( 3.587 0.208 0.632) 3.648 27.918 ( -0.918 -6.783 -0.159) 6.846 27.930 ( -0.239 -6.717 1.340) 6.853 28.171 ( 3.311 -7.476 1.093) 8.249 28.217 ( 4.820 -9.162 -0.578) 10.369 28.676 ( -3.269 2.915 2.558) 5.072 28.844 ( 4.391 1.304 0.508) 4.608 29.418 ( -11.554 4.259 0.341) 12.319 29.777 ( 3.793 5.609 -6.340) 9.275 ======================= Grid point 275 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.297 -9.445 7.707) 12.194 1.413 ( -2.886 0.231 -5.840) 6.518 1.648 ( -8.838 -14.074 7.995) 18.442 1.930 ( -8.861 -3.371 0.572) 9.498 1.975 ( -3.738 -12.385 1.930) 13.080 2.149 ( -4.728 -7.058 -7.514) 11.341 2.288 ( -6.196 -2.003 -1.150) 6.612 2.490 ( 0.999 3.581 -1.355) 3.957 2.615 ( 1.418 -3.331 0.678) 3.683 2.713 ( 4.050 -1.630 -3.434) 5.554 2.874 ( 6.869 -2.582 5.756) 9.327 3.051 ( 1.024 1.444 -3.175) 3.635 3.128 ( -6.413 -3.691 -0.927) 7.457 3.216 ( -3.136 -0.154 -0.857) 3.255 3.312 ( 2.248 -7.327 9.950) 12.560 3.479 ( -3.072 2.910 -0.992) 4.346 3.522 ( -1.980 1.637 -2.820) 3.815 3.659 ( -1.983 2.648 4.285) 5.414 3.776 ( -0.668 1.808 -3.708) 4.179 4.021 ( -5.030 -1.997 -1.967) 5.758 4.080 ( -2.383 2.135 2.176) 3.869 4.228 ( -0.488 -0.965 -4.640) 4.765 4.359 ( -3.241 -6.144 0.111) 6.947 4.490 ( -7.435 -4.348 3.513) 9.302 4.615 ( -2.973 2.607 0.925) 4.062 4.805 ( 6.438 3.059 -1.721) 7.333 4.847 ( 7.606 5.477 4.734) 10.500 5.005 ( -1.886 7.269 -1.301) 7.621 5.070 ( 2.228 3.739 -0.717) 4.411 5.115 ( 5.854 0.425 0.483) 5.889 5.390 ( 2.244 2.955 -3.825) 5.329 5.441 ( -5.544 0.525 0.725) 5.616 5.615 ( 9.193 6.485 -4.159) 11.994 5.694 ( -0.615 1.969 -4.399) 4.859 5.905 ( 4.918 3.677 -2.259) 6.543 5.929 ( 3.838 0.876 1.438) 4.191 6.016 ( -1.310 2.164 -3.884) 4.635 6.312 ( 6.595 0.521 4.203) 7.838 6.450 ( -1.968 4.167 2.205) 5.109 6.592 ( 3.531 4.527 2.027) 6.089 6.816 ( -2.088 1.064 7.379) 7.742 7.023 ( -4.526 0.596 -6.814) 8.202 7.131 ( 1.576 3.640 -0.587) 4.010 7.252 ( -0.372 7.200 3.338) 7.945 7.323 ( 4.698 4.118 -2.585) 6.761 7.506 ( 1.157 1.971 2.456) 3.355 7.569 ( 5.853 -5.175 3.006) 8.371 7.673 ( 7.241 4.433 4.965) 9.835 7.810 ( -2.247 2.333 -4.096) 5.222 7.995 ( 0.043 2.505 1.333) 2.838 8.113 ( -4.529 7.084 -0.016) 8.408 8.391 ( 7.193 3.619 -4.298) 9.128 8.443 ( -6.093 5.385 0.238) 8.135 8.635 ( 4.002 5.798 1.047) 7.122 8.830 ( -8.268 4.295 -3.396) 9.917 8.911 ( -3.873 -0.183 -1.205) 4.061 9.649 ( -3.989 -9.742 -0.337) 10.532 9.848 ( 1.509 -7.299 1.487) 7.600 10.427 ( -5.088 -3.336 -4.670) 7.670 10.575 ( 2.149 -5.705 5.387) 8.135 11.068 ( -4.485 -8.547 3.764) 10.360 11.130 ( -6.482 -4.960 -3.227) 8.777 11.272 ( 0.804 -5.418 2.903) 6.199 11.492 ( 6.577 -10.672 1.066) 12.581 11.873 ( -6.420 1.040 -3.387) 7.333 11.876 ( -4.034 -0.840 -9.002) 9.900 12.093 ( 0.680 -0.928 -1.778) 2.117 12.120 ( -0.246 -0.189 -0.879) 0.932 12.263 ( 7.820 -9.281 9.244) 15.256 12.394 ( 4.071 -0.328 0.513) 4.117 13.115 ( -5.549 1.670 -10.901) 12.345 13.393 ( 15.602 3.622 14.848) 21.841 13.701 ( -0.695 0.899 2.537) 2.780 13.781 ( 1.436 0.973 -3.569) 3.969 14.013 ( -0.822 4.377 -1.691) 4.764 14.173 ( 3.193 5.020 2.166) 6.332 14.417 ( -4.814 3.270 -6.144) 8.463 14.563 ( 0.498 3.872 5.203) 6.505 14.670 ( 0.605 2.699 3.724) 4.639 14.759 ( -0.491 3.904 -2.753) 4.802 15.102 ( -7.533 8.557 -9.409) 14.781 15.367 ( 6.454 6.941 7.360) 12.000 16.354 ( -5.475 -1.508 1.727) 5.936 16.451 ( -1.837 -2.402 -0.198) 3.030 20.063 ( -1.156 -5.215 -2.377) 5.846 20.137 ( 1.414 -5.696 1.282) 6.007 20.295 ( -1.913 1.543 -0.414) 2.492 20.414 ( 2.078 0.632 0.889) 2.347 24.491 ( -2.120 2.160 1.972) 3.612 24.584 ( 0.006 1.790 -1.289) 2.205 24.813 ( -7.955 3.082 -5.331) 10.060 24.878 ( -2.540 2.313 4.177) 5.408 25.973 ( 0.059 -4.021 3.071) 5.060 26.181 ( 3.115 -1.091 -3.843) 5.066 26.510 ( 3.807 5.798 4.550) 8.295 26.626 ( 5.003 -0.641 -1.947) 5.406 27.066 ( -5.080 -1.140 -1.359) 5.381 27.145 ( -4.151 1.317 2.056) 4.816 27.269 ( 2.286 -3.125 3.919) 5.509 27.371 ( 3.286 0.965 -5.241) 6.261 28.025 ( -2.531 -6.846 -0.832) 7.346 28.143 ( -0.461 -12.364 0.687) 12.391 28.309 ( 0.276 -4.257 -0.770) 4.335 28.440 ( 3.352 -6.884 2.391) 8.022 28.601 ( -0.579 1.483 2.072) 2.613 28.876 ( 8.589 -0.825 1.453) 8.750 29.268 ( -9.704 3.451 1.421) 10.397 29.678 ( 3.495 5.387 -7.946) 10.216 ======================= Grid point 276 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.954 0.241 -4.008) 4.465 1.471 ( 2.410 -8.781 2.611) 9.472 1.842 ( -5.461 -4.356 0.669) 7.017 1.949 ( -5.661 -10.037 3.477) 12.037 2.180 ( -9.597 -6.646 -0.426) 11.681 2.206 ( -8.814 -9.114 1.002) 12.719 2.321 ( -5.039 -2.777 1.049) 5.848 2.448 ( 3.093 1.181 -0.460) 3.343 2.653 ( 3.022 -2.638 -0.806) 4.091 2.823 ( 3.848 -4.434 -2.471) 6.369 2.936 ( 7.827 2.262 2.938) 8.660 3.104 ( -10.393 -9.482 -2.637) 14.314 3.182 ( 5.643 -2.596 -0.576) 6.239 3.228 ( 3.428 -0.138 -1.684) 3.822 3.365 ( -6.049 1.591 2.094) 6.596 3.420 ( -2.225 -1.180 3.360) 4.199 3.538 ( -2.396 -2.131 -9.103) 9.651 3.611 ( 0.785 1.757 8.425) 8.642 3.813 ( 3.159 -4.855 -0.166) 5.794 3.941 ( -2.009 5.476 -7.419) 9.437 4.044 ( -5.618 0.060 -0.868) 5.685 4.185 ( -3.124 4.365 -1.702) 5.631 4.370 ( 0.883 4.279 -1.170) 4.523 4.428 ( 2.043 4.763 3.218) 6.100 4.639 ( -4.158 1.621 1.497) 4.707 4.656 ( 0.842 8.799 5.813) 10.580 4.850 ( 1.226 0.658 -2.799) 3.126 4.886 ( 6.149 2.996 4.988) 8.465 5.127 ( 6.641 -4.151 0.020) 7.831 5.142 ( 1.045 -1.696 -1.049) 2.252 5.184 ( 1.570 12.608 4.853) 13.601 5.461 ( -4.367 -4.060 -2.455) 6.448 5.600 ( 5.081 1.858 -4.312) 6.919 5.635 ( -4.252 3.021 -2.600) 5.828 5.754 ( 2.474 8.051 -4.266) 9.441 5.881 ( 0.887 4.960 -1.944) 5.401 5.979 ( -3.014 4.259 3.441) 6.250 6.322 ( 2.951 1.280 -1.554) 3.572 6.440 ( 4.023 -1.875 5.591) 7.138 6.565 ( 1.727 -0.367 2.541) 3.094 6.823 ( 2.763 -0.991 5.888) 6.579 6.959 ( -1.260 3.450 -5.408) 6.537 7.057 ( 2.563 4.881 -3.526) 6.544 7.088 ( -6.205 7.099 1.744) 9.588 7.317 ( 5.210 3.594 0.509) 6.349 7.449 ( -1.302 5.128 0.238) 5.296 7.517 ( -0.119 7.818 1.154) 7.904 7.650 ( 6.501 -1.787 6.541) 9.393 7.710 ( -5.659 10.189 0.030) 11.655 7.942 ( 2.276 -6.238 -6.810) 9.511 8.131 ( 0.266 -2.678 2.843) 3.915 8.212 ( -0.278 6.470 -4.152) 7.693 8.505 ( 3.427 1.256 -3.112) 4.797 8.577 ( 5.749 0.213 8.113) 9.945 8.687 ( -9.439 4.162 -6.490) 12.187 8.878 ( -4.343 0.787 -1.125) 4.554 9.828 ( -1.397 -9.858 0.279) 9.961 10.015 ( -0.039 -8.762 0.319) 8.768 10.450 ( -3.233 -1.949 -3.786) 5.347 10.698 ( 2.276 -4.929 5.385) 7.647 11.181 ( -4.768 -5.635 -1.869) 7.614 11.224 ( -4.700 -8.042 1.993) 9.526 11.375 ( -1.267 -4.601 1.331) 4.954 11.729 ( 7.690 -8.463 2.486) 11.702 11.788 ( -2.626 3.266 -1.971) 4.631 11.888 ( -4.602 -1.994 -6.451) 8.171 12.108 ( -0.227 -0.685 -1.293) 1.481 12.124 ( 0.984 0.338 -0.307) 1.084 12.359 ( 1.964 4.392 0.350) 4.823 12.491 ( 5.046 -8.114 7.249) 11.994 13.072 ( -2.100 0.031 -4.880) 5.313 13.371 ( 4.844 5.172 5.113) 8.738 13.689 ( 1.499 0.755 3.393) 3.786 13.759 ( 1.744 2.252 -1.925) 3.438 13.949 ( 2.439 2.183 -2.682) 4.232 14.144 ( 3.361 0.422 4.100) 5.318 14.296 ( -5.811 5.002 -6.059) 9.772 14.496 ( -1.681 2.239 2.983) 4.091 14.636 ( 3.798 2.841 2.952) 5.587 14.706 ( 2.138 1.907 -0.449) 2.900 14.919 ( -6.138 4.769 -9.871) 12.564 15.250 ( 3.278 8.424 5.611) 10.639 16.354 ( -4.324 -1.649 1.315) 4.811 16.465 ( -2.060 -0.438 -0.494) 2.163 20.144 ( -0.503 -3.488 -2.052) 4.078 20.245 ( -0.914 -4.301 -0.743) 4.460 20.266 ( 1.029 0.554 1.471) 1.878 20.418 ( 1.527 0.145 0.563) 1.634 24.439 ( -1.255 1.871 1.015) 2.471 24.547 ( 0.063 1.928 -0.987) 2.167 24.725 ( -5.328 1.453 -2.711) 6.153 24.822 ( -2.607 1.806 2.441) 4.001 26.072 ( 0.923 -5.507 3.512) 6.596 26.234 ( 3.424 -2.508 -3.655) 5.601 26.424 ( 1.601 4.931 7.100) 8.791 26.656 ( 3.751 1.137 -4.531) 5.991 27.033 ( -3.700 1.033 0.510) 3.875 27.099 ( -3.418 1.606 -0.052) 3.777 27.316 ( 1.165 -1.338 4.904) 5.215 27.407 ( 2.098 -2.730 -7.189) 7.971 28.145 ( -1.452 -6.185 0.119) 6.355 28.288 ( 1.747 0.846 -0.471) 1.997 28.389 ( -4.151 -3.198 -1.318) 5.403 28.455 ( -5.804 -5.147 -1.528) 7.907 28.679 ( 5.362 -3.191 6.955) 9.344 28.943 ( 7.751 0.231 -0.326) 7.761 29.211 ( -4.966 -2.555 5.101) 7.563 29.621 ( 3.810 2.518 -8.907) 10.009 ======================= Grid point 284 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -16.207 0.000 13.658) 21.195 1.180 ( -25.133 0.000 1.406) 25.173 1.512 ( 4.590 -0.000 16.458) 17.086 1.520 ( -1.454 0.000 -11.865) 11.954 1.865 ( -2.180 0.000 -13.795) 13.966 1.950 ( -12.978 0.000 -6.421) 14.479 2.306 ( -3.021 0.000 -7.116) 7.731 2.477 ( 14.820 -0.000 5.875) 15.943 2.578 ( 3.608 -0.000 -1.732) 4.002 2.679 ( -1.250 0.000 -1.444) 1.910 2.852 ( -7.589 0.000 14.696) 16.539 2.989 ( -3.247 0.000 9.976) 10.492 3.042 ( 10.607 -0.000 5.085) 11.763 3.228 ( -8.930 0.000 0.761) 8.962 3.249 ( -3.447 0.000 -4.232) 5.458 3.530 ( 1.489 -0.000 2.166) 2.628 3.636 ( -8.074 0.000 -4.681) 9.333 3.719 ( -10.101 0.000 0.985) 10.149 3.873 ( 0.566 -0.000 -11.966) 11.979 3.930 ( -4.956 0.000 -6.232) 7.962 4.071 ( 2.718 -0.000 7.170) 7.668 4.128 ( -0.702 0.000 7.747) 7.779 4.218 ( -3.716 0.000 -9.673) 10.362 4.312 ( 0.178 -0.000 6.749) 6.752 4.739 ( 0.604 -0.000 -10.848) 10.865 4.782 ( -1.834 0.000 -1.190) 2.186 5.005 ( 6.566 -0.000 4.513) 7.967 5.097 ( 10.833 -0.000 2.333) 11.082 5.135 ( -3.895 0.000 -1.533) 4.186 5.232 ( -0.865 0.000 -3.388) 3.497 5.432 ( -0.464 