----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.816578788694655 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -2.361541951449606 0.000000000000000 5.228078490517856 Atomic positions (fractional): *1 B 0.19909623355797 0.22847908410789 0.13833214577647 10.811 2 B 0.80090376644203 0.72847908410789 0.36166785422353 10.811 3 B 0.80090376644203 0.77152091589211 0.86166785422353 10.811 4 B 0.19909623355797 0.27152091589211 0.63833214577647 10.811 *5 S 0.45124634212561 0.18375396083536 0.67246342585692 32.065 6 S 0.54875365787439 0.68375396083536 0.82753657414308 32.065 7 S 0.54875365787439 0.81624603916464 0.32753657414308 32.065 8 S 0.45124634212561 0.31624603916464 0.17246342585692 32.065 *9 S 0.31132099437559 0.40744175619746 0.83222374290131 32.065 10 S 0.68867900562441 0.90744175619746 0.66777625709869 32.065 11 S 0.68867900562441 0.59255824380254 0.16777625709869 32.065 12 S 0.31132099437559 0.09255824380254 0.33222374290131 32.065 *13 S 0.02993334013392 0.19485575363716 0.78796111427436 32.065 14 S 0.97006665986608 0.69485575363716 0.71203888572564 32.065 15 S 0.97006665986608 0.80514424636284 0.21203888572564 32.065 16 S 0.02993334013392 0.30514424636284 0.28796111427436 32.065 *17 Tl 0.75143157398704 0.08303323791789 0.22609974159835 204.383 18 Tl 0.24856842601296 0.58303323791789 0.27390025840165 204.383 19 Tl 0.24856842601296 0.91696676208211 0.77390025840165 204.383 20 Tl 0.75143157398704 0.41696676208211 0.72609974159835 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.816578788694655 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -2.361541951449606 0.000000000000000 5.228078490517856 Atomic positions (fractional): *1 B 0.19909623355797 0.22847908410789 0.13833214577647 10.811 > 1 2 B 0.80090376644203 0.72847908410789 0.36166785422353 10.811 > 2 3 B 0.80090376644203 0.77152091589211 0.86166785422353 10.811 > 3 4 B 0.19909623355797 0.27152091589211 0.63833214577647 10.811 > 4 *5 S 0.45124634212561 0.18375396083536 0.67246342585692 32.065 > 5 6 S 0.54875365787439 0.68375396083536 0.82753657414308 32.065 > 6 7 S 0.54875365787439 0.81624603916464 0.32753657414308 32.065 > 7 8 S 0.45124634212561 0.31624603916464 0.17246342585692 32.065 > 8 *9 S 0.31132099437559 0.40744175619746 0.83222374290131 32.065 > 9 10 S 0.68867900562441 0.90744175619746 0.66777625709869 32.065 > 10 11 S 0.68867900562441 0.59255824380254 0.16777625709869 32.065 > 11 12 S 0.31132099437559 0.09255824380254 0.33222374290131 32.065 > 12 *13 S 0.02993334013392 0.19485575363716 0.78796111427436 32.065 > 13 14 S 0.97006665986608 0.69485575363716 0.71203888572564 32.065 > 14 15 S 0.97006665986608 0.80514424636284 0.21203888572564 32.065 > 15 16 S 0.02993334013392 0.30514424636284 0.28796111427436 32.065 > 16 *17 Tl 0.75143157398704 0.08303323791789 0.22609974159835 204.383 > 17 18 Tl 0.24856842601296 0.58303323791789 0.27390025840165 204.383 > 18 19 Tl 0.24856842601296 0.91696676208211 0.77390025840165 204.383 > 19 20 Tl 0.75143157398704 0.41696676208211 0.72609974159835 204.383 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.633157577389310 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -7.084625854348818 0.000000000000000 15.684235471553567 Atomic positions (fractional): *1 B 0.09954811677898 0.22847908410789 0.04611071525882 10.811 > 1 2 B 0.59954811677898 0.22847908410789 0.04611071525882 10.811 > 1 3 B 0.09954811677898 0.22847908410789 0.37944404859216 10.811 > 1 4 B 0.59954811677898 0.22847908410789 0.37944404859216 10.811 > 1 5 B 0.09954811677898 0.22847908410789 0.71277738192549 10.811 > 1 6 B 0.59954811677898 0.22847908410789 0.71277738192549 10.811 > 1 7 B 0.40045188322102 0.72847908410789 0.12055595140784 10.811 > 2 8 B 0.90045188322102 0.72847908410789 0.12055595140784 10.811 > 2 9 B 0.40045188322102 0.72847908410789 0.45388928474118 10.811 > 2 10 B 0.90045188322102 0.72847908410789 0.45388928474118 10.811 > 2 11 B 0.40045188322102 0.72847908410789 0.78722261807451 10.811 > 2 12 B 0.90045188322102 0.72847908410789 0.78722261807451 10.811 > 2 13 B 0.40045188322102 0.77152091589211 0.28722261807451 10.811 > 3 14 B 0.90045188322102 0.77152091589211 0.28722261807451 10.811 > 3 15 B 0.40045188322102 0.77152091589211 0.62055595140784 10.811 > 3 16 B 0.90045188322102 0.77152091589211 0.62055595140784 10.811 > 3 17 B 0.40045188322102 0.77152091589211 0.95388928474118 10.811 > 3 18 B 0.90045188322102 0.77152091589211 0.95388928474118 10.811 > 3 19 B 0.09954811677898 0.27152091589211 0.21277738192549 10.811 > 4 20 B 0.59954811677898 0.27152091589211 0.21277738192549 10.811 > 4 21 B 0.09954811677898 0.27152091589211 0.54611071525882 10.811 > 4 22 B 0.59954811677898 0.27152091589211 0.54611071525882 10.811 > 4 23 B 0.09954811677898 0.27152091589211 0.87944404859216 10.811 > 4 24 B 0.59954811677898 0.27152091589211 0.87944404859216 10.811 > 4 *25 S 0.22562317106281 0.18375396083536 0.22415447528564 32.065 > 5 26 S 0.72562317106281 0.18375396083536 0.22415447528564 32.065 > 5 27 S 0.22562317106281 0.18375396083536 0.55748780861897 32.065 > 5 28 S 0.72562317106281 0.18375396083536 0.55748780861897 32.065 > 5 29 S 0.22562317106281 0.18375396083536 0.89082114195231 32.065 > 5 30 S 0.72562317106281 0.18375396083536 0.89082114195231 32.065 > 5 31 S 0.27437682893719 0.68375396083536 0.27584552471436 32.065 > 6 32 S 0.77437682893719 0.68375396083536 0.27584552471436 32.065 > 6 33 S 0.27437682893719 0.68375396083536 0.60917885804769 32.065 > 6 34 S 0.77437682893719 0.68375396083536 0.60917885804769 32.065 > 6 35 S 0.27437682893719 0.68375396083536 0.94251219138103 32.065 > 6 36 S 0.77437682893719 0.68375396083536 0.94251219138103 32.065 > 6 37 S 0.27437682893719 0.81624603916464 0.10917885804769 32.065 > 7 38 S 0.77437682893719 0.81624603916464 0.10917885804769 32.065 > 7 39 S 0.27437682893719 0.81624603916464 0.44251219138103 32.065 > 7 40 S 0.77437682893719 0.81624603916464 0.44251219138103 32.065 > 7 41 S 0.27437682893719 0.81624603916464 0.77584552471436 32.065 > 7 42 S 0.77437682893719 0.81624603916464 0.77584552471436 32.065 > 7 43 S 0.22562317106281 0.31624603916464 0.05748780861897 32.065 > 8 44 S 0.72562317106281 0.31624603916464 0.05748780861897 32.065 > 8 45 S 0.22562317106281 0.31624603916464 0.39082114195231 32.065 > 8 46 S 0.72562317106281 0.31624603916464 0.39082114195231 32.065 > 8 47 S 0.22562317106281 0.31624603916464 0.72415447528564 32.065 > 8 48 S 0.72562317106281 0.31624603916464 0.72415447528564 32.065 > 8 *49 S 0.15566049718779 0.40744175619746 0.27740791430044 32.065 > 9 50 S 0.65566049718779 0.40744175619746 0.27740791430044 32.065 > 9 51 S 0.15566049718779 0.40744175619746 0.61074124763377 32.065 > 9 52 S 0.65566049718779 0.40744175619746 0.61074124763377 32.065 > 9 53 S 0.15566049718779 0.40744175619746 0.94407458096710 32.065 > 9 54 S 0.65566049718779 0.40744175619746 0.94407458096710 32.065 > 9 55 S 0.34433950281221 0.90744175619746 0.22259208569956 32.065 > 10 56 S 0.84433950281221 0.90744175619746 0.22259208569956 32.065 > 10 57 S 0.34433950281221 0.90744175619746 0.55592541903290 32.065 > 10 58 S 0.84433950281221 0.90744175619746 0.55592541903290 32.065 > 10 59 S 0.34433950281221 0.90744175619746 0.88925875236623 32.065 > 10 60 S 0.84433950281221 0.90744175619746 0.88925875236623 32.065 > 10 61 S 0.34433950281221 0.59255824380254 0.05592541903290 32.065 > 11 62 S 0.84433950281221 0.59255824380254 0.05592541903290 32.065 > 11 63 S 0.34433950281221 0.59255824380254 0.38925875236623 32.065 > 11 64 S 0.84433950281221 0.59255824380254 0.38925875236623 32.065 > 11 65 S 0.34433950281221 0.59255824380254 0.72259208569956 32.065 > 11 66 S 0.84433950281221 0.59255824380254 0.72259208569956 32.065 > 11 67 S 0.15566049718779 0.09255824380254 0.11074124763377 32.065 > 12 68 S 0.65566049718779 0.09255824380254 0.11074124763377 32.065 > 12 69 S 0.15566049718779 0.09255824380254 0.44407458096710 32.065 > 12 70 S 0.65566049718779 0.09255824380254 0.44407458096710 32.065 > 12 71 S 0.15566049718779 0.09255824380254 0.77740791430044 32.065 > 12 72 S 0.65566049718779 0.09255824380254 0.77740791430044 32.065 > 12 *73 S 0.01496667006696 0.19485575363716 0.26265370475812 32.065 > 13 74 S 0.51496667006696 0.19485575363716 0.26265370475812 32.065 > 13 75 S 0.01496667006696 0.19485575363716 0.59598703809145 32.065 > 13 76 S 0.51496667006696 0.19485575363716 0.59598703809145 32.065 > 13 77 S 0.01496667006696 0.19485575363716 0.92932037142479 32.065 > 13 78 S 0.51496667006696 0.19485575363716 0.92932037142479 32.065 > 13 79 S 0.48503332993304 0.69485575363716 0.23734629524188 32.065 > 14 80 S 0.98503332993304 0.69485575363716 0.23734629524188 32.065 > 14 81 S 0.48503332993304 0.69485575363716 0.57067962857521 32.065 > 14 82 S 0.98503332993304 0.69485575363716 0.57067962857521 32.065 > 14 83 S 0.48503332993304 0.69485575363716 0.90401296190855 32.065 > 14 84 S 0.98503332993304 0.69485575363716 0.90401296190855 32.065 > 14 85 S 0.48503332993304 0.80514424636284 0.07067962857521 32.065 > 15 86 S 0.98503332993304 0.80514424636284 0.07067962857521 32.065 > 15 87 S 0.48503332993304 0.80514424636284 0.40401296190855 32.065 > 15 88 S 0.98503332993304 0.80514424636284 0.40401296190855 32.065 > 15 89 S 0.48503332993304 0.80514424636284 0.73734629524188 32.065 > 15 90 S 0.98503332993304 0.80514424636284 0.73734629524188 32.065 > 15 91 S 0.01496667006696 0.30514424636284 0.09598703809145 32.065 > 16 92 S 0.51496667006696 0.30514424636284 0.09598703809145 32.065 > 16 93 S 0.01496667006696 0.30514424636284 0.42932037142479 32.065 > 16 94 S 0.51496667006696 0.30514424636284 0.42932037142479 32.065 > 16 95 S 0.01496667006696 0.30514424636284 0.76265370475812 32.065 > 16 96 S 0.51496667006696 0.30514424636284 0.76265370475812 32.065 > 16 *97 Tl 0.37571578699352 0.08303323791789 0.07536658053278 204.383 > 17 98 Tl 0.87571578699352 0.08303323791789 0.07536658053278 204.383 > 17 99 Tl 0.37571578699352 0.08303323791789 0.40869991386612 204.383 > 17 100 Tl 0.87571578699352 0.08303323791789 0.40869991386612 204.383 > 17 101 Tl 0.37571578699352 0.08303323791789 0.74203324719945 204.383 > 17 102 Tl 0.87571578699352 0.08303323791789 0.74203324719945 204.383 > 17 103 Tl 0.12428421300648 0.58303323791789 0.09130008613388 204.383 > 18 104 Tl 0.62428421300648 0.58303323791789 0.09130008613388 204.383 > 18 105 Tl 0.12428421300648 0.58303323791789 0.42463341946722 204.383 > 18 106 Tl 0.62428421300648 0.58303323791789 0.42463341946722 204.383 > 18 107 Tl 0.12428421300648 0.58303323791789 0.75796675280055 204.383 > 18 108 Tl 0.62428421300648 0.58303323791789 0.75796675280055 204.383 > 18 109 Tl 0.12428421300648 0.91696676208211 0.25796675280055 204.383 > 19 110 Tl 0.62428421300648 0.91696676208211 0.25796675280055 204.383 > 19 111 Tl 0.12428421300648 0.91696676208211 0.59130008613388 204.383 > 19 112 Tl 0.62428421300648 0.91696676208211 0.59130008613388 204.383 > 19 113 Tl 0.12428421300648 0.91696676208211 0.92463341946722 204.383 > 19 114 Tl 0.62428421300648 0.91696676208211 0.92463341946722 204.383 > 19 115 Tl 0.37571578699352 0.41696676208211 0.24203324719945 204.383 > 20 116 Tl 0.87571578699352 0.41696676208211 0.24203324719945 204.383 > 20 117 Tl 0.37571578699352 0.41696676208211 0.57536658053278 204.383 > 20 118 Tl 0.87571578699352 0.41696676208211 0.57536658053278 204.383 > 20 119 Tl 0.37571578699352 0.41696676208211 0.90869991386612 204.383 > 20 120 Tl 0.87571578699352 0.41696676208211 0.90869991386612 204.383 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7731033 0.0000000 -0.1810496 0.0000000 7.0611450 0.0000000 -0.1810497 0.0000000 7.7497875 -------------------------- Born effective charges -------------------------- 1 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 2 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 3 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 4 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 5 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 6 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 7 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 8 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 9 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 10 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 11 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 12 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 13 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 14 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 15 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 16 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 17 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 18 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 19 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 20 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.859 Solver_block: 200 / 640 - Time: 0.742 Solver_block: 300 / 640 - Time: 0.744 Solver_block: 400 / 640 - Time: 0.743 Solver_block: 500 / 640 - Time: 0.744 Solver_block: 600 / 640 - Time: 0.743 Solver_block: 640 / 640 - Time: 0.384 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.075 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True 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 2026-01-08 07:33:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:33:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.816578788694655 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -2.361541951449606 0.000000000000000 5.228078490517856 Atomic positions (fractional): 1 B 0.19909623355797 0.22847908410789 0.13833214577647 10.811 2 B 0.80090376644203 0.72847908410789 0.36166785422353 10.811 3 B 0.80090376644203 0.77152091589211 0.86166785422353 10.811 4 B 0.19909623355797 0.27152091589211 0.63833214577647 10.811 5 S 0.45124634212561 0.18375396083536 0.67246342585692 32.065 6 S 0.54875365787439 0.68375396083536 0.82753657414308 32.065 7 S 0.54875365787439 0.81624603916464 0.32753657414308 32.065 8 S 0.45124634212561 0.31624603916464 0.17246342585692 32.065 9 S 0.31132099437559 0.40744175619746 0.83222374290131 32.065 10 S 0.68867900562441 0.90744175619746 0.66777625709869 32.065 11 S 0.68867900562441 0.59255824380254 0.16777625709869 32.065 12 S 0.31132099437559 0.09255824380254 0.33222374290131 32.065 13 S 0.02993334013392 0.19485575363716 0.78796111427436 32.065 14 S 0.97006665986608 0.69485575363716 0.71203888572564 32.065 15 S 0.97006665986608 0.80514424636284 0.21203888572564 32.065 16 S 0.02993334013392 0.30514424636284 0.28796111427436 32.065 17 Tl 0.75143157398704 0.08303323791789 0.22609974159835 204.383 18 Tl 0.24856842601296 0.58303323791789 0.27390025840165 204.383 19 Tl 0.24856842601296 0.91696676208211 0.77390025840165 204.383 20 Tl 0.75143157398704 0.41696676208211 0.72609974159835 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.633157577389310 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -7.084625854348818 0.000000000000000 15.684235471553567 Atomic positions (fractional): 1 B 0.09954811677898 0.22847908410789 0.04611071525882 10.811 > 1 2 B 0.59954811677898 0.22847908410789 0.04611071525882 10.811 > 1 3 B 0.09954811677898 0.22847908410789 0.37944404859216 10.811 > 1 4 B 0.59954811677898 0.22847908410789 0.37944404859216 10.811 > 1 5 B 0.09954811677898 0.22847908410789 0.71277738192549 10.811 > 1 6 B 0.59954811677898 0.22847908410789 0.71277738192549 10.811 > 1 7 B 0.40045188322102 0.72847908410789 0.12055595140784 10.811 > 7 8 B 0.90045188322102 0.72847908410789 0.12055595140784 10.811 > 7 9 B 0.40045188322102 0.72847908410789 0.45388928474118 10.811 > 7 10 B 0.90045188322102 0.72847908410789 0.45388928474118 10.811 > 7 11 B 0.40045188322102 0.72847908410789 0.78722261807451 10.811 > 7 12 B 0.90045188322102 0.72847908410789 0.78722261807451 10.811 > 7 13 B 0.40045188322102 0.77152091589211 0.28722261807451 10.811 > 13 14 B 0.90045188322102 0.77152091589211 0.28722261807451 10.811 > 13 15 B 0.40045188322102 0.77152091589211 0.62055595140784 10.811 > 13 16 B 0.90045188322102 0.77152091589211 0.62055595140784 10.811 > 13 17 B 0.40045188322102 0.77152091589211 0.95388928474118 10.811 > 13 18 B 0.90045188322102 0.77152091589211 0.95388928474118 10.811 > 13 19 B 0.09954811677898 0.27152091589211 0.21277738192549 10.811 > 19 20 B 0.59954811677898 0.27152091589211 0.21277738192549 10.811 > 19 21 B 0.09954811677898 0.27152091589211 0.54611071525882 10.811 > 19 22 B 0.59954811677898 0.27152091589211 0.54611071525882 10.811 > 19 23 B 0.09954811677898 0.27152091589211 0.87944404859216 10.811 > 19 24 B 0.59954811677898 0.27152091589211 0.87944404859216 10.811 > 19 25 S 0.22562317106281 0.18375396083536 0.22415447528564 32.065 > 25 26 S 0.72562317106281 0.18375396083536 0.22415447528564 32.065 > 25 27 S 0.22562317106281 0.18375396083536 0.55748780861897 32.065 > 25 28 S 0.72562317106281 0.18375396083536 0.55748780861897 32.065 > 25 29 S 0.22562317106281 0.18375396083536 0.89082114195231 32.065 > 25 30 S 0.72562317106281 0.18375396083536 0.89082114195231 32.065 > 25 31 S 0.27437682893719 0.68375396083536 0.27584552471436 32.065 > 31 32 S 0.77437682893719 0.68375396083536 0.27584552471436 32.065 > 31 33 S 0.27437682893719 0.68375396083536 0.60917885804769 32.065 > 31 34 S 0.77437682893719 0.68375396083536 0.60917885804769 32.065 > 31 35 S 0.27437682893719 0.68375396083536 0.94251219138103 32.065 > 31 36 S 0.77437682893719 0.68375396083536 0.94251219138103 32.065 > 31 37 S 0.27437682893719 0.81624603916464 0.10917885804769 32.065 > 37 38 S 0.77437682893719 0.81624603916464 0.10917885804769 32.065 > 37 39 S 0.27437682893719 0.81624603916464 0.44251219138103 32.065 > 37 40 S 0.77437682893719 0.81624603916464 0.44251219138103 32.065 > 37 41 S 0.27437682893719 0.81624603916464 0.77584552471436 32.065 > 37 42 S 0.77437682893719 0.81624603916464 0.77584552471436 32.065 > 37 43 S 0.22562317106281 0.31624603916464 0.05748780861897 32.065 > 43 44 S 0.72562317106281 0.31624603916464 0.05748780861897 32.065 > 43 45 S 0.22562317106281 0.31624603916464 0.39082114195231 32.065 > 43 46 S 0.72562317106281 0.31624603916464 0.39082114195231 32.065 > 43 47 S 0.22562317106281 0.31624603916464 0.72415447528564 32.065 > 43 48 S 0.72562317106281 0.31624603916464 0.72415447528564 32.065 > 43 49 S 0.15566049718779 0.40744175619746 0.27740791430044 32.065 > 49 50 S 0.65566049718779 0.40744175619746 0.27740791430044 32.065 > 49 51 S 0.15566049718779 0.40744175619746 0.61074124763377 32.065 > 49 52 S 0.65566049718779 0.40744175619746 0.61074124763377 32.065 > 49 53 S 0.15566049718779 0.40744175619746 0.94407458096710 32.065 > 49 54 S 0.65566049718779 0.40744175619746 0.94407458096710 32.065 > 49 55 S 0.34433950281221 0.90744175619746 0.22259208569956 32.065 > 55 56 S 0.84433950281221 0.90744175619746 0.22259208569956 32.065 > 55 57 S 0.34433950281221 0.90744175619746 0.55592541903290 32.065 > 55 58 S 0.84433950281221 0.90744175619746 0.55592541903290 32.065 > 55 59 S 0.34433950281221 0.90744175619746 0.88925875236623 32.065 > 55 60 S 0.84433950281221 0.90744175619746 0.88925875236623 32.065 > 55 61 S 0.34433950281221 0.59255824380254 0.05592541903290 32.065 > 61 62 S 0.84433950281221 0.59255824380254 0.05592541903290 32.065 > 61 63 S 0.34433950281221 0.59255824380254 0.38925875236623 32.065 > 61 64 S 0.84433950281221 0.59255824380254 0.38925875236623 32.065 > 61 65 S 0.34433950281221 0.59255824380254 0.72259208569956 32.065 > 61 66 S 0.84433950281221 0.59255824380254 0.72259208569956 32.065 > 61 67 S 0.15566049718779 0.09255824380254 0.11074124763377 32.065 > 67 68 S 0.65566049718779 0.09255824380254 0.11074124763377 32.065 > 67 69 S 0.15566049718779 0.09255824380254 0.44407458096710 32.065 > 67 70 S 0.65566049718779 0.09255824380254 0.44407458096710 32.065 > 67 71 S 0.15566049718779 0.09255824380254 0.77740791430044 32.065 > 67 72 S 0.65566049718779 0.09255824380254 0.77740791430044 32.065 > 67 73 S 0.01496667006696 0.19485575363716 0.26265370475812 32.065 > 73 74 S 0.51496667006696 0.19485575363716 0.26265370475812 32.065 > 73 75 S 0.01496667006696 0.19485575363716 0.59598703809145 32.065 > 73 76 S 0.51496667006696 0.19485575363716 0.59598703809145 32.065 > 73 77 S 0.01496667006696 0.19485575363716 0.92932037142479 32.065 > 73 78 S 0.51496667006696 0.19485575363716 0.92932037142479 32.065 > 73 79 S 0.48503332993304 0.69485575363716 0.23734629524188 32.065 > 79 80 S 0.98503332993304 0.69485575363716 0.23734629524188 32.065 > 79 81 S 0.48503332993304 0.69485575363716 0.57067962857521 32.065 > 79 82 S 0.98503332993304 0.69485575363716 0.57067962857521 32.065 > 79 83 S 0.48503332993304 0.69485575363716 0.90401296190855 32.065 > 79 84 S 0.98503332993304 0.69485575363716 0.90401296190855 32.065 > 79 85 S 0.48503332993304 0.80514424636284 0.07067962857521 32.065 > 85 86 S 0.98503332993304 0.80514424636284 0.07067962857521 32.065 > 85 87 S 0.48503332993304 0.80514424636284 0.40401296190855 32.065 > 85 88 S 0.98503332993304 0.80514424636284 0.40401296190855 32.065 > 85 89 S 0.48503332993304 0.80514424636284 0.73734629524188 32.065 > 85 90 S 0.98503332993304 0.80514424636284 0.73734629524188 32.065 > 85 91 S 0.01496667006696 0.30514424636284 0.09598703809145 32.065 > 91 92 S 0.51496667006696 0.30514424636284 0.09598703809145 32.065 > 91 93 S 0.01496667006696 0.30514424636284 0.42932037142479 32.065 > 91 94 S 0.51496667006696 0.30514424636284 0.42932037142479 32.065 > 91 95 S 0.01496667006696 0.30514424636284 0.76265370475812 32.065 > 91 96 S 0.51496667006696 0.30514424636284 0.76265370475812 32.065 > 91 97 Tl 0.37571578699352 0.08303323791789 0.07536658053278 204.383 > 97 98 Tl 0.87571578699352 0.08303323791789 0.07536658053278 204.383 > 97 99 Tl 0.37571578699352 0.08303323791789 0.40869991386612 204.383 > 97 100 Tl 0.87571578699352 0.08303323791789 0.40869991386612 204.383 > 97 101 Tl 0.37571578699352 0.08303323791789 0.74203324719945 204.383 > 97 102 Tl 0.87571578699352 0.08303323791789 0.74203324719945 204.383 > 97 103 Tl 0.12428421300648 0.58303323791789 0.09130008613388 204.383 > 103 104 Tl 0.62428421300648 0.58303323791789 0.09130008613388 204.383 > 103 105 Tl 0.12428421300648 0.58303323791789 0.42463341946722 204.383 > 103 106 Tl 0.62428421300648 0.58303323791789 0.42463341946722 204.383 > 103 107 Tl 0.12428421300648 0.58303323791789 0.75796675280055 204.383 > 103 108 Tl 0.62428421300648 0.58303323791789 0.75796675280055 204.383 > 103 109 Tl 0.12428421300648 0.91696676208211 0.25796675280055 204.383 > 109 110 Tl 0.62428421300648 0.91696676208211 0.25796675280055 204.383 > 109 111 Tl 0.12428421300648 0.91696676208211 0.59130008613388 204.383 > 109 112 Tl 0.62428421300648 0.91696676208211 0.59130008613388 204.383 > 109 113 Tl 0.12428421300648 0.91696676208211 0.92463341946722 204.383 > 109 114 Tl 0.62428421300648 0.91696676208211 0.92463341946722 204.383 > 109 115 Tl 0.37571578699352 0.41696676208211 0.24203324719945 204.383 > 115 116 Tl 0.87571578699352 0.41696676208211 0.24203324719945 204.383 > 115 117 Tl 0.37571578699352 0.41696676208211 0.57536658053278 204.383 > 115 118 Tl 0.87571578699352 0.41696676208211 0.57536658053278 204.383 > 115 119 Tl 0.37571578699352 0.41696676208211 0.90869991386612 204.383 > 115 120 Tl 0.87571578699352 0.41696676208211 0.90869991386612 204.383 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7731033 0.0000000 -0.1810496 0.0000000 7.0611450 0.0000000 -0.1810497 0.0000000 7.7497875 -------------------------- Born effective charges -------------------------- 1 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 2 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 3 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 4 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 5 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 6 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 7 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 8 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 9 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 10 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 11 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 12 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 13 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 14 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 15 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 16 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 17 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 18 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 19 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 20 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:34:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:34:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.816578788694655 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -2.361541951449606 0.000000000000000 5.228078490517856 Atomic positions (fractional): 1 B 0.19909623355797 0.22847908410789 0.13833214577647 10.811 2 B 0.80090376644203 0.72847908410789 0.36166785422353 10.811 3 B 0.80090376644203 0.77152091589211 0.86166785422353 10.811 4 B 0.19909623355797 0.27152091589211 0.63833214577647 10.811 5 S 0.45124634212561 0.18375396083536 0.67246342585692 32.065 6 S 0.54875365787439 0.68375396083536 0.82753657414308 32.065 7 S 0.54875365787439 0.81624603916464 0.32753657414308 32.065 8 S 0.45124634212561 0.31624603916464 0.17246342585692 32.065 9 S 0.31132099437559 0.40744175619746 0.83222374290131 32.065 10 S 0.68867900562441 0.90744175619746 0.66777625709869 32.065 11 S 0.68867900562441 0.59255824380254 0.16777625709869 32.065 12 S 0.31132099437559 0.09255824380254 0.33222374290131 32.065 13 S 0.02993334013392 0.19485575363716 0.78796111427436 32.065 14 S 0.97006665986608 0.69485575363716 0.71203888572564 32.065 15 S 0.97006665986608 0.80514424636284 0.21203888572564 32.065 16 S 0.02993334013392 0.30514424636284 0.28796111427436 32.065 17 Tl 0.75143157398704 0.08303323791789 0.22609974159835 204.383 18 Tl 0.24856842601296 0.58303323791789 0.27390025840165 204.383 19 Tl 0.24856842601296 0.91696676208211 0.77390025840165 204.383 20 Tl 0.75143157398704 0.41696676208211 0.72609974159835 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.633157577389310 0.000000000000000 0.000000000000000 b 0.000000000000000 11.647408880000002 0.000000000000000 c -7.084625854348818 0.000000000000000 15.684235471553567 Atomic positions (fractional): 1 B 0.09954811677898 0.22847908410789 0.04611071525882 10.811 > 1 2 B 0.59954811677898 0.22847908410789 0.04611071525882 10.811 > 1 3 B 0.09954811677898 0.22847908410789 0.37944404859216 10.811 > 1 4 B 0.59954811677898 0.22847908410789 0.37944404859216 10.811 > 1 5 B 0.09954811677898 0.22847908410789 0.71277738192549 10.811 > 1 6 B 0.59954811677898 0.22847908410789 0.71277738192549 10.811 > 1 7 B 0.40045188322102 0.72847908410789 0.12055595140784 10.811 > 7 8 B 0.90045188322102 0.72847908410789 0.12055595140784 10.811 > 7 9 B 0.40045188322102 0.72847908410789 0.45388928474118 10.811 > 7 10 B 0.90045188322102 0.72847908410789 0.45388928474118 10.811 > 7 11 B 0.40045188322102 0.72847908410789 0.78722261807451 10.811 > 7 12 B 0.90045188322102 0.72847908410789 0.78722261807451 10.811 > 7 13 B 0.40045188322102 0.77152091589211 0.28722261807451 10.811 > 13 14 B 0.90045188322102 0.77152091589211 0.28722261807451 10.811 > 13 15 B 0.40045188322102 0.77152091589211 0.62055595140784 10.811 > 13 16 B 0.90045188322102 0.77152091589211 0.62055595140784 10.811 > 13 17 B 0.40045188322102 0.77152091589211 0.95388928474118 10.811 > 13 18 B 0.90045188322102 0.77152091589211 0.95388928474118 10.811 > 13 19 B 0.09954811677898 0.27152091589211 0.21277738192549 10.811 > 19 20 B 0.59954811677898 0.27152091589211 0.21277738192549 10.811 > 19 21 B 0.09954811677898 0.27152091589211 0.54611071525882 10.811 > 19 22 B 0.59954811677898 0.27152091589211 0.54611071525882 10.811 > 19 23 B 0.09954811677898 0.27152091589211 0.87944404859216 10.811 > 19 24 B 0.59954811677898 0.27152091589211 0.87944404859216 10.811 > 19 25 S 0.22562317106281 0.18375396083536 0.22415447528564 32.065 > 25 26 S 0.72562317106281 0.18375396083536 0.22415447528564 32.065 > 25 27 S 0.22562317106281 0.18375396083536 0.55748780861897 32.065 > 25 28 S 0.72562317106281 0.18375396083536 0.55748780861897 32.065 > 25 29 S 0.22562317106281 0.18375396083536 0.89082114195231 32.065 > 25 30 S 0.72562317106281 0.18375396083536 0.89082114195231 32.065 > 25 31 S 0.27437682893719 0.68375396083536 0.27584552471436 32.065 > 31 32 S 0.77437682893719 0.68375396083536 0.27584552471436 32.065 > 31 33 S 0.27437682893719 0.68375396083536 0.60917885804769 32.065 > 31 34 S 0.77437682893719 0.68375396083536 0.60917885804769 32.065 > 31 35 S 0.27437682893719 0.68375396083536 0.94251219138103 32.065 > 31 36 S 0.77437682893719 0.68375396083536 0.94251219138103 32.065 > 31 37 S 0.27437682893719 0.81624603916464 0.10917885804769 32.065 > 37 38 S 0.77437682893719 0.81624603916464 0.10917885804769 32.065 > 37 39 S 0.27437682893719 0.81624603916464 0.44251219138103 32.065 > 37 40 S 0.77437682893719 0.81624603916464 0.44251219138103 32.065 > 37 41 S 0.27437682893719 0.81624603916464 0.77584552471436 32.065 > 37 42 S 0.77437682893719 0.81624603916464 0.77584552471436 32.065 > 37 43 S 0.22562317106281 0.31624603916464 0.05748780861897 32.065 > 43 44 S 0.72562317106281 0.31624603916464 0.05748780861897 32.065 > 43 45 S 0.22562317106281 0.31624603916464 0.39082114195231 32.065 > 43 46 S 0.72562317106281 0.31624603916464 0.39082114195231 32.065 > 43 47 S 0.22562317106281 0.31624603916464 0.72415447528564 32.065 > 43 48 S 0.72562317106281 0.31624603916464 0.72415447528564 32.065 > 43 49 S 0.15566049718779 0.40744175619746 0.27740791430044 32.065 > 49 50 S 0.65566049718779 0.40744175619746 0.27740791430044 32.065 > 49 51 S 0.15566049718779 0.40744175619746 0.61074124763377 32.065 > 49 52 S 0.65566049718779 0.40744175619746 0.61074124763377 32.065 > 49 53 S 0.15566049718779 0.40744175619746 0.94407458096710 32.065 > 49 54 S 0.65566049718779 0.40744175619746 0.94407458096710 32.065 > 49 55 S 0.34433950281221 0.90744175619746 0.22259208569956 32.065 > 55 56 S 0.84433950281221 0.90744175619746 0.22259208569956 32.065 > 55 57 S 0.34433950281221 0.90744175619746 0.55592541903290 32.065 > 55 58 S 0.84433950281221 0.90744175619746 0.55592541903290 32.065 > 55 59 S 0.34433950281221 0.90744175619746 0.88925875236623 32.065 > 55 60 S 0.84433950281221 0.90744175619746 0.88925875236623 32.065 > 55 61 S 0.34433950281221 0.59255824380254 0.05592541903290 32.065 > 61 62 S 0.84433950281221 0.59255824380254 0.05592541903290 32.065 > 61 63 S 0.34433950281221 0.59255824380254 0.38925875236623 32.065 > 61 64 S 0.84433950281221 0.59255824380254 0.38925875236623 32.065 > 61 65 S 0.34433950281221 0.59255824380254 0.72259208569956 32.065 > 61 66 S 0.84433950281221 0.59255824380254 0.72259208569956 32.065 > 61 67 S 0.15566049718779 0.09255824380254 0.11074124763377 32.065 > 67 68 S 0.65566049718779 0.09255824380254 0.11074124763377 32.065 > 67 69 S 0.15566049718779 0.09255824380254 0.44407458096710 32.065 > 67 70 S 0.65566049718779 0.09255824380254 0.44407458096710 32.065 > 67 71 S 0.15566049718779 0.09255824380254 0.77740791430044 32.065 > 67 72 S 0.65566049718779 0.09255824380254 0.77740791430044 32.065 > 67 73 S 0.01496667006696 0.19485575363716 0.26265370475812 32.065 > 73 74 S 0.51496667006696 0.19485575363716 0.26265370475812 32.065 > 73 75 S 0.01496667006696 0.19485575363716 0.59598703809145 32.065 > 73 76 S 0.51496667006696 0.19485575363716 0.59598703809145 32.065 > 73 77 S 0.01496667006696 0.19485575363716 0.92932037142479 32.065 > 73 78 S 0.51496667006696 0.19485575363716 0.92932037142479 32.065 > 73 79 S 0.48503332993304 0.69485575363716 0.23734629524188 32.065 > 79 80 S 0.98503332993304 0.69485575363716 0.23734629524188 32.065 > 79 81 S 0.48503332993304 0.69485575363716 0.57067962857521 32.065 > 79 82 S 0.98503332993304 0.69485575363716 0.57067962857521 32.065 > 79 83 S 0.48503332993304 0.69485575363716 0.90401296190855 32.065 > 79 84 S 0.98503332993304 0.69485575363716 0.90401296190855 32.065 > 79 85 S 0.48503332993304 0.80514424636284 0.07067962857521 32.065 > 85 86 S 0.98503332993304 0.80514424636284 0.07067962857521 32.065 > 85 87 S 0.48503332993304 0.80514424636284 0.40401296190855 32.065 > 85 88 S 0.98503332993304 0.80514424636284 0.40401296190855 32.065 > 85 89 S 0.48503332993304 0.80514424636284 0.73734629524188 32.065 > 85 90 S 0.98503332993304 0.80514424636284 0.73734629524188 32.065 > 85 91 S 0.01496667006696 0.30514424636284 0.09598703809145 32.065 > 91 92 S 0.51496667006696 0.30514424636284 0.09598703809145 32.065 > 91 93 S 0.01496667006696 0.30514424636284 0.42932037142479 32.065 > 91 94 S 0.51496667006696 0.30514424636284 0.42932037142479 32.065 > 91 95 S 0.01496667006696 0.30514424636284 0.76265370475812 32.065 > 91 96 S 0.51496667006696 0.30514424636284 0.76265370475812 32.065 > 91 97 Tl 0.37571578699352 0.08303323791789 0.07536658053278 204.383 > 97 98 Tl 0.87571578699352 0.08303323791789 0.07536658053278 204.383 > 97 99 Tl 0.37571578699352 0.08303323791789 0.40869991386612 204.383 > 97 100 Tl 0.87571578699352 0.08303323791789 0.40869991386612 204.383 > 97 101 Tl 0.37571578699352 0.08303323791789 0.74203324719945 204.383 > 97 102 Tl 0.87571578699352 0.08303323791789 0.74203324719945 204.383 > 97 103 Tl 0.12428421300648 0.58303323791789 0.09130008613388 204.383 > 103 104 Tl 0.62428421300648 0.58303323791789 0.09130008613388 204.383 > 103 105 Tl 0.12428421300648 0.58303323791789 0.42463341946722 204.383 > 103 106 Tl 0.62428421300648 0.58303323791789 0.42463341946722 204.383 > 103 107 Tl 0.12428421300648 0.58303323791789 0.75796675280055 204.383 > 103 108 Tl 0.62428421300648 0.58303323791789 0.75796675280055 204.383 > 103 109 Tl 0.12428421300648 0.91696676208211 0.25796675280055 204.383 > 109 110 Tl 0.62428421300648 0.91696676208211 0.25796675280055 204.383 > 109 111 Tl 0.12428421300648 0.91696676208211 0.59130008613388 204.383 > 109 112 Tl 0.62428421300648 0.91696676208211 0.59130008613388 204.383 > 109 113 Tl 0.12428421300648 0.91696676208211 0.92463341946722 204.383 > 109 114 Tl 0.62428421300648 0.91696676208211 0.92463341946722 204.383 > 109 115 Tl 0.37571578699352 0.41696676208211 0.24203324719945 204.383 > 115 116 Tl 0.87571578699352 0.41696676208211 0.24203324719945 204.383 > 115 117 Tl 0.37571578699352 0.41696676208211 0.57536658053278 204.383 > 115 118 Tl 0.87571578699352 0.41696676208211 0.57536658053278 204.383 > 115 119 Tl 0.37571578699352 0.41696676208211 0.90869991386612 204.383 > 115 120 Tl 0.87571578699352 0.41696676208211 0.90869991386612 204.383 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7731033 0.0000000 -0.1810496 0.0000000 7.0611450 0.0000000 -0.1810497 0.0000000 7.7497875 -------------------------- Born effective charges -------------------------- 1 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 2 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 3 B 1.3942329 -0.1787548 -0.2513440 -0.0225850 0.6418823 -0.0929665 -0.5232233 -0.2050576 1.7153021 4 B 1.3942329 0.1787548 -0.2513440 0.0225850 0.6418823 0.0929665 -0.5232233 0.2050576 1.7153021 5 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 6 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 7 S -1.0840438 -0.1598461 -0.3935200 0.1192980 -0.7653201 0.5211979 -0.0625224 0.2849296 -0.7496567 8 S -1.0840438 0.1598461 -0.3935200 -0.1192980 -0.7653201 -0.5211979 -0.0625224 -0.2849296 -0.7496567 9 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 10 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 11 S -1.2316163 -0.0026768 0.1995079 0.1162693 -0.7887358 -0.0475727 -0.0005274 -0.3402799 -0.6571003 12 S -1.2316163 0.0026768 0.1995079 -0.1162693 -0.7887358 0.0475727 -0.0005274 0.3402799 -0.6571003 13 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 14 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 15 S -1.3724923 0.2002815 0.1485177 0.3400821 -1.5044387 -0.0229440 0.2919244 0.0219263 -2.1837162 16 S -1.3724923 -0.2002815 0.1485177 -0.3400821 -1.5044387 0.0229440 0.2919244 -0.0219263 -2.1837162 17 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 18 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 19 Tl 2.2939196 0.2185133 0.2968383 0.1752549 2.4166123 -0.2171213 0.2943487 -0.1930667 1.8751712 20 Tl 2.2939196 -0.2185133 0.2968383 -0.1752549 2.4166123 0.2171213 0.2943487 0.1930667 1.8751712 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 8 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.677 ( 0.000 0.000 0.000) 0.000 0.800 ( 0.000 0.000 0.000) 0.000 0.802 ( 0.000 0.000 0.000) 0.000 0.888 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.511 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 18.598 ( 0.000 0.000 0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 0.000) 0.000 19.414 ( 0.000 0.000 0.000) 0.000 19.435 ( 0.000 0.000 0.000) 0.000 20.349 ( 0.000 0.000 0.000) 0.000 20.443 ( 0.000 0.000 0.000) 0.000 22.005 ( 0.000 0.000 0.000) 0.000 22.055 ( 0.000 0.000 0.000) 0.000 22.322 ( 0.000 0.000 0.000) 0.000 22.396 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 2.823 0.000 19.434) 19.638 0.311 ( 13.730 0.000 5.373) 14.744 0.496 ( 21.979 0.000 3.179) 22.208 0.627 ( -1.374 0.000 -3.900) 4.135 0.837 ( 1.402 0.000 -0.668) 1.553 0.839 ( 3.245 0.000 3.185) 4.547 0.897 ( 1.075 0.000 -0.867) 1.381 0.952 ( 1.601 0.000 3.734) 4.063 1.072 ( -0.097 0.000 0.693) 0.699 1.078 ( -0.483 0.000 -0.548) 0.730 1.125 ( -4.633 0.000 -4.591) 6.523 1.423 ( 4.213 0.000 0.344) 4.227 1.524 ( 2.570 0.000 -0.161) 2.575 1.731 ( 3.452 0.000 -0.794) 3.542 1.755 ( -1.481 0.000 3.833) 4.109 2.009 ( -1.885 0.000 1.209) 2.240 2.145 ( 2.294 0.000 -0.086) 2.296 2.188 ( 7.301 0.000 1.029) 7.374 2.771 ( 2.772 0.000 -5.369) 6.042 2.961 ( -7.169 0.000 -2.216) 7.503 3.861 ( 1.506 0.000 -1.930) 2.448 3.919 ( 3.078 0.000 0.349) 3.098 3.996 ( -1.996 0.000 3.018) 3.619 4.046 ( -1.094 0.000 0.280) 1.129 5.082 ( 1.609 0.000 0.728) 1.766 5.373 ( -0.502 0.000 1.456) 1.540 6.499 ( 2.546 0.000 -0.474) 2.589 6.593 ( 1.985 0.000 -0.767) 2.128 6.786 ( 2.939 0.000 -4.660) 5.509 6.904 ( 2.799 0.000 0.946) 2.955 7.184 ( -1.075 0.000 0.784) 1.330 7.231 ( 2.218 0.000 -1.997) 2.985 7.335 ( -1.298 0.000 1.999) 2.383 7.559 ( -2.335 0.000 2.275) 3.260 7.583 ( 3.004 0.000 -3.808) 4.851 7.647 ( 0.430 0.000 -0.220) 0.483 9.481 ( -0.407 0.000 -0.198) 0.453 9.508 ( -0.218 0.000 -0.156) 0.268 9.917 ( 0.300 0.000 0.418) 0.515 9.977 ( 0.412 0.000 0.397) 0.572 11.490 ( -1.113 0.000 -0.585) 1.258 11.582 ( -1.286 0.000 -0.376) 1.340 11.907 ( -0.835 0.000 -0.052) 0.837 11.929 ( 0.106 0.000 0.555) 0.565 14.169 ( 0.146 0.000 -0.112) 0.184 14.185 ( 0.394 0.000 -0.682) 0.788 14.599 ( 0.068 0.000 -0.057) 0.089 14.623 ( 0.125 0.000 -0.074) 0.145 18.607 ( 0.914 0.000 -0.002) 0.914 18.642 ( 0.191 0.000 0.468) 0.506 18.976 ( -1.307 0.000 0.951) 1.616 18.983 ( -0.688 0.000 0.387) 0.789 19.437 ( 1.926 0.000 -3.807) 4.267 19.469 ( 7.011 0.000 -14.463) 16.073 20.332 ( -1.611 0.000 -0.408) 1.662 20.424 ( -1.802 0.000 -0.203) 1.814 22.016 ( 0.470 0.000 1.249) 1.334 22.284 ( -5.616 0.000 11.957) 13.210 22.321 ( -0.247 0.000 0.373) 0.447 22.408 ( 0.566 0.000 1.346) 1.460 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 4.420 0.000 15.861) 16.465 0.504 ( 1.709 0.000 -0.764) 1.872 0.671 ( 9.941 0.000 2.484) 10.246 0.773 ( 6.040 0.000 3.231) 6.850 0.818 ( -1.648 0.000 -2.677) 3.143 0.863 ( -0.655 0.000 -1.474) 1.613 1.004 ( -3.110 0.000 -4.815) 5.732 1.026 ( 2.017 0.000 3.754) 4.261 1.028 ( 1.813 0.000 -0.238) 1.828 1.082 ( 0.116 0.000 1.570) 1.574 1.083 ( 9.340 0.000 4.626) 10.423 1.500 ( 4.540 0.000 -1.283) 4.718 1.582 ( 2.723 0.000 1.134) 2.950 1.716 ( -2.559 0.000 -2.841) 3.823 1.810 ( 3.355 0.000 1.498) 3.675 1.983 ( -2.174 0.000 1.881) 2.875 2.185 ( 1.968 0.000 -0.888) 2.159 2.393 ( 12.645 0.000 1.484) 12.732 2.764 ( -10.857 0.000 -3.053) 11.278 2.781 ( 2.716 0.000 -4.532) 5.284 3.891 ( 3.065 0.000 -1.413) 3.375 3.983 ( -1.235 0.000 0.941) 1.553 3.983 ( 3.759 0.000 -0.556) 3.800 4.025 ( -1.624 0.000 0.802) 1.811 5.123 ( 1.921 0.000 0.817) 2.087 5.380 ( -0.000 0.000 1.426) 1.426 6.553 ( 3.584 0.000 -0.765) 3.665 6.631 ( 2.881 0.000 -1.236) 3.135 6.811 ( 2.917 0.000 -2.644) 3.937 6.969 ( 2.837 0.000 1.170) 3.068 7.172 ( -0.798 0.000 0.816) 1.141 7.261 ( 2.574 0.000 -1.379) 2.921 7.326 ( -1.806 0.000 2.887) 3.405 7.513 ( -3.996 0.000 0.918) 4.100 7.616 ( 3.550 0.000 -3.042) 4.675 7.666 ( 1.649 0.000 -0.068) 1.651 9.469 ( -0.646 0.000 -0.358) 0.739 9.502 ( -0.184 0.000 -0.117) 0.218 9.926 ( 0.340 0.000 0.328) 0.473 9.992 ( 0.629 0.000 0.759) 0.985 11.460 ( -1.502 0.000 -0.603) 1.619 11.547 ( -1.989 0.000 -0.623) 2.085 11.890 ( -0.971 0.000 0.086) 0.974 11.934 ( -0.071 0.000 0.584) 0.588 14.171 ( 0.201 0.000 -0.132) 0.241 14.187 ( 0.236 0.000 -0.286) 0.371 14.599 ( 0.096 0.000 -0.087) 0.129 14.625 ( 0.178 0.000 -0.099) 0.204 18.628 ( 1.306 0.000 -0.154) 1.315 18.651 ( 0.167 0.000 0.805) 0.822 18.959 ( -1.870 0.000 2.174) 2.868 18.972 ( -1.325 0.000 1.692) 2.149 19.439 ( 2.266 0.000 -5.151) 5.627 19.479 ( 3.497 0.000 -6.650) 7.514 20.289 ( -2.374 0.000 -0.661) 2.464 20.381 ( -2.418 0.000 -0.211) 2.427 22.036 ( 0.320 0.000 1.487) 1.521 22.280 ( -2.691 0.000 5.737) 6.337 22.321 ( -0.204 0.000 0.681) 0.711 22.434 ( 0.730 0.000 1.783) 1.927 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.139 0.000 -1.096) 1.105 0.640 ( 5.525 0.000 11.284) 12.564 0.730 ( -3.378 0.000 -2.969) 4.497 0.814 ( -0.497 0.000 -1.871) 1.936 0.871 ( 4.209 0.000 1.828) 4.589 0.885 ( 1.858 0.000 2.158) 2.848 0.976 ( 4.505 0.000 -1.125) 4.644 0.998 ( -1.755 0.000 0.737) 1.904 1.072 ( 1.069 