0.000 4.967) 4.989 5.468 ( 0.963 -0.000 -11.508) 11.548 5.710 ( 3.765 -0.000 -3.386) 5.064 5.755 ( 5.518 -0.000 0.611) 5.552 5.815 ( 8.515 -0.000 -3.467) 9.194 6.027 ( 8.660 -0.000 5.442) 10.228 6.176 ( 0.627 -0.000 -0.983) 1.166 6.218 ( 4.138 -0.000 3.633) 5.507 6.630 ( 5.519 -0.000 3.399) 6.481 6.689 ( -0.069 0.000 -10.547) 10.547 6.878 ( -7.522 0.000 5.868) 9.540 7.208 ( -2.512 0.000 -0.701) 2.608 7.212 ( 1.364 -0.000 -1.738) 2.209 7.326 ( -0.995 0.000 4.462) 4.571 7.378 ( -2.185 0.000 -9.024) 9.284 7.537 ( 2.089 -0.000 2.088) 2.954 7.584 ( 6.849 -0.000 13.015) 14.707 7.703 ( 10.214 -0.000 3.056) 10.662 7.809 ( 8.165 -0.000 -3.340) 8.822 7.823 ( 1.759 -0.000 -1.451) 2.280 8.421 ( -7.778 0.000 -0.627) 7.803 8.561 ( -1.738 0.000 -4.217) 4.561 8.644 ( -3.303 0.000 -3.397) 4.738 8.807 ( 7.225 -0.000 5.097) 8.842 8.895 ( -5.936 0.000 2.527) 6.451 8.969 ( -6.124 0.000 -0.860) 6.184 9.379 ( -11.253 0.000 -4.236) 12.024 9.719 ( 2.141 -0.000 3.597) 4.186 10.317 ( -3.796 0.000 -4.248) 5.696 10.411 ( 1.527 -0.000 4.912) 5.144 10.827 ( -4.564 0.000 5.307) 6.999 11.049 ( -5.086 0.000 -3.736) 6.311 11.168 ( -0.222 0.000 2.987) 2.995 11.176 ( 3.407 -0.000 -1.463) 3.708 11.867 ( -7.052 0.000 -11.503) 13.493 11.924 ( -2.208 0.000 -7.523) 7.840 11.992 ( 9.820 -0.000 12.736) 16.082 12.070 ( -0.298 0.000 1.316) 1.350 12.128 ( 0.097 -0.000 -0.526) 0.535 12.307 ( 1.774 -0.000 0.891) 1.985 13.158 ( -6.957 0.000 -19.012) 20.245 13.471 ( 20.446 -0.000 17.888) 27.166 13.727 ( -0.071 0.000 4.163) 4.164 13.798 ( -0.103 0.000 -5.228) 5.229 14.143 ( -2.191 0.000 3.500) 4.129 14.336 ( 0.100 -0.000 0.792) 0.798 14.498 ( 0.585 -0.000 -5.715) 5.745 14.635 ( 7.427 -0.000 4.526) 8.698 14.774 ( -6.455 0.000 -3.767) 7.473 14.853 ( -3.970 0.000 5.282) 6.608 15.400 ( -4.143 0.000 -2.326) 4.751 15.502 ( 3.398 -0.000 4.134) 5.351 16.325 ( -3.404 0.000 -0.730) 3.482 16.330 ( -3.062 0.000 3.602) 4.728 19.906 ( -2.460 0.000 0.270) 2.475 19.987 ( 0.194 -0.000 -0.166) 0.256 20.341 ( -2.086 0.000 -0.171) 2.093 20.434 ( 1.177 -0.000 0.847) 1.450 24.537 ( -1.963 0.000 2.607) 3.263 24.620 ( -0.386 0.000 -1.620) 1.665 24.904 ( -10.019 0.000 -8.874) 13.384 24.934 ( -3.374 0.000 6.212) 7.069 25.893 ( -0.034 0.000 2.494) 2.494 26.165 ( 2.266 -0.000 -3.781) 4.408 26.566 ( 2.350 -0.000 -8.798) 9.107 26.869 ( 13.981 -0.000 6.028) 15.225 27.004 ( -1.447 0.000 -1.557) 2.125 27.049 ( -0.060 0.000 0.440) 0.444 27.240 ( -5.134 0.000 -4.706) 6.965 27.387 ( 3.193 -0.000 9.268) 9.803 27.823 ( -0.668 0.000 2.520) 2.607 27.893 ( 2.399 -0.000 0.716) 2.504 28.097 ( 3.200 -0.000 0.936) 3.334 28.153 ( 5.414 -0.000 0.046) 5.414 28.686 ( -3.633 0.000 2.136) 4.215 28.880 ( 3.227 -0.000 1.382) 3.510 29.384 ( -13.270 0.000 -1.799) 13.392 29.848 ( 0.697 -0.000 -7.257) 7.290 ======================= Grid point 285 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -9.102 -6.022 12.776) 16.803 1.224 ( -13.877 -10.567 10.062) 20.137 1.505 ( -0.636 -0.508 -6.735) 6.784 1.681 ( -0.029 -12.249 10.800) 16.330 1.855 ( -10.698 -1.375 -7.382) 13.071 1.949 ( -8.450 -8.163 -13.094) 17.593 2.277 ( 1.885 1.994 -0.818) 2.864 2.562 ( 0.768 2.743 -2.837) 4.020 2.585 ( 8.831 -1.764 3.181) 9.551 2.680 ( -4.951 -2.544 0.709) 5.612 2.842 ( -0.986 -3.548 13.578) 14.068 2.989 ( -7.299 -0.364 1.431) 7.447 3.108 ( 0.574 0.308 -1.608) 1.735 3.201 ( 2.998 -1.878 3.079) 4.690 3.238 ( 1.906 -1.520 4.715) 5.308 3.495 ( -6.229 2.645 -0.381) 6.778 3.542 ( -8.305 2.451 -6.593) 10.883 3.680 ( -2.908 -0.371 -1.432) 3.262 3.833 ( 1.041 2.999 -7.332) 7.990 3.940 ( -3.096 -2.343 -1.842) 4.298 4.078 ( -2.762 -0.780 3.424) 4.468 4.159 ( -2.915 -1.834 0.009) 3.444 4.230 ( -1.450 -4.260 -2.742) 5.269 4.366 ( -0.370 -3.875 5.123) 6.434 4.676 ( -3.224 4.129 -5.644) 7.701 4.821 ( 1.576 -2.784 -5.137) 6.052 5.012 ( 6.771 6.368 2.736) 9.690 5.053 ( -2.943 -0.254 2.268) 3.724 5.164 ( 2.170 4.197 0.835) 4.798 5.196 ( 4.265 1.301 -1.719) 4.779 5.387 ( 0.608 0.843 -2.724) 2.916 5.483 ( 0.832 1.674 -1.495) 2.394 5.725 ( 5.486 1.098 -3.404) 6.548 5.801 ( 6.817 2.473 -2.637) 7.716 5.877 ( 6.528 -3.392 -4.647) 8.702 6.018 ( 5.107 4.998 6.209) 9.466 6.132 ( 3.427 4.858 -2.953) 6.639 6.307 ( 3.894 -4.157 5.348) 7.813 6.565 ( -1.269 7.886 -0.625) 8.011 6.690 ( 2.089 1.551 -3.692) 4.516 6.828 ( -3.048 1.369 8.263) 8.913 7.036 ( -4.834 7.585 -1.971) 9.208 7.186 ( 0.134 2.151 -0.161) 2.162 7.351 ( 2.081 -2.704 -2.319) 4.125 7.453 ( 5.237 -0.225 0.022) 5.242 7.523 ( -0.914 -1.318 3.830) 4.153 7.571 ( 8.044 11.454 0.195) 13.997 7.673 ( 0.430 -3.120 1.975) 3.718 7.834 ( 7.963 -3.658 6.199) 10.733 8.046 ( 7.007 -2.814 -2.198) 7.865 8.267 ( -7.049 8.230 0.244) 