0.000 0.623) 1.237 1.101 ( -0.236 0.000 2.672) 2.682 1.311 ( 7.142 0.000 2.799) 7.671 1.565 ( 3.651 0.000 -1.485) 3.941 1.620 ( 0.269 0.000 -2.600) 2.614 1.640 ( -1.604 0.000 -0.034) 1.605 1.866 ( 1.758 0.000 0.306) 1.785 1.968 ( -1.117 0.000 2.395) 2.642 2.179 ( -1.351 0.000 -2.960) 3.254 2.564 ( -7.386 0.000 -1.442) 7.525 2.621 ( 9.723 0.000 1.333) 9.814 2.789 ( 1.467 0.000 -3.378) 3.683 3.936 ( 2.361 0.000 -0.597) 2.436 3.969 ( -0.587 0.000 -0.079) 0.593 4.006 ( -1.177 0.000 1.025) 1.561 4.039 ( 2.599 0.000 -0.630) 2.674 5.157 ( 1.060 0.000 0.405) 1.135 5.395 ( 0.326 0.000 1.039) 1.089 6.607 ( 2.660 0.000 -0.644) 2.737 6.669 ( 2.049 0.000 -0.963) 2.264 6.841 ( 1.899 0.000 -1.355) 2.333 7.016 ( 1.292 0.000 0.814) 1.527 7.170 ( -0.033 0.000 0.353) 0.354 7.297 ( 1.918 0.000 -0.609) 2.012 7.323 ( -0.650 0.000 2.353) 2.442 7.440 ( -3.900 0.000 -0.005) 3.900 7.656 ( 2.599 0.000 -1.550) 3.026 7.695 ( 1.228 0.000 -0.044) 1.229 9.455 ( -0.517 0.000 -0.299) 0.597 9.500 ( -0.031 0.000 -0.019) 0.036 9.934 ( 0.257 0.000 0.135) 0.290 10.008 ( 0.412 0.000 0.597) 0.725 11.432 ( -0.927 0.000 -0.306) 0.976 11.507 ( -1.591 0.000 -0.538) 1.679 11.875 ( -0.661 0.000 0.080) 0.666 11.936 ( -0.085 0.000 0.364) 0.373 14.174 ( 0.144 0.000 -0.075) 0.162 14.188 ( 0.124 0.000 -0.135) 0.183 14.600 ( 0.067 0.000 -0.065) 0.094 14.627 ( 0.127 0.000 -0.066) 0.143 18.648 ( 1.080 0.000 -0.433) 1.164 18.659 ( -0.104 0.000 0.889) 0.895 18.947 ( -1.203 0.000 1.739) 2.115 18.965 ( -0.926 0.000 1.466) 1.734 19.436 ( 1.337 0.000 -3.494) 3.741 19.485 ( 1.703 0.000 -3.338) 3.747 20.244 ( -1.722 0.000 -0.508) 1.795 20.341 ( -1.645 0.000 -0.119) 1.649 22.049 ( -0.024 0.000 0.868) 0.868 22.280 ( -1.156 0.000 2.762) 2.994 22.324 ( -0.081 0.000 0.543) 0.549 22.459 ( 0.503 0.000 1.223) 1.322 ======================= Grid point 4 (5/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 0.000 0.000) 0.000 0.677 ( 0.000 0.000 0.000) 0.000 0.769 ( -0.000 0.000 -0.000) 0.000 0.783 ( 0.000 0.000 0.000) 0.000 0.894 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 -0.000) 0.000 1.053 ( 0.000 0.000 -0.000) 0.000 1.083 ( -0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 -0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 -0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 -0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 -0.000) 0.000 7.030 ( 0.000 0.000 -0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 -0.000) 0.000 7.394 ( 0.000 0.000 -0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 -0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 -0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.628 ( 0.000 0.000 0.000) 0.000 18.658 ( -0.000 0.000 0.000) 0.000 18.661 ( 0.000 0.000 -0.000) 0.000 18.943 ( 0.000 0.000 -0.000) 0.000 18.962 ( 0.000 0.000 -0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 19.487 ( 0.000 0.000 0.000) 0.000 20.225 ( 0.000 0.000 0.000) 0.000 20.325 ( 0.000 0.000 0.000) 0.000 22.052 ( 0.000 0.000 0.000) 0.000 22.282 ( 0.000 0.000 0.000) 0.000 22.326 ( 0.000 0.000 0.000) 0.000 22.469 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/126) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.000 12.850 0.000) 12.850 0.321 ( 0.000 14.009 0.000) 14.009 0.513 ( 0.000 17.641 0.000) 17.641 0.718 ( 0.000 -0.748 0.000) 0.748 0.748 ( 0.000 -4.377 0.000) 4.377 0.803 ( 0.000 0.059 0.000) 0.059 0.882 ( 0.000 0.275 0.000) 0.275 0.970 ( 0.000 3.324 0.000) 3.324 1.066 ( 0.000 -0.436 0.000) 0.436 1.092 ( 0.000 1.361 0.000) 1.361 1.125 ( 0.000 -5.862 0.000) 5.862 1.370 ( 0.000 -4.064 0.000) 4.064 1.666 ( 0.000 3.028 0.000) 3.028 1.666 ( 0.000 -1.562 0.000) 1.562 1.749 ( 0.000 -1.788 0.000) 1.788 1.830 ( 0.000 1.602 0.000) 1.602 2.025 ( 0.000 0.048 0.000) 0.048 2.075 ( 0.000 -3.367 0.000) 3.367 2.829 ( 0.000 2.947 0.000) 2.947 2.996 ( 0.000 -3.588 0.000) 3.588 3.861 ( 0.000 -0.713 0.000) 0.713 3.862 ( 0.000 -0.878 0.000) 0.878 4.009 ( 0.000 1.743 0.000) 1.743 4.056 ( 0.000 -0.106 0.000) 0.106 5.104 ( 0.000 3.729 0.000) 3.729 5.320 ( 0.000 -4.140 0.000) 4.140 6.544 ( 0.000 0.530 0.000) 0.530 6.571 ( 0.000 -0.495 0.000) 0.495 6.742 ( 0.000 2.100 0.000) 2.100 6.849 ( 0.000 -1.868 0.000) 1.868 7.186 ( 0.000 0.163 0.000) 0.163 7.207 ( 0.000 -0.721 0.000) 0.721 7.445 ( 0.000 2.995 0.000) 2.995 7.564 ( 0.000 -0.950 0.000) 0.950 7.582 ( 0.000 0.377 0.000) 0.377 7.625 ( 0.000 -1.728 0.000) 1.728 9.486 ( 0.000 0.474 0.000) 0.474 9.507 ( 0.000 -0.314 0.000) 0.314 9.923 ( 0.000 0.759 0.000) 0.759 9.964 ( 0.000 -0.730 0.000) 0.730 11.517 ( 0.000 1.189 0.000) 1.189 11.582 ( 0.000 -1.211 0.000) 1.211 11.920 ( 0.000 0.020 0.000) 0.020 11.921 ( 0.000 -0.018 0.000) 0.018 14.169 ( 0.000 0.066 0.000) 0.066 14.173 ( 0.000 -0.075 0.000) 0.075 14.602 ( 0.000 0.346 0.000) 0.346 14.621 ( 0.000 -0.336 0.000) 0.336 18.607 ( 0.000 0.472 0.000) 0.472 18.633 ( 0.000 -0.462 0.000) 0.462 18.984 ( 0.000 0.064 0.000) 0.064 18.987 ( 0.000 -0.052 0.000) 0.052 19.417 ( 0.000 0.219 0.000) 0.219 19.431 ( 0.000 -0.305 0.000) 0.305 20.445 ( 0.000 0.172 0.000) 0.172 20.453 ( 0.000 -0.118 0.000) 0.118 22.013 ( 0.000 0.642 0.000) 0.642 22.047 ( 0.000 -0.634 0.000) 0.634 22.334 ( 0.000 0.932 0.000) 0.932 22.386 ( 0.000 -0.938 0.000) 0.938 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 1.205 9.176 4.998) 10.518 0.450 ( 7.699 8.538 3.753) 12.093 0.589 ( 1.135 0.249 -0.380) 1.223 0.707 ( 3.864 4.707 0.894) 6.155 0.797 ( 4.236 -0.840 0.457) 4.343 0.849 ( 3.085 0.330 0.709) 3.183 0.870 ( 2.114 2.396 0.195) 3.201 1.000 ( 1.814 3.481 2.789) 4.815 1.066 ( -0.083 -0.431 0.286) 0.524 1.098 ( 0.880 1.810 0.360) 2.044 1.178 ( -0.442 -0.719 -0.506) 0.984 1.433 ( 4.242 -4.298 2.359) 6.484 1.573 ( -0.784 6.590 -3.785) 7.640 1.711 ( 0.400 -2.668 2.684) 3.806 1.755 ( 1.895 1.954 -1.343) 3.035 1.976 ( 8.571 -6.426 1.110) 10.770 2.021 ( -0.408 0.230 -0.411) 0.623 2.166 ( 8.933 -5.008 0.044) 10.241 2.756 ( -4.053 2.428 -1.280) 4.894 2.949 ( -4.657 -3.059 -2.193) 5.988 3.860 ( 1.675 0.075 -1.425) 2.201 3.899 ( 2.446 -1.467 0.519) 2.899 4.011 ( -0.577 1.301 1.253) 1.896 4.047 ( -1.058 -0.024 0.399) 1.131 5.119 ( 1.270 3.475 0.846) 3.795 5.325 ( 0.067 -4.041 1.034) 4.172 6.535 ( 1.071 1.972 -0.894) 2.416 6.589 ( 2.127 -0.506 -1.086) 2.441 6.780 ( 3.329 0.739 -1.728) 3.823 6.876 ( 2.536 -2.202 0.377) 3.379 7.183 ( -0.465 0.294 0.544) 0.773 7.218 ( 1.597 -0.970 -1.077) 2.156 7.408 ( -3.435 4.366 2.299) 6.013 7.548 ( -2.973 -1.328 2.844) 4.323 7.594 ( 3.082 0.674 -4.403) 5.417 7.633 ( 1.538 -1.090 -1.224) 2.248 9.484 ( -0.318 0.286 -0.131) 0.448 9.502 ( -0.234 -0.395 -0.484) 0.668 9.927 ( 0.314 0.894 0.438) 1.044 9.972 ( 0.429 -0.661 0.564) 0.969 11.503 ( -1.164 1.158 -0.494) 1.715 11.568 ( -1.278 -1.215 -0.392) 1.807 11.910 ( -0.720 0.293 0.069) 0.781 11.926 ( -0.038 -0.279 0.468) 0.546 14.170 ( 0.163 0.093 -0.084) 0.206 14.179 ( 0.434 -0.317 -0.189) 0.569 14.602 ( 0.074 0.346 -0.064) 0.360 14.620 ( 0.069 -0.279 -0.104) 0.305 18.614 ( 0.734 0.504 0.022) 0.891 18.638 ( 0.292 -0.407 0.391) 0.636 18.976 ( -1.325 0.060 1.244) 1.818 18.982 ( -0.960 -0.110 0.919) 1.334 19.432 ( 2.621 -0.227 -4.420) 5.143 19.447 ( 3.966 -0.882 -5.371) 6.734 20.383 ( -3.523 2.306 -2.142) 4.724 20.425 ( -2.202 -0.084 -0.243) 2.217 22.027 ( 0.713 1.112 1.736) 2.181 22.152 ( 2.097 -5.998 8.154) 10.337 22.337 ( -0.130 1.122 0.846) 1.412 22.396 ( 0.465 -1.071 1.262) 1.719 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 4.909 1.171 8.920) 10.249 0.533 ( -1.114 0.725 2.175) 2.549 0.650 ( 7.013 0.635 2.443) 7.453 0.793 ( 2.088 0.100 -0.251) 2.106 0.819 ( 1.430 -1.269 1.371) 2.353 0.833 ( -1.274 0.145 -1.431) 1.921 1.026 ( 2.235 0.780 1.421) 2.760 1.038 ( 0.317 0.873 -0.666) 1.143 1.085 ( -0.318 2.213 -0.455) 2.281 1.117 ( -1.860 3.841 -0.447) 4.292 1.171 ( 9.174 7.196 4.285) 12.422 1.525 ( 3.624 -4.202 2.041) 5.912 1.573 ( 2.274 4.326 -2.317) 5.409 1.708 ( -1.512 -1.202 -1.548) 2.475 1.788 ( 2.047 0.234 -0.006) 2.060 1.999 ( -1.610 -0.438 -0.467) 1.733 2.128 ( 6.414 -2.250 0.795) 6.843 2.350 ( 9.557 -6.087 0.552) 11.345 2.688 ( -2.504 0.754 -1.438) 2.984 2.834 ( -2.998 -0.625 -3.958) 5.005 3.894 ( 2.781 0.409 -0.934) 2.962 3.946 ( 1.715 -1.715 0.428) 2.462 4.014 ( 0.668 1.135 0.008) 1.317 4.029 ( -1.206 0.293 0.617) 1.386 5.157 ( 1.727 3.092 1.114) 3.713 5.340 ( 0.377 -3.519 1.430) 3.817 6.570 ( 3.099 1.454 -1.045) 3.580 6.627 ( 3.000 -0.517 -1.429) 3.363 6.823 ( 2.967 1.213 -1.791) 3.672 6.931 ( 2.574 -2.933 0.647) 3.956 7.181 ( -0.138 0.924 0.487) 1.054 7.245 ( 2.132 -1.393 -0.899) 2.701 7.374 ( -2.788 3.595 2.963) 5.429 7.499 ( -4.143 -1.405 1.558) 4.644 7.625 ( 3.488 0.727 -3.038) 4.682 7.660 ( 2.261 -0.564 -1.007) 2.539 9.472 ( -0.582 0.311 -0.386) 0.765 9.494 ( -0.185 -0.601 -0.257) 0.679 9.938 ( 0.404 1.041 0.446) 1.202 9.986 ( 0.519 -0.634 0.722) 1.092 11.472 ( -1.580 1.080 -0.591) 2.004 11.533 ( -1.924 -1.165 -0.610) 2.330 11.896 ( -0.845 0.576 0.171) 1.037 11.927 ( -0.204 -0.561 0.518) 0.791 14.173 ( 0.217 0.138 -0.111) 0.280 14.183 ( 0.269 -0.266 -0.185) 0.421 14.604 ( 0.106 0.353 -0.094) 0.380 14.622 ( 0.153 -0.302 -0.109) 0.356 18.632 ( 1.119 0.337 -0.032) 1.169 18.648 ( 0.328 -0.270 0.660) 0.785 18.960 ( -1.798 0.155 2.144) 2.803 18.970 ( -1.425 -0.187 1.813) 2.313 19.441 ( 2.421 0.217 -4.834) 5.410 19.468 ( 3.204 -0.817 -5.450) 6.375 20.312 ( -2.906 1.778 -1.006) 3.552 20.375 ( -2.704 -0.692 -0.406) 2.821 22.056 ( 0.514 1.887 1.988) 2.789 22.214 ( -0.527 -4.676 4.761) 6.694 22.344 ( -0.116 1.559 1.352) 2.066 22.419 ( 0.614 -1.323 1.711) 2.249 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.766 1.268 0.190) 1.493 0.634 ( 3.516 -3.104 8.202) 9.449 0.749 ( -1.522 2.191 -0.104) 2.670 0.774 ( 2.485 1.546 -0.827) 3.041 0.837 ( 3.398 -2.622 1.345) 4.498 0.914 ( 3.591 -0.302 3.084) 4.743 0.997 ( -1.678 2.255 -2.615) 3.839 1.016 ( -1.806 1.508 -0.222) 2.363 1.065 ( 0.975 -0.724 0.009) 1.214 1.107 ( -2.478 -0.029 0.797) 2.603 1.388 ( 8.002 5.502 3.770) 10.416 1.582 ( 1.275 -0.933 -1.883) 2.458 1.596 ( 1.270 -0.562 0.788) 1.597 1.655 ( -1.299 2.085 -2.609) 3.584 1.820 ( 1.429 -2.206 0.002) 2.628 1.958 ( -2.395 -2.633 -0.167) 3.563 2.199 ( 1.222 2.480 -0.497) 2.809 2.442 ( -0.457 -7.489 0.153) 7.504 2.691 ( 4.577 3.807 -0.114) 5.954 2.799 ( 1.278 0.000 -3.191) 3.437 3.934 ( 1.680 0.007 -0.044) 1.680 3.960 ( -0.168 -0.794 0.259) 0.852 4.017 ( -0.416 0.897 0.379) 1.059 4.041 ( 1.918 0.011 -0.613) 2.014 5.191 ( 1.032 3.060 0.682) 3.301 5.359 ( 0.479 -3.095 1.085) 3.315 6.617 ( 2.508 1.018 -0.799) 2.822 6.667 ( 2.222 -0.392 -1.077) 2.500 6.856 ( 1.807 1.371 -1.024) 2.489 6.971 ( 1.125 -3.450 0.557) 3.671 7.187 ( 0.318 1.525 0.234) 1.575 7.276 ( 1.645 -1.755 -0.454) 2.447 7.356 ( -1.295 2.418 2.133) 3.475 7.433 ( -3.582 -0.738 0.437) 3.683 7.663 ( 2.466 0.610 -1.459) 2.930 7.691 ( 1.511 -0.371 -0.450) 1.620 9.459 ( -0.435 0.444 -0.295) 0.688 9.491 ( -0.067 -0.754 -0.082) 0.761 9.947 ( 0.268 1.161 0.214) 1.210 10.000 ( 0.349 -0.770 0.529) 0.998 11.443 ( -1.026 0.913 -0.335) 1.414 11.495 ( -1.498 -1.006 -0.500) 1.873 11.884 ( -0.575 0.804 0.125) 0.996 11.927 ( -0.167 -0.782 0.324) 0.863 14.176 ( 0.147 0.158 -0.070) 0.227 14.186 ( 0.137 -0.216 -0.108) 0.278 14.605 ( 0.075 0.364 -0.068) 0.378 14.624 ( 0.115 -0.329 -0.070) 0.356 18.650 ( 0.902 0.165 -0.244) 0.948 18.658 ( 0.067 -0.122 0.694) 0.708 18.949 ( -1.163 0.213 1.695) 2.066 18.962 ( -0.970 -0.248 1.505) 1.807 19.441 ( 1.405 0.525 -3.318) 3.641 19.476 ( 1.656 -0.753 -3.204) 3.685 20.261 ( -1.837 1.446 -0.521) 2.395 20.329 ( -1.768 -1.075 -0.227) 2.081 22.074 ( 0.064 2.342 1.137) 2.604 22.230 ( -0.545 -3.688 2.226) 4.342 22.353 ( -0.035 1.957 0.989) 2.193 22.442 ( 0.426 -1.526 1.186) 1.979 ======================= Grid point 13 (10/126) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 2.783 0.000) 2.783 0.678 ( 0.000 -2.984 0.000) 2.984 0.722 ( 0.000 0.436 0.000) 0.436 0.827 ( 0.000 4.588 0.000) 4.588 0.897 ( 0.000 -1.656 0.000) 1.656 0.941 ( -0.000 1.485 -0.000) 1.485 1.004 ( 0.000 -5.337 -0.000) 5.337 1.005 ( -0.000 1.616 0.000) 1.616 1.049 ( -0.000 -1.132 -0.000) 1.132 1.075 ( 0.000 -0.839 -0.000) 0.839 1.484 ( 0.000 7.167 0.000) 7.167 1.586 ( 0.000 -1.960 0.000) 1.960 1.597 ( -0.000 -0.547 -0.000) 0.547 1.637 ( 0.000 1.647 0.000) 1.647 1.837 ( 0.000 -2.735 0.000) 2.735 1.926 ( 0.000 -4.207 0.000) 4.207 2.198 ( 0.000 4.920 0.000) 4.920 2.427 ( 0.000 -5.126 0.000) 5.126 2.759 ( 0.000 1.575 0.000) 1.575 2.792 ( 0.000 1.198 0.000) 1.198 3.950 ( 0.000 -0.353 -0.000) 0.353 3.957 ( 0.000 -0.466 0.000) 0.466 4.017 ( 0.000 1.259 0.000) 1.259 4.058 ( 0.000 -0.390 0.000) 0.390 5.204 ( 0.000 3.130 0.000) 3.130 5.369 ( 0.000 -2.973 -0.000) 2.973 6.638 ( 0.000 0.885 0.000) 0.885 6.684 ( 0.000 -0.272 0.000) 0.272 6.869 ( 0.000 1.352 -0.000) 1.352 6.983 ( 0.000 -3.625 -0.000) 3.625 7.192 ( 0.000 1.739 0.000) 1.739 7.290 ( 0.000 -1.901 0.000) 1.901 7.359 ( 0.000 1.596 -0.000) 1.596 7.394 ( 0.000 -0.068 -0.000) 0.068 7.681 ( 0.000 0.507 0.000) 0.507 7.703 ( 0.000 -0.266 0.000) 0.266 9.454 ( 0.000 0.528 0.000) 0.528 9.490 ( 0.000 -0.825 -0.000) 0.825 9.951 ( 0.000 1.193 0.000) 1.193 10.006 ( 0.000 -0.835 0.000) 0.835 11.432 ( 0.000 0.799 -0.000) 0.799 11.478 ( 0.000 -0.896 0.000) 0.896 11.879 ( 0.000 0.893 0.000) 0.893 11.927 ( 0.000 -0.866 0.000) 0.866 14.177 ( 0.000 0.159 0.000) 0.159 14.187 ( 0.000 -0.200 -0.000) 0.200 14.605 ( 0.000 0.370 0.000) 0.370 14.624 ( 0.000 -0.339 0.000) 0.339 18.658 ( -0.000 0.067 0.000) 0.067 18.661 ( 0.000 -0.029 -0.000) 0.029 18.946 ( 0.000 0.227 -0.000) 0.227 18.959 ( 0.000 -0.268 -0.000) 0.268 19.440 ( 0.000 0.628 0.000) 0.628 19.478 ( 0.000 -0.764 0.000) 0.764 20.241 ( 0.000 1.395 -0.000) 1.395 20.311 ( 0.000 -1.191 0.000) 1.191 22.079 ( 0.000 2.485 0.000) 2.485 22.234 ( 0.000 -3.474 0.000) 3.474 22.357 ( 0.000 2.108 0.000) 2.108 22.451 ( 0.000 -1.604 0.000) 1.604 ======================= Grid point 18 (11/126) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 -8.311 0.000) 8.311 0.530 ( 0.000 8.311 0.000) 8.311 0.583 ( 0.000 -10.079 0.000) 10.079 0.583 ( 0.000 10.079 0.000) 10.079 0.799 ( 0.000 -1.040 0.000) 1.040 0.799 ( 0.000 1.040 0.000) 1.040 0.984 ( 0.000 -7.486 0.000) 7.486 0.984 ( 0.000 7.486 0.000) 7.486 1.045 ( 0.000 -2.021 0.000) 2.021 1.045 ( 0.000 2.021 0.000) 2.021 1.198 ( 0.000 -9.667 0.000) 9.667 1.198 ( 0.000 9.667 0.000) 9.667 1.663 ( 0.000 -1.299 0.000) 1.299 1.663 ( 0.000 1.299 0.000) 1.299 1.803 ( 0.000 -4.162 0.000) 4.162 1.803 ( 0.000 4.162 0.000) 4.162 2.027 ( 0.000 -0.585 0.000) 0.585 2.027 ( 0.000 0.585 0.000) 0.585 2.908 ( 0.000 -4.176 0.000) 4.176 2.908 ( 0.000 4.176 0.000) 4.176 3.851 ( 0.000 -0.011 0.000) 0.011 3.851 ( 0.000 0.011 0.000) 0.011 4.044 ( 0.000 -1.177 0.000) 1.177 4.044 ( 0.000 1.177 0.000) 1.177 5.209 ( 0.000 -5.603 0.000) 5.603 5.209 ( 0.000 5.603 0.000) 5.603 6.558 ( 0.000 -0.714 0.000) 0.714 6.558 ( 0.000 0.714 0.000) 0.714 6.797 ( 0.000 -2.734 0.000) 2.734 6.797 ( 0.000 2.734 0.000) 2.734 7.193 ( 0.000 -0.523 0.000) 0.523 7.193 ( 0.000 0.523 0.000) 0.523 7.518 ( 0.000 -3.253 0.000) 3.253 7.518 ( 0.000 3.253 0.000) 3.253 7.595 ( 0.000 -0.878 0.000) 0.878 7.595 ( 0.000 0.878 0.000) 0.878 9.498 ( 0.000 -0.550 0.000) 0.550 9.498 ( 0.000 0.550 0.000) 0.550 9.943 ( 0.000 -1.052 0.000) 1.052 9.943 ( 0.000 1.052 0.000) 1.052 11.549 ( 0.000 -1.698 0.000) 1.698 11.549 ( 0.000 1.698 0.000) 1.698 11.920 ( 0.000 -0.027 0.000) 0.027 11.920 ( 0.000 0.027 0.000) 0.027 14.171 ( 0.000 -0.100 0.000) 0.100 14.171 ( 0.000 0.100 0.000) 0.100 14.611 ( 0.000 -0.482 0.000) 0.482 14.611 ( 0.000 0.482 0.000) 0.482 18.620 ( 0.000 -0.660 0.000) 0.660 18.620 ( 0.000 0.660 0.000) 0.660 18.985 ( 0.000 -0.082 0.000) 0.082 18.985 ( 0.000 0.082 0.000) 0.082 19.423 ( 0.000 -0.370 0.000) 0.370 19.423 ( 0.000 0.370 0.000) 0.370 20.449 ( 0.000 -0.207 0.000) 0.207 20.449 ( 0.000 0.207 0.000) 0.207 22.030 ( 0.000 -0.902 0.000) 0.902 22.030 ( 0.000 0.902 0.000) 0.902 22.360 ( 0.000 -1.323 0.000) 1.323 22.360 ( 0.000 1.323 0.000) 1.323 ======================= Grid point 20 (12/126) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -2.441 -7.197 -0.133) 7.601 0.501 ( -2.441 7.197 -0.133) 7.601 0.630 ( 3.498 -7.415 2.312) 8.518 0.630 ( 3.498 7.415 2.312) 8.518 0.820 ( 2.344 -1.488 -1.175) 3.015 0.820 ( 2.344 1.488 -1.175) 3.015 1.039 ( 1.644 -4.019 -0.219) 4.348 1.039 ( 1.644 4.019 -0.219) 4.348 1.065 ( 2.727 -3.632 3.623) 5.810 1.065 ( 2.727 3.632 3.623) 5.810 1.260 ( 4.359 -9.670 2.173) 10.827 1.260 ( 4.359 9.670 2.173) 10.827 1.660 ( 0.005 -2.042 -1.129) 2.334 1.660 ( 0.005 2.042 -1.129) 2.334 1.856 ( 4.988 -5.966 -1.050) 7.847 1.856 ( 4.988 5.966 -1.050) 7.847 2.058 ( 4.113 -3.542 0.170) 5.430 2.058 ( 4.113 3.542 0.170) 5.430 2.850 ( -4.553 -5.295 -1.413) 7.125 2.850 ( -4.553 5.295 -1.413) 7.125 3.871 ( 2.057 -0.968 -0.192) 2.281 3.871 ( 2.057 0.968 -0.192) 2.281 4.038 ( -0.731 -0.920 0.473) 1.267 4.038 ( -0.731 0.920 0.473) 1.267 5.219 ( 0.661 -5.357 0.882) 5.469 5.219 ( 0.661 5.357 0.882) 5.469 6.570 ( 1.776 -1.258 -1.007) 2.398 6.570 ( 1.776 1.258 -1.007) 2.398 6.821 ( 2.466 -2.604 -0.447) 3.615 6.821 ( 2.466 2.604 -0.447) 3.615 7.197 ( 0.523 -0.894 -0.154) 1.047 7.197 ( 0.523 0.894 -0.154) 1.047 7.495 ( -3.468 -3.514 3.002) 5.778 7.495 ( -3.468 3.514 3.002) 5.778 7.611 ( 2.851 -0.910 -3.074) 4.290 7.611 ( 2.851 0.910 -3.074) 4.290 9.492 ( -0.341 -0.465 -0.405) 0.705 9.492 ( -0.341 0.465 -0.405) 0.705 9.951 ( 0.440 -1.186 0.568) 1.387 9.951 ( 0.440 1.186 0.568) 1.387 11.535 ( -1.242 -1.686 -0.431) 2.138 11.535 ( -1.242 1.686 -0.431) 2.138 11.918 ( -0.381 -0.401 0.277) 0.618 11.918 ( -0.381 0.401 0.277) 0.618 14.173 ( 0.244 -0.194 -0.066) 0.319 14.173 ( 0.244 0.194 -0.066) 0.319 14.612 ( 0.079 -0.471 -0.083) 0.485 14.612 ( 0.079 0.471 -0.083) 0.485 18.626 ( 0.525 -0.599 0.206) 0.823 18.626 ( 0.525 0.599 0.206) 0.823 18.979 ( -1.223 -0.141 1.246) 1.752 18.979 ( -1.223 0.141 1.246) 1.752 19.434 ( 2.555 -0.382 -3.486) 4.339 19.434 ( 2.555 0.382 -3.486) 4.339 20.415 ( -2.762 -0.909 -1.051) 3.092 20.415 ( -2.762 0.909 -1.051) 3.092 22.066 ( 1.534 -2.620 3.548) 4.670 22.066 ( 1.534 2.620 3.548) 4.670 22.366 ( 0.197 -1.529 1.057) 1.869 22.366 ( 0.197 1.529 1.057) 1.869 ======================= Grid point 22 (13/126) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.531 -3.212 2.747) 4.260 0.488 ( 0.531 3.212 2.747) 4.260 0.735 ( 4.064 -4.997 5.101) 8.216 0.735 ( 4.064 4.997 5.101) 8.216 0.822 ( -0.084 -1.043 -2.322) 2.547 0.822 ( -0.084 1.043 -2.322) 2.547 1.041 ( 0.121 -0.404 -0.735) 0.847 1.041 ( 0.121 0.404 -0.735) 0.847 1.135 ( -0.415 -1.593 0.982) 1.917 1.135 ( -0.415 1.593 0.982) 1.917 1.368 ( 6.116 -9.366 2.257) 11.412 1.368 ( 6.116 9.366 2.257) 11.412 1.653 ( 0.324 -3.016 -1.024) 3.202 1.653 ( 0.324 3.016 -1.024) 3.202 1.894 ( 0.313 -7.434 -2.282) 7.782 1.894 ( 0.313 7.434 -2.282) 7.782 2.190 ( 7.592 -6.654 1.417) 10.194 2.190 ( 7.592 6.654 1.417) 10.194 2.767 ( -1.651 -4.657 -2.257) 5.432 2.767 ( -1.651 4.657 -2.257) 5.432 3.912 ( 2.242 -1.292 -0.003) 2.588 3.912 ( 2.242 1.292 -0.003) 2.588 4.030 ( -0.299 -0.339 0.227) 0.506 4.030 ( -0.299 0.339 0.227) 0.506 5.246 ( 1.106 -4.745 1.395) 5.068 5.246 ( 1.106 4.745 1.395) 5.068 6.605 ( 2.986 -1.525 -1.412) 3.638 6.605 ( 2.986 1.525 -1.412) 3.638 6.866 ( 2.580 -2.737 -0.499) 3.794 6.866 ( 2.580 2.737 -0.499) 3.794 7.210 ( 1.055 -1.644 -0.135) 1.958 7.210 ( 1.055 1.644 -0.135) 1.958 7.450 ( -3.829 -3.125 2.630) 5.599 7.450 ( -3.829 3.125 2.630) 5.599 7.644 ( 3.134 -0.929 -2.428) 4.072 7.644 ( 3.134 0.929 -2.428) 4.072 9.482 ( -0.389 -0.541 -0.406) 0.781 9.482 ( -0.389 0.541 -0.406) 0.781 9.965 ( 0.474 -1.271 0.631) 1.496 9.965 ( 0.474 1.271 0.631) 1.496 11.502 ( -1.764 -1.596 -0.592) 2.451 11.502 ( -1.764 1.596 -0.592) 2.451 11.912 ( -0.526 -0.803 0.352) 1.023 11.912 ( -0.526 0.803 0.352) 1.023 14.177 ( 0.253 -0.258 -0.104) 0.376 14.177 ( 0.253 0.258 -0.104) 0.376 14.613 ( 0.126 -0.474 -0.107) 0.502 14.613 ( 0.126 0.474 -0.107) 0.502 18.641 ( 0.717 -0.414 0.307) 0.883 18.641 ( 0.717 0.414 0.307) 0.883 18.965 ( -1.626 -0.250 2.014) 2.600 18.965 ( -1.626 0.250 2.014) 2.600 19.451 ( 2.713 -0.713 -4.567) 5.360 19.451 ( 2.713 0.713 -4.567) 5.360 20.350 ( -3.066 -1.576 -0.860) 3.553 20.350 ( -3.066 1.576 -0.860) 3.553 22.118 ( 0.671 -3.832 3.296) 5.099 22.118 ( 0.671 3.832 3.296) 5.099 22.383 ( 0.304 -1.927 1.540) 2.486 22.383 ( 0.304 1.927 1.540) 2.486 ======================= Grid point 24 (14/126) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.594 -3.056 3.184) 5.119 0.552 ( 2.594 3.056 3.184) 5.119 0.792 ( -0.133 -1.742 -0.497) 1.816 0.792 ( -0.133 1.742 -0.497) 1.816 0.861 ( 3.934 -4.301 4.045) 7.095 0.861 ( 3.934 4.301 4.045) 7.095 1.037 ( -0.746 -1.060 -0.038) 1.297 1.037 ( -0.746 1.060 -0.038) 1.297 1.074 ( -3.529 -2.650 -2.527) 5.086 1.074 ( -3.529 2.650 -2.527) 5.086 1.499 ( 5.212 -4.679 1.846) 7.243 1.499 ( 5.212 4.679 1.846) 7.243 1.648 ( -0.314 -3.070 -0.727) 3.171 1.648 ( -0.314 3.070 -0.727) 3.171 1.858 ( -1.555 -5.297 -1.847) 5.821 1.858 ( -1.555 5.297 -1.847) 5.821 2.292 ( 2.136 -5.987 1.024) 6.439 2.292 ( 2.136 5.987 1.024) 6.439 2.767 ( 2.781 -2.905 -1.834) 4.420 2.767 ( 2.781 2.905 -1.834) 4.420 3.942 ( 0.650 -0.712 0.436) 1.058 3.942 ( 0.650 0.712 0.436) 1.058 4.035 ( 0.761 -0.594 -0.319) 1.017 4.035 ( 0.761 0.594 -0.319) 1.017 5.275 ( 0.814 -4.346 1.037) 4.542 5.275 ( 0.814 4.346 1.037) 4.542 6.647 ( 2.407 -1.447 -1.069) 3.005 6.647 ( 2.407 1.447 -1.069) 3.005 6.900 ( 1.311 -2.744 -0.215) 3.048 6.900 ( 1.311 2.744 -0.215) 3.048 7.230 ( 1.023 -2.299 -0.082) 2.517 7.230 ( 1.023 2.299 -0.082) 2.517 7.405 ( -2.601 -1.890 1.407) 3.510 7.405 ( -2.601 1.890 1.407) 3.510 7.679 ( 2.065 -0.736 -1.111) 2.458 7.679 ( 2.065 0.736 -1.111) 2.458 9.473 ( -0.235 -0.799 -0.220) 0.861 9.473 ( -0.235 0.799 -0.220) 0.861 9.976 ( 0.291 -1.369 0.380) 1.451 9.976 ( 0.291 1.369 0.380) 1.451 11.468 ( -1.267 -1.364 -0.413) 1.907 11.468 ( -1.267 1.364 -0.413) 1.907 11.906 ( -0.369 -1.121 0.227) 1.202 11.906 ( -0.369 1.121 0.227) 1.202 14.180 ( 0.149 -0.259 -0.074) 0.308 14.180 ( 0.149 0.259 -0.074) 0.308 14.614 ( 0.094 -0.492 -0.072) 0.506 14.614 ( 0.094 0.492 -0.072) 0.506 18.654 ( 0.481 -0.200 0.223) 0.567 18.654 ( 0.481 0.200 0.223) 0.567 18.955 ( -1.068 -0.329 1.596) 1.949 18.955 ( -1.068 0.329 1.596) 1.949 19.457 ( 1.537 -0.912 -3.116) 3.592 19.457 ( 1.537 0.912 -3.116) 3.592 20.297 ( -1.911 -1.766 -0.428) 2.637 20.297 ( -1.911 1.766 -0.428) 2.637 22.144 ( 0.024 -3.950 1.724) 4.310 22.144 ( 0.024 3.950 1.724) 4.310 22.399 ( 0.230 -2.257 1.104) 2.523 22.399 ( 0.230 2.257 1.104) 2.523 ======================= Grid point 26 (15/126) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 -3.683 0.000) 3.683 0.594 ( 0.000 3.683 0.000) 3.683 0.793 ( 0.000 -4.839 -0.000) 4.839 0.793 ( 0.000 4.839 -0.000) 4.839 0.947 ( 0.000 -1.429 0.000) 1.429 0.947 ( -0.000 1.429 -0.000) 1.429 0.972 ( 0.000 -3.738 0.000) 3.738 0.972 ( -0.000 3.738 -0.000) 3.738 1.050 ( 0.000 -1.492 0.000) 1.492 1.050 ( 0.000 1.492 -0.000) 1.492 1.563 ( 0.000 -0.094 0.000) 0.094 1.563 ( 0.000 0.094 -0.000) 0.094 1.634 ( 0.000 -3.387 0.000) 3.387 1.634 ( 0.000 3.387 0.000) 3.387 1.832 ( 0.000 -3.239 0.000) 3.239 1.832 ( 0.000 3.239 -0.000) 3.239 2.310 ( 0.000 -5.444 0.000) 5.444 2.310 ( 0.000 5.444 0.000) 5.444 2.794 ( 0.000 -1.092 0.000) 1.092 2.794 ( 0.000 1.092 0.000) 1.092 3.948 ( 0.000 -0.207 -0.000) 0.207 3.948 ( 0.000 0.207 0.000) 0.207 4.043 ( 0.000 -1.022 -0.000) 1.022 4.043 ( 0.000 1.022 0.000) 1.022 5.288 ( 0.000 -4.265 0.000) 4.265 5.288 ( 0.000 4.265 -0.000) 4.265 6.666 ( 0.000 -1.364 -0.000) 1.364 6.666 ( 0.000 1.364 0.000) 1.364 6.911 ( 0.000 -2.657 -0.000) 2.657 6.911 ( 0.000 2.657 -0.000) 2.657 7.240 ( 0.000 -2.543 0.000) 2.543 7.240 ( 0.000 2.543 0.000) 2.543 7.386 ( 0.000 -0.808 -0.000) 0.808 7.386 ( 0.000 0.808 -0.000) 0.808 7.694 ( 0.000 -0.577 0.000) 0.577 7.694 ( 0.000 0.577 0.000) 0.577 9.470 ( 0.000 -0.927 0.000) 0.927 9.470 ( 0.000 0.927 0.000) 0.927 9.981 ( 0.000 -1.418 0.000) 1.418 9.981 ( 0.000 1.418 0.000) 1.418 11.454 ( 0.000 -1.203 0.000) 1.203 11.454 ( 0.000 1.203 -0.000) 1.203 11.903 ( 0.000 -1.243 0.000) 1.243 11.903 ( 0.000 1.243 0.000) 1.243 14.181 ( 0.000 -0.252 0.000) 0.252 14.181 ( 0.000 0.252 -0.000) 0.252 14.615 ( 0.000 -0.502 0.000) 0.502 14.615 ( 0.000 0.502 0.000) 0.502 18.660 ( 0.000 -0.067 -0.000) 0.067 18.660 ( 0.000 0.067 0.000) 0.067 18.952 ( 0.000 -0.353 -0.000) 0.353 18.952 ( 0.000 0.353 -0.000) 0.353 19.458 ( 0.000 -0.985 0.000) 0.985 19.458 ( 0.000 0.985 0.000) 0.985 20.278 ( 0.000 -1.819 -0.000) 1.819 20.278 ( 0.000 1.819 0.000) 1.819 22.151 ( 0.000 -3.942 0.000) 3.942 22.151 ( 0.000 3.942 0.000) 3.942 22.406 ( 0.000 -2.381 0.000) 2.381 22.406 ( 0.000 2.381 0.000) 2.381 ======================= Grid point 45 (16/126) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 4.628 0.000 12.395) 13.231 0.266 ( 1.056 0.000 13.766) 13.807 0.633 ( -2.940 0.000 -2.902) 4.131 0.715 ( -8.611 0.000 27.634) 28.945 0.820 ( 1.052 0.000 1.419) 1.766 0.894 ( -1.606 0.000 1.645) 2.299 0.913 ( -0.397 0.000 5.252) 5.267 0.951 ( 0.952 0.000 1.488) 1.766 1.072 ( -1.238 0.000 -0.194) 1.253 1.089 ( -0.328 0.000 1.370) 1.409 1.181 ( -4.412 0.000 -1.352) 4.615 1.408 ( -0.257 0.000 3.905) 3.914 1.423 ( 9.358 0.000 0.620) 9.379 1.749 ( 13.926 0.000 1.115) 13.971 1.942 ( -5.769 0.000 15.638) 16.669 2.076 ( -1.166 0.000 5.390) 5.515 2.142 ( -6.697 0.000 8.420) 10.758 2.197 ( -3.702 0.000 7.525) 8.386 2.403 ( -0.614 0.000 17.220) 17.231 2.984 ( 0.259 0.000 -5.067) 5.074 3.771 ( 1.569 0.000 -8.830) 8.969 3.836 ( 2.657 0.000 -4.809) 5.495 3.992 ( 2.176 0.000 -2.321) 3.181 4.074 ( -0.175 0.000 0.051) 0.182 4.994 ( 3.941 0.000 -6.802) 7.862 5.281 ( 5.314 0.000 -9.850) 11.192 6.495 ( -1.259 0.000 1.484) 1.946 6.603 ( -1.868 0.000 2.170) 2.863 6.761 ( -3.448 0.000 3.929) 5.228 6.897 ( -0.626 0.000 2.591) 2.665 7.265 ( -3.553 0.000 7.775) 8.548 7.312 ( 2.557 0.000 -2.874) 3.847 7.317 ( -4.080 0.000 9.765) 10.583 7.448 ( 3.466 0.000 -7.619) 8.370 7.616 ( -2.549 0.000 3.728) 4.516 7.748 ( -3.197 0.000 6.926) 7.629 9.465 ( 0.687 0.000 -1.710) 1.842 9.494 ( 0.559 0.000 -1.661) 1.753 9.913 ( 0.411 0.000 -0.084) 0.419 9.970 ( 0.561 0.000 -0.297) 0.635 11.497 ( -0.323 0.000 -0.704) 0.774 11.587 ( 0.003 0.000 -0.862) 0.862 11.876 ( 1.709 0.000 -4.165) 4.502 11.888 ( 2.433 0.000 -3.491) 4.255 14.179 ( -0.568 0.000 1.095) 1.233 14.185 ( -0.769 0.000 1.133) 1.369 14.589 ( 0.362 0.000 -0.934) 1.002 14.612 ( 0.376 0.000 -1.020) 1.087 18.604 ( -0.233 0.000 0.862) 0.893 18.660 ( -0.541 0.000 2.081) 2.150 18.986 ( 1.669 0.000 -0.218) 1.683 19.042 ( -1.698 0.000 0.063) 1.700 19.493 ( -5.595 0.000 6.301) 8.427 19.768 ( -30.662 0.000 4.772) 31.031 20.375 ( -1.582 0.000 2.501) 2.959 20.463 ( -1.180 0.000 2.180) 2.479 22.018 ( 0.686 0.000 1.108) 1.304 22.292 ( 12.594 0.000 -0.158) 12.595 22.303 ( 1.107 0.000 -2.168) 2.434 22.384 ( 2.073 0.000 -1.128) 2.359 ======================= Grid point 46 (17/126) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 5.389 0.000 6.971) 8.811 0.574 ( 15.411 0.000 5.661) 16.418 0.594 ( 1.549 0.000 2.519) 2.957 0.788 ( -3.015 0.000 17.164) 17.427 0.828 ( -0.893 0.000 0.238) 0.925 0.871 ( -2.871 0.000 1.657) 3.315 0.977 ( 3.058 0.000 4.822) 5.710 0.992 ( 1.712 0.000 -0.155) 1.719 1.042 ( -3.665 0.000 -3.066) 4.778 1.068 ( 0.312 0.000 2.496) 2.515 1.129 ( -1.239 0.000 4.126) 4.308 1.451 ( 1.460 0.000 2.743) 3.108 1.533 ( 3.742 0.000 -0.379) 3.761 1.965 ( 1.956 0.000 15.431) 15.554 1.989 ( -12.456 0.000 24.840) 27.788 2.079 ( -3.367 0.000 5.841) 6.742 2.178 ( 10.307 0.000 -3.664) 10.939 2.208 ( -1.707 0.000 6.290) 6.517 2.543 ( 6.735 0.000 -3.326) 7.512 2.885 ( -6.143 0.000 -4.883) 7.847 3.759 ( 5.097 0.000 -8.524) 9.931 3.859 ( 4.749 0.000 -6.028) 7.674 4.001 ( 0.200 0.000 -0.653) 0.683 4.039 ( -1.939 0.000 -0.851) 2.118 5.025 ( 5.115 0.000 -6.262) 8.086 5.295 ( 4.654 0.000 -8.412) 9.613 6.505 ( 1.352 0.000 0.654) 1.502 6.601 ( 0.203 0.000 1.066) 1.085 6.780 ( 0.746 0.000 3.508) 3.586 6.942 ( 2.554 0.000 2.900) 3.864 7.273 ( -3.000 0.000 8.223) 8.753 7.312 ( -4.919 0.000 9.332) 10.549 7.328 ( 1.802 0.000 -3.248) 3.714 7.449 ( 3.310 0.000 -7.557) 8.250 7.615 ( -1.440 0.000 5.097) 5.297 7.745 ( -3.368 0.000 7.058) 7.820 9.456 ( 0.259 0.000 -2.322) 2.336 9.491 ( 0.532 0.000 -1.598) 1.684 9.919 ( 0.479 0.000 -0.360) 0.599 9.984 ( 0.967 0.000 0.169) 0.982 11.476 ( -1.138 0.000 -0.872) 1.433 11.567 ( -1.236 0.000 -1.138) 1.680 11.870 ( 1.127 0.000 -3.646) 3.816 11.901 ( 1.969 0.000 -3.315) 3.856 14.178 ( -0.426 0.000 1.064) 1.146 14.189 ( -0.156 0.000 1.019) 1.031 14.589 ( 0.448 0.000 -0.959) 1.058 14.612 ( 0.537 0.000 -1.064) 1.192 18.615 ( 0.443 0.000 1.037) 1.127 18.671 ( -0.348 0.000 2.278) 2.305 19.002 ( -0.192 0.000 0.011) 0.192 19.013 ( -1.327 0.000 1.141) 1.750 19.453 ( -4.095 0.000 6.568) 7.740 19.520 ( -8.158 0.000 10.587) 13.365 20.350 ( -3.080 0.000 2.168) 3.767 20.443 ( -2.863 0.000 2.197) 3.609 22.041 ( 0.632 0.000 1.075) 1.247 22.304 ( 1.052 0.000 -2.351) 2.575 22.357 ( -0.572 0.000 -0.595) 0.825 22.416 ( 1.941 0.000 -0.495) 2.004 ======================= Grid point 47 (18/126) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -0.387 0.000 0.501) 0.633 0.760 ( 4.336 0.000 5.096) 6.691 0.776 ( 2.930 0.000 5.665) 6.378 0.802 ( 0.784 0.000 1.423) 1.624 0.817 ( -1.074 0.000 -1.754) 2.057 0.880 ( 0.321 0.000 5.661) 5.670 0.941 ( -1.547 0.000 -1.333) 2.042 1.017 ( 0.256 0.000 -0.609) 0.661 1.047 ( 1.906 0.000 0.235) 1.921 1.145 ( -0.798 0.000 3.064) 3.166 1.226 ( 8.175 0.000 10.487) 13.296 1.507 ( 2.476 0.000 2.249) 3.345 1.574 ( 2.335 0.000 -2.890) 3.716 1.904 ( -14.626 0.000 20.441) 25.135 2.060 ( -3.704 0.000 5.694) 6.792 2.124 ( -5.871 0.000 27.675) 28.291 2.218 ( -2.467 0.000 4.404) 5.048 2.397 ( 13.485 0.000 0.313) 13.488 2.611 ( 7.525 0.000 -9.311) 11.971 2.706 ( -8.990 0.000 -2.411) 9.307 3.810 ( 6.958 0.000 -6.986) 9.860 3.908 ( 6.073 0.000 -6.622) 8.985 3.987 ( -1.546 0.000 0.321) 1.579 4.006 ( -0.357 0.000 -1.873) 1.907 5.068 ( 4.883 0.000 -6.177) 7.874 5.311 ( 4.244 0.000 -7.609) 8.712 6.548 ( 2.910 0.000 -0.159) 2.914 6.626 ( 1.837 0.000 0.131) 1.842 6.832 ( 1.245 0.000 4.352) 4.527 7.018 ( 2.280 0.000 3.513) 4.188 7.269 ( -5.195 0.000 8.919) 10.322 7.318 ( -1.696 0.000 7.020) 7.222 7.325 ( 0.972 0.000 -3.220) 3.363 7.433 ( 1.025 0.000 -6.452) 6.533 7.648 ( -0.076 0.000 6.115) 6.115 7.746 ( -2.571 0.000 6.517) 7.006 9.439 ( 0.257 0.000 -2.657) 2.669 9.488 ( 0.544 0.000 -1.379) 1.483 9.925 ( 0.566 0.000 -0.540) 0.782 10.002 ( 0.788 0.000 0.034) 0.789 11.447 ( -1.203 0.000 -0.713) 1.398 11.528 ( -1.733 0.000 -1.201) 2.108 11.857 ( 0.718 0.000 -3.318) 3.395 11.905 ( 1.569 0.000 -3.387) 3.732 14.180 ( -0.294 0.000 1.077) 1.116 14.194 ( -0.228 0.000 1.027) 1.052 14.590 ( 0.503 0.000 -0.929) 1.056 14.614 ( 0.634 0.000 -1.043) 1.220 18.633 ( 0.590 0.000 0.938) 1.109 18.683 ( -0.440 0.000 2.300) 2.341 18.984 ( -1.424 0.000 -0.071) 1.426 19.000 ( -1.167 0.000 0.185) 1.181 19.459 ( -1.971 0.000 7.674) 7.923 19.512 ( -2.588 0.000 8.873) 9.243 20.305 ( -3.565 0.000 2.233) 4.206 20.402 ( -3.432 0.000 2.312) 4.138 22.053 ( 0.082 0.000 0.055) 0.098 22.302 ( 1.060 0.000 -2.763) 2.959 22.327 ( -1.846 0.000 -0.255) 1.864 22.442 ( 1.433 0.000 -1.012) 1.754 ======================= Grid point 48 (19/126) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.101 0.000 1.533) 1.536 0.725 ( -3.109 0.000 2.265) 3.847 0.769 ( -0.528 0.000 -2.648) 2.701 0.861 ( 0.472 0.000 4.291) 4.317 0.887 ( 1.150 0.000 0.403) 1.219 0.907 ( 0.471 0.000 0.995) 1.101 0.994 ( 4.600 0.000 1.715) 4.909 1.001 ( -1.865 0.000 -1.188) 2.211 1.079 ( 1.068 0.000 0.758) 1.309 1.144 ( -1.443 0.000 1.369) 1.990 1.402 ( 2.390 0.000 4.404) 5.011 1.578 ( 2.758 0.000 3.071) 4.128 1.587 ( 2.719 0.000 -3.447) 4.390 1.832 ( -11.762 0.000 22.394) 25.295 2.036 ( -3.694 0.000 3.698) 5.227 2.192 ( -3.523 0.000 5.224) 6.300 2.195 ( -12.046 0.000 29.578) 31.937 2.557 ( -5.772 0.000 0.940) 5.848 2.626 ( 9.942 0.000 0.311) 9.947 2.679 ( 6.791 0.000 -6.870) 9.660 3.878 ( 5.543 0.000 -5.320) 7.683 3.961 ( -0.354 0.000 -1.973) 2.004 3.964 ( 5.719 0.000 -6.601) 8.734 3.987 ( -0.835 0.000 -0.319) 0.894 5.096 ( 3.782 0.000 -6.307) 7.354 5.319 ( 3.556 0.000 -8.164) 8.905 6.601 ( 2.829 0.000 -0.444) 2.863 6.665 ( 2.143 0.000 0.012) 2.143 6.889 ( 0.251 0.000 5.621) 5.626 7.069 ( -0.322 0.000 4.131) 4.143 7.249 ( -4.333 0.000 7.792) 8.916 7.317 ( 0.982 0.000 -2.916) 3.077 7.350 ( -1.112 0.000 6.191) 6.290 7.382 ( -1.187 0.000 -4.685) 4.833 7.702 ( 0.031 0.000 6.047) 6.047 7.755 ( -1.996 0.000 5.397) 5.755 9.426 ( 0.736 0.000 -2.498) 2.604 9.488 ( 0.589 0.000 -1.257) 1.388 9.931 ( 0.483 0.000 -0.517) 0.708 10.010 ( 0.309 0.000 -0.561) 0.640 11.425 ( -0.548 0.000 -0.443) 0.705 11.493 ( -0.974 0.000 -0.885) 1.316 11.843 ( 0.811 0.000 -3.256) 3.355 11.903 ( 1.390 0.000 -3.737) 3.987 14.184 ( -0.327 0.000 1.121) 1.167 14.198 ( -0.314 0.000 1.117) 1.161 14.592 ( 0.496 0.000 -0.854) 0.988 14.617 ( 0.607 0.000 -0.974) 1.148 18.648 ( 0.274 0.000 0.640) 0.697 18.690 ( -0.829 0.000 2.113) 2.270 18.952 ( -1.420 0.000 -1.033) 1.756 18.974 ( -1.323 0.000 -0.579) 1.445 19.500 ( -1.539 0.000 9.812) 9.932 19.553 ( -1.673 0.000 9.840) 9.982 20.266 ( -2.653 0.000 2.725) 3.803 20.364 ( -2.667 0.000 2.423) 3.603 22.047 ( -0.164 0.000 -1.081) 1.094 22.288 ( -1.556 0.000 -1.783) 2.367 22.297 ( 1.090 0.000 -3.334) 3.508 22.449 ( 0.791 0.000 -2.253) 2.388 ======================= Grid point 49 (20/126) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -0.098 0.000 2.339) 2.341 0.736 ( 0.888 0.000 5.341) 5.415 0.737 ( -2.426 0.000 -0.593) 2.498 0.867 ( -2.101 0.000 2.115) 2.981 0.898 ( -0.408 0.000 -0.082) 0.416 0.911 ( -3.659 0.000 0.892) 3.766 0.953 ( 1.652 0.000 -1.289) 2.096 1.034 ( 0.240 0.000 -1.885) 1.900 1.094 ( -1.652 0.000 0.975) 1.918 1.106 ( -2.522 0.000 0.497) 2.571 1.390 ( -3.506 0.000 -2.049) 4.061 1.608 ( 1.601 0.000 -3.222) 3.598 1.640 ( -0.282 0.000 4.664) 4.673 1.856 ( -7.986 0.000 25.933) 27.135 1.980 ( -3.379 0.000 1.114) 3.558 2.188 ( -13.749 0.000 26.604) 29.947 2.225 ( 0.314 0.000 8.715) 8.721 2.513 ( -0.311 0.000 2.183) 2.205 2.689 ( -0.480 0.000 -3.864) 3.894 2.770 ( 3.986 0.000 0.449) 4.011 3.913 ( 2.566 0.000 -4.306) 5.013 3.944 ( 1.272 0.000 -4.178) 4.367 3.972 ( -0.883 0.000 0.757) 1.163 3.997 ( 3.469 0.000 -6.228) 7.129 5.101 ( 2.570 0.000 -6.646) 7.126 5.304 ( 2.956 0.000 -9.693) 10.134 6.635 ( 0.836 0.000 0.161) 0.851 6.697 ( 0.774 0.000 0.748) 1.076 6.927 ( -1.804 0.000 6.601) 6.843 7.074 ( -2.640 0.000 3.998) 4.791 7.239 ( -3.512 0.000 6.947) 7.784 7.298 ( -0.979 0.000 -2.894) 3.055 7.347 ( 2.411 0.000 -4.137) 4.789 7.372 ( -2.205 0.000 6.321) 6.695 7.737 ( -1.774 0.000 5.704) 5.974 7.758 ( -2.228 0.000 4.703) 5.204 9.427 ( 1.347 0.000 -1.934) 2.357 9.488 ( 0.565 0.000 -1.198) 1.324 9.932 ( 0.121 0.000 -0.556) 0.569 10.005 ( -0.090 0.000 -1.046) 1.050 11.420 ( 0.376 0.000 -0.236) 0.444 11.485 ( 0.771 0.000 -0.350) 0.847 11.835 ( 1.393 0.000 -3.435) 3.707 11.895 ( 1.461 0.000 -4.260) 4.504 14.186 ( -0.461 0.000 1.159) 1.247 14.201 ( -0.424 0.000 1.222) 1.294 14.593 ( 0.423 0.000 -0.783) 0.890 14.620 ( 0.479 0.000 -0.897) 1.017 18.653 ( -0.190 0.000 0.337) 0.387 18.687 ( -1.324 0.000 1.798) 2.233 18.920 ( -0.617 0.000 -1.671) 1.782 18.950 ( -0.529 0.000 -0.819) 0.975 19.557 ( -2.355 0.000 11.752) 11.986 19.607 ( -2.223 0.000 11.535) 11.747 20.258 ( -0.924 0.000 3.326) 3.452 20.350 ( -1.030 0.000 2.507) 2.710 22.033 ( 0.040 0.000 -1.822) 1.823 22.241 ( -0.950 0.000 -3.975) 4.087 22.288 ( 1.209 0.000 -3.661) 3.856 22.434 ( 0.291 0.000 -3.553) 3.564 ======================= Grid point 50 (21/126) ======================= q-point: (-0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.004 0.000 2.978) 2.978 0.646 ( -9.198 0.000 6.609) 11.326 0.813 ( -1.634 0.000 2.455) 2.949 0.833 ( -3.059 0.000 1.025) 3.226 0.845 ( -2.971 0.000 -0.796) 3.076 0.868 ( 0.084 0.000 3.411) 3.412 1.001 ( -1.806 0.000 -5.418) 5.711 1.004 ( 2.730 0.000 1.796) 3.267 1.041 ( -1.131 0.000 4.889) 5.018 1.099 ( -1.119 0.000 1.448) 1.830 1.258 ( -8.996 0.000 -2.179) 9.256 1.584 ( -0.598 0.000 -4.460) 4.500 1.628 ( -5.219 0.000 4.954) 7.196 1.928 ( -7.600 0.000 23.324) 24.531 1.962 ( 0.047 0.000 1.627) 1.627 2.143 ( -14.383 0.000 25.804) 29.542 2.280 ( -2.845 0.000 7.354) 7.885 2.572 ( -8.973 0.000 -2.903) 9.431 2.606 ( 8.061 0.000 2.806) 8.536 2.795 ( -0.625 0.000 -1.499) 1.624 3.904 ( 0.198 0.000 -3.724) 3.730 3.936 ( 1.823 0.000 -4.432) 4.793 3.972 ( 0.543 0.000 0.016) 0.543 3.983 ( 0.554 0.000 -6.153) 6.178 5.080 ( 1.415 0.000 -7.255) 7.391 5.273 ( 3.315 0.000 -11.035) 11.522 6.628 ( -2.249 0.000 1.233) 2.565 6.702 ( -1.496 0.000 1.884) 2.406 6.930 ( -3.777 0.000 6.687) 7.680 7.042 ( -4.024 0.000 3.076) 5.065 7.234 ( -3.252 0.000 6.894) 7.622 7.263 ( 0.284 0.000 -2.984) 2.998 7.374 ( -3.711 0.000 7.528) 8.393 7.380 ( 4.757 0.000 -5.069) 6.951 7.727 ( -3.616 0.000 4.367) 5.669 7.756 ( -2.849 0.000 5.691) 6.364 9.441 ( 1.568 0.000 -1.476) 2.153 9.490 ( 0.653 0.000 -1.024) 1.214 9.926 ( -0.191 0.000 -0.742) 0.766 9.992 ( -0.329 0.000 -1.088) 1.137 11.436 ( 1.384 0.000 0.047) 1.385 11.511 ( 2.058 0.000 -0.135) 2.063 11.838 ( 2.141 0.000 -3.713) 4.286 11.887 ( 1.706 0.000 -4.733) 5.031 14.186 ( -0.601 0.000 1.176) 1.321 14.202 ( -0.542 0.000 1.285) 1.394 14.594 ( 0.327 0.000 -0.763) 0.830 14.620 ( 0.328 0.000 -0.850) 0.911 18.647 ( -0.742 0.000 0.144) 0.756 18.674 ( -1.516 0.000 1.606) 2.208 18.907 ( 0.765 0.000 -1.666) 1.833 18.948 ( 0.766 0.000 0.071) 0.770 19.595 ( -4.333 0.000 11.513) 12.301 19.670 ( -2.531 0.000 15.060) 15.272 20.285 ( 0.540 0.000 3.631) 3.671 20.367 ( 0.604 0.000 2.530) 2.601 22.019 ( 0.151 0.000 -2.019) 2.025 22.188 ( -0.207 0.000 -6.296) 6.299 22.283 ( 1.452 0.000 -3.388) 3.686 22.405 ( 0.208 0.000 -4.264) 4.269 ======================= Grid point 51 (22/126) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -7.811 0.000 -0.326) 7.817 0.553 ( -10.019 0.000 14.208) 17.385 0.689 ( -4.222 0.000 3.503) 5.486 0.767 ( -6.761 0.000 0.814) 6.810 0.881 ( -1.622 0.000 1.334) 2.100 0.912 ( 0.372 0.000 4.412) 4.428 0.919 ( -0.136 0.000 -4.068) 4.070 1.029 ( -10.669 0.000 1.179) 10.734 1.078 ( -0.619 0.000 3.339) 3.396 1.088 ( -1.196 0.000 1.395) 1.837 1.113 ( 2.840 0.000 5.979) 6.619 1.523 ( -1.123 0.000 -5.665) 5.775 1.545 ( -7.134 0.000 3.087) 7.773 1.927 ( -10.407 0.000 15.263) 18.473 1.994 ( 0.943 0.000 3.042) 3.185 2.103 ( -15.223 0.000 28.962) 32.719 2.258 ( -5.220 0.000 6.862) 8.622 2.347 ( -11.318 0.000 -2.230) 11.535 2.719 ( -4.148 0.000 -7.485) 8.557 2.802 ( 10.212 0.000 0.742) 10.239 3.869 ( -0.440 0.000 -3.473) 3.500 3.921 ( -1.198 0.000 -6.740) 6.845 3.939 ( 1.985 0.000 -3.158) 3.730 3.990 ( 1.864 0.000 -1.000) 2.115 5.037 ( 0.978 0.000 -7.788) 7.850 5.252 ( 4.520 0.000 -11.139) 12.021 6.581 ( -3.965 0.000 1.866) 4.382 6.674 ( -3.402 0.000 2.759) 4.380 6.904 ( -4.456 0.000 5.559) 7.125 6.981 ( -4.815 0.000 2.205) 5.296 7.236 ( -2.814 0.000 7.145) 7.679 7.262 ( 2.200 0.000 -2.964) 3.691 7.364 ( -4.706 0.000 8.666) 9.862 7.423 ( 4.790 0.000 -6.355) 7.957 7.687 ( -4.093 0.000 3.581) 5.438 7.749 ( -3.223 0.000 6.482) 7.240 9.456 ( 1.314 0.000 -1.501) 1.995 9.496 ( 0.760 0.000 -0.837) 1.130 9.915 ( -0.190 0.000 -0.777) 0.800 9.977 ( -0.310 0.000 -0.842) 0.897 11.467 ( 1.760 0.000 0.145) 1.765 11.550 ( 2.191 0.000 -0.265) 2.207 11.851 ( 2.670 0.000 -3.876) 4.706 11.881 ( 1.968 0.000 -4.887) 5.269 14.184 ( -0.689 0.000 1.136) 1.328 14.202 ( -0.596 0.000 1.225) 1.362 14.593 ( 0.269 0.000 -0.802) 0.846 14.618 ( 0.237 0.000 -0.862) 0.894 18.629 ( -1.261 0.000 0.228) 1.282 18.662 ( -1.183 0.000 1.602) 1.992 18.921 ( 1.919 0.000 -1.209) 2.268 18.980 ( 1.892 0.000 1.722) 2.558 19.588 ( -5.988 0.000 9.916) 11.584 19.783 ( -0.632 0.000 21.594) 21.603 20.330 ( 0.871 0.000 3.450) 3.558 20.408 ( 1.356 0.000 2.489) 2.835 22.006 ( 0.067 0.000 -1.415) 1.416 22.124 ( -0.353 0.000 -8.492) 8.499 22.287 ( 1.654 0.000 -2.589) 3.072 22.377 ( 0.632 0.000 -4.064) 4.113 ======================= Grid point 52 (23/126) ======================= q-point: (-0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -12.136 0.000 4.684) 13.009 0.419 ( -17.883 0.000 3.692) 18.261 0.636 ( -10.038 0.000 20.294) 22.641 0.692 ( -0.970 0.000 1.338) 1.652 0.808 ( -1.615 0.000 -2.103) 2.652 0.902 ( -4.791 0.000 5.223) 7.087 0.931 ( -2.376 0.000 3.467) 4.203 0.933 ( 0.196 0.000 1.532) 1.544 1.083 ( -0.589 0.000 1.514) 1.624 1.096 ( -1.199 0.000 2.059) 2.383 1.204 ( 1.676 0.000 3.171) 3.587 1.438 ( -5.944 0.000 2.136) 6.316 1.455 ( -1.723 0.000 -7.788) 7.976 1.777 ( -14.200 0.000 0.957) 14.232 2.012 ( -15.858 0.000 19.601) 25.213 2.039 ( 0.444 0.000 4.440) 4.463 2.207 ( -6.885 0.000 8.017) 10.568 2.219 ( -5.257 0.000 7.484) 9.146 2.489 ( -14.015 0.000 -4.508) 14.722 2.953 ( 6.533 0.000 -2.789) 7.104 3.835 ( -0.221 0.000 -6.761) 6.764 3.843 ( 0.066 0.000 -4.884) 4.885 3.961 ( 2.688 0.000 -1.888) 3.285 4.028 ( 2.555 0.000 1.025) 2.753 4.999 ( 2.071 0.000 -7.573) 7.851 5.257 ( 5.635 0.000 -9.975) 11.457 6.525 ( -3.489 0.000 1.926) 3.985 6.632 ( -3.434 0.000 2.833) 4.452 6.850 ( -5.458 0.000 1.594) 5.686 6.919 ( -3.586 0.000 2.473) 4.356 7.252 ( -2.075 0.000 7.527) 7.808 7.286 ( 2.778 0.000 -2.787) 3.935 7.338 ( -5.836 0.000 8.020) 9.919 7.445 ( 3.808 0.000 -7.237) 8.178 7.644 ( -3.565 0.000 3.260) 4.831 7.748 ( -2.998 0.000 6.802) 7.434 9.463 ( 0.920 0.000 -1.587) 1.834 9.499 ( 0.470 0.000 -1.320) 1.401 9.909 ( 0.109 0.000 -0.381) 0.396 9.968 ( 0.028 0.000 -0.628) 0.629 11.495 ( 1.061 0.000 -0.236) 1.087 11.581 ( 1.348 0.000 -0.540) 1.452 11.870 ( 2.761 0.000 -3.824) 4.717 11.878 ( 2.016 0.000 -4.594) 5.017 14.180 ( -0.661 0.000 1.084) 1.269 14.198 ( -0.850 0.000 0.708) 1.106 14.591 ( 0.287 0.000 -0.872) 0.918 14.615 ( 0.254 0.000 -0.933) 0.967 18.610 ( -1.010 0.000 0.530) 1.141 18.657 ( -0.855 0.000 1.798) 1.991 18.953 ( 2.232 0.000 -0.643) 2.323 19.034 ( 1.825 0.000 1.551) 2.395 19.546 ( -6.426 0.000 7.995) 10.257 20.031 ( 6.095 0.000 15.950) 17.075 20.366 ( -0.005 0.000 2.984) 2.984 20.449 ( 0.639 0.000 2.341) 2.426 22.005 ( 0.391 0.000 0.454) 0.599 22.048 ( 0.222 0.000 -0.856) 0.884 22.297 ( 1.447 0.000 -2.035) 2.497 22.367 ( 1.478 0.000 -2.816) 3.181 ======================= Grid point 53 (24/126) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -3.844 11.277 3.232) 12.345 0.523 ( 2.060 11.716 5.234) 12.997 0.668 ( -3.205 -0.670 -1.687) 3.683 0.769 ( -2.873 6.093 18.762) 19.935 0.804 ( -0.230 -2.395 0.860) 2.555 0.867 ( -2.472 -1.100 3.143) 4.147 0.877 ( 0.071 -0.076 3.785) 3.787 0.998 ( 0.707 2.568 1.428) 3.022 1.075 ( -0.780 0.525 0.162) 0.954 1.095 ( -0.141 0.160 2.729) 2.737 1.170 ( 1.893 -2.969 1.993) 4.046 1.372 ( 3.291 -3.991 0.444) 5.192 1.633 ( -7.632 9.673 -1.226) 12.382 1.813 ( 8.197 4.575 3.375) 9.975 1.913 ( -4.882 -2.810 11.107) 12.454 1.959 ( -6.221 -5.689 15.520) 17.661 2.104 ( -7.464 -1.818 13.476) 15.512 2.165 ( -7.169 -0.129 12.140) 14.099 2.649 ( 3.620 10.406 -5.792) 12.447 2.928 ( 0.876 -4.644 -6.141) 7.749 3.774 ( 1.854 0.420 -7.807) 8.035 3.822 ( 2.621 -1.224 -5.135) 5.894 4.000 ( 1.612 0.899 -1.340) 2.280 4.049 ( 0.422 -1.210 0.205) 1.298 5.032 ( 4.156 3.391 -7.112) 8.908 5.230 ( 5.094 -4.045 -8.931) 11.048 6.540 ( -1.303 2.215 0.308) 2.588 6.598 ( -2.149 -0.634 1.965) 2.980 6.781 ( -2.654 1.838 3.774) 4.967 6.877 ( -1.033 -1.721 2.745) 3.400 7.262 ( -2.913 0.159 7.668) 8.205 7.292 ( -3.856 -0.888 7.376) 8.370 7.373 ( 2.918 2.758 -3.670) 5.440 7.446 ( 3.575 -0.474 -7.532) 8.351 7.639 ( -3.412 1.753 4.583) 5.976 7.729 ( -3.398 -1.716 6.939) 7.915 9.469 ( 0.567 0.385 -1.748) 1.878 9.488 ( 0.319 -0.376 -1.753) 1.821 9.922 ( 0.480 0.803 -0.140) 0.946 9.963 ( 0.717 -0.659 -0.244) 1.004 11.510 ( -0.227 1.144 -0.709) 1.365 11.574 ( -0.025 -1.196 -0.849) 1.467 11.879 ( 1.815 0.207 -4.035) 4.429 11.887 ( 2.306 -0.119 -3.545) 4.231 14.179 ( -0.564 0.070 1.097) 1.236 14.184 ( -0.610 -0.104 1.143) 1.300 14.593 ( 0.361 0.327 -0.954) 1.071 14.610 ( 0.375 -0.265 -1.072) 1.166 18.614 ( -0.270 0.788 0.980) 1.286 18.653 ( -0.520 -0.664 1.896) 2.075 18.989 ( 1.316 0.287 0.086) 1.350 19.021 ( -0.897 -1.290 1.217) 1.987 19.496 ( -5.918 0.347 6.911) 9.106 19.597 ( -14.647 -7.023 12.781) 20.669 20.426 ( -2.204 2.024 -0.015) 2.993 20.471 ( -1.534 0.087 1.782) 2.353 22.029 ( 0.980 1.073 1.483) 2.077 22.150 ( 6.029 -6.074 5.420) 10.130 22.321 ( 1.548 1.020 -1.491) 2.379 22.374 ( 1.949 -0.948 -1.177) 2.467 ======================= Grid point 54 (25/126) ======================= q-point: ( 0.12 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 6.129 1.887 5.142) 8.220 0.575 ( 0.120 -0.155 0.045) 0.201 0.699 ( 3.831 4.334 7.614) 9.562 0.782 ( -0.993 -1.125 -1.257) 1.958 0.833 ( -0.618 -1.144 1.789) 2.212 0.877 ( -1.320 2.380 8.469) 8.896 0.976 ( 4.208 1.820 5.755) 7.358 1.019 ( 1.112 1.101 -0.862) 1.787 1.090 ( 0.760 2.000 4.487) 4.971 1.117 ( -0.480 5.298 -1.047) 5.421 1.164 ( -1.117 1.479 2.150) 2.838 1.466 ( 4.501 -5.413 0.373) 7.050 1.567 ( -0.736 9.142 2.078) 9.404 1.927 ( -7.480 -5.132 15.355) 17.834 1.978 ( 2.570 0.731 13.655) 13.914 2.066 ( -3.857 -4.602 18.978) 19.905 2.104 ( -1.898 -1.224 8.609) 8.901 2.155 ( 5.241 -2.343 -0.355) 5.752 2.638 ( 0.613 5.536 -5.314) 7.698 2.841 ( -4.113 -3.743 -6.675) 8.688 3.773 ( 5.025 1.235 -7.676) 9.257 3.844 ( 4.801 -1.346 -6.036) 7.830 4.009 ( 0.110 0.716 -0.427) 0.841 4.037 ( -1.111 -0.246 -0.797) 1.389 5.062 ( 5.103 3.311 -6.345) 8.790 5.252 ( 4.887 -3.687 -7.850) 9.955 6.532 ( 0.602 1.906 0.240) 2.013 6.593 ( 0.277 -0.751 0.912) 1.213 6.799 ( 0.614 1.774 3.556) 4.021 6.912 ( 1.839 -2.462 3.101) 4.366 7.272 ( -3.329 -0.003 8.242) 8.889 7.290 ( -3.128 -0.855 7.630) 8.291 7.378 ( 1.216 2.754 -4.078) 5.069 7.446 ( 3.106 -0.391 -7.518) 8.144 7.633 ( -1.999 1.615 6.087) 6.607 7.726 ( -3.246 -1.717 7.250) 8.127 9.460 ( 0.240 0.296 -2.289) 2.320 9.482 ( 0.467 -0.652 -1.620) 1.808 9.931 ( 0.607 1.001 -0.250) 1.197 9.978 ( 0.932 -0.629 -0.006) 1.125 11.489 ( -1.165 1.154 -0.914) 1.878 11.553 ( -1.224 -1.203 -1.100) 2.038 11.875 ( 1.206 0.452 -3.571) 3.796 11.897 ( 1.826 -0.361 -3.336) 3.820 14.179 ( -0.399 0.127 1.070) 1.149 14.187 ( -0.221 -0.164 1.064) 1.099 14.592 ( 0.459 0.320 -0.982) 1.130 14.609 ( 0.515 -0.275 -1.076) 1.224 18.624 ( 0.315 0.768 1.197) 1.457 18.663 ( -0.255 -0.681 2.095) 2.218 19.002 ( -0.271 0.036 0.267) 0.382 19.010 ( -0.955 -0.223 0.971) 1.380 19.458 ( -4.021 0.495 6.844) 7.953 19.501 ( -6.034 -1.335 9.451) 11.293 20.377 ( -3.534 1.952 1.402) 4.274 20.440 ( -3.224 -0.488 1.867) 3.758 22.062 ( 0.925 1.955 1.444) 2.600 22.243 ( 1.428 -5.907 0.989) 6.157 22.339 ( 1.131 0.782 -0.645) 1.519 22.403 ( 1.824 -1.204 -0.586) 2.263 ======================= Grid point 55 (26/126) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.220 1.321 1.403) 1.939 0.656 ( 4.209 -6.011 4.064) 8.388 0.763 ( 0.261 -0.562 -0.813) 1.022 0.795 ( 0.890 -0.290 0.944) 1.329 0.833 ( 0.192 2.482 6.460) 6.923 0.923 ( 0.312 0.755 3.306) 3.406 1.011 ( -2.164 3.090 -1.955) 4.249 1.032 ( -1.084 2.403 -1.845) 3.217 1.043 ( 1.624 -0.279 0.454) 1.709 1.159 ( -1.305 0.387 1.617) 2.113 1.290 ( 8.241 5.159 7.841) 12.490 1.524 ( 2.971 -4.206 -2.190) 5.596 1.603 ( 1.386 7.896 3.292) 8.666 1.886 ( -11.435 -1.794 17.828) 21.256 2.045 ( -6.285 -1.322 8.939) 11.007 2.088 ( -9.552 -4.064 24.344) 26.465 2.202 ( 3.964 0.928 8.069) 9.038 2.360 ( 11.038 -4.210 1.705) 11.936 2.614 ( 2.492 1.516 -5.533) 6.255 2.705 ( -3.099 -0.798 -6.242) 7.014 3.824 ( 6.555 1.292 -6.450) 9.287 3.893 ( 5.775 -1.256 -6.076) 8.476 3.997 ( -1.051 0.714 -0.281) 1.302 4.009 ( -0.476 0.174 -1.735) 1.808 5.104 ( 4.851 3.183 -6.212) 8.500 5.276 ( 4.413 -3.128 -7.255) 9.049 6.563 ( 2.522 1.286 -0.151) 2.835 6.619 ( 1.994 -0.705 0.010) 2.114 6.850 ( 1.204 1.709 4.234) 4.722 6.978 ( 1.751 -3.192 3.748) 5.225 7.270 ( -4.261 0.324 8.390) 9.416 7.307 ( -1.918 -0.916 7.171) 7.479 7.359 ( 0.655 2.349 -4.139) 4.804 7.427 ( 0.956 -0.597 -6.346) 6.446 7.664 ( -0.445 1.365 6.506) 6.663 7.734 ( -2.215 -1.158 6.722) 7.171 9.444 ( 0.314 0.440 -2.486) 2.544 9.478 ( 0.538 -0.840 -1.518) 1.817 9.939 ( 0.604 1.197 -0.474) 1.422 9.994 ( 0.735 -0.788 -0.115) 1.083 11.458 ( -1.289 1.022 -0.782) 1.821 11.516 ( -1.662 -1.094 -1.129) 2.288 11.865 ( 0.819 0.651 -3.311) 3.473 11.899 ( 1.430 -0.594 -3.360) 3.700 14.182 ( -0.288 0.157 1.081) 1.129 14.192 ( -0.239 -0.195 1.052) 1.097 14.593 ( 0.522 0.329 -0.951) 1.134 14.611 ( 0.613 -0.300 -1.035) 1.240 18.641 ( 0.432 0.670 1.134) 1.386 18.676 ( -0.299 -0.615 2.099) 2.208 18.986 ( -1.374 0.189 -0.035) 1.387 18.998 ( -1.198 -0.244 0.154) 1.232 19.465 ( -1.990 0.615 7.786) 8.060 19.503 ( -2.372 -0.782 8.600) 8.956 20.323 ( -3.706 1.544 2.063) 4.514 20.392 ( -3.612 -0.967 2.157) 4.316 22.079 ( 0.204 2.432 0.199) 2.449 22.251 ( -0.204 -4.163 -0.750) 4.235 22.345 ( 0.442 1.501 -1.335) 2.057 22.426 ( 1.338 -1.452 -1.105) 2.262 ======================= Grid point 56 (27/126) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.215 2.425 1.497) 2.858 0.689 ( -0.473 -4.756 -0.486) 4.804 0.744 ( -1.836 1.494 1.345) 2.723 0.855 ( 2.501 -2.002 0.438) 3.233 0.911 ( 2.127 1.429 4.482) 5.163 0.935 ( 0.201 2.038 -0.549) 2.120 0.969 ( -0.338 -0.406 0.431) 0.682 1.022 ( -0.391 1.249 0.276) 1.337 1.071 ( 0.854 -0.729 0.672) 1.308 1.113 ( -3.890 -2.249 0.182) 4.497 1.461 ( 4.625 3.601 1.776) 6.124 1.552 ( 2.738 -1.989 -2.596) 4.265 1.649 ( 0.596 5.428 2.867) 6.167 1.833 ( -10.671 -0.021 20.299) 22.933 1.997 ( -5.211 -2.677 6.151) 8.495 2.102 ( -9.857 -4.755 21.770) 24.366 2.278 ( -4.201 4.042 12.356) 13.662 2.479 ( -1.955 -5.121 4.468) 7.072 2.663 ( 6.989 1.963 -2.335) 7.626 2.697 ( 6.430 0.969 -5.683) 8.636 3.888 ( 4.978 0.869 -4.913) 7.048 3.940 ( 3.120 -1.225 -3.729) 5.015 3.978 ( 1.182 0.701 -4.011) 4.239 3.992 ( 0.297 0.224 -1.290) 1.342 5.131 ( 3.726 2.997 -6.575) 8.130 5.288 ( 3.556 -2.779 -7.884) 9.084 6.612 ( 2.695 1.052 -0.237) 2.903 6.661 ( 2.371 -0.504 -0.079) 2.425 6.904 ( 0.105 1.387 5.319) 5.498 7.025 ( -0.544 -3.455 4.449) 5.659 7.262 ( -3.723 1.133 7.414) 8.373 7.327 ( -0.789 -0.662 2.729) 2.917 7.344 ( -0.057 0.760 0.033) 0.763 7.380 ( -0.838 -0.211 -4.368) 4.453 7.713 ( -0.295 0.905 6.116) 6.189 7.751 ( -1.708 -0.470 5.643) 5.915 9.433 ( 0.739 0.644 -2.298) 2.499 9.476 ( 0.632 -0.959 -1.406) 1.815 9.945 ( 0.453 1.204 -0.555) 1.401 10.001 ( 0.322 -0.859 -0.593) 1.092 11.434 ( -0.615 0.826 -0.511) 1.150 11.482 ( -0.918 -0.920 -0.827) 1.540 11.852 ( 0.889 0.789 -3.313) 3.520 11.894 ( 1.299 -0.745 -3.654) 3.949 14.186 ( -0.328 0.162 1.122) 1.180 14.195 ( -0.318 -0.196 1.121) 1.182 14.596 ( 0.514 0.345 -0.875) 1.071 14.614 ( 0.592 -0.319 -0.960) 1.172 18.655 ( 0.110 0.561 0.855) 1.028 18.684 ( -0.670 -0.521 1.895) 2.076 18.955 ( -1.405 0.266 -0.960) 1.723 18.971 ( -1.335 -0.308 -0.642) 1.513 19.507 ( -1.565 0.621 9.788) 9.932 19.545 ( -1.654 -0.751 9.805) 9.972 20.282 ( -2.695 1.375 2.630) 4.009 20.351 ( -2.708 -1.148 2.422) 3.810 22.074 ( -0.180 2.492 -1.145) 2.749 22.231 ( -0.593 -3.572 -1.998) 4.136 22.336 ( 0.454 2.119 -2.701) 3.463 22.431 ( 0.762 -1.622 -2.329) 2.938 ======================= Grid point 57 (28/126) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -0.838 1.857 1.458) 2.505 0.668 ( -1.743 -4.371 -0.136) 4.707 0.751 ( 0.422 1.288 3.293) 3.561 0.856 ( -1.348 -1.850 -1.518) 2.747 0.902 ( -4.638 1.264 2.379) 5.364 0.955 ( 0.245 1.457 1.482) 2.092 0.973 ( 1.208 2.383 -1.123) 2.898 1.040 ( -3.216 -2.190 1.669) 4.233 1.055 ( 1.915 -0.411 0.448) 2.009 1.085 ( -0.216 -0.949 0.896) 1.323 1.459 ( -2.951 4.420 -3.718) 6.486 1.580 ( 1.269 -2.122 -2.834) 3.761 1.682 ( -0.703 3.733 5.549) 6.725 1.841 ( -6.599 -1.303 19.064) 20.216 1.973 ( -3.524 -0.531 8.194) 8.936 2.096 ( -9.423 -5.375 20.117) 22.855 2.295 ( -4.805 3.697 12.266) 13.683 2.464 ( -2.302 -3.769 4.428) 6.253 2.719 ( 0.754 2.349 -2.912) 3.816 2.780 ( 3.662 0.406 -0.648) 3.741 3.911 ( 1.537 0.104 -3.605) 3.921 3.950 ( 0.494 -1.294 -1.184) 1.822 3.964 ( 1.618 1.293 -4.595) 5.040 4.003 ( 2.510 0.039 -4.494) 5.148 5.131 ( 2.516 2.607 -7.236) 8.092 5.274 ( 2.811 -2.658 -9.358) 10.126 6.648 ( 0.823 1.154 0.506) 1.505 6.696 ( 0.916 -0.266 0.723) 1.197 6.936 ( -1.842 0.874 6.113) 6.444 7.031 ( -2.637 -3.235 4.449) 6.100 7.256 ( -3.179 1.526 6.404) 7.311 7.318 ( -0.593 1.364 -2.852) 3.216 7.339 ( 0.893 -1.017 -0.829) 1.587 7.358 ( -1.312 -0.914 3.151) 3.533 7.744 ( -1.854 0.535 5.663) 5.983 7.759 ( -2.147 0.023 4.971) 5.415 9.434 ( 1.245 0.676 -1.794) 2.286 9.477 ( 0.680 -0.918 -1.266) 1.705 9.945 ( 0.098 1.103 -0.661) 1.289 9.997 ( -0.046 -0.791 -1.006) 1.281 11.429 ( 0.433 0.782 -0.264) 0.932 11.475 ( 0.714 -0.894 -0.347) 1.196 11.845 ( 1.396 0.799 -3.541) 3.889 11.887 ( 1.445 -0.752 -4.125) 4.435 14.188 ( -0.464 0.163 1.163) 1.263 14.198 ( -0.440 -0.213 1.207) 1.302 14.597 ( 0.434 0.355 -0.800) 0.977 14.616 ( 0.475 -0.325 -0.880) 1.052 18.658 ( -0.355 0.451 0.551) 0.796 18.682 ( -1.154 -0.412 1.585) 2.003 18.925 ( -0.608 0.357 -1.550) 1.702 18.945 ( -0.547 -0.398 -0.952) 1.168 19.562 ( -2.421 0.494 11.614) 11.874 19.597 ( -2.335 -0.796 11.447) 11.710 20.273 ( -0.888 1.284 3.209) 3.569 20.338 ( -0.972 -1.084 2.627) 3.004 22.058 ( -0.098 2.238 -2.089) 3.062 22.198 ( -0.526 -3.163 -3.559) 4.790 22.319 ( 0.715 2.154 -3.683) 4.326 22.416 ( 0.353 -1.631 -3.565) 3.936 ======================= Grid point 58 (29/126) ======================= q-point: (-0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -1.316 -0.242 2.665) 2.982 0.606 ( -5.549 -3.341 3.990) 7.608 0.775 ( -3.667 -0.501 1.531) 4.005 0.811 ( -0.027 -1.328 -0.093) 1.331 0.870 ( -2.465 1.544 5.770) 6.462 0.905 ( -4.312 1.389 2.928) 5.394 1.012 ( 1.976 1.092 0.639) 2.347 1.039 ( -0.442 2.138 -2.746) 3.508 1.080 ( 1.495 1.692 2.765) 3.570 1.092 ( 0.820 -0.069 0.991) 1.288 1.321 ( -8.566 5.259 -3.116) 10.523 1.545 ( -1.691 -3.221 -3.852) 5.298 1.694 ( -3.686 5.355 6.541) 9.222 1.887 ( -4.578 -2.265 15.597) 16.412 1.986 ( -4.594 0.673 10.559) 11.535 2.101 ( -7.622 -3.550 19.632) 21.357 2.287 ( -7.235 1.022 10.875) 13.102 2.463 ( -2.961 -6.409 2.370) 7.448 2.671 ( -2.051 3.778 -0.905) 4.393 2.800 ( 0.414 -0.521 -2.239) 2.336 3.899 ( 0.336 -0.068 -3.371) 3.388 3.934 ( -0.177 -1.151 -2.570) 2.822 3.966 ( 2.145 0.915 -4.388) 4.969 3.995 ( 0.763 0.270 -3.983) 4.064 5.104 ( 1.578 2.251 -7.975) 8.436 5.242 ( 3.001 -2.714 -10.574) 11.322 6.645 ( -2.135 1.465 1.641) 3.065 6.701 ( -1.569 -0.260 1.964) 2.527 6.935 ( -3.801 0.516 6.166) 7.262 7.007 ( -3.708 -2.615 3.758) 5.891 7.251 ( -3.190 1.554 6.463) 7.373 7.291 ( 0.802 2.048 -3.253) 3.927 7.351 ( -3.502 -1.946 7.071) 8.127 7.369 ( 3.894 -0.961 -4.524) 6.046 7.736 ( -3.418 0.741 4.746) 5.895 7.757 ( -2.936 -0.008 5.504) 6.238 9.447 ( 1.447 0.559 -1.359) 2.062 9.481 ( 0.787 -0.725 -1.013) 1.473 9.938 ( -0.215 0.999 -0.849) 1.329 9.984 ( -0.278 -0.705 -1.098) 1.334 11.446 ( 1.485 0.908 0.004) 1.741 11.499 ( 1.966 -1.031 -0.127) 2.224 11.846 ( 2.065 0.649 -3.843) 4.411 11.880 ( 1.758 -0.607 -4.565) 4.930 14.188 ( -0.615 0.157 1.180) 1.340 14.199 ( -0.588 -0.265 1.252) 1.408 14.598 ( 0.331 0.356 -0.774) 0.914 14.616 ( 0.336 -0.314 -0.835) 0.953 18.651 ( -0.848 0.374 0.364) 0.996 18.670 ( -1.391 -0.315 1.402) 2.000 18.912 ( 0.738 0.468 -1.464) 1.705 18.941 ( 0.720 -0.584 -0.253) 0.961 19.599 ( -4.356 0.440 11.654) 12.450 19.649 ( -3.354 -1.598 13.858) 14.347 20.302 ( 0.849 1.364 3.612) 3.953 20.359 ( 0.767 -0.805 2.732) 2.949 22.037 ( -0.080 1.697 -2.446) 2.978 22.153 ( -0.377 -2.749 -5.271) 5.957 22.305 ( 1.111 1.745 -3.699) 4.238 22.389 ( 0.336 -1.447 -4.179) 4.435 ======================= Grid point 59 (30/126) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -5.079 1.288 5.668) 7.719 0.595 ( -2.670 0.928 7.609) 8.117 0.688 ( -5.452 0.948 4.886) 7.382 0.796 ( -2.538 -0.605 0.195) 2.617 0.884 ( -1.462 0.141 3.585) 3.874 0.902 ( -1.393 0.987 6.867) 7.076 0.948 ( -4.614 3.502 -5.490) 7.981 1.059 ( -2.141 1.817 1.006) 2.983 1.074 ( -2.003 -0.639 0.244) 2.117 1.116 ( -3.781 2.696 0.660) 4.690 1.181 ( 0.115 3.695 2.949) 4.729 1.464 ( -3.163 -4.325 -4.532) 7.018 1.666 ( -4.197 8.769 5.776) 11.308 1.904 ( -8.444 -2.066 15.357) 17.647 1.981 ( -4.067 -0.202 9.082) 9.953 2.127 ( -8.418 0.915 19.840) 21.571 2.196 ( -12.020 -3.261 9.401) 15.604 2.340 ( -9.075 -3.191 0.774) 9.651 2.660 ( -0.310 0.016 -2.858) 2.875 2.817 ( 5.916 -1.628 -3.863) 7.251 3.866 ( -0.511 -0.068 -3.634) 3.670 3.896 ( -0.934 -1.393 -4.804) 5.089 3.963 ( 1.893 1.328 -4.251) 4.840 3.993 ( 1.814 0.054 -1.889) 2.620 5.062 ( 1.480 2.426 -8.359) 8.829 5.217 ( 4.028 -3.039 -10.672) 11.805 6.605 ( -3.555 1.928 2.220) 4.614 6.673 ( -3.419 -0.376 2.839) 4.460 6.901 ( -5.044 0.078 5.238) 7.272 6.958 ( -4.546 -1.779 3.048) 5.756 7.248 ( -3.068 1.220 6.892) 7.642 7.297 ( 2.691 2.377 -3.385) 4.935 7.339 ( -4.476 -1.733 8.077) 9.395 7.407 ( 4.627 -1.439 -5.907) 7.640 7.706 ( -3.734 1.298 4.129) 5.716 7.745 ( -3.436 -0.419 6.068) 6.986 9.461 ( 1.234 0.505 -1.326) 1.881 9.489 ( 0.871 -0.531 -0.829) 1.315 9.926 ( -0.235 0.890 -0.857) 1.258 9.970 ( -0.284 -0.698 -0.963) 1.223 11.478 ( 1.817 1.005 0.068) 2.077 11.537 ( 2.135 -1.133 -0.225) 2.428 11.856 ( 2.555 0.395 -3.997) 4.761 11.877 ( 2.063 -0.360 -4.714) 5.158 14.185 ( -0.715 0.133 1.148) 1.359 14.197 ( -0.739 -0.369 1.210) 1.466 14.597 ( 0.269 0.351 -0.810) 0.923 14.615 ( 0.263 -0.290 -0.856) 0.941 18.635 ( -1.228 0.471 0.430) 1.384 18.658 ( -1.180 -0.369 1.422) 1.885 18.927 ( 1.815 0.562 -0.918) 2.111 18.967 ( 1.641 -1.031 1.113) 2.235 19.593 ( -6.144 0.608 10.374) 12.072 19.703 ( -4.790 -5.105 16.904) 18.296 20.360 ( 2.123 1.883 3.777) 4.724 20.405 ( 1.571 -0.351 2.629) 3.083 22.016 ( -0.155 1.001 -1.787) 2.054 22.095 ( -0.908 -2.181 -6.123) 6.563 22.301 ( 1.471 1.210 -2.909) 3.477 22.364 ( 0.759 -1.126 -3.883) 4.114 ======================= Grid point 60 (31/126) ======================= q-point: (-0.12 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -5.367 8.524 5.840) 11.643 0.548 ( -8.402 9.203 2.045) 12.628 0.677 ( -4.827 1.715 11.256) 12.367 0.744 ( -1.935 2.672 3.601) 4.884 0.813 ( -3.478 0.862 -2.413) 4.320 0.854 ( -3.522 -2.614 3.855) 5.840 0.918 ( -2.603 0.831 4.120) 4.944 0.986 ( -1.822 3.307 2.631) 4.602 1.082 ( -0.493 -0.590 1.819) 1.975 1.107 ( -1.261 1.621 1.469) 2.525 1.169 ( -3.441 -4.096 -0.325) 5.359 1.375 ( -2.007 -4.265 -3.025) 5.601 1.678 ( 1.514 10.408 5.272) 11.765 1.819 ( -10.869 3.065 5.232) 12.446 1.972 ( -6.876 -3.816 11.834) 14.209 2.007 ( -13.383 -1.581 9.656) 16.578 2.133 ( -7.259 -1.920 13.174) 15.163 2.215 ( -9.332 -2.212 10.245) 14.033 2.627 ( 2.918 8.213 -6.804) 11.057 2.907 ( 5.922 -4.299 -4.492) 8.587 3.826 ( -0.311 -0.569 -6.444) 6.476 3.834 ( 0.116 -0.726 -4.572) 4.630 3.976 ( 2.270 1.291 -2.140) 3.377 4.021 ( 2.194 -0.513 -0.555) 2.321 5.031 ( 2.680 3.060 -7.946) 8.927 5.215 ( 4.906 -3.602 -9.865) 11.592 6.564 ( -2.513 2.276 1.762) 3.821 6.632 ( -3.422 -0.453 2.731) 4.402 6.838 ( -5.704 0.110 3.600) 6.746 6.902 ( -3.809 -1.469 2.796) 4.948 7.253 ( -2.787 0.626 7.151) 7.700 7.310 ( -3.459 -1.277 5.416) 6.552 7.338 ( 2.391 2.639 -1.109) 3.730 7.436 ( 4.104 -1.056 -6.701) 7.928 7.671 ( -3.528 1.661 3.592) 5.301 7.735 ( -3.342 -1.133 6.508) 7.404 9.469 ( 0.879 0.530 -1.447) 1.774 9.495 ( 0.554 -0.402 -1.331) 1.497 9.918 ( 0.135 0.794 -0.481) 0.938 9.960 ( 0.017 -0.741 -0.660) 0.993 11.506 ( 1.077 1.046 -0.246) 1.522 11.567 ( 1.321 -1.166 -0.505) 1.833 11.871 ( 2.643 0.129 -3.908) 4.720 11.877 ( 2.147 -0.075 -4.426) 4.920 14.181 ( -0.681 0.101 1.106) 1.303 14.191 ( -0.960 -0.398 1.077) 1.497 14.595 ( 0.284 0.341 -0.883) 0.989 14.612 ( 0.298 -0.270 -0.961) 1.042 18.618 ( -0.952 0.674 0.680) 1.351 18.652 ( -0.866 -0.537 1.626) 1.918 18.958 ( 1.999 0.537 -0.323) 2.095 19.008 ( 1.090 -1.759 1.659) 2.652 19.551 ( -6.795 0.572 8.576) 10.957 19.726 ( -9.818 -12.362 16.880) 23.112 20.430 ( 1.801 1.603 1.528) 2.854 20.452 ( 1.161 0.130 2.934) 3.158 22.011 ( 0.376 0.558 0.266) 0.724 22.042 ( 0.292 -0.564 -0.597) 0.872 22.308 ( 1.510 0.917 -2.113) 2.754 22.357 ( 1.486 -0.871 -2.673) 3.180 ======================= Grid point 61 (32/126) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -3.996 -7.880 -0.432) 8.845 0.560 ( -3.996 7.880 -0.432) 8.845 0.714 ( -0.081 -5.511 3.395) 6.473 0.714 ( -0.081 5.511 3.395) 6.473 0.832 ( -1.806 -1.406 6.526) 6.916 0.832 ( -1.806 1.406 6.526) 6.916 0.985 ( 1.856 -4.745 -0.028) 5.095 0.985 ( 1.856 4.745 -0.028) 5.095 1.092 ( 0.469 -0.975 3.967) 4.112 1.092 ( 0.469 0.975 3.967) 4.112 1.218 ( 1.496 -8.610 2.542) 9.101 1.218 ( 1.496 8.610 2.542) 9.101 1.797 ( -3.884 -6.310 1.343) 7.530 1.797 ( -3.884 6.310 1.343) 7.530 1.887 ( -4.316 -1.956 15.480) 16.189 1.887 ( -4.316 1.956 15.480) 16.189 2.129 ( -7.658 -2.784 14.065) 16.255 2.129 ( -7.658 2.784 14.065) 16.255 2.811 ( 2.146 -5.993 -7.484) 9.825 2.811 ( 2.146 5.993 -7.484) 9.825 3.793 ( 2.335 -1.268 -6.095) 6.649 3.793 ( 2.335 1.268 -6.095) 6.649 4.025 ( 1.125 -1.200 -0.907) 1.878 4.025 ( 1.125 1.200 -0.907) 1.878 5.127 ( 4.610 -5.087 -7.990) 10.534 5.127 ( 4.610 5.087 -7.990) 10.534 6.576 ( -1.796 -1.329 1.428) 2.652 6.576 ( -1.796 1.329 1.428) 2.652 6.830 ( -1.823 -2.461 3.214) 4.439 6.830 ( -1.823 2.461 3.214) 4.439 7.273 ( -3.539 -0.763 7.841) 8.637 7.273 ( -3.539 0.763 7.841) 8.637 7.423 ( 3.745 -1.742 -6.481) 7.685 7.423 ( 3.745 1.742 -6.481) 7.685 7.683 ( -3.699 -2.291 6.326) 7.678 7.683 ( -3.699 2.291 6.326) 7.678 9.479 ( 0.358 -0.464 -1.832) 1.923 9.479 ( 0.358 0.464 -1.832) 1.923 9.943 ( 0.647 -1.084 -0.151) 1.271 9.943 ( 0.647 1.084 -0.151) 1.271 11.542 ( -0.105 -1.655 -0.788) 1.836 11.542 ( -0.105 1.655 -0.788) 1.836 11.883 ( 2.051 -0.202 -3.744) 4.273 11.883 ( 2.051 0.202 -3.744) 4.273 14.182 ( -0.553 -0.120 1.115) 1.250 14.182 ( -0.553 0.120 1.115) 1.250 14.602 ( 0.367 -0.443 -1.010) 1.162 14.602 ( 0.367 0.443 -1.010) 1.162 18.634 ( -0.409 -1.034 1.456) 1.832 18.634 ( -0.409 1.034 1.456) 1.832 19.000 ( 0.464 -0.716 0.757) 1.141 19.000 ( 0.464 0.716 0.757) 1.141 19.515 ( -7.495 -1.731 9.028) 11.861 19.515 ( -7.495 1.731 9.028) 11.861 20.458 ( -1.683 -1.117 1.147) 2.323 20.458 ( -1.683 1.117 1.147) 2.323 22.066 ( 2.282 -2.486 2.888) 4.441 22.066 ( 2.282 2.486 2.888) 4.441 22.348 ( 1.695 -1.369 -1.298) 2.536 22.348 ( 1.695 1.369 -1.298) 2.536 ======================= Grid point 63 (33/126) ======================= q-point: ( 0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -0.307 -4.333 1.281) 4.529 0.524 ( -0.307 4.333 1.281) 4.529 0.761 ( 2.163 -2.111 0.323) 3.039 0.761 ( 2.163 2.111 0.323) 3.039 0.848 ( -1.309 -3.001 6.346) 7.141 0.848 ( -1.309 3.001 6.346) 7.141 1.021 ( 1.244 -1.009 -0.649) 1.728 1.021 ( 1.244 1.009 -0.649) 1.728 1.147 ( 0.891 -2.491 3.158) 4.119 1.147 ( 0.891 2.491 