10.839 8.452 ( -0.915 7.340 -8.203) 11.046 8.598 ( -4.935 6.428 -0.851) 8.148 8.728 ( 0.353 3.555 1.050) 3.724 8.867 ( -8.418 4.223 -2.159) 9.662 8.889 ( -2.934 1.257 -0.171) 3.197 9.429 ( -6.105 -9.571 -1.155) 11.411 9.750 ( -0.699 -3.007 1.558) 3.458 10.331 ( -3.148 -3.231 -3.662) 5.810 10.473 ( 0.217 -4.875 4.001) 6.311 10.884 ( -3.023 -7.144 5.927) 9.763 11.036 ( -3.972 -1.736 -2.867) 5.197 11.190 ( -0.279 -3.083 2.220) 3.809 11.301 ( 1.362 -9.785 -1.206) 9.952 11.835 ( -0.026 -0.276 -2.655) 2.669 11.896 ( 0.146 1.929 -7.228) 7.483 12.080 ( 1.165 -0.947 -0.723) 1.666 12.118 ( -0.042 0.216 0.024) 0.222 12.140 ( 7.325 -7.289 10.673) 14.855 12.364 ( 1.045 -3.922 -0.597) 4.103 13.099 ( -6.558 0.884 -13.785) 15.291 13.557 ( 12.134 2.895 10.713) 16.444 13.729 ( 4.193 0.995 7.981) 9.070 13.797 ( 1.418 0.009 -3.763) 4.022 14.097 ( -0.022 3.677 2.795) 4.619 14.283 ( -1.521 4.527 -1.763) 5.091 14.455 ( -1.564 3.121 -5.296) 6.343 14.662 ( 3.319 4.596 5.772) 8.090 14.707 ( -0.532 1.032 2.271) 2.551 14.813 ( -1.647 1.909 0.240) 2.533 15.246 ( -5.929 9.947 -4.797) 12.534 15.502 ( 2.732 3.053 4.494) 6.081 16.298 ( -5.098 -0.680 2.588) 5.757 16.371 ( -2.883 -3.968 -0.235) 4.911 19.950 ( -1.290 -5.075 -1.223) 5.377 20.034 ( -0.330 -4.612 -0.138) 4.626 20.317 ( -0.905 1.280 0.676) 1.707 20.435 ( 0.856 0.450 0.232) 0.994 24.514 ( -1.825 1.255 2.380) 3.251 24.609 ( -0.184 0.889 -1.245) 1.541 24.811 ( -10.023 2.340 -6.582) 12.217 24.897 ( -4.435 1.465 4.738) 6.653 25.916 ( 0.681 -2.033 2.676) 3.429 26.173 ( -0.084 -0.467 -3.980) 4.008 26.599 ( 6.909 -0.973 -8.934) 11.335 26.761 ( 7.757 11.437 9.530) 16.786 27.009 ( -2.800 -1.562 -1.681) 3.620 27.123 ( -4.689 -1.396 -1.000) 4.994 27.221 ( 1.760 -2.338 3.169) 4.313 27.413 ( 2.643 0.541 1.136) 2.927 27.910 ( -0.541 -6.942 0.529) 6.983 27.927 ( -0.268 -3.953 0.980) 4.081 28.234 ( 6.638 -6.953 3.170) 10.122 28.283 ( 6.355 -9.916 -0.749) 11.801 28.638 ( -3.309 2.457 1.531) 4.397 28.904 ( 4.953 -0.770 3.373) 6.041 29.271 ( -11.981 3.100 -2.999) 12.733 29.787 ( -1.518 4.659 -8.621) 9.916 ======================= Grid point 286 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.890 -11.482 9.485) 15.013 1.370 ( -1.131 -5.543 -0.098) 5.657 1.593 ( -2.888 -12.070 5.876) 13.732 1.808 ( -8.689 -2.569 -2.617) 9.432 1.940 ( -3.368 -11.911 4.509) 13.174 2.028 ( -11.941 -4.971 -9.649) 16.138 2.272 ( 1.687 0.016 2.877) 3.335 2.512 ( 1.722 2.375 -1.740) 3.411 2.624 ( -0.113 -0.693 -0.435) 0.826 2.765 ( 3.929 -5.989 1.705) 7.363 2.899 ( -7.129 -1.565 0.467) 7.313 2.990 ( 2.582 -5.365 6.815) 9.049 3.169 ( 4.958 -2.387 -2.899) 6.219 3.201 ( 0.830 -0.966 0.223) 1.293 3.353 ( 2.443 -4.096 9.932) 11.018 3.387 ( -8.470 3.124 -2.063) 9.260 3.477 ( -4.730 -0.834 -7.689) 9.065 3.658 ( -0.193 2.023 0.524) 2.099 3.796 ( 3.653 0.845 -2.088) 4.292 3.953 ( -5.415 -1.210 -4.110) 6.905 4.045 ( -3.652 2.526 -1.128) 4.581 4.204 ( -3.884 -2.788 -2.679) 5.481 4.300 ( -5.512 -5.646 -4.870) 9.272 4.397 ( -7.353 -2.050 3.679) 8.474 4.605 ( 1.002 1.712 3.433) 3.965 4.855 ( -0.739 5.153 -2.312) 5.695 4.905 ( 4.595 2.801 0.975) 5.469 5.010 ( 4.072 5.120 2.069) 6.861 5.118 ( 4.872 0.078 -0.734) 4.927 5.193 ( 5.378 2.984 -1.775) 6.401 5.377 ( -2.603 -0.525 -0.553) 2.713 5.424 ( 1.239 6.718 0.539) 6.852 5.695 ( 1.919 5.335 0.410) 5.684 5.715 ( 7.726 6.475 -2.650) 10.423 5.965 ( 3.770 0.481 -5.214) 6.452 5.968 ( 2.546 8.254 3.798) 9.436 6.000 ( -1.186 3.081 -1.890) 3.804 6.350 ( -0.349 1.137 -2.420) 2.696 6.447 ( 1.517 0.694 6.069) 6.294 6.637 ( 3.016 4.491 2.590) 5.998 6.823 ( 1.687 -0.395 7.172) 7.378 6.961 ( -3.793 0.367 -6.120) 7.209 7.139 ( 0.196 2.709 2.338) 3.584 7.275 ( 4.054 11.763 0.628) 12.458 7.393 ( 6.002 1.896 -1.947) 6.588 7.524 ( 0.826 1.788 1.869) 2.715 7.618 ( 1.525 0.816 2.715) 3.219 7.723 ( 2.607 -5.981 -2.882) 7.132 7.845 ( 5.969 13.271 4.677) 15.285 7.972 ( -3.321 7.479 -0.750) 8.217 8.072 ( -1.251 0.382 1.558) 2.034 8.348 ( -7.839 8.247 -0.426) 11.386 8.465 ( 3.213 -3.157 -7.303) 8.581 8.695 ( 2.035 5.064 0.375) 5.471 8.708 ( -7.757 4.336 -4.908) 10.152 8.854 ( -4.662 -0.097 -1.573) 4.921 9.614 ( -1.698 -11.052 0.480) 11.192 9.842 ( -2.703 -7.468 -0.042) 7.942 10.382 ( -1.481 -3.308 -3.006) 4.708 10.585 ( -1.349 -6.494 3.399) 7.453 11.036 ( -1.739 -8.814 5.942) 10.771 11.069 ( -2.667 -3.753 -1.778) 4.936 11.269 ( -1.562 -4.963 1.533) 5.424 11.528 ( -1.431 -12.101 -2.978) 12.544 11.845 ( 1.947 2.539 0.587) 3.253 11.876 ( 6.757 -0.520 -1.932) 7.048 12.095 ( -0.102 -0.107 -1.437) 1.445 12.129 ( 2.223 -0.782 -0.892) 2.520 12.344 ( 1.560 -8.662 7.272) 11.417 12.419 ( 2.179 -0.223 0.605) 2.272 13.053 ( -3.304 -0.192 -6.768) 7.534 13.494 ( -3.117 6.017 -0.408) 6.788 13.741 ( 6.106 1.936 7.392) 9.781 13.810 ( 4.246 1.138 0.637) 4.442 14.031 ( 5.006 3.535 -0.898) 6.194 14.189 ( -0.564 3.222 0.893) 3.391 14.365 ( -3.368 4.498 -4.934) 7.478 14.549 ( -2.533 4.757 3.665) 6.518 14.703 ( 2.726 1.926 6.395) 7.214 14.776 ( 5.464 2.695 -2.102) 6.445 15.014 ( -5.807 8.816 -7.643) 13.033 15.415 ( -0.007 6.722 3.767) 7.705 16.291 ( -4.712 -1.752 2.495) 5.613 16.420 ( -3.152 -2.594 -1.044) 4.213 20.054 ( 0.029 -5.370 -2.544) 5.942 20.137 ( -1.483 -5.701 -0.780) 5.942 20.292 ( 1.296 1.125 2.101) 2.713 20.431 ( 0.646 0.374 -0.263) 0.792 24.472 ( -1.137 2.024 1.747) 2.905 24.582 ( -0.191 1.712 -1.262) 2.135 24.716 ( -6.886 1.467 -3.106) 7.695 24.837 ( -4.644 1.790 2.817) 5.719 25.984 ( 1.205 -4.158 3.384) 5.494 26.194 ( -0.267 -2.256 -4.657) 5.181 26.582 ( 6.618 8.243 6.686) 12.508 26.688 ( 5.642 -0.341 -2.486) 6.175 27.012 ( -3.667 -0.686 -0.805) 3.816 27.093 ( -4.639 0.329 1.265) 4.819 27.290 ( 0.366 -2.407 5.411) 5.934 27.400 ( 2.406 1.074 -6.855) 7.344 28.004 ( -0.942 -6.359 -0.049) 6.428 28.117 ( -3.150 -12.593 -1.369) 13.053 28.330 ( 2.637 -0.201 0.400) 2.675 28.469 ( 0.701 0.003 1.768) 1.902 28.622 ( 4.145 -4.633 3.233) 7.007 28.992 ( 9.952 -2.432 5.879) 11.812 29.147 ( -10.075 1.503 -1.192) 10.256 29.688 ( -0.635 3.441 -11.423) 11.947 ======================= Grid point 295 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -9.817 0.000 16.728) 19.396 1.018 ( -11.601 0.000 19.252) 22.477 1.494 ( -1.255 0.000 -12.011) 12.076 1.560 ( 0.347 -0.000 17.565) 17.568 1.768 ( -9.201 0.000 -20.096) 22.102 1.785 ( -12.229 0.000 -4.945) 13.191 2.339 ( 7.638 -0.000 0.445) 7.651 2.533 ( -20.750 0.000 4.286) 21.188 2.636 ( 9.384 -0.000 3.827) 10.135 2.649 ( 9.130 -0.000 -1.626) 9.273 2.781 ( -1.604 0.000 10.954) 11.071 3.025 ( 2.169 -0.000 2.428) 3.256 3.057 ( -11.324 0.000 -1.080) 11.375 3.192 ( 5.308 -0.000 4.113) 6.715 3.254 ( 4.428 -0.000 2.625) 5.148 3.454 ( -15.957 0.000 -14.011) 21.235 3.552 ( -1.604 0.000 -2.025) 2.583 3.608 ( -7.632 0.000 -1.613) 7.801 3.878 ( 1.931 -0.000 -11.308) 11.472 3.887 ( -1.659 0.000 0.756) 1.823 4.115 ( -2.387 0.000 8.024) 8.371 4.123 ( 4.889 -0.000 3.187) 5.836 4.169 ( -3.012 0.000 -7.469) 8.053 4.332 ( 1.848 -0.000 5.485) 5.788 4.737 ( -4.083 0.000 -4.125) 5.804 4.761 ( 4.445 -0.000 -7.652) 8.850 5.019 ( -6.058 0.000 1.312) 6.198 5.136 ( 5.234 -0.000 2.529) 5.813 5.193 ( 3.596 -0.000 2.490) 4.374 5.213 ( -1.264 0.000 -2.154) 2.497 5.427 ( -1.238 0.000 3.826) 4.022 5.474 ( 1.237 -0.000 -10.781) 10.852 5.788 ( 9.164 -0.000 -2.952) 9.628 5.815 ( 3.919 -0.000 1.757) 4.294 5.943 ( 12.221 -0.000 -3.997) 12.858 6.121 ( 6.316 -0.000 4.241) 7.608 6.183 ( 0.598 -0.000 -0.128) 0.611 6.274 ( 4.440 -0.000 3.638) 5.740 6.670 ( -1.220 0.000 -11.663) 11.726 6.681 ( 1.438 -0.000 -0.776) 1.634 6.833 ( -0.740 0.000 9.066) 9.096 7.194 ( 0.248 -0.000 0.576) 0.627 7.217 ( -1.395 0.000 -2.039) 2.470 7.304 ( -2.131 0.000 2.842) 3.552 7.358 ( -0.405 0.000 -4.365) 4.384 7.586 ( 5.359 -0.000 3.391) 6.342 7.598 ( -3.123 0.000 3.465) 4.664 7.847 ( 2.684 -0.000 -0.699) 2.774 7.847 ( 9.956 -0.000 7.860) 12.685 7.931 ( 11.288 -0.000 -5.320) 12.478 8.317 ( -8.696 0.000 -2.859) 9.154 8.539 ( -1.767 0.000 -4.637) 4.962 8.594 ( -4.030 0.000 -3.727) 5.489 8.826 ( -5.631 0.000 2.410) 6.125 8.851 ( -10.483 0.000 -4.304) 11.332 8.899 ( 3.667 -0.000 2.800) 4.614 9.255 ( -7.907 0.000 -1.914) 8.136 9.711 ( -3.868 0.000 -0.001) 3.868 10.282 ( -1.090 0.000 -2.345) 2.586 10.421 ( -0.579 0.000 3.393) 3.442 10.797 ( -1.310 0.000 6.830) 6.955 10.998 ( -2.754 0.000 -2.870) 3.978 11.158 ( -1.735 0.000 2.608) 3.133 11.191 ( -0.378 0.000 -3.125) 3.147 11.861 ( 10.335 -0.000 5.030) 11.494 11.934 ( 4.156 -0.000 -7.868) 8.898 12.067 ( -0.477 0.000 2.616) 2.659 12.110 ( 6.881 -0.000 10.079) 12.204 12.130 ( 0.402 -0.000 -0.449) 0.603 12.308 ( -0.438 0.000 -0.369) 0.573 13.059 ( -7.172 0.000 -12.485) 14.398 13.621 ( -1.330 0.000 1.373) 1.911 13.801 ( 1.495 -0.000 -3.915) 4.190 13.806 ( 13.693 -0.000 15.609) 20.764 14.138 ( 0.488 -0.000 4.871) 4.896 14.311 ( -2.355 0.000 -3.836) 4.501 14.478 ( -4.722 0.000 -7.704) 9.036 14.720 ( 2.326 -0.000 4.892) 5.417 14.765 ( 6.231 -0.000 5.495) 8.308 14.808 ( -0.037 0.000 2.329) 2.329 15.339 ( -6.056 0.000 0.213) 6.059 15.523 ( -0.768 0.000 0.850) 1.146 16.282 ( -3.498 0.000 -0.519) 3.536 16.288 ( -4.205 0.000 2.699) 4.996 19.880 ( -1.766 0.000 0.732) 1.911 19.978 ( -1.637 0.000 -1.570) 2.268 20.328 ( -0.080 0.000 1.444) 1.446 20.441 ( -0.047 0.000 -0.390) 0.393 24.518 ( -1.385 0.000 2.290) 2.676 24.617 ( 0.062 -0.000 -0.894) 0.896 24.769 ( -10.613 0.000 -6.199) 12.291 24.883 ( -5.648 0.000 4.389) 7.153 25.905 ( 1.584 -0.000 2.350) 2.834 26.159 ( -2.411 0.000 -3.606) 4.338 26.626 ( 8.296 -0.000 -8.714) 12.031 26.966 ( -1.653 0.000 -0.859) 1.863 27.033 ( 5.212 -0.000 -0.101) 5.213 27.044 ( -0.792 0.000 0.017) 0.792 27.213 ( 5.009 -0.000 -0.754) 5.065 27.418 ( 0.459 -0.000 9.632) 9.643 27.826 ( 0.975 -0.000 3.913) 4.033 27.923 ( 2.113 -0.000 1.193) 2.427 28.154 ( 6.275 -0.000 2.416) 6.724 28.229 ( 6.896 -0.000 1.214) 7.002 28.642 ( -3.764 0.000 1.384) 4.010 28.908 ( -0.553 0.000 3.821) 3.861 29.235 ( -8.855 0.000 -6.027) 10.711 29.804 ( -7.376 0.000 -9.192) 11.786 ======================= Grid point 296 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.899 -9.583 19.012) 21.309 1.133 ( -3.295 -13.110 17.399) 22.033 1.482 ( -1.980 -1.013 -9.584) 9.839 1.667 ( -4.532 -7.810 8.478) 12.386 1.746 ( -3.926 -5.034 -1.504) 6.559 1.817 ( -10.438 -7.907 -15.492) 20.285 2.355 ( 8.939 3.845 4.396) 10.678 2.448 ( -15.324 -4.604 2.935) 16.268 2.650 ( 2.865 2.162 1.806) 4.018 2.711 ( 6.892 -0.596 2.273) 7.281 2.858 ( 1.604 -6.611 9.008) 11.288 2.901 ( -7.058 4.308 -0.195) 8.271 3.093 ( -2.632 -4.777 -3.947) 6.733 3.251 ( 3.625 0.119 0.797) 3.713 3.291 ( 1.589 -2.162 0.226) 2.692 3.370 ( -9.605 -1.410 -6.380) 11.617 3.461 ( -2.848 3.617 -1.061) 4.725 3.643 ( -3.415 -2.992 -3.603) 5.797 3.846 ( 1.519 2.203 -4.084) 4.882 3.912 ( -1.293 -1.195 -4.889) 5.197 4.047 ( -1.853 2.090 0.151) 2.797 4.114 ( -4.435 1.407 1.531) 4.898 4.222 ( 0.475 -3.416 -0.123) 3.451 4.357 ( -2.971 -0.222 2.986) 4.218 4.653 ( 1.402 2.872 -3.344) 4.626 4.854 ( 4.805 -3.431 -3.555) 6.892 4.981 ( -6.546 0.801 -1.294) 6.720 5.101 ( 4.361 3.685 4.581) 7.320 5.169 ( 0.489 2.414 -2.591) 3.575 5.256 ( 4.170 -0.291 1.986) 4.628 5.388 ( -0.651 1.675 0.149) 1.803 5.482 ( -0.512 0.523 -4.098) 4.163 5.806 ( 6.649 2.661 1.996) 7.434 5.871 ( 5.814 0.185 -4.737) 7.502 5.962 ( 7.739 1.655 -3.101) 8.500 6.059 ( 1.655 6.634 3.882) 7.862 6.174 ( 2.711 5.540 -2.639) 6.709 6.342 ( 0.648 -2.277 3.581) 4.293 6.520 ( -4.544 8.056 0.630) 9.270 6.700 ( -0.144 0.111 -6.036) 6.038 6.836 ( 2.362 0.410 9.617) 9.911 7.007 ( 0.255 6.602 -0.630) 6.637 7.193 ( 1.337 2.059 2.442) 3.463 7.385 ( 3.613 -5.046 0.003) 6.206 7.497 ( -1.648 3.253 0.485) 3.679 7.511 ( 1.704 -5.615 0.159) 5.870 7.670 ( 5.674 7.642 4.467) 10.514 7.694 ( 6.594 1.639 -2.741) 7.326 7.942 ( 7.382 -3.819 9.344) 12.506 8.083 ( -1.480 -0.921 -5.502) 5.771 8.169 ( -8.144 8.549 -2.559) 12.081 8.412 ( -4.372 8.046 -8.781) 12.687 8.535 ( -5.238 7.049 -2.978) 9.273 8.720 ( -10.160 2.704 -4.988) 11.637 8.748 ( -1.132 0.718 -0.170) 1.351 8.875 ( -0.191 3.575 -0.181) 3.585 9.378 ( -1.789 -11.700 1.498) 11.931 9.709 ( -5.900 -3.447 -1.796) 7.065 10.312 ( 0.642 -2.949 -1.575) 3.404 10.461 ( -2.761 -4.411 2.142) 5.627 10.872 ( -0.090 -6.912 7.040) 9.866 11.004 ( -1.215 -1.966 -2.073) 3.105 11.177 ( -1.839 -3.205 1.541) 4.003 11.290 ( -2.244 -9.542 -3.644) 10.458 11.925 ( 6.633 3.104 0.725) 7.359 11.939 ( 13.212 1.095 2.478) 13.487 12.105 ( 3.629 -0.095 1.169) 3.814 12.121 ( 2.574 -1.415 -0.699) 3.019 12.204 ( 0.122 -5.764 7.164) 9.196 12.379 ( 2.907 -4.716 1.314) 5.693 13.017 ( -4.776 -0.512 -6.927) 8.430 13.552 ( -9.343 3.794 -3.067) 10.541 13.805 ( 3.013 0.915 -1.285) 3.401 13.875 ( 8.289 1.310 11.239) 14.026 14.120 ( 3.411 2.310 3.922) 5.688 14.262 ( 1.277 3.885 -3.477) 5.368 14.408 ( -5.214 2.660 -6.494) 8.742 14.643 ( -6.026 5.658 3.918) 9.147 14.769 ( 7.085 2.477 7.903) 10.899 14.860 ( 10.356 0.638 1.074) 10.431 15.171 ( -5.725 10.167 -3.127) 12.080 15.496 ( -4.647 2.612 0.805) 5.391 16.244 ( -3.649 -0.343 2.879) 4.661 16.331 ( -3.398 -4.057 -1.134) 5.412 19.941 ( 0.037 -5.768 -1.476) 5.954 20.017 ( -2.366 -4.846 -1.474) 5.590 20.322 ( 1.279 0.857 2.400) 2.851 20.437 ( -0.406 0.182 -1.001) 1.095 24.500 ( -0.736 1.239 2.041) 2.498 24.607 ( -0.484 1.016 -1.325) 1.738 24.696 ( -6.888 0.946 -2.677) 7.450 24.836 ( -5.985 1.187 2.796) 6.712 25.935 ( 1.955 -1.877 2.963) 4.015 26.148 ( -2.988 -1.102 -4.539) 5.545 26.696 ( 9.619 -1.659 -7.597) 12.369 26.838 ( 2.292 11.812 8.905) 14.969 26.979 ( -1.296 -0.182 -1.872) 2.285 27.060 ( -4.905 -0.573 0.291) 4.947 27.259 ( 3.463 -0.777 5.575) 6.609 27.436 ( 1.486 0.573 -2.195) 2.712 27.906 ( -0.145 -6.758 0.987) 6.832 27.927 ( -0.025 -1.095 0.445) 1.183 28.321 ( 6.447 -3.828 3.476) 8.265 28.377 ( 9.448 -11.475 0.735) 14.883 28.602 ( -2.535 1.213 1.063) 3.005 28.934 ( -3.870 -4.626 6.678) 8.999 29.169 ( -0.580 3.155 -6.545) 7.289 29.715 ( -9.289 2.196 -11.069) 14.616 ======================= Grid point 306 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -2.441 