3.158) 4.119 1.295 ( 4.197 -9.666 2.140) 10.753 1.295 ( 4.197 9.666 2.140) 10.753 1.774 ( -2.082 -8.788 5.574) 10.613 1.774 ( -2.082 8.788 5.574) 10.613 1.996 ( -0.352 -1.876 17.667) 17.769 1.996 ( -0.352 1.876 17.667) 17.769 2.113 ( -2.902 -1.600 8.603) 9.219 2.113 ( -2.902 1.600 8.603) 9.219 2.746 ( -1.844 -4.733 -7.133) 8.757 2.746 ( -1.844 4.733 -7.133) 8.757 3.808 ( 4.916 -1.846 -6.452) 8.319 3.808 ( 4.916 1.846 -6.452) 8.319 4.026 ( -0.281 -0.748 -0.621) 1.011 4.026 ( -0.281 0.748 -0.621) 1.011 5.155 ( 5.050 -4.885 -6.945) 9.879 5.155 ( 5.050 4.885 -6.945) 9.879 6.570 ( 0.311 -1.460 0.512) 1.578 6.570 ( 0.311 1.460 0.512) 1.578 6.851 ( 0.866 -2.906 3.357) 4.523 6.851 ( 0.866 2.906 3.357) 4.523 7.276 ( -3.284 -0.407 8.057) 8.710 7.276 ( -3.284 0.407 8.057) 8.710 7.426 ( 2.568 -1.579 -6.817) 7.454 7.426 ( 2.568 1.579 -6.817) 7.454 7.679 ( -2.821 -2.435 7.235) 8.139 7.679 ( -2.821 2.435 7.235) 8.139 9.469 ( 0.290 -0.532 -2.009) 2.098 9.469 ( 0.290 0.532 -2.009) 2.098 9.957 ( 0.826 -1.253 -0.109) 1.505 9.957 ( 0.826 1.253 -0.109) 1.505 11.521 ( -1.201 -1.664 -1.012) 2.288 11.521 ( -1.201 1.664 -1.012) 2.288 11.886 ( 1.497 -0.548 -3.422) 3.775 11.886 ( 1.497 0.548 -3.422) 3.775 14.183 ( -0.326 -0.195 1.082) 1.147 14.183 ( -0.326 0.195 1.082) 1.147 14.601 ( 0.486 -0.432 -1.037) 1.224 14.601 ( 0.486 0.432 -1.037) 1.224 18.644 ( 0.019 -1.026 1.647) 1.941 18.644 ( 0.019 1.026 1.647) 1.941 19.005 ( -0.507 -0.219 0.625) 0.834 19.005 ( -0.507 0.219 0.625) 0.834 19.475 ( -4.313 -1.023 7.745) 8.924 19.475 ( -4.313 1.023 7.745) 8.924 20.417 ( -3.556 -1.603 1.377) 4.136 20.417 ( -3.556 1.603 1.377) 4.136 22.128 ( 1.599 -4.294 2.143) 5.059 22.128 ( 1.599 4.294 2.143) 5.059 22.370 ( 1.523 -1.696 -0.799) 2.415 22.370 ( 1.523 1.696 -0.799) 2.415 ======================= Grid point 65 (34/126) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 1.289 -3.154 3.005) 4.543 0.556 ( 1.289 3.154 3.005) 4.543 0.777 ( 0.826 -1.252 -1.202) 1.922 0.777 ( 0.826 1.252 -1.202) 1.922 0.896 ( 0.709 -2.687 4.876) 5.612 0.896 ( 0.709 2.687 4.876) 5.612 1.033 ( 0.705 -0.583 0.038) 0.915 1.033 ( 0.705 0.583 0.038) 0.915 1.124 ( -3.465 -3.752 -1.673) 5.374 1.124 ( -3.465 3.752 -1.673) 5.374 1.411 ( 5.942 -5.759 1.888) 8.487 1.411 ( 5.942 5.759 1.888) 8.487 1.789 ( -2.626 -7.793 6.872) 10.716 1.789 ( -2.626 7.793 6.872) 10.716 2.027 ( -10.879 -0.980 20.353) 23.099 2.027 ( -10.879 0.980 20.353) 23.099 2.259 ( 7.255 -4.045 6.851) 10.767 2.259 ( 7.255 4.045 6.851) 10.767 2.666 ( 0.648 -2.573 -6.467) 6.990 2.666 ( 0.648 2.573 -6.467) 6.990 3.859 ( 5.922 -1.775 -5.848) 8.510 3.859 ( 5.922 1.775 -5.848) 8.510 4.009 ( -0.676 -0.291 -1.132) 1.350 4.009 ( -0.676 0.291 -1.132) 1.350 5.190 ( 4.695 -4.442 -6.587) 9.228 5.190 ( 4.695 4.442 -6.587) 9.228 6.595 ( 2.184 -1.450 -0.125) 2.624 6.595 ( 2.184 1.450 -0.125) 2.624 6.904 ( 1.205 -3.237 4.038) 5.314 6.904 ( 1.205 3.237 4.038) 5.314 7.285 ( -2.940 -0.985 7.691) 8.293 7.285 ( -2.940 0.985 7.691) 8.293 7.404 ( 0.812 -1.635 -5.702) 5.987 7.404 ( 0.812 1.635 -5.702) 5.987 7.700 ( -1.345 -1.806 6.910) 7.268 7.700 ( -1.345 1.806 6.910) 7.268 9.458 ( 0.438 -0.861 -2.001) 2.222 9.458 ( 0.438 0.861 -2.001) 2.222 9.969 ( 0.673 -1.427 -0.321) 1.610 9.969 ( 0.673 1.427 -0.321) 1.610 11.487 ( -1.484 -1.502 -0.957) 2.318 11.487 ( -1.484 1.502 -0.957) 2.318 11.882 ( 1.108 -0.873 -3.319) 3.606 11.882 ( 1.108 0.873 -3.319) 3.606 14.187 ( -0.266 -0.244 1.079) 1.138 14.187 ( -0.266 0.244 1.079) 1.138 14.602 ( 0.567 -0.447 -0.999) 1.233 14.602 ( 0.567 0.447 -0.999) 1.233 18.659 ( 0.060 -0.909 1.615) 1.854 18.659 ( 0.060 0.909 1.615) 1.854 18.991 ( -1.277 -0.303 0.061) 1.314 18.991 ( -1.277 0.303 0.061) 1.314 19.483 ( -2.094 -0.965 8.116) 8.438 19.483 ( -2.094 0.965 8.116) 8.438 20.361 ( -3.796 -1.770 1.971) 4.628 20.361 ( -3.796 1.770 1.971) 4.628 22.154 ( 0.249 -4.340 0.223) 4.353 22.154 ( 0.249 4.340 0.223) 4.353 22.385 ( 1.075 -2.086 -1.319) 2.692 22.385 ( 1.075 2.086 -1.319) 2.692 ======================= Grid point 67 (35/126) ======================= q-point: ( 0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.579 -3.772 1.095) 3.970 0.595 ( 0.579 3.772 1.095) 3.970 0.793 ( 0.740 -2.870 0.949) 3.112 0.793 ( 0.740 2.870 0.949) 3.112 0.936 ( 1.154 -0.732 0.598) 1.492 0.936 ( 1.154 0.732 0.598) 1.492 1.035 ( -3.055 -4.025 0.017) 5.053 1.035 ( -3.055 4.025 0.017) 5.053 1.051 ( -0.515 -0.624 0.654) 1.040 1.051 ( -0.515 0.624 0.654) 1.040 1.515 ( 4.422 -1.623 -0.978) 4.811 1.515 ( 4.422 1.623 -0.978) 4.811 1.779 ( -3.898 -5.504 5.985) 9.018 1.779 ( -3.898 5.504 5.985) 9.018 2.001 ( -9.980 -3.669 20.271) 22.891 2.001 ( -9.980 3.669 20.271) 22.891 2.371 ( -1.938 -4.677 8.572) 9.955 2.371 ( -1.938 4.677 8.572) 9.955 2.698 ( 6.682 -0.990 -4.163) 7.935 2.698 ( 6.682 0.990 -4.163) 7.935 3.912 ( 3.854 -1.286 -4.170) 5.822 3.912 ( 3.854 1.286 -4.170) 5.822 3.991 ( 0.690 -0.402 -2.669) 2.786 3.991 ( 0.690 0.402 -2.669) 2.786 5.211 ( 3.613 -4.051 -7.222) 9.035 5.211 ( 3.613 4.051 -7.222) 9.035 6.640 ( 2.608 -1.338 -0.125) 2.934 6.640 ( 2.608 1.338 -0.125) 2.934 6.951 ( -0.410 -2.998 4.913) 5.770 6.951 ( -0.410 2.998 4.913) 5.770 7.294 ( -2.492 -1.757 6.445) 7.130 7.294 ( -2.492 1.757 6.445) 7.130 7.369 ( -0.112 -0.922 -3.821) 3.932 7.369 ( -0.112 0.922 -3.821) 3.932 7.735 ( -1.018 -0.987 6.034) 6.198 7.735 ( -1.018 0.987 6.034) 6.198 9.453 ( 0.706 -1.116 -1.829) 2.256 9.453 ( 0.706 1.116 -1.829) 2.256 9.975 ( 0.381 -1.447 -0.605) 1.614 9.975 ( 0.381 1.447 -0.605) 1.614 11.458 ( -0.772 -1.239 -0.674) 1.608 11.458 ( -0.772 1.239 -0.674) 1.608 11.874 ( 1.088 -1.083 -3.471) 3.795 11.874 ( 1.088 1.083 -3.471) 3.795 14.190 ( -0.326 -0.251 1.124) 1.197 14.190 ( -0.326 0.251 1.124) 1.197 14.605 ( 0.555 -0.470 -0.920) 1.173 14.605 ( 0.555 0.470 -0.920) 1.173 18.670 ( -0.282 -0.764 1.373) 1.597 18.670 ( -0.282 0.764 1.373) 1.597 18.963 ( -1.369 -0.405 -0.796) 1.635 18.963 ( -1.369 0.405 -0.796) 1.635 19.525 ( -1.613 -0.966 9.767) 9.946 19.525 ( -1.613 0.966 9.767) 9.946 20.318 ( -2.742 -1.779 2.480) 4.103 20.318 ( -2.742 1.779 2.480) 4.103 22.147 ( -0.317 -3.984 -1.441) 4.249 22.147 ( -0.317 3.984 -1.441) 4.249 22.386 ( 0.673 -2.394 -2.512) 3.535 22.386 ( 0.673 2.394 -2.512) 3.535 ======================= Grid point 69 (36/126) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -2.005 -3.083 0.081) 3.679 0.587 ( -2.005 3.083 0.081) 3.679 0.795 ( -0.598 -2.818 0.148) 2.884 0.795 ( -0.598 2.818 0.148) 2.884 0.947 ( -2.231 -2.104 1.566) 3.443 0.947 ( -2.231 2.104 1.566) 3.443 1.009 ( 0.903 -0.666 1.626) 1.976 1.009 ( 0.903 0.666 1.626) 1.976 1.062 ( 0.635 -0.807 1.064) 1.478 1.062 ( 0.635 0.807 1.064) 1.478 1.533 ( -0.676 -2.463 -3.690) 4.487 1.533 ( -0.676 2.463 -3.690) 4.487 1.780 ( -1.995 -4.507 8.304) 9.657 1.780 ( -1.995 4.507 8.304) 9.657 1.995 ( -7.953 -3.248 18.120) 20.053 1.995 ( -7.953 3.248 18.120) 20.053 2.377 ( -4.467 -4.052 8.539) 10.454 2.377 ( -4.467 4.052 8.539) 10.454 2.767 ( 2.435 -1.663 -1.842) 3.477 2.767 ( 2.435 1.663 -1.842) 3.477 3.923 ( 0.712 -0.999 -2.515) 2.799 3.923 ( 0.712 0.999 -2.515) 2.799 3.992 ( 2.237 -1.014 -4.383) 5.025 3.992 ( 2.237 1.014 -4.383) 5.025 5.202 ( 2.567 -3.705 -8.421) 9.551 5.202 ( 2.567 3.705 -8.421) 9.551 6.678 ( 0.955 -1.345 0.745) 1.810 6.678 ( 0.955 1.345 0.745) 1.810 6.968 ( -2.264 -2.253 5.300) 6.188 6.968 ( -2.264 2.253 5.300) 6.188 7.299 ( -2.237 -2.269 5.141) 6.049 7.299 ( -2.237 2.269 5.141) 6.049 7.343 ( 0.176 -0.799 -2.392) 2.528 7.343 ( 0.176 0.799 -2.392) 2.528 7.755 ( -2.002 -0.416 5.428) 5.800 7.755 ( -2.002 0.416 5.428) 5.800 9.454 ( 0.970 -1.104 -1.495) 2.096 9.454 ( 0.970 1.104 -1.495) 2.096 9.973 ( 0.036 -1.324 -0.865) 1.582 9.973 ( 0.036 1.324 -0.865) 1.582 11.451 ( 0.574 -1.187 -0.317) 1.356 11.451 ( 0.574 1.187 -0.317) 1.356 11.866 ( 1.414 -1.095 -3.818) 4.216 11.866 ( 1.414 1.095 -3.818) 4.216 14.193 ( -0.461 -0.263 1.179) 1.293 14.193 ( -0.461 0.263 1.179) 1.293 14.607 ( 0.457 -0.481 -0.840) 1.071 14.607 ( 0.457 0.481 -0.840) 1.071 18.671 ( -0.752 -0.611 1.069) 1.443 18.671 ( -0.752 0.611 1.069) 1.443 18.934 ( -0.581 -0.531 -1.257) 1.483 18.934 ( -0.581 0.531 -1.257) 1.483 19.578 ( -2.462 -0.911 11.421) 11.719 19.578 ( -2.462 0.911 11.421) 11.719 20.307 ( -0.886 -1.667 2.919) 3.476 20.307 ( -0.886 1.667 2.919) 3.476 22.122 ( -0.350 -3.556 -2.781) 4.528 22.122 ( -0.350 3.556 -2.781) 4.528 22.370 ( 0.503 -2.434 -3.610) 4.383 22.370 ( 0.503 2.434 -3.610) 4.383 ======================= Grid point 71 (37/126) ======================= q-point: (-0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -2.920 -1.734 2.979) 4.518 0.544 ( -2.920 1.734 2.979) 4.518 0.786 ( -1.046 -0.984 -0.231) 1.454 0.786 ( -1.046 0.984 -0.231) 1.454 0.905 ( -4.253 -1.165 6.143) 7.561 0.905 ( -4.253 1.165 6.143) 7.561 1.042 ( 0.749 -1.383 0.250) 1.592 1.042 ( 0.749 1.383 0.250) 1.592 1.099 ( 2.288 -0.677 -0.244) 2.399 1.099 ( 2.288 0.677 -0.244) 2.399 1.447 ( -4.810 -5.725 -3.341) 8.190 1.447 ( -4.810 5.725 -3.341) 8.190 1.818 ( -3.395 -4.926 10.901) 12.435 1.818 ( -3.395 4.926 10.901) 12.435 2.016 ( -4.653 -3.183 14.667) 15.713 2.016 ( -4.653 3.183 14.667) 15.713 2.343 ( -7.441 -4.331 8.523) 12.115 2.343 ( -7.441 4.331 8.523) 12.115 2.754 ( -1.105 -3.500 -2.351) 4.358 2.754 ( -1.105 3.500 -2.351) 4.358 3.908 ( 0.038 -0.927 -2.802) 2.952 3.908 ( 0.038 0.927 -2.802) 2.952 3.989 ( 1.475 -0.839 -4.366) 4.684 3.989 ( 1.475 0.839 -4.366) 4.684 5.170 ( 2.231 -3.598 -9.395) 10.305 5.170 ( 2.231 3.598 -9.395) 10.305 6.681 ( -1.874 -1.591 2.011) 3.176 6.681 ( -1.874 1.591 2.011) 3.176 6.957 ( -3.593 -1.676 5.050) 6.421 6.957 ( -3.593 1.676 5.050) 6.421 7.295 ( -3.052 -2.336 5.714) 6.887 7.295 ( -3.052 2.336 5.714) 6.887 7.340 ( 2.055 -1.670 -3.108) 4.083 7.340 ( 2.055 1.670 -3.108) 4.083 7.751 ( -3.153 -0.521 5.206) 6.109 7.751 ( -3.153 0.521 5.206) 6.109 9.463 ( 1.131 -0.875 -1.125) 1.819 9.463 ( 1.131 0.875 -1.125) 1.819 9.963 ( -0.242 -1.216 -1.028) 1.610 9.963 ( -0.242 1.216 -1.028) 1.610 11.472 ( 1.732 -1.377 -0.079) 2.214 11.472 ( 1.732 1.377 -0.079) 2.214 11.863 ( 1.900 -0.888 -4.186) 4.682 11.863 ( 1.900 0.888 -4.186) 4.682 14.193 ( -0.626 -0.286 1.203) 1.386 14.193 ( -0.626 0.286 1.203) 1.386 14.607 ( 0.338 -0.477 -0.803) 0.993 14.607 ( 0.338 0.477 -0.803) 0.993 18.661 ( -1.112 -0.494 0.891) 1.508 18.661 ( -1.112 0.494 0.891) 1.508 18.926 ( 0.696 -0.724 -0.918) 1.361 18.926 ( 0.696 0.724 -0.918) 1.361 19.616 ( -4.195 -1.248 12.288) 13.045 19.616 ( -4.195 1.248 12.288) 13.045 20.334 ( 0.996 -1.443 3.235) 3.679 20.334 ( 0.996 1.443 3.235) 3.679 22.089 ( -0.426 -2.942 -3.650) 4.708 22.089 ( -0.426 2.942 -3.650) 4.708 22.348 ( 0.665 -2.146 -3.970) 4.562 22.348 ( 0.665 2.146 -3.970) 4.562 ======================= Grid point 73 (38/126) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -0.230 -3.281 6.786) 7.541 0.556 ( -0.230 3.281 6.786) 7.541 0.746 ( -3.636 -3.254 2.499) 5.483 0.746 ( -3.636 3.254 2.499) 5.483 0.898 ( -3.096 -0.815 5.188) 6.096 0.898 ( -3.096 0.815 5.188) 6.096 1.037 ( -1.025 -2.925 -1.563) 3.471 1.037 ( -1.025 2.925 -1.563) 3.471 1.107 ( -0.929 -2.419 -0.334) 2.612 1.107 ( -0.929 2.419 -0.334) 2.612 1.324 ( -5.612 -8.140 -2.139) 10.115 1.324 ( -5.612 8.140 -2.139) 10.115 1.832 ( -5.206 -5.208 12.409) 14.429 1.832 ( -5.206 5.208 12.409) 14.429 2.037 ( -5.987 -5.717 10.436) 13.320 2.037 ( -5.987 5.717 10.436) 13.320 2.238 ( -11.695 -4.715 10.574) 16.457 2.238 ( -11.695 4.715 10.574) 16.457 2.735 ( 2.957 -5.014 -4.327) 7.253 2.735 ( 2.957 5.014 -4.327) 7.253 3.872 ( -0.825 -0.715 -4.034) 4.179 3.872 ( -0.825 0.715 -4.034) 4.179 3.986 ( 1.968 -0.721 -3.359) 3.959 3.986 ( 1.968 0.721 -3.359) 3.959 5.136 ( 2.799 -4.081 -9.546) 10.753 5.136 ( 2.799 4.081 -9.546) 10.753 6.649 ( -3.494 -1.833 2.679) 4.769 6.649 ( -3.494 1.833 2.679) 4.769 6.919 ( -4.752 -1.569 4.345) 6.627 6.919 ( -4.752 1.569 4.345) 6.627 7.286 ( -3.664 -2.096 6.931) 8.115 7.286 ( -3.664 2.096 6.931) 8.115 7.363 ( 3.715 -2.548 -4.385) 6.287 7.363 ( 3.715 2.548 -4.385) 6.287 7.731 ( -3.681 -0.919 5.153) 6.399 7.731 ( -3.681 0.919 5.153) 6.399 9.475 ( 1.084 -0.729 -1.005) 1.648 9.475 ( 1.084 0.729 -1.005) 1.648 9.949 ( -0.285 -1.170 -0.987) 1.557 9.949 ( -0.285 1.170 -0.987) 1.557 11.507 ( 1.988 -1.524 -0.099) 2.507 11.507 ( 1.988 1.524 -0.099) 2.507 11.866 ( 2.298 -0.533 -4.332) 4.933 11.866 ( 2.298 0.533 -4.332) 4.933 14.190 ( -0.766 -0.291 1.174) 1.432 14.190 ( -0.766 0.291 1.174) 1.432 14.606 ( 0.270 -0.467 -0.833) 0.992 14.606 ( 0.270 0.467 -0.833) 0.992 18.647 ( -1.197 -0.607 0.940) 1.638 18.647 ( -1.197 0.607 0.940) 1.638 18.944 ( 1.608 -1.001 -0.066) 1.895 18.944 ( 1.608 1.001 -0.066) 1.895 19.622 ( -6.388 -2.351 12.200) 13.971 19.622 ( -6.388 2.351 12.200) 13.971 20.391 ( 2.076 -0.972 3.214) 3.948 20.391 ( 2.076 0.972 3.214) 3.948 22.048 ( -0.665 -1.929 -3.234) 3.824 22.048 ( -0.665 1.929 -3.234) 3.824 22.333 ( 1.086 -1.632 -3.433) 3.953 22.333 ( 1.086 1.632 -3.433) 3.953 ======================= Grid point 75 (39/126) ======================= q-point: (-0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -1.106 -5.071 5.442) 7.520 0.615 ( -1.106 5.071 5.442) 7.520 0.711 ( -3.057 -4.384 4.408) 6.928 0.711 ( -3.057 4.384 4.408) 6.928 0.834 ( -4.541 -0.290 1.034) 4.666 0.834 ( -4.541 0.290 1.034) 4.666 1.001 ( -1.990 -4.143 0.434) 4.616 1.001 ( -1.990 4.143 0.434) 4.616 1.084 ( -2.325 -1.989 2.262) 3.805 1.084 ( -2.325 1.989 2.262) 3.805 1.222 ( -3.225 -8.447 -0.515) 9.056 1.222 ( -3.225 8.447 -0.515) 9.056 1.839 ( -4.448 -3.502 10.071) 11.553 1.839 ( -4.448 3.502 10.071) 11.553 1.935 ( -10.952 -2.291 7.210) 13.311 1.935 ( -10.952 2.291 7.210) 13.311 2.157 ( -8.761 -2.909 14.809) 17.450 2.157 ( -8.761 2.909 14.809) 17.450 2.785 ( 6.089 -6.657 -6.110) 10.896 2.785 ( 6.089 6.657 -6.110) 10.896 3.821 ( -0.150 -0.252 -5.242) 5.251 3.821 ( -0.150 0.252 -5.242) 5.251 4.004 ( 2.215 -1.107 -1.982) 3.172 4.004 ( 2.215 1.107 -1.982) 3.172 5.120 ( 3.824 -4.779 -8.953) 10.845 5.120 ( 3.824 4.779 -8.953) 10.845 6.607 ( -3.185 -1.716 2.375) 4.328 6.607 ( -3.185 1.716 2.375) 4.328 6.863 ( -4.481 -1.876 3.546) 6.014 6.863 ( -4.481 1.876 3.546) 6.014 7.277 ( -3.776 -1.489 7.487) 8.517 7.277 ( -3.776 1.489 7.487) 8.517 7.397 ( 4.214 -2.445 -5.309) 7.206 7.397 ( 4.214 2.445 -5.309) 7.206 7.705 ( -3.794 -1.507 5.335) 6.718 7.705 ( -3.794 1.507 5.335) 6.718 9.483 ( 0.739 -0.665 -1.359) 1.684 9.483 ( 0.739 0.665 -1.359) 1.684 9.940 ( 0.072 -1.079 -0.600) 1.237 9.940 ( 0.072 1.079 -0.600) 1.237 11.536 ( 1.221 -1.590 -0.392) 2.043 11.536 ( 1.221 1.590 -0.392) 2.043 11.875 ( 2.387 -0.159 -4.134) 4.776 11.875 ( 2.387 0.159 -4.134) 4.776 14.185 ( -0.780 -0.215 1.130) 1.390 14.185 ( -0.780 0.215 1.130) 1.390 14.604 ( 0.285 -0.459 -0.920) 1.067 14.604 ( 0.285 0.459 -0.920) 1.067 18.636 ( -0.919 -0.869 1.171) 1.724 18.636 ( -0.919 0.869 1.171) 1.724 18.976 ( 1.419 -1.142 0.591) 1.916 18.976 ( 1.419 1.142 0.591) 1.916 19.582 ( -8.270 -2.933 10.975) 14.052 19.582 ( -8.270 2.933 10.975) 14.052 20.449 ( 1.184 -0.456 2.267) 2.599 20.449 ( 1.184 0.456 2.267) 2.599 22.026 ( 0.344 -0.793 -0.161) 0.879 22.026 ( 0.344 0.793 -0.161) 0.879 22.333 ( 1.502 -1.252 -2.367) 3.070 22.333 ( 1.502 1.252 -2.367) 3.070 ======================= Grid point 85 (40/126) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 1.877 0.000 9.539) 9.722 0.493 ( 0.405 0.000 7.732) 7.743 0.626 ( -0.619 0.000 4.135) 4.181 0.853 ( -0.356 0.000 2.268) 2.296 0.860 ( -3.740 0.000 -1.662) 4.093 0.946 ( 2.290 0.000 -0.637) 2.377 0.960 ( 1.147 0.000 -0.544) 1.270 0.988 ( -3.166 0.000 -0.425) 3.195 1.081 ( -3.373 0.000 -1.722) 3.787 1.158 ( 0.395 0.000 8.202) 8.211 1.196 ( -2.024 0.000 2.079) 2.902 1.407 ( 7.233 0.000 -2.533) 7.664 1.506 ( -1.980 0.000 6.294) 6.598 1.778 ( 9.979 0.000 2.093) 10.196 1.994 ( 1.207 0.000 -2.704) 2.961 2.207 ( -2.073 0.000 7.055) 7.353 2.389 ( -6.690 0.000 12.003) 13.742 2.571 ( -14.244 0.000 24.669) 28.486 2.827 ( -9.091 0.000 20.265) 22.211 2.887 ( -0.444 0.000 -3.726) 3.752 3.559 ( 3.042 0.000 -12.230) 12.603 3.712 ( 2.765 0.000 -7.370) 7.872 4.040 ( -2.455 0.000 9.296) 9.615 4.101 ( -3.772 0.000 4.505) 5.876 4.828 ( 5.964 0.000 -9.284) 11.035 5.064 ( 7.480 0.000 -11.215) 13.481 6.501 ( -0.565 0.000 -1.856) 1.940 6.619 ( -1.210 0.000 -1.930) 2.278 6.859 ( -3.174 0.000 6.020) 6.806 6.960 ( -0.802 0.000 3.853) 3.935 7.241 ( 1.962 0.000 -3.690) 4.179 7.306 ( 3.008 0.000 -6.681) 7.327 7.472 ( -5.218 0.000 13.259) 14.249 7.553 ( -6.338 0.000 14.046) 15.410 7.723 ( -2.131 0.000 7.196) 7.505 7.885 ( -3.025 0.000 7.214) 7.822 9.418 ( 0.423 0.000 -2.989) 3.019 9.455 ( 0.804 0.000 -2.191) 2.334 9.895 ( 0.902 0.000 -2.123) 2.307 9.953 ( 1.663 0.000 -1.741) 2.408 11.481 ( -0.353 0.000 -0.885) 0.953 11.565 ( -0.005 0.000 -1.382) 1.382 11.772 ( 3.380 0.000 -6.266) 7.119 11.796 ( 3.783 0.000 -5.814) 6.937 14.210 ( -1.074 0.000 2.180) 2.430 14.217 ( -1.060 0.000 2.193) 2.436 14.562 ( 0.760 0.000 -1.864) 2.012 14.583 ( 0.792 0.000 -2.064) 2.211 18.638 ( -0.734 0.000 2.676) 2.774 18.711 ( -0.790 0.000 3.129) 3.227 18.977 ( 1.521 0.000 -0.753) 1.697 19.031 ( -0.388 0.000 -1.229) 1.289 19.675 ( -7.807 0.000 12.267) 14.540 19.900 ( -15.420 0.000 8.777) 17.743 20.433 ( -2.341 0.000 3.325) 4.066 20.524 ( -2.077 0.000 3.916) 4.433 22.036 ( 0.853 0.000 0.555) 1.017 22.235 ( 2.063 0.000 -4.918) 5.333 22.285 ( 5.746 0.000 -0.570) 5.774 22.356 ( 3.094 0.000 -1.870) 3.615 ======================= Grid point 86 (41/126) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -0.841 0.000 2.100) 2.262 0.649 ( 10.982 0.000 2.190) 11.198 0.736 ( 4.709 0.000 8.222) 9.475 0.792 ( -1.616 0.000 -3.225) 3.607 0.848 ( -2.093 0.000 1.873) 2.809 0.930 ( -1.437 0.000 -2.215) 2.640 0.969 ( -1.348 0.000 -1.049) 1.708 0.979 ( 2.053 0.000 -1.020) 2.292 1.017 ( 0.355 0.000 0.176) 0.396 1.190 ( -1.102 0.000 1.760) 2.077 1.253 ( 2.669 0.000 9.234) 9.612 1.477 ( 3.661 0.000 -5.286) 6.430 1.534 ( -0.462 0.000 6.073) 6.090 2.038 ( 13.029 0.000 -7.878) 15.226 2.085 ( 13.713 0.000 -0.906) 13.743 2.204 ( -3.998 0.000 6.063) 7.262 2.372 ( -5.420 0.000 10.426) 11.751 2.539 ( -11.792 0.000 27.708) 30.113 2.810 ( -10.781 0.000 20.026) 22.744 2.811 ( -5.020 0.000 -1.997) 5.403 3.560 ( 7.671 0.000 -11.062) 13.461 3.722 ( 5.015 0.000 -7.334) 8.885 4.042 ( -4.607 0.000 4.317) 6.314 4.067 ( -3.587 0.000 7.471) 8.287 4.873 ( 6.525 0.000 -8.231) 10.504 5.107 ( 6.539 0.000 -9.799) 11.781 6.494 ( 1.820 0.000 -2.829) 3.364 6.593 ( 0.836 0.000 -3.264) 3.370 6.883 ( -0.270 0.000 6.573) 6.579 7.011 ( 2.272 0.000 4.140) 4.722 7.245 ( 2.005 0.000 -4.052) 4.521 7.312 ( 3.372 0.000 -6.239) 7.092 7.486 ( -5.254 0.000 13.369) 14.365 7.537 ( -7.804 0.000 13.205) 15.338 7.758 ( -1.581 0.000 8.991) 9.129 7.886 ( -3.496 0.000 7.512) 8.285 9.397 ( 0.347 0.000 -3.559) 3.576 9.453 ( 0.946 0.000 -2.156) 2.354 9.895 ( 1.201 0.000 -2.427) 2.707 9.971 ( 1.762 0.000 -1.893) 2.586 11.460 ( -1.068 0.000 -0.746) 1.302 11.541 ( -1.196 0.000 -1.480) 1.903 11.777 ( 2.534 0.000 -5.650) 6.192 11.812 ( 3.046 0.000 -5.695) 6.458 14.209 ( -0.940 0.000 2.204) 2.396 14.220 ( -0.741 0.000 2.176) 2.299 14.562 ( 0.875 0.000 -1.821) 2.020 14.582 ( 1.003 0.000 -2.048) 2.280 18.651 ( -0.358 0.000 2.732) 2.755 18.724 ( -0.731 0.000 3.200) 3.282 18.985 ( 0.202 0.000 -1.495) 1.509 19.011 ( -0.678 0.000 -0.913) 1.138 19.658 ( -5.802 0.000 14.138) 15.283 19.768 ( -9.600 0.000 14.367) 17.279 20.405 ( -3.571 0.000 3.245) 4.825 20.503 ( -3.553 0.000 3.711) 5.137 22.048 ( 0.226 0.000 -0.520) 0.567 22.230 ( 1.957 0.000 -5.247) 5.601 22.325 ( 0.632 0.000 -2.320) 2.404 22.388 ( 2.254 0.000 -2.388) 3.284 ======================= Grid point 87 (42/126) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.454 0.000 2.545) 2.585 0.745 ( -0.513 0.000 -3.024) 3.067 0.804 ( 5.609 0.000 -1.714) 5.865 0.809 ( -3.021 0.000 1.668) 3.451 0.858 ( 2.724 0.000 1.904) 3.323 0.904 ( 0.246 0.000 -1.105) 1.132 0.964 ( 1.390 0.000 2.589) 2.939 0.999 ( 0.942 0.000 -1.484) 1.758 1.063 ( 2.147 0.000 1.941) 2.894 1.177 ( -1.177 0.000 0.488) 1.274 1.382 ( 3.597 0.000 3.244) 4.844 1.478 ( 2.895 0.000 -6.246) 6.884 1.593 ( 1.160 0.000 6.757) 6.856 2.135 ( 4.040 0.000 -1.346) 4.259 2.167 ( -4.886 0.000 4.754) 6.818 2.358 ( -5.183 0.000 9.933) 11.204 2.363 ( 15.797 0.000 -4.826) 16.517 2.626 ( -2.700 0.000 24.196) 24.346 2.692 ( -6.766 0.000 1.336) 6.897 2.775 ( -11.903 0.000 22.623) 25.563 3.643 ( 9.926 0.000 -9.503) 13.742 3.770 ( 6.317 0.000 -6.798) 9.280 3.987 ( -4.460 0.000 3.486) 5.660 4.062 ( -3.677 0.000 6.929) 7.844 4.920 ( 5.662 0.000 -7.924) 9.739 5.133 ( 4.938 0.000 -9.735) 10.916 6.518 ( 3.758 0.000 -3.796) 5.341 6.599 ( 3.137 0.000 -4.067) 5.137 6.947 ( 0.877 0.000 6.995) 7.049 7.093 ( 2.416 0.000 4.232) 4.873 7.248 ( 1.757 0.000 -3.517) 3.931 7.318 ( 2.127 0.000 -5.035) 5.465 7.488 ( -7.996 0.000 13.190) 15.424 7.507 ( -4.961 0.000 12.045) 13.026 7.807 ( -1.529 0.000 9.437) 9.560 7.882 ( -3.668 0.000 7.379) 8.240 9.377 ( 0.776 0.000 -3.410) 3.497 9.454 ( 1.002 0.000 -2.008) 2.244 9.900 ( 1.475 0.000 -2.258) 2.697 9.982 ( 1.319 0.000 -2.418) 2.755 11.434 ( -1.038 0.000 -0.568) 1.184 11.503 ( -1.461 0.000 -1.407) 2.028 11.771 ( 1.810 0.000 -5.444) 5.737 11.813 ( 2.374 0.000 -6.036) 6.486 14.212 ( -0.789 0.000 2.206) 2.343 14.225 ( -0.698 0.000 2.184) 2.293 14.564 ( 0.951 0.000 -1.735) 1.979 14.585 ( 1.130 0.000 -1.968) 2.270 18.666 ( -0.416 0.000 2.421) 2.456 18.735 ( -0.973 0.000 2.993) 3.148 18.962 ( -1.030 0.000 -1.625) 1.924 18.988 ( -1.072 0.000 -1.021) 1.480 19.694 ( -3.965 0.000 15.673) 16.167 19.761 ( -5.358 0.000 15.633) 16.526 20.364 ( -3.707 0.000 3.611) 5.175 20.462 ( -3.977 0.000 3.621) 5.378 22.036 ( -0.357 0.000 -1.717) 1.753 22.219 ( 1.848 0.000 -5.581) 5.879 22.291 ( -1.512 0.000 -3.126) 3.473 22.396 ( 1.304 0.000 -3.625) 3.852 ======================= Grid point 88 (43/126) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -0.153 0.000 2.938) 2.941 0.728 ( 0.559 0.000 -1.423) 1.529 0.795 ( -0.845 0.000 4.415) 4.495 0.851 ( 2.229 0.000 -1.956) 2.965 0.891 ( 0.771 0.000 -0.216) 0.801 0.914 ( 1.031 0.000 -1.482) 1.805 0.986 ( -1.287 0.000 0.584) 1.413 1.006 ( 0.907 0.000 -0.590) 1.082 1.105 ( 0.801 0.000 1.784) 1.956 1.162 ( -1.446 0.000 0.922) 1.715 1.390 ( -0.490 0.000 -4.220) 4.248 1.510 ( 3.856 0.000 -4.648) 6.040 1.687 ( 2.042 0.000 8.041) 8.296 2.098 ( -6.120 0.000 2.953) 6.795 2.195 ( 0.150 0.000 7.233) 7.234 2.364 ( -3.269 0.000 11.522) 11.977 2.531 ( 6.603 0.000 -6.447) 9.229 2.607 ( -4.979 0.000 4.362) 6.620 2.771 ( -8.592 0.000 23.480) 25.003 2.788 ( -0.573 0.000 18.372) 18.381 3.742 ( 8.410 0.000 -8.474) 11.939 3.828 ( 5.719 0.000 -6.370) 8.560 3.942 ( -3.766 0.000 4.172) 5.620 4.048 ( -3.779 0.000 6.229) 7.286 4.944 ( 4.336 0.000 -8.423) 9.473 5.122 ( 3.203 0.000 -11.118) 11.570 6.563 ( 4.591 0.000 -4.182) 6.210 6.636 ( 4.344 0.000 -4.011) 5.912 7.018 ( 0.150 0.000 7.121) 7.123 7.153 ( -0.086 0.000 4.319) 4.320 7.251 ( 1.427 0.000 -2.910) 3.241 7.303 ( -0.026 0.000 -2.964) 2.964 7.447 ( -7.338 0.000 12.011) 14.075 7.527 ( -4.044 0.000 11.904) 12.572 7.849 ( -2.184 0.000 7.950) 8.244 7.875 ( -3.482 0.000 7.163) 7.964 9.373 ( 1.530 0.000 -2.554) 2.977 9.456 ( 0.972 0.000 -1.823) 2.066 9.909 ( 1.264 0.000 -2.007) 2.372 9.981 ( 0.883 0.000 -2.719) 2.859 11.416 ( -0.394 0.000 -0.526) 0.657 11.473 ( -0.406 0.000 -1.124) 1.195 11.756 ( 1.670 0.000 -5.678) 5.918 11.800 ( 2.081 0.000 -6.762) 7.075 14.216 ( -0.800 0.000 2.194) 2.335 14.230 ( -0.734 0.000 2.240) 2.357 14.568 ( 0.937 0.000 -1.654) 1.901 14.590 ( 1.103 0.000 -1.874) 2.175 18.674 ( -0.725 0.000 1.982) 2.111 18.736 ( -1.434 0.000 2.547) 2.923 18.926 ( -1.396 0.000 -1.285) 1.897 18.958 ( -1.156 0.000 -0.861) 1.442 19.764 ( -3.227 0.000 16.466) 16.780 19.811 ( -3.754 0.000 15.681) 16.125 20.337 ( -2.657 0.000 4.268) 5.028 20.425 ( -3.145 0.000 3.673) 4.835 22.012 ( -0.301 0.000 -2.382) 2.401 22.207 ( 1.930 0.000 -5.595) 5.918 22.226 ( -2.111 0.000 -4.247) 4.743 22.377 ( 0.617 0.000 -4.997) 5.035 ======================= Grid point 89 (44/126) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.122 0.000 3.315) 3.317 0.732 ( 0.193 0.000 -0.286) 0.345 0.843 ( 1.063 0.000 4.885) 4.999 0.873 ( -0.570 0.000 -0.356) 0.672 0.880 ( -1.253 0.000 -1.317) 1.818 0.895 ( 0.755 0.000 -0.031) 0.756 0.984 ( -1.530 0.000 -3.122) 3.477 1.001 ( 0.796 0.000 3.851) 3.932 1.122 ( -1.806 0.000 1.951) 2.658 1.138 ( -1.000 0.000 2.699) 2.878 1.328 ( -2.595 0.000 -3.896) 4.681 1.516 ( 1.621 0.000 -6.108) 6.319 1.774 ( -1.514 0.000 9.086) 9.211 2.014 ( -3.968 0.000 1.891) 4.396 2.248 ( -2.035 0.000 7.856) 8.115 2.426 ( -1.513 0.000 11.778) 11.874 2.529 ( -1.852 0.000 -0.752) 1.999 2.586 ( -1.281 0.000 5.729) 5.871 2.794 ( -9.711 0.000 19.399) 21.693 2.887 ( -3.657 0.000 13.670) 14.151 3.798 ( 4.963 0.000 -7.914) 9.341 3.862 ( 3.449 0.000 -6.433) 7.299 3.922 ( -2.994 0.000 5.883) 6.601 4.029 ( -3.641 0.000 5.919) 6.949 4.940 ( 3.141 0.000 -9.053) 9.582 5.070 ( 2.526 0.000 -13.375) 13.612 6.609 ( 3.676 0.000 -3.697) 5.214 6.682 ( 3.617 0.000 -3.285) 4.886 7.060 ( -1.980 0.000 6.657) 6.945 7.157 ( -3.207 0.000 4.227) 5.306 7.249 ( 0.310 0.000 -2.205) 2.227 7.279 ( 0.208 0.000 -1.707) 1.719 7.423 ( -5.960 0.000 11.461) 12.918 7.552 ( -4.105 0.000 11.993) 12.676 7.843 ( -3.722 0.000 4.883) 6.139 7.882 ( -3.053 0.000 7.764) 8.342 9.389 ( 1.934 0.000 -1.631) 2.529 9.459 ( 0.945 0.000 -1.574) 1.836 9.910 ( 0.644 0.000 -2.035) 2.134 9.973 ( 0.658 0.000 -2.443) 2.530 11.414 ( 0.684 0.000 -0.472) 0.832 11.473 ( 1.276 0.000 -0.923) 1.575 11.742 ( 2.209 0.000 -6.170) 6.553 11.780 ( 2.284 0.000 -7.553) 7.891 14.218 ( -0.919 0.000 2.177) 2.363 14.234 ( -0.854 0.000 2.264) 2.420 14.570 ( 0.828 0.000 -1.633) 1.831 14.594 ( 0.949 0.000 -1.817) 2.050 18.672 ( -1.058 0.000 1.651) 1.961 18.725 ( -1.776 0.000 2.161) 2.797 18.897 ( -0.766 0.000 -0.772) 1.087 18.941 ( -0.023 0.000 -0.205) 0.206 19.828 ( -4.782 0.000 15.371) 16.098 19.884 ( -2.397 0.000 16.323) 16.498 20.340 ( -1.145 0.000 4.782) 4.917 20.413 ( -1.544 0.000 3.842) 4.140 21.990 ( 0.205 0.000 -2.346) 2.355 22.149 ( -1.964 0.000 -5.034) 5.403 22.201 ( 2.277 0.000 -5.025) 5.517 22.341 ( 0.498 0.000 -5.912) 5.933 ======================= Grid point 90 (45/126) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -1.640 0.000 1.863) 2.482 0.726 ( -1.228 0.000 1.607) 2.022 0.809 ( -4.164 0.000 0.742) 4.229 0.830 ( -2.538 0.000 -0.096) 2.539 0.895 ( -3.731 0.000 -5.073) 6.297 0.913 ( 1.208 0.000 3.403) 3.611 0.957 ( 1.654 0.000 5.113) 5.374 1.058 ( 1.800 0.000 2.644) 3.199 1.120 ( -0.457 0.000 2.422) 2.465 1.158 ( -0.116 0.000 5.097) 5.098 1.229 ( -5.563 0.000 -1.052) 5.662 1.471 ( -0.623 0.000 -6.740) 6.769 1.740 ( -8.487 0.000 6.015) 10.402 2.022 ( 1.223 0.000 4.586) 4.747 2.214 ( -6.670 0.000 1.755) 6.897 2.460 ( -5.221 0.000 11.465) 12.597 2.475 ( -4.586 0.000 -0.127) 4.588 2.672 ( 5.240 0.000 4.428) 6.860 2.731 ( -14.348 0.000 21.462) 25.816 2.883 ( -8.375 0.000 12.979) 15.446 3.794 ( 2.113 0.000 -8.391) 8.653 3.843 ( 0.468 0.000 -6.521) 6.538 3.929 ( -2.513 0.000 7.795) 8.190 4.020 ( -2.643 0.000 6.279) 6.813 4.908 ( 1.615 0.000 -9.428) 9.565 5.011 ( 4.502 0.000 -15.111) 15.767 6.625 ( 0.676 0.000 -2.535) 2.624 6.708 ( 1.627 0.000 -2.261) 2.786 7.053 ( -4.346 0.000 5.688) 7.158 7.111 ( -5.242 0.000 3.698) 6.415 7.229 ( -0.658 0.000 -0.552) 0.858 7.288 ( 2.625 0.000 -3.450) 4.335 7.417 ( -5.103 0.000 11.582) 12.656 7.571 ( -4.977 0.000 12.338) 13.304 7.805 ( -4.290 0.000 3.768) 5.709 7.883 ( -3.418 0.000 7.040) 7.826 9.410 ( 1.620 0.000 -1.358) 2.114 9.465 ( 1.006 0.000 -1.374) 1.703 9.901 ( 0.365 0.000 -2.062) 2.094 9.964 ( 0.380 0.000 -2.033) 2.068 11.433 ( 1.717 0.000 -0.374) 1.757 11.500 ( 2.355 0.000 -0.973) 2.548 11.737 ( 3.134 0.000 -6.596) 7.303 11.762 ( 2.891 0.000 -7.945) 8.455 14.218 ( -1.072 0.000 2.149) 2.401 14.236 ( -1.024 0.000 2.193) 2.420 14.571 ( 0.695 0.000 -1.684) 1.821 14.594 ( 0.758 0.000 -1.827) 1.978 18.663 ( -1.436 0.000 1.530) 2.099 18.710 ( -1.686 0.000 2.172) 2.750 18.890 ( 0.593 0.000 -0.291) 0.660 18.957 ( 1.671 0.000 0.465) 1.735 19.839 ( -6.920 0.000 13.369) 15.054 19.993 ( -0.707 0.000 16.639) 16.654 20.370 ( -0.102 0.000 4.730) 4.731 20.432 ( -0.019 0.000 4.122) 4.122 21.983 ( 0.704 0.000 -1.425) 1.589 22.076 ( -1.486 0.000 -4.584) 4.819 22.209 ( 2.705 0.000 -3.989) 4.820 22.304 ( 1.050 0.000 -6.036) 6.126 ======================= Grid point 91 (46/126) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -6.675 0.000 2.045) 6.981 0.690 ( -7.017 0.000 2.765) 7.542 0.751 ( -4.337 0.000 0.606) 4.379 0.788 ( -1.033 0.000 1.222) 1.600 0.810 ( -0.819 0.000 -1.058) 1.338 0.947 ( 0.289 0.000 1.514) 1.541 1.005 ( -1.278 0.000 3.083) 3.338 1.050 ( -3.718 0.000 1.333) 3.950 1.120 ( -1.144 0.000 1.743) 2.085 1.174 ( -2.208 0.000 4.814) 5.297 1.219 ( 1.259 0.000 4.584) 4.754 1.395 ( -0.830 0.000 -6.478) 6.531 1.611 ( -8.993 0.000 3.968) 9.830 2.029 ( -12.631 0.000 -3.320) 13.060 2.095 ( 0.983 0.000 7.098) 7.166 2.308 ( -11.306 0.000 -3.733) 11.906 2.445 ( -6.892 0.000 12.349) 14.142 2.673 ( -12.997 0.000 24.366) 27.615 2.805 ( 6.154 0.000 0.403) 6.167 2.827 ( -10.163 0.000 17.101) 19.893 3.736 ( 0.157 0.000 -10.672) 10.673 3.786 ( -0.516 0.000 -5.863) 5.886 3.956 ( -2.097 0.000 8.999) 9.240 4.044 ( -0.910 0.000 7.550) 7.605 4.852 ( 1.806 0.000 -10.455) 10.610 4.995 ( 6.963 0.000 -14.245) 15.856 6.594 ( -1.894 0.000 -1.594) 2.476 6.701 ( -0.822 0.000 -1.265) 1.508 6.996 ( -6.277 0.000 4.189) 7.547 7.039 ( -5.439 0.000 3.485) 6.460 7.224 ( 0.726 0.000 -0.941) 1.188 7.306 ( 2.945 0.000 -5.068) 5.862 7.427 ( -4.538 0.000 12.267) 13.080 7.570 ( -6.422 0.000 12.501) 14.054 7.755 ( -4.197 0.000 3.654) 5.564 7.878 ( -3.209 0.000 6.778) 7.500 9.424 ( 1.171 0.000 -1.566) 1.956 9.469 ( 0.720 0.000 -1.746) 1.889 9.893 ( 0.609 0.000 -1.760) 1.862 9.953 ( 0.305 0.000 -1.992) 2.016 11.464 ( 1.811 0.000 -0.511) 1.882 11.537 ( 2.365 0.000 -1.095) 2.607 11.747 ( 3.902 0.000 -6.836) 7.871 11.757 ( 3.583 0.000 -7.519) 8.329 14.215 ( -1.175 0.000 2.133) 2.435 14.233 ( -1.233 0.000 2.011) 2.359 14.568 ( 0.625 0.000 -1.771) 1.878 14.591 ( 0.630 0.000 -1.903) 2.004 18.647 ( -1.636 0.000 1.757) 2.401 18.702 ( -1.326 0.000 2.494) 2.824 18.911 ( 1.740 0.000 -0.044) 1.741 19.002 ( 2.484 0.000 0.141) 2.488 19.800 ( -8.506 0.000 11.822) 14.564 20.121 ( 0.590 0.000 11.781) 11.796 20.407 ( -0.010 0.000 4.219) 4.219 20.474 ( 0.513 0.000 4.317) 4.347 21.998 ( 1.247 0.000 0.975) 1.583 22.031 ( 0.198 0.000 -1.300) 1.315 22.229 ( 2.543 0.000 -3.553) 4.369 22.287 ( 2.346 0.000 -4.880) 5.415 ======================= Grid point 92 (47/126) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.470 0.000 8.398) 9.514 0.511 ( -13.670 0.000 6.606) 15.182 0.666 ( -3.430 0.000 -1.600) 3.785 0.827 ( 0.572 0.000 2.737) 2.796 0.851 ( 5.041 0.000 3.750) 6.283 0.954 ( -0.083 0.000 0.235) 0.249 0.957 ( -3.541 0.000 -1.677) 3.918 1.019 ( -3.469 0.000 5.663) 6.641 1.115 ( -0.911 0.000 1.331) 1.613 1.143 ( -3.675 0.000 1.942) 4.157 1.238 ( -2.085 0.000 0.670) 2.190 1.353 ( 0.218 0.000 -2.607) 2.617 1.514 ( -5.214 0.000 5.867) 7.849 1.763 ( -10.461 0.000 1.058) 10.514 2.082 ( -8.293 0.000 -2.658) 8.708 2.165 ( -0.258 0.000 7.725) 7.729 2.417 ( -7.393 0.000 12.718) 14.710 2.629 ( -13.520 0.000 23.435) 27.055 2.815 ( -8.808 0.000 21.076) 22.843 2.886 ( 3.611 0.000 -2.955) 4.666 3.637 ( -0.053 0.000 -11.996) 11.996 3.737 ( 0.876 0.000 -6.611) 6.669 3.999 ( -1.836 0.000 9.646) 9.819 4.096 ( -0.797 0.000 6.762) 6.809 4.817 ( 3.979 0.000 -10.319) 11.059 5.022 ( 7.871 0.000 -12.858) 15.076 6.542 ( -2.187 0.000 -1.375) 2.583 6.663 ( -1.990 0.000 -1.035) 2.243 6.907 ( -6.475 0.000 4.315) 7.781 6.978 ( -4.093 0.000 3.462) 5.361 7.233 ( 1.625 0.000 -2.391) 2.891 7.310 ( 2.641 0.000 -6.278) 6.810 7.452 ( -4.346 0.000 12.862) 13.576 7.553 ( -6.737 0.000 13.737) 15.301 7.721 ( -3.215 0.000 4.983) 5.930 7.879 ( -2.857 0.000 6.891) 7.459 9.428 ( 0.845 0.000 -2.073) 2.239 9.462 ( 0.421 0.000 -2.219) 2.259 9.894 ( 0.889 0.000 -1.596) 1.827 9.946 ( 0.831 0.000 -2.033) 2.196 11.484 ( 0.850 0.000 -0.809) 1.173 11.563 ( 1.414 0.000 -1.231) 1.874 11.760 ( 3.840 0.000 -7.050) 8.028 11.772 ( 4.131 0.000 -6.262) 7.501 14.212 ( -1.108 0.000 2.180) 2.445 14.224 ( -1.436 0.000 1.982) 2.447 14.565 ( 0.657 0.000 -1.844) 1.957 14.587 ( 0.639 0.000 -2.002) 2.102 18.636 ( -1.318 0.000 2.258) 2.614 18.703 ( -1.021 0.000 2.859) 3.036 18.947 ( 2.050 0.000 -0.188) 2.058 19.035 ( 1.263 0.000 -1.025) 1.627 19.733 ( -8.888 0.000 11.296) 14.374 20.118 ( -9.104 0.000 2.105) 9.344 20.433 ( -0.870 0.000 3.704) 3.804 20.513 ( -0.372 0.000 4.179) 4.195 22.015 ( 0.666 0.000 0.640) 0.923 22.128 ( 7.693 0.000 4.354) 8.840 22.236 ( 2.065 0.000 -4.553) 4.999 22.312 ( 3.396 0.000 -2.558) 4.252 ======================= Grid point 93 (48/126) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -2.354 3.514 7.295) 8.432 0.582 ( -0.206 4.136 1.500) 4.405 0.660 ( 1.321 1.312 1.599) 2.455 0.808 ( -2.074 -2.766 -0.206) 3.464 0.869 ( -3.168 0.125 0.324) 3.187 0.931 ( 2.123 -0.851 0.567) 2.356 0.964 ( 2.010 0.183 1.343) 2.424 0.985 ( -0.212 0.614 -1.681) 1.803 1.127 ( -1.207 1.810 -0.555) 2.245 1.169 ( -0.859 2.821 5.939) 6.631 1.197 ( 1.133 -1.219 2.691) 3.164 1.372 ( 3.884 -2.907 -1.018) 4.957 1.639 ( -4.457 9.073 2.350) 10.378 1.853 ( 6.293 5.694 1.766) 8.669 1.963 ( 1.381 -1.935 -1.031) 2.591 2.167 ( -3.478 -3.502 6.900) 8.484 2.417 ( -6.090 3.026 12.120) 13.897 2.596 ( -12.513 0.756 24.384) 27.418 2.782 ( -5.030 -3.036 7.147) 9.252 2.851 ( -4.355 -2.902 7.371) 9.040 3.579 ( 3.329 1.792 -11.580) 12.182 3.684 ( 3.184 -2.254 -8.342) 9.209 4.052 ( -2.520 0.973 8.845) 9.248 4.093 ( -3.368 -0.660 5.765) 6.709 4.861 ( 6.268 2.934 -9.375) 11.652 5.025 ( 7.392 -3.235 -10.733) 13.428 6.532 ( -0.758 2.266 -2.400) 3.386 6.609 ( -1.226 -0.950 -2.098) 2.609 6.874 ( -2.937 1.283 5.571) 6.427 6.944 ( -1.269 -1.387 4.023) 4.441 7.257 ( 2.294 1.247 -4.332) 5.058 7.301 ( 2.894 -0.459 -6.389) 7.029 7.475 ( -5.276 0.460 13.065) 14.097 7.532 ( -6.125 -1.651 13.625) 15.029 7.756 ( -2.503 2.614 7.394) 8.232 7.866 ( -3.009 -1.662 7.354) 8.118 9.423 ( 0.381 0.411 -2.906) 2.960 9.448 ( 0.632 -0.556 -2.277) 2.428 9.905 ( 1.064 0.854 -2.038) 2.452 9.946 ( 1.623 -0.647 -1.828) 2.529 11.493 ( -0.280 1.053 -0.973) 1.461 11.552 ( -0.026 -1.139 -1.328) 1.749 11.777 ( 3.426 0.412 -6.193) 7.089 11.794 ( 3.700 -0.221 -5.859) 6.933 14.211 ( -1.064 0.077 2.187) 2.434 14.216 ( -1.042 -0.110 2.196) 2.433 14.566 ( 0.763 0.278 -1.902) 2.068 14.580 ( 0.786 -0.247 -2.053) 2.212 18.649 ( -0.749 1.004 2.734) 3.007 18.701 ( -0.794 -0.892 3.044) 3.270 18.983 ( 1.307 0.545 -0.713) 1.585 19.021 ( -0.015 -0.880 -0.960) 1.302 19.688 ( -8.126 1.288 12.609) 15.056 19.829 ( -12.672 -5.044 11.845) 18.065 20.457 ( -2.459 1.800 2.714) 4.081 20.521 ( -2.264 -0.516 3.332) 4.061 22.053 ( 1.230 1.602 0.709) 2.141 22.191 ( 3.471 -3.975 -1.166) 5.405 22.283 ( 3.269 0.783 -1.929) 3.875 22.343 ( 2.994 -1.139 -2.007) 3.780 ======================= Grid point 94 (49/126) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 1.189 0.639 3.411) 3.668 0.620 ( 4.002 -1.648 4.385) 6.161 0.724 ( 2.765 -1.046 -2.029) 3.585 0.782 ( 0.181 -1.781 0.604) 1.890 0.846 ( 0.465 2.230 0.794) 2.412 0.944 ( -0.317 -0.606 -0.061) 0.687 0.995 ( 1.728 1.063 -1.083) 2.300 1.005 ( 2.336 1.222 -0.672) 2.721 1.052 ( -3.679 4.006 -2.812) 6.123 1.186 ( -0.454 -0.339 1.024) 1.170 1.281 ( 2.902 2.099 6.813) 7.696 1.431 ( 3.753 -3.915 -3.804) 6.624 1.638 ( -0.293 8.726 5.077) 10.099 2.024 ( 8.606 -5.150 1.150) 10.095 2.056 ( 9.249 1.044 -4.190) 10.207 2.166 ( 0.553 -2.638 3.920) 4.757 2.405 ( -5.338 3.413 11.071) 12.756 2.585 ( -11.033 1.952 26.366) 28.648 2.722 ( -6.013 -3.851 3.491) 7.948 2.816 ( -8.934 -1.935 14.395) 17.052 3.586 ( 7.455 2.201 -10.673) 13.203 3.698 ( 5.693 -2.055 -8.119) 10.127 4.052 ( -4.321 0.787 4.886) 6.570 4.070 ( -3.728 0.175 7.077) 8.001 4.908 ( 6.567 3.102 -8.321) 11.044 5.073 ( 6.631 -2.991 -9.420) 11.902 6.515 ( 1.485 1.711 -3.111) 3.848 6.583 ( 0.904 -0.932 -3.272) 3.521 6.896 ( -0.128 1.288 6.136) 6.272 6.985 ( 1.637 -2.071 4.370) 5.105 7.263 ( 2.392 1.357 -4.518) 5.289 7.307 ( 3.240 -0.464 -6.031) 6.862 7.486 ( -5.454 0.129 13.243) 14.323 7.521 ( -7.252 -1.198 13.165) 15.078 7.782 ( -2.051 2.031 8.846) 9.305 7.871 ( -3.299 -1.333 7.791) 8.565 9.403 ( 0.391 0.567 -3.320) 3.391 9.442 ( 0.822 -0.890 -2.286) 2.587 9.908 ( 1.309 1.145 -2.375) 2.943 9.962 ( 1.709 -0.839 -2.030) 2.783 11.471 ( -1.088 1.023 -0.857) 1.722 11.529 ( -1.172 -1.087 -1.376) 2.109 11.783 ( 2.579 0.517 -5.661) 6.242 11.807 ( 2.947 -0.375 -5.679) 6.409 14.211 ( -0.909 0.125 2.200) 2.384 14.218 ( -0.773 -0.146 2.182) 2.320 14.565 ( 0.894 0.268 -1.861) 2.081 14.579 ( 0.984 -0.250 -2.024) 2.264 18.662 ( -0.420 0.981 2.793) 2.990 18.714 ( -0.689 -0.909 3.118) 3.320 18.988 ( 0.098 0.307 -1.371) 1.408 19.007 ( -0.513 -0.381 -0.962) 1.155 19.669 ( -6.005 0.968 14.297) 15.538 19.743 ( -8.462 -1.955 14.641) 17.023 20.424 ( -3.671 1.571 3.068) 5.036 20.493 ( -3.681 -0.950 3.397) 5.098 22.071 ( 0.488 2.145 -0.581) 2.275 22.210 ( 1.650 -2.414 -3.843) 4.828 22.312 ( 1.233 -0.059 -2.111) 2.445 22.373 ( 2.146 -1.389 -2.488) 3.567 ======================= Grid point 95 (50/126) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.145 1.782 2.255) 2.878 0.684 ( -0.007 -4.230 -0.536) 4.264 0.781 ( 3.612 -1.392 1.613) 4.193 0.793 ( 1.034 -0.831 0.166) 1.337 0.891 ( 2.000 1.800 0.509) 2.738 0.927 ( -0.701 0.912 -1.515) 1.902 0.981 ( -0.350 2.733 -0.469) 2.795 1.017 ( 1.135 1.071 -0.443) 1.622 1.057 ( 1.853 -0.582 1.289) 2.331 1.163 ( -1.925 -1.813 -0.923) 2.801 1.393 ( 4.336 0.882 1.725) 4.749 1.452 ( 3.135 -1.911 -5.038) 6.234 1.684 ( 0.302 7.460 5.529) 9.290 2.061 ( -3.519 -7.194 3.459) 8.724 2.177 ( 4.418 1.976 -0.954) 4.932 2.292 ( 4.902 -2.331 2.759) 6.089 2.448 ( 4.673 3.524 3.627) 6.886 2.626 ( -4.896 -4.575 7.378) 9.967 2.662 ( -6.050 2.869 21.961) 22.959 2.777 ( -10.642 -0.677 20.771) 23.349 3.663 ( 9.396 1.781 -9.293) 13.335 3.752 ( 6.944 -1.527 -7.397) 10.260 4.004 ( -4.450 1.413 3.903) 6.086 4.057 ( -3.910 -0.546 6.386) 7.508 4.953 ( 5.539 2.908 -8.198) 10.312 5.103 ( 5.038 -2.622 -9.455) 11.030 6.534 ( 3.618 1.292 -3.857) 5.444 6.591 ( 3.240 -0.795 -4.058) 5.253 6.960 ( 0.919 1.212 6.599) 6.772 7.059 ( 1.944 -2.634 4.524) 5.584 7.268 ( 1.850 1.422 -3.740) 4.408 7.313 ( 2.059 -0.491 -4.830) 5.274 7.486 ( -7.420 -0.087 12.976) 14.948 7.499 ( -5.181 -0.580 12.229) 13.294 7.822 ( -1.865 1.257 9.127) 9.400 7.875 ( -3.346 -0.678 7.685) 8.409 9.386 ( 0.816 0.843 -3.151) 3.362 9.440 ( 0.973 -1.138 -2.150) 2.620 9.914 ( 1.455 1.209 -2.324) 2.997 9.972 ( 1.343 -0.921 -2.445) 2.938 11.444 ( -1.110 0.851 -0.697) 1.563 11.492 ( -1.409 -0.935 -1.297) 2.131 11.778 ( 1.877 0.587 -5.521) 5.861 11.807 ( 2.279 -0.491 -5.936) 6.378 14.214 ( -0.777 0.154 2.203) 2.341 14.223 ( -0.714 -0.177 2.189) 2.309 14.567 ( 0.980 0.279 -1.772) 2.044 14.582 ( 1.106 -0.264 -1.938) 2.247 18.676 ( -0.501 0.911 2.496) 2.704 18.725 ( -0.897 -0.870 2.896) 3.154 18.966 ( -1.037 0.327 -1.515) 1.865 18.984 ( -1.069 -0.347 -1.092) 1.567 19.702 ( -4.089 0.738 15.673) 16.214 19.749 ( -5.043 -1.016 15.662) 16.485 20.380 ( -3.790 1.388 3.521) 5.356 20.450 ( -3.989 -1.144 3.526) 5.445 22.062 ( -0.251 2.305 -1.911) 3.005 22.198 ( 0.749 -2.366 -4.416) 5.066 22.296 ( -0.134 0.997 -3.498) 3.640 22.378 ( 1.222 -1.615 -3.707) 4.224 ======================= Grid point 96 (51/126) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.198 1.689 2.226) 2.801 0.678 ( 0.091 -3.419 -0.160) 3.424 0.794 ( -0.905 0.255 2.843) 2.994 0.842 ( 1.541 -0.952 -0.847) 2.000 0.911 ( 0.704 0.748 -1.392) 1.730 0.921 ( 1.789 0.780 -0.921) 2.157 0.999 ( 0.355 1.792 1.294) 2.239 1.032 ( 0.607 1.404 0.357) 1.571 1.093 ( 0.537 -1.040 1.549) 1.942 1.117 ( -2.262 -3.086 0.551) 3.866 1.423 ( 1.007 2.097 -4.659) 5.207 1.489 ( 3.929 -1.581 -4.153) 5.931 1.745 ( 0.837 4.935 7.151) 8.729 2.017 ( -4.145 -6.048 3.946) 8.326 2.216 ( -1.256 1.633 5.910) 6.258 2.340 ( -2.726 -2.325 7.046) 7.905 2.559 ( 3.741 1.570 -2.000) 4.524 2.586 ( -3.168 -1.093 5.295) 6.267 2.787 ( -6.976 0.772 24.236) 25.231 2.797 ( -2.024 0.926 17.660) 17.800 3.755 ( 7.969 1.139 -8.304) 11.566 3.816 ( 6.070 -1.099 -6.795) 9.177 3.961 ( -3.861 1.601 4.367) 6.045 4.036 ( -3.851 -1.133 5.822) 7.072 4.970 ( 4.069 2.326 -8.941) 10.095 5.096 ( 3.264 -2.273 -10.829) 11.536 6.578 ( 4.652 1.253 -4.117) 6.337 6.630 ( 4.528 -0.612 -4.075) 6.122 7.026 ( -0.014 0.851 6.777) 6.830 7.116 ( -0.222 -2.734 4.655) 5.403 7.267 ( 1.018 1.098 -2.699) 3.087 7.301 ( 0.161 -0.303 -2.799) 2.820 7.457 ( -6.644 0.932 11.886) 13.649 7.514 ( -4.368 -1.145 11.825) 12.658 7.857 ( -2.365 0.631 7.803) 8.178 7.875 ( -3.257 -0.028 7.270) 7.967 9.384 ( 1.462 0.969 -2.404) 2.976 9.442 ( 1.060 -1.178 -1.882) 2.460 9.921 ( 1.211 1.054 -2.149) 2.683 9.972 ( 0.940 -0.813 -2.651) 2.928 11.423 ( -0.404 0.681 -0.637) 1.016 11.464 ( -0.412 -0.815 -1.068) 1.405 11.763 ( 1.724 0.617 -5.808) 6.090 11.794 ( 2.015 -0.520 -6.575) 6.897 14.218 ( -0.796 0.167 2.199) 2.345 14.228 ( -0.751 -0.201 2.231) 2.363 14.571 ( 0.965 0.299 -1.688) 1.967 14.587 ( 1.082 -0.279 -1.844) 2.156 18.683 ( -0.827 0.816 2.058) 2.363 18.727 ( -1.326 -0.789 2.453) 2.898 18.931 ( -1.372 0.400 -1.210) 1.873 18.953 ( -1.202 -0.418 -0.914) 1.567 19.769 ( -3.346 0.490 16.317) 16.663 19.802 ( -3.716 -0.717 15.764) 16.212 20.351 ( -2.722 1.202 4.158) 5.113 20.413 ( -3.071 -1.082 3.736) 4.955 22.036 ( -0.365 2.149 -2.663) 3.441 22.165 ( -0.244 -2.832 -4.481) 5.306 22.259 ( 0.176 2.131 -4.909) 5.355 22.358 ( 0.632 -1.713 -5.001) 5.324 ======================= Grid point 97 (52/126) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.386 0.830 2.928) 3.068 0.680 ( -0.541 -3.653 1.088) 3.850 0.811 ( 0.116 -1.376 2.411) 2.779 0.827 ( -1.740 -1.900 -0.818) 2.703 