0.000 24.373) 24.495 0.975 ( 5.942 -0.000 25.881) 26.554 1.469 ( -1.262 0.000 -11.380) 11.450 1.542 ( -4.370 0.000 2.384) 4.978 1.669 ( -3.870 0.000 -5.258) 6.529 1.674 ( -4.659 0.000 -3.233) 5.671 2.286 ( -15.912 0.000 7.810) 17.725 2.472 ( 10.777 -0.000 5.504) 12.101 2.713 ( 1.733 -0.000 -0.231) 1.748 2.758 ( 7.118 -0.000 -0.309) 7.125 2.792 ( 1.318 -0.000 6.004) 6.147 2.912 ( -8.221 0.000 -0.323) 8.228 3.015 ( -3.476 0.000 -1.175) 3.669 3.144 ( -16.661 0.000 -28.770) 33.246 3.321 ( 0.592 -0.000 8.662) 8.682 3.335 ( 6.988 -0.000 6.183) 9.331 3.529 ( -2.326 0.000 -0.935) 2.507 3.540 ( -3.383 0.000 -2.923) 4.470 3.880 ( -0.284 0.000 1.147) 1.181 3.898 ( 2.822 -0.000 -9.650) 10.054 4.092 ( -2.125 0.000 7.502) 7.797 4.133 ( -2.078 0.000 -2.611) 3.336 4.195 ( 6.880 -0.000 -1.037) 6.958 4.329 ( -4.620 0.000 3.981) 6.098 4.715 ( 2.510 -0.000 -3.983) 4.708 4.835 ( 8.631 -0.000 -4.493) 9.731 4.918 ( -9.495 0.000 -1.130) 9.562 5.124 ( -9.573 0.000 -2.775) 9.967 5.213 ( 6.073 -0.000 5.906) 8.471 5.273 ( 6.498 -0.000 -0.393) 6.510 5.404 ( -2.965 0.000 1.924) 3.535 5.466 ( -1.637 0.000 -7.240) 7.422 5.847 ( 0.994 -0.000 4.140) 4.258 5.880 ( 4.498 -0.000 -0.480) 4.524 6.097 ( 13.783 -0.000 -7.445) 15.665 6.185 ( 3.436 -0.000 0.499) 3.472 6.203 ( 3.692 -0.000 1.078) 3.847 6.323 ( 2.418 -0.000 2.264) 3.313 6.632 ( -9.705 0.000 -1.426) 9.809 6.647 ( -0.940 0.000 -9.994) 10.038 6.867 ( 4.440 -0.000 11.053) 11.912 7.161 ( -6.288 0.000 -3.108) 7.014 7.221 ( 4.213 -0.000 2.427) 4.862 7.303 ( 1.116 -0.000 3.359) 3.540 7.356 ( 0.244 -0.000 -0.835) 0.870 7.531 ( -8.160 0.000 -2.494) 8.532 7.667 ( 7.233 -0.000 4.602) 8.573 7.896 ( 5.733 -0.000 1.200) 5.857 7.910 ( -1.307 0.000 -1.029) 1.663 8.058 ( 10.469 -0.000 4.190) 11.276 8.213 ( -8.869 0.000 -5.560) 10.467 8.484 ( -6.470 0.000 -8.726) 10.863 8.566 ( -0.455 0.000 -0.447) 0.638 8.693 ( -11.093 0.000 -5.555) 12.406 8.772 ( -3.062 0.000 1.925) 3.617 8.900 ( -5.269 0.000 -3.314) 6.225 9.232 ( 5.250 -0.000 5.696) 7.746 9.629 ( -9.010 0.000 -4.100) 9.900 10.290 ( 2.505 -0.000 -0.220) 2.515 10.399 ( -3.504 0.000 1.190) 3.701 10.805 ( 1.414 -0.000 7.665) 7.794 10.971 ( -1.546 0.000 -3.525) 3.849 11.135 ( -2.302 0.000 2.404) 3.328 11.178 ( -0.817 0.000 -3.848) 3.933 11.997 ( 7.366 -0.000 -7.015) 10.172 12.058 ( -2.186 0.000 3.617) 4.226 12.111 ( 8.909 -0.000 2.513) 9.257 12.140 ( -2.622 0.000 4.221) 4.969 12.179 ( 24.549 -0.000 9.353) 26.270 12.337 ( 5.185 -0.000 3.290) 6.140 12.985 ( -1.527 0.000 -2.667) 3.073 13.519 ( -14.278 0.000 -4.286) 14.908 13.832 ( 4.276 -0.000 -2.575) 4.992 13.925 ( 0.576 -0.000 9.273) 9.291 14.159 ( 2.183 -0.000 5.599) 6.010 14.332 ( 7.598 -0.000 -3.142) 8.222 14.397 ( -5.439 0.000 -7.159) 8.991 14.649 ( -10.266 0.000 2.239) 10.507 14.896 ( 11.435 -0.000 10.981) 15.853 14.916 ( 13.509 -0.000 0.245) 13.511 15.259 ( -6.413 0.000 1.891) 6.686 15.476 ( -6.911 0.000 -3.310) 7.663 16.244 ( -2.919 0.000 1.150) 3.137 16.244 ( -2.395 0.000 -0.238) 2.407 19.867 ( -0.365 0.000 1.150) 1.207 19.947 ( -2.842 0.000 -2.572) 3.833 20.340 ( 1.571 -0.000 2.690) 3.115 20.433 ( -1.047 0.000 -1.532) 1.856 24.511 ( 0.028 -0.000 1.911) 1.911 24.608 ( -3.204 0.000 -2.227) 3.902 24.675 ( -1.370 0.000 0.032) 1.370 24.811 ( -6.498 0.000 2.030) 6.808 25.934 ( 2.886 -0.000 2.771) 4.001 26.113 ( -4.207 0.000 -4.327) 6.035 26.732 ( 9.865 -0.000 -6.757) 11.957 26.905 ( -8.709 0.000 -0.775) 8.743 27.027 ( -2.011 0.000 0.041) 2.011 27.032 ( -0.960 0.000 -0.212) 0.983 27.364 ( 15.265 -0.000 -3.766) 15.722 27.412 ( -2.929 0.000 9.181) 9.637 27.859 ( 4.052 -0.000 3.906) 5.628 27.939 ( 0.182 -0.000 0.774) 0.795 28.263 ( 12.001 -0.000 3.546) 12.514 28.312 ( 5.968 -0.000 3.072) 6.713 28.599 ( -3.395 0.000 1.010) 3.542 28.828 ( -12.345 0.000 0.858) 12.374 29.222 ( 7.461 -0.000 -4.600) 8.766 29.644 ( -18.028 0.000 -8.085) 19.758 =================== 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 3/54000 10.0 515.949 311.896 431.025 -0.000 105.541 -0.000 3/54000 20.0 96.940 87.570 104.601 -0.000 26.583 -0.000 3/54000 30.0 42.391 40.963 45.648 -0.000 12.211 -0.000 3/54000 40.0 24.895 24.005 26.015 -0.000 7.246 -0.000 3/54000 50.0 16.762 15.994 17.159 -0.000 4.882 -0.000 3/54000 60.0 12.283 11.607 12.411 -0.000 3.569 -0.000 3/54000 70.0 9.548 8.952 9.565 -0.000 2.767 -0.000 3/54000 80.0 7.750 7.220 7.718 -0.000 2.240 -0.000 3/54000 90.0 6.499 6.023 6.443 -0.000 1.875 -0.000 3/54000 100.0 5.588 5.157 5.521 -0.000 1.610 -0.000 3/54000 110.0 4.900 4.505 4.827 -0.000 1.412 -0.000 3/54000 120.0 4.364 4.000 4.289 -0.000 1.258 -0.000 3/54000 130.0 3.936 3.597 3.860 -0.000 1.136 -0.000 3/54000 140.0 3.588 3.271 3.512 -0.000 1.037 -0.000 3/54000 150.0 3.299 3.000 3.223 -0.000 0.955 -0.000 3/54000 160.0 3.055 2.772 2.980 -0.000 0.886 -0.000 3/54000 170.0 2.846 2.578 2.773 -0.000 0.827 -0.000 3/54000 180.0 2.666 2.411 2.595 -0.000 0.776 -0.000 3/54000 190.0 2.509 2.265 2.439 -0.000 0.731 -0.000 3/54000 200.0 2.370 2.137 2.302 -0.000 0.692 -0.000 3/54000 210.0 2.247 2.023 2.181 -0.000 0.657 -0.000 3/54000 220.0 2.137 1.922 2.073 -0.000 0.625 -0.000 3/54000 230.0 2.038 1.831 1.975 -0.000 0.597 -0.000 3/54000 240.0 1.948 1.749 1.887 -0.000 0.571 -0.000 3/54000 250.0 1.867 1.674 1.808 -0.000 0.547 -0.000 3/54000 260.0 1.792 1.606 1.735 -0.000 0.526 -0.000 3/54000 270.0 1.724 1.544 1.668 -0.000 0.506 -0.000 3/54000 280.0 1.661 1.487 1.607 -0.000 0.487 -0.000 3/54000 290.0 1.602 1.434 1.550 -0.000 0.470 -0.000 3/54000 300.0 1.548 1.385 1.497 -0.000 0.454 -0.000 3/54000 310.0 1.498 1.339 1.449 -0.000 0.440 -0.000 3/54000 320.0 1.451 1.297 1.403 -0.000 0.426 -0.000 3/54000 330.0 1.407 1.257 1.360 -0.000 0.413 -0.000 3/54000 340.0 1.366 1.220 1.321 -0.000 0.401 -0.000 3/54000 350.0 1.327 1.185 1.283 -0.000 0.389 -0.000 3/54000 360.0 1.291 1.152 1.248 -0.000 0.378 -0.000 3/54000 370.0 1.256 1.121 1.214 -0.000 0.368 -0.000 3/54000 380.0 1.224 1.092 1.183 -0.000 0.359 -0.000 3/54000 390.0 1.193 1.064 1.153 -0.000 0.349 -0.000 3/54000 400.0 1.164 1.038 1.125 -0.000 0.341 -0.000 3/54000 410.0 1.136 1.013 1.098 -0.000 0.332 -0.000 3/54000 420.0 1.110 0.990 1.073 -0.000 0.325 -0.000 3/54000 430.0 1.084 0.967 1.048 -0.000 0.317 -0.000 3/54000 440.0 1.060 0.946 1.025 -0.000 0.310 -0.000 3/54000 450.0 1.037 0.925 1.003 -0.000 0.303 -0.000 3/54000 460.0 1.015 0.905 0.982 -0.000 0.297 -0.000 3/54000 470.0 0.994 0.887 0.962 -0.000 0.290 -0.000 3/54000 480.0 0.974 0.869 0.942 -0.000 0.284 -0.000 3/54000 490.0 0.955 0.851 0.924 -0.000 0.278 -0.000 3/54000 500.0 0.936 0.835 0.906 -0.000 0.273 -0.000 3/54000 510.0 0.919 0.819 0.888 -0.000 0.268 -0.000 3/54000 520.0 0.901 0.803 0.872 -0.000 0.263 -0.000 3/54000 530.0 0.885 0.789 0.856 -0.000 0.258 -0.000 3/54000 540.0 0.869 0.775 0.841 -0.000 0.253 -0.000 3/54000 550.0 0.854 0.761 0.826 -0.000 0.248 -0.000 3/54000 560.0 0.839 0.748 0.812 -0.000 0.244 -0.000 3/54000 570.0 0.825 0.735 0.798 -0.000 0.240 -0.000 3/54000 580.0 0.811 0.723 0.784 -0.000 0.236 -0.000 3/54000 590.0 0.797 0.711 0.772 -0.000 0.232 -0.000 3/54000 600.0 0.784 0.699 0.759 -0.000 0.228 -0.000 3/54000 610.0 0.772 0.688 0.747 -0.000 0.224 -0.000 3/54000 620.0 0.760 0.677 0.735 -0.000 0.220 -0.000 3/54000 630.0 0.748 0.667 0.724 -0.000 0.217 -0.000 3/54000 640.0 0.737 0.657 0.713 -0.000 0.214 -0.000 3/54000 650.0 0.726 0.647 0.702 -0.000 0.210 -0.000 3/54000 660.0 0.715 0.637 0.692 -0.000 0.207 -0.000 3/54000 670.0 0.705 0.628 0.682 -0.000 0.204 -0.000 3/54000 680.0 0.695 0.619 0.672 -0.000 0.201 -0.000 3/54000 690.0 0.685 0.610 0.663 -0.000 0.198 -0.000 3/54000 700.0 0.675 0.602 0.654 -0.000 0.195 -0.000 3/54000 710.0 0.666 0.594 0.645 -0.000 0.193 -0.000 3/54000 720.0 0.657 0.586 0.636 -0.000 0.190 -0.000 3/54000 730.0 0.648 0.578 0.628 -0.000 0.187 -0.000 3/54000 740.0 0.640 0.570 0.619 -0.000 0.185 -0.000 3/54000 750.0 0.631 0.563 0.611 -0.000 0.183 -0.000 3/54000 760.0 0.623 0.556 0.604 -0.000 0.180 -0.000 3/54000 770.0 0.615 0.549 0.596 -0.000 0.178 -0.000 3/54000 780.0 0.608 0.542 0.588 -0.000 0.176 -0.000 3/54000 790.0 0.600 0.535 0.581 -0.000 0.173 -0.000 3/54000 800.0 0.593 0.529 0.574 -0.000 0.171 -0.000 3/54000 810.0 0.586 0.522 0.567 -0.000 0.169 -0.000 3/54000 820.0 0.579 0.516 0.561 -0.000 0.167 -0.000 3/54000 830.0 0.572 0.510 0.554 -0.000 0.165 -0.000 3/54000 840.0 0.565 0.504 0.548 -0.000 0.163 -0.000 3/54000 850.0 0.559 0.498 0.541 -0.000 0.161 -0.000 3/54000 860.0 0.552 0.493 0.535 -0.000 0.159 -0.000 3/54000 870.0 0.546 0.487 0.529 -0.000 0.158 -0.000 3/54000 880.0 0.540 0.482 0.523 -0.000 0.156 -0.000 3/54000 890.0 0.534 0.476 0.517 -0.000 0.154 -0.000 3/54000 900.0 0.528 0.471 0.512 -0.000 0.152 -0.000 3/54000 910.0 0.523 0.466 0.506 -0.000 0.151 -0.000 3/54000 920.0 0.517 0.461 0.501 -0.000 0.149 -0.000 3/54000 930.0 0.512 0.456 0.496 -0.000 0.147 -0.000 3/54000 940.0 0.506 0.452 0.491 -0.000 0.146 -0.000 3/54000 950.0 0.501 0.447 0.485 -0.000 0.144 -0.000 3/54000 960.0 0.496 0.442 0.481 -0.000 0.143 -0.000 3/54000 970.0 0.491 0.438 0.476 -0.000 0.141 -0.000 3/54000 980.0 0.486 0.433 0.471 -0.000 0.140 -0.000 3/54000 990.0 0.481 0.429 0.466 -0.000 0.139 -0.000 3/54000 1000.0 0.476 0.425 0.462 -0.000 0.137 -0.000 3/54000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:32:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|