0.937 ( 2.067 2.616 1.906) 3.841 0.949 ( 0.946 3.308 -1.163) 3.632 1.001 ( -0.315 0.734 1.779) 1.950 1.027 ( -1.091 2.278 -0.933) 2.692 1.102 ( -0.731 -1.992 2.789) 3.504 1.108 ( -0.238 -1.785 1.514) 2.352 1.376 ( -2.034 3.496 -4.316) 5.915 1.499 ( 1.364 -1.571 -5.190) 5.592 1.822 ( -0.689 4.094 8.906) 9.826 1.989 ( -1.761 -2.211 3.700) 4.656 2.237 ( -2.941 -0.655 7.065) 7.681 2.344 ( -3.122 -5.385 8.567) 10.590 2.565 ( -3.175 1.360 2.083) 4.033 2.586 ( -1.284 0.400 6.522) 6.659 2.825 ( -8.350 2.204 18.070) 20.028 2.882 ( -4.585 -0.429 14.250) 14.975 3.805 ( 4.675 0.714 -7.744) 9.074 3.851 ( 3.566 -0.951 -6.636) 7.593 3.939 ( -3.055 1.523 5.748) 6.685 4.015 ( -3.501 -1.260 5.747) 6.846 4.956 ( 2.909 1.467 -9.828) 10.354 5.048 ( 2.530 -1.892 -12.876) 13.258 6.627 ( 3.836 1.470 -3.587) 5.453 6.679 ( 3.861 -0.368 -3.433) 5.179 7.063 ( -2.120 0.299 6.390) 6.739 7.124 ( -3.044 -2.379 4.686) 6.073 7.261 ( 0.268 0.792 -1.973) 2.143 7.280 ( -0.030 -0.014 -1.507) 1.507 7.441 ( -5.628 1.647 11.367) 12.791 7.532 ( -4.380 -1.736 11.839) 12.742 7.854 ( -3.573 0.813 5.278) 6.425 7.880 ( -3.138 -0.177 7.296) 7.945 9.398 ( 1.807 0.848 -1.587) 2.550 9.448 ( 1.102 -0.977 -1.537) 2.129 9.920 ( 0.646 0.922 -2.135) 2.413 9.965 ( 0.661 -0.716 -2.420) 2.609 11.421 ( 0.774 0.683 -0.577) 1.182 11.463 ( 1.197 -0.864 -0.903) 1.731 11.748 ( 2.208 0.554 -6.330) 6.727 11.775 ( 2.262 -0.433 -7.306) 7.660 14.220 ( -0.922 0.177 2.188) 2.381 14.232 ( -0.880 -0.239 2.250) 2.428 14.574 ( 0.850 0.317 -1.660) 1.892 14.590 ( 0.936 -0.287 -1.791) 2.041 18.680 ( -1.155 0.702 1.724) 2.191 18.718 ( -1.656 -0.663 2.084) 2.743 18.903 ( -0.690 0.540 -0.701) 1.121 18.934 ( -0.169 -0.612 -0.302) 0.703 19.832 ( -4.655 0.401 15.401) 16.094 19.871 ( -3.079 -1.082 16.010) 16.339 20.353 ( -1.082 1.073 4.701) 4.942 20.404 ( -1.410 -0.826 4.006) 4.326 22.009 ( -0.012 1.692 -2.665) 3.157 22.115 ( -1.041 -2.442 -4.519) 5.241 22.230 ( 1.370 2.105 -5.203) 5.777 22.323 ( 0.620 -1.561 -5.792) 6.030 ======================= Grid point 98 (53/126) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -1.404 0.593 2.795) 3.183 0.684 ( -0.644 -3.068 3.456) 4.666 0.782 ( -2.434 -0.621 0.132) 2.516 0.823 ( -0.966 -1.886 0.885) 2.296 0.931 ( -1.202 3.028 -0.986) 3.404 0.959 ( -2.968 4.012 -2.642) 5.647 0.997 ( 0.387 2.081 5.070) 5.494 1.055 ( 2.235 -0.066 2.636) 3.457 1.105 ( -0.816 -1.489 1.113) 2.030 1.134 ( 1.283 -2.141 1.356) 2.840 1.288 ( -4.840 4.603 -0.049) 6.679 1.454 ( -1.417 -1.658 -5.208) 5.646 1.828 ( -5.554 7.357 6.975) 11.560 2.031 ( 1.718 0.600 5.431) 5.728 2.198 ( -6.717 -1.218 4.241) 8.036 2.361 ( -3.356 -6.917 5.960) 9.727 2.507 ( -5.725 1.832 4.258) 7.367 2.627 ( -1.333 -2.553 8.364) 8.845 2.784 ( -9.968 2.788 15.807) 18.894 2.866 ( -9.191 -1.382 13.701) 16.556 3.798 ( 1.792 0.403 -8.154) 8.358 3.833 ( 0.616 -0.880 -6.833) 6.917 3.943 ( -2.473 1.300 7.447) 7.954 4.008 ( -2.559 -1.050 6.382) 6.956 4.916 ( 1.956 0.916 -10.393) 10.615 4.992 ( 4.111 -1.664 -14.347) 15.017 6.647 ( 0.922 1.811 -2.442) 3.177 6.707 ( 1.697 -0.277 -2.443) 2.987 7.052 ( -4.382 0.028 5.549) 7.071 7.088 ( -4.757 -1.613 4.288) 6.605 7.244 ( -0.402 1.094 -0.974) 1.519 7.282 ( 1.978 -0.529 -2.830) 3.493 7.438 ( -5.117 1.865 11.551) 12.771 7.546 ( -5.105 -2.153 12.242) 13.437 7.822 ( -4.037 1.378 4.152) 5.953 7.876 ( -3.513 -0.678 6.507) 7.426 9.418 ( 1.562 0.703 -1.322) 2.164 9.457 ( 1.128 -0.717 -1.325) 1.882 9.911 ( 0.346 0.887 -2.098) 2.304 9.956 ( 0.368 -0.748 -2.084) 2.244 11.441 ( 1.824 0.769 -0.504) 2.043 11.489 ( 2.281 -0.975 -0.940) 2.653 11.742 ( 3.079 0.388 -6.745) 7.425 11.759 ( 2.905 -0.252 -7.689) 8.223 14.220 ( -1.086 0.176 2.164) 2.427 14.232 ( -1.067 -0.288 2.199) 2.461 14.574 ( 0.708 0.327 -1.706) 1.876 14.591 ( 0.756 -0.285 -1.809) 1.981 18.670 ( -1.461 0.655 1.629) 2.284 18.704 ( -1.630 -0.575 2.082) 2.706 18.898 ( 0.675 0.748 -0.207) 1.028 18.946 ( 1.413 -1.005 0.335) 1.766 19.848 ( -6.706 0.917 13.656) 15.242 19.949 ( -3.016 -3.306 15.839) 16.459 20.386 ( 0.358 1.233 4.747) 4.918 20.427 ( 0.142 -0.477 4.264) 4.293 21.994 ( 0.434 1.050 -1.698) 2.043 22.059 ( -1.046 -1.382 -3.863) 4.234 22.224 ( 2.311 1.309 -4.377) 5.120 22.291 ( 1.227 -1.163 -5.780) 6.022 ======================= Grid point 99 (54/126) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -2.874 4.191 2.607) 5.712 0.697 ( -3.006 0.076 2.995) 4.244 0.751 ( -1.480 0.143 0.635) 1.617 0.797 ( -1.752 -0.879 1.043) 2.220 0.850 ( -3.093 3.450 -3.425) 5.762 0.917 ( -1.959 -1.141 0.107) 2.270 1.015 ( -1.711 0.913 2.039) 2.814 1.074 ( -2.771 1.148 2.498) 3.904 1.111 ( 0.052 -0.471 1.848) 1.908 1.166 ( 0.239 -0.736 3.216) 3.307 1.230 ( -3.184 0.990 2.264) 4.030 1.373 ( -2.274 -2.057 -4.162) 5.169 1.774 ( -4.834 12.295 5.387) 14.268 2.048 ( -10.986 1.994 -0.924) 11.203 2.110 ( 0.246 0.369 7.256) 7.270 2.250 ( -10.452 -5.013 -1.451) 11.683 2.452 ( -6.341 1.420 9.863) 11.811 2.646 ( -8.727 -3.165 18.020) 20.271 2.782 ( -1.203 -1.027 6.941) 7.119 2.813 ( -8.245 -1.357 15.732) 17.813 3.738 ( -0.012 0.262 -10.026) 10.030 3.773 ( -0.482 -1.063 -6.799) 6.898 3.970 ( -1.924 1.234 8.676) 8.972 4.032 ( -1.237 -1.067 7.730) 7.901 4.866 ( 2.641 1.440 -11.008) 11.411 4.970 ( 6.194 -2.195 -13.816) 15.299 6.623 ( -1.540 2.204 -1.611) 3.134 6.698 ( -0.851 -0.508 -1.561) 1.849 6.995 ( -6.202 0.106 4.497) 7.662 7.027 ( -5.312 -0.920 3.797) 6.595 7.240 ( 1.039 1.303 -1.580) 2.296 7.297 ( 2.695 -0.830 -4.363) 5.195 7.445 ( -4.821 1.613 12.141) 13.162 7.545 ( -6.206 -2.099 12.503) 14.116 7.781 ( -3.872 2.039 3.974) 5.911 7.865 ( -3.325 -1.219 6.343) 7.264 9.431 ( 1.131 0.648 -1.567) 2.038 9.463 ( 0.809 -0.535 -1.704) 1.960 9.902 ( 0.541 0.796 -1.801) 2.042 9.945 ( 0.327 -0.754 -1.977) 2.141 11.473 ( 1.914 0.844 -0.626) 2.184 11.525 ( 2.314 -1.048 -1.063) 2.754 11.749 ( 3.834 0.196 -6.890) 7.888 11.756 ( 3.618 -0.049 -7.347) 8.190 14.217 ( -1.197 0.157 2.147) 2.463 14.229 ( -1.271 -0.315 2.092) 2.468 14.572 ( 0.628 0.324 -1.795) 1.930 14.588 ( 0.638 -0.274 -1.895) 2.019 18.656 ( -1.581 0.767 1.867) 2.564 18.695 ( -1.353 -0.643 2.384) 2.816 18.921 ( 1.747 0.907 0.022) 1.969 18.984 ( 2.201 -1.464 0.213) 2.652 19.815 ( -8.483 1.478 12.219) 14.948 20.008 ( -4.483 -7.624 13.257) 15.937 20.436 ( 0.840 1.606 3.691) 4.112 20.474 ( 0.806 -0.165 4.423) 4.499 22.003 ( 1.065 0.407 0.577) 1.278 22.026 ( 0.319 -0.436 -1.034) 1.167 22.238 ( 2.553 0.772 -3.719) 4.577 22.279 ( 2.400 -0.740 -4.675) 5.307 ======================= Grid point 100 (55/126) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -5.021 6.620 0.698) 8.338 0.578 ( -7.615 5.600 5.880) 11.132 0.695 ( -2.977 0.895 -2.634) 4.075 0.816 ( 0.659 -1.738 2.411) 3.044 0.858 ( 3.603 0.554 3.067) 4.764 0.898 ( -0.036 -2.635 0.507) 2.683 0.970 ( -4.633 0.678 0.332) 4.694 1.028 ( -3.357 0.616 1.135) 3.597 1.119 ( -0.484 0.090 1.894) 1.957 1.164 ( -3.652 1.962 3.408) 5.367 1.190 ( -1.237 -2.766 1.614) 3.433 1.340 ( 0.662 -2.131 -0.699) 2.338 1.763 ( -1.363 16.015 1.763) 16.169 1.807 ( -10.919 4.104 0.507) 11.676 2.042 ( -8.497 -3.367 -1.377) 9.243 2.158 ( -2.045 -1.415 7.819) 8.205 2.429 ( -6.215 1.965 11.990) 13.647 2.625 ( -11.518 -1.340 22.303) 25.138 2.791 ( -5.403 -1.713 12.502) 13.727 2.844 ( -0.347 -3.084 4.783) 5.702 3.646 ( 0.183 0.854 -11.263) 11.296 3.715 ( 0.888 -1.801 -7.678) 7.936 4.013 ( -1.731 1.241 9.327) 9.567 4.078 ( -1.258 -1.373 7.598) 7.822 4.842 ( 4.666 2.357 -10.572) 11.794 4.986 ( 7.278 -2.979 -12.473) 14.745 6.575 ( -1.888 2.443 -1.739) 3.544 6.656 ( -2.041 -0.785 -1.440) 2.619 6.916 ( -5.948 0.826 4.549) 7.534 6.966 ( -4.329 -0.991 3.653) 5.751 7.249 ( 1.922 1.322 -3.101) 3.880 7.304 ( 2.574 -0.628 -5.785) 6.363 7.461 ( -4.742 0.917 12.611) 13.505 7.533 ( -6.408 -1.685 13.260) 14.823 7.754 ( -3.103 2.591 5.337) 6.695 7.862 ( -2.941 -1.611 6.760) 7.546 9.433 ( 0.753 0.505 -2.124) 2.309 9.457 ( 0.427 -0.400 -2.234) 2.310 9.902 ( 0.900 0.695 -1.622) 1.981 9.939 ( 0.878 -0.642 -1.942) 2.226 11.494 ( 0.969 0.950 -0.883) 1.619 11.550 ( 1.374 -1.103 -1.207) 2.136 11.763 ( 3.890 0.247 -6.877) 7.905 11.772 ( 4.073 -0.066 -6.344) 7.539 14.213 ( -1.142 0.115 2.179) 2.463 14.221 ( -1.371 -0.223 2.089) 2.509 14.568 ( 0.654 0.304 -1.876) 2.010 14.584 ( 0.647 -0.257 -2.001) 2.119 18.646 ( -1.274 0.929 2.341) 2.822 18.694 ( -1.060 -0.790 2.756) 3.056 18.956 ( 1.917 0.841 -0.163) 2.100 19.017 ( 1.292 -1.498 -0.608) 2.069 19.749 ( -9.149 1.591 11.716) 14.949 19.970 ( -10.386 -9.439 9.616) 17.013 20.465 ( -0.619 1.804 2.502) 3.146 20.516 ( -0.248 -0.136 3.669) 3.680 22.023 ( 1.019 0.772 0.864) 1.543 22.092 ( 4.855 -2.357 3.307) 6.329 22.252 ( 2.608 1.172 -3.745) 4.712 22.303 ( 3.272 -0.836 -2.703) 4.325 ======================= Grid point 101 (56/126) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -3.103 -5.188 1.079) 6.141 0.560 ( -3.103 5.188 1.079) 6.141 0.726 ( 0.345 -4.408 -0.253) 4.429 0.726 ( 0.345 4.408 -0.253) 4.429 0.900 ( -0.804 -1.977 0.814) 2.284 0.900 ( -0.804 1.977 0.814) 2.284 0.979 ( 2.188 -0.806 -0.761) 2.452 0.979 ( 2.188 0.806 -0.761) 2.452 1.156 ( 1.124 -1.681 1.559) 2.554 1.156 ( 1.124 1.681 1.559) 2.554 1.278 ( 0.838 -5.512 2.760) 6.220 1.278 ( 0.838 5.512 2.760) 6.220 1.814 ( -1.738 -6.815 1.282) 7.149 1.814 ( -1.738 6.815 1.282) 7.149 2.057 ( -1.312 -6.789 3.671) 7.829 2.057 ( -1.312 6.789 3.671) 7.829 2.525 ( -7.005 -6.210 14.597) 17.341 2.525 ( -7.005 6.210 14.597) 17.341 2.783 ( -5.961 -2.818 10.050) 12.020 2.783 ( -5.961 2.818 10.050) 12.020 3.629 ( 3.581 -2.650 -10.115) 11.053 3.629 ( 3.581 2.650 -10.115) 11.053 4.075 ( -2.786 -1.012 7.580) 8.139 4.075 ( -2.786 1.012 7.580) 8.139 4.941 ( 6.906 -4.202 -9.934) 12.807 4.941 ( 6.906 4.202 -9.934) 12.807 6.579 ( -1.067 -1.891 -2.381) 3.223 6.579 ( -1.067 1.891 -2.381) 3.223 6.908 ( -2.218 -1.784 4.667) 5.466 6.908 ( -2.218 1.784 4.667) 5.466 7.284 ( 2.687 -1.139 -5.524) 6.248 7.284 ( 2.687 1.139 -5.524) 6.248 7.496 ( -5.665 -1.468 13.107) 14.354 7.496 ( -5.665 1.468 13.107) 14.354 7.817 ( -2.878 -2.789 7.531) 8.531 7.817 ( -2.878 2.789 7.531) 8.531 9.434 ( 0.415 -0.632 -2.618) 2.725 9.434 ( 0.415 0.632 -2.618) 2.725 9.927 ( 1.394 -1.076 -1.917) 2.603 9.927 ( 1.394 1.076 -1.917) 2.603 11.522 ( -0.128 -1.537 -1.167) 1.934 11.522 ( -0.128 1.537 -1.167) 1.934 11.787 ( 3.545 -0.423 -6.001) 6.983 11.787 ( 3.545 0.423 -6.001) 6.983 14.213 ( -1.042 -0.136 2.193) 2.432 14.213 ( -1.042 0.136 2.193) 2.432 14.573 ( 0.774 -0.374 -1.987) 2.165 14.573 ( 0.774 0.374 -1.987) 2.165 18.676 ( -0.782 -1.357 2.882) 3.280 18.676 ( -0.782 1.357 2.882) 3.280 19.000 ( 0.726 -0.950 -0.707) 1.389 19.000 ( 0.726 0.950 -0.707) 1.389 19.735 ( -9.479 -3.276 13.179) 16.561 19.735 ( -9.479 3.276 13.179) 16.561 20.497 ( -2.399 -1.683 2.737) 4.010 20.497 ( -2.399 1.683 2.737) 4.010 22.106 ( 2.339 -3.338 0.788) 4.151 22.106 ( 2.339 3.338 0.788) 4.151 22.312 ( 2.805 -1.611 -2.317) 3.979 22.312 ( 2.805 1.611 -2.317) 3.979 ======================= Grid point 103 (57/126) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.892 -2.964 2.969) 4.289 0.567 ( 0.892 2.964 2.969) 4.289 0.736 ( 1.647 -1.904 -1.371) 2.866 0.736 ( 1.647 1.904 -1.371) 2.866 0.905 ( 0.832 -2.636 0.463) 2.803 0.905 ( 0.832 2.636 0.463) 2.803 1.011 ( 1.706 -0.451 -0.545) 1.847 1.011 ( 1.706 0.451 -0.545) 1.847 1.147 ( -1.738 -3.695 -2.558) 4.818 1.147 ( -1.738 3.695 -2.558) 4.818 1.341 ( 3.700 -3.673 1.447) 5.410 1.341 ( 3.700 3.673 1.447) 5.410 1.851 ( 1.372 -9.925 3.605) 10.648 1.851 ( 1.372 9.925 3.605) 10.648 2.106 ( 5.755 -2.920 0.340) 6.462 2.106 ( 5.755 2.920 0.340) 6.462 2.514 ( -6.398 -6.107 12.943) 15.676 2.514 ( -6.398 6.107 12.943) 15.676 2.747 ( -8.554 -3.892 14.559) 17.329 2.747 ( -8.554 3.892 14.559) 17.329 3.643 ( 6.793 -2.819 -9.580) 12.078 3.643 ( 6.793 2.819 -9.580) 12.078 4.068 ( -3.962 -0.481 6.052) 7.249 4.068 ( -3.962 0.481 6.052) 7.249 4.991 ( 6.659 -4.226 -8.734) 11.768 4.991 ( 6.659 4.226 -8.734) 11.768 6.554 ( 1.085 -1.722 -3.292) 3.871 6.554 ( 1.085 1.722 -3.292) 3.871 6.936 ( 0.541 -2.261 5.166) 5.665 6.936 ( 0.541 2.261 5.166) 5.665 7.291 ( 2.908 -1.087 -5.412) 6.239 7.291 ( 2.908 1.087 -5.412) 6.239 7.496 ( -6.207 -0.914 13.129) 14.551 7.496 ( -6.207 0.914 13.129) 14.551 7.831 ( -2.777 -2.281 8.382) 9.120 7.831 ( -2.777 2.281 8.382) 9.120 9.421 ( 0.566 -1.012 -2.767) 3.000 9.421 ( 0.566 1.012 -2.767) 3.000 9.937 ( 1.536 -1.403 -2.231) 3.050 9.937 ( 1.536 1.403 -2.231) 3.050 11.500 ( -1.128 -1.491 -1.122) 2.180 11.500 ( -1.128 1.491 -1.122) 2.180 11.796 ( 2.740 -0.614 -5.664) 6.321 11.796 ( 2.740 0.614 -5.664) 6.321 14.214 ( -0.841 -0.193 2.192) 2.356 14.214 ( -0.841 0.193 2.192) 2.356 14.572 ( 0.939 -0.366 -1.949) 2.194 14.572 ( 0.939 0.366 -1.949) 2.194 18.688 ( -0.564 -1.340 2.947) 3.286 18.688 ( -0.564 1.340 2.947) 3.286 18.997 ( -0.178 -0.488 -1.132) 1.245 18.997 ( -0.178 0.488 -1.132) 1.245 19.700 ( -6.823 -1.868 14.627) 16.248 19.700 ( -6.823 1.868 14.627) 16.248 20.462 ( -3.764 -1.815 3.029) 5.161 20.462 ( -3.764 1.815 3.029) 5.161 22.136 ( 1.070 -3.719 -1.278) 4.075 22.136 ( 1.070 3.719 -1.278) 4.075 22.336 ( 1.864 -1.812 -2.640) 3.705 22.336 ( 1.864 1.812 -2.640) 3.705 ======================= Grid point 105 (58/126) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.304 -3.215 1.556) 3.584 0.600 ( 0.304 3.215 1.556) 3.584 0.775 ( 2.640 -0.674 0.952) 2.886 0.775 ( 2.640 0.674 0.952) 2.886 0.920 ( 0.467 -1.014 -0.801) 1.374 0.920 ( 0.467 1.014 -0.801) 1.374 1.036 ( 1.020 -0.978 0.351) 1.456 1.036 ( 1.020 0.978 0.351) 1.456 1.085 ( -1.789 -5.006 -2.028) 5.690 1.085 ( -1.789 5.006 -2.028) 5.690 1.415 ( 4.246 -1.314 -1.869) 4.821 1.415 ( 4.246 1.314 -1.869) 4.821 1.874 ( -1.866 -9.454 3.862) 10.382 1.874 ( -1.866 9.454 3.862) 10.382 2.236 ( 5.388 -3.016 0.289) 6.181 2.236 ( 5.388 3.016 0.289) 6.181 2.525 ( -0.621 -4.131 6.697) 7.893 2.525 ( -0.621 4.131 6.697) 7.893 2.735 ( -8.584 -3.106 22.014) 23.832 2.735 ( -8.584 3.106 22.014) 23.832 3.710 ( 8.213 -2.279 -8.524) 12.054 3.710 ( 8.213 2.279 -8.524) 12.054 4.037 ( -4.282 -1.363 5.080) 6.782 4.037 ( -4.282 1.363 5.080) 6.782 5.030 ( 5.278 -3.882 -8.818) 10.985 5.030 ( 5.278 3.882 -8.818) 10.985 6.566 ( 3.418 -1.481 -3.980) 5.451 6.566 ( 3.418 1.481 -3.980) 5.451 7.000 ( 1.240 -2.523 5.569) 6.238 7.000 ( 1.240 2.523 5.569) 6.238 7.296 ( 1.932 -1.064 -4.352) 4.879 7.296 ( 1.932 1.064 -4.352) 4.879 7.489 ( -6.117 -0.333 12.585) 13.997 7.489 ( -6.117 0.333 12.585) 13.997 7.852 ( -2.608 -1.349 8.405) 8.903 7.852 ( -2.608 1.349 8.405) 8.903 9.411 ( 0.899 -1.400 -2.597) 3.084 9.411 ( 0.899 1.400 -2.597) 3.084 9.945 ( 1.401 -1.495 -2.427) 3.176 9.945 ( 1.401 1.495 -2.427) 3.176 11.467 ( -1.270 -1.264 -1.007) 2.055 11.467 ( -1.270 1.264 -1.007) 2.055 11.793 ( 2.065 -0.759 -5.717) 6.126 11.793 ( 2.065 0.759 -5.717) 6.126 14.218 ( -0.748 -0.234 2.197) 2.332 14.218 ( -0.748 0.234 2.197) 2.332 14.575 ( 1.045 -0.384 -1.859) 2.167 14.575 ( 1.045 0.384 -1.859) 2.167 18.701 ( -0.703 -1.256 2.686) 3.048 18.701 ( -0.703 1.256 2.686) 3.048 18.975 ( -1.056 -0.475 -1.285) 1.730 18.975 ( -1.056 0.475 -1.285) 1.730 19.724 ( -4.474 -1.215 15.678) 16.349 19.724 ( -4.474 1.215 15.678) 16.349 20.417 ( -3.935 -1.796 3.435) 5.523 20.417 ( -3.935 1.796 3.435) 5.523 22.128 ( -0.003 -3.581 -2.703) 4.486 22.128 ( -0.003 3.581 -2.703) 4.486 22.334 ( 0.937 -2.220 -3.821) 4.517 22.334 ( 0.937 2.220 -3.821) 4.517 ======================= Grid point 107 (59/126) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.154 -2.686 1.006) 2.873 0.611 ( -0.154 2.686 1.006) 2.873 0.813 ( -0.200 -1.394 0.594) 1.529 0.813 ( -0.200 1.394 0.594) 1.529 0.925 ( 1.944 -0.540 -0.396) 2.056 0.925 ( 1.944 0.540 -0.396) 2.056 1.050 ( -0.365 -2.383 1.008) 2.613 1.050 ( -0.365 2.383 1.008) 2.613 1.065 ( -0.137 -1.035 0.833) 1.335 1.065 ( -0.137 1.035 0.833) 1.335 1.458 ( 3.073 -1.268 -4.496) 5.592 1.458 ( 3.073 1.268 -4.496) 5.592 1.875 ( -1.455 -6.725 5.373) 8.731 1.875 ( -1.455 6.725 5.373) 8.731 2.272 ( -2.769 -3.456 4.921) 6.620 2.272 ( -2.769 3.456 4.921) 6.620 2.575 ( 0.318 -0.275 3.261) 3.288 2.575 ( 0.318 0.275 3.261) 3.288 2.804 ( -4.380 -0.497 20.993) 21.451 2.804 ( -4.380 0.497 20.993) 21.451 3.786 ( 6.966 -1.595 -7.668) 10.481 3.786 ( 6.966 1.595 -7.668) 10.481 4.002 ( -3.930 -1.937 4.983) 6.636 4.002 ( -3.930 1.937 4.983) 6.636 5.033 ( 3.563 -3.238 -9.996) 11.095 5.033 ( 3.563 3.238 -9.996) 11.095 6.609 ( 4.722 -1.370 -4.101) 6.402 6.609 ( 4.722 1.370 -4.101) 6.402 7.059 ( -0.307 -2.229 5.824) 6.244 7.059 ( -0.307 2.229 5.824) 6.244 7.289 ( 0.518 -0.807 -2.658) 2.826 7.289 ( 0.518 0.807 -2.658) 2.826 7.484 ( -5.332 -1.461 11.741) 12.978 7.484 ( -5.332 1.461 11.741) 12.978 7.870 ( -2.788 -0.498 7.518) 8.034 7.870 ( -2.788 0.498 7.518) 8.034 9.412 ( 1.271 -1.513 -2.098) 2.882 9.412 ( 1.271 1.513 -2.098) 2.882 9.948 ( 1.078 -1.305 -2.436) 2.966 9.948 ( 1.078 1.305 -2.436) 2.966 11.443 ( -0.416 -1.053 -0.880) 1.434 11.443 ( -0.416 1.053 -0.880) 1.434 11.779 ( 1.864 -0.802 -6.164) 6.489 11.779 ( 1.864 0.802 -6.164) 6.489 14.223 ( -0.779 -0.259 2.214) 2.361 14.223 ( -0.779 0.259 2.214) 2.361 14.579 ( 1.027 -0.409 -1.767) 2.084 14.579 ( 1.027 0.409 -1.767) 2.084 18.705 ( -1.074 -1.130 2.247) 2.735 18.705 ( -1.074 1.130 2.247) 2.735 18.942 ( -1.298 -0.574 -1.052) 1.766 18.942 ( -1.298 0.574 -1.052) 1.766 19.784 ( -3.570 -0.852 16.007) 16.422 19.784 ( -3.570 0.852 16.007) 16.422 20.383 ( -2.891 -1.615 3.924) 5.135 20.383 ( -2.891 1.615 3.924) 5.135 22.097 ( -0.472 -3.301 -3.451) 4.798 22.097 ( -0.472 3.301 -3.451) 4.798 22.311 ( 0.604 -2.513 -4.993) 5.623 22.311 ( 0.604 2.513 -4.993) 5.623 ======================= Grid point 109 (60/126) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -1.100 -2.376 2.263) 3.461 0.611 ( -1.100 2.376 2.263) 3.461 0.801 ( -0.871 -0.418 0.519) 1.097 0.801 ( -0.871 0.418 0.519) 1.097 0.980 ( 2.800 -0.945 1.314) 3.234 0.980 ( 2.800 0.945 1.314) 3.234 1.039 ( -1.581 -2.935 1.332) 3.590 1.039 ( -1.581 2.935 1.332) 3.590 1.075 ( 0.240 -1.561 0.170) 1.588 1.075 ( 0.240 1.561 0.170) 1.588 1.449 ( 0.004 -2.993 -4.363) 5.291 1.449 ( 0.004 2.993 -4.363) 5.291 1.920 ( 0.525 -4.245 7.147) 8.329 1.920 ( 0.525 4.245 7.147) 8.329 2.250 ( -4.596 -2.532 6.940) 8.700 2.250 ( -4.596 2.532 6.940) 8.700 2.586 ( -2.555 -0.705 4.721) 5.414 2.586 ( -2.555 0.705 4.721) 5.414 2.865 ( -6.529 -1.320 16.002) 17.333 2.865 ( -6.529 1.320 16.002) 17.333 3.827 ( 4.033 -1.182 -7.201) 8.338 3.827 ( 4.033 1.182 -7.201) 8.338 3.979 ( -3.234 -1.981 5.587) 6.752 3.979 ( -3.234 1.981 5.587) 6.752 4.999 ( 2.611 -2.393 -11.488) 12.021 4.999 ( 2.611 2.393 -11.488) 12.021 6.661 ( 4.059 -1.366 -3.544) 5.559 6.661 ( 4.059 1.366 -3.544) 5.559 7.080 ( -2.632 -1.456 5.704) 6.448 7.080 ( -2.632 1.456 5.704) 6.448 7.275 ( 0.050 -0.457 -1.603) 1.667 7.275 ( 0.050 0.457 -1.603) 1.667 7.486 ( -4.995 -2.334 11.497) 12.751 7.486 ( -4.995 2.334 11.497) 12.751 7.871 ( -3.327 -0.695 6.254) 7.118 7.871 ( -3.327 0.695 6.254) 7.118 9.422 ( 1.470 -1.281 -1.523) 2.474 9.422 ( 1.470 1.281 -1.523) 2.474 9.944 ( 0.655 -1.146 -2.314) 2.664 9.944 ( 0.655 1.146 -2.314) 2.664 11.441 ( 0.990 -1.089 -0.781) 1.666 11.441 ( 0.990 1.089 -0.781) 1.666 11.762 ( 2.224 -0.697 -6.776) 7.165 11.762 ( 2.224 0.697 -6.776) 7.165 14.226 ( -0.915 -0.291 2.217) 2.416 14.226 ( -0.915 0.291 2.217) 2.416 14.582 ( 0.898 -0.427 -1.726) 1.992 14.582 ( 0.898 0.427 -1.726) 1.992 18.699 ( -1.395 -0.966 1.903) 2.549 18.699 ( -1.395 0.966 1.903) 2.549 18.918 ( -0.463 -0.806 -0.514) 1.062 18.918 ( -0.463 0.806 -0.514) 1.062 19.847 ( -4.126 -0.985 15.572) 16.139 19.847 ( -4.126 0.985 15.572) 16.139 20.380 ( -1.158 -1.311 4.389) 4.725 20.380 ( -1.158 1.311 4.389) 4.725 22.058 ( -0.492 -2.679 -3.526) 4.455 22.058 ( -0.492 2.679 -3.526) 4.455 22.280 ( 0.922 -2.351 -5.496) 6.048 22.280 ( 0.922 2.351 -5.496) 6.048 ======================= Grid point 111 (61/126) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.421 -2.358 4.162) 4.802 0.622 ( -0.421 2.358 4.162) 4.802 0.787 ( -1.136 -1.060 0.381) 1.600 0.787 ( -1.136 1.060 0.381) 1.600 0.996 ( -3.156 -1.526 -0.329) 3.521 0.996 ( -3.156 1.526 -0.329) 3.521 1.044 ( 1.154 -2.069 1.573) 2.843 1.044 ( 1.154 2.069 1.573) 2.843 1.084 ( 1.497 -1.400 0.271) 2.068 1.084 ( 1.497 1.400 0.271) 2.068 1.390 ( -3.232 -4.285 -2.443) 5.897 1.390 ( -3.232 4.285 -2.443) 5.897 1.990 ( -0.265 -5.780 7.580) 9.536 1.990 ( -0.265 5.780 7.580) 9.536 2.219 ( -5.032 -4.625 5.920) 9.041 2.219 ( -5.032 4.625 5.920) 9.041 2.564 ( -3.974 -3.233 4.912) 7.098 2.564 ( -3.974 3.233 4.912) 7.098 2.832 ( -10.234 -1.781 15.049) 18.286 2.832 ( -10.234 1.781 15.049) 18.286 3.812 ( 1.122 -0.900 -7.529) 7.665 3.812 ( 1.122 0.900 -7.529) 7.665 3.978 ( -2.454 -1.680 6.790) 7.413 3.978 ( -2.454 1.680 6.790) 7.413 4.949 ( 3.034 -2.009 -12.466) 12.986 4.949 ( 3.034 2.009 -12.466) 12.986 6.688 ( 1.412 -1.576 -2.492) 3.269 6.688 ( 1.412 1.576 -2.492) 3.269 7.060 ( -4.363 -0.814 5.115) 6.772 7.060 ( -4.363 0.814 5.115) 6.772 7.267 ( 0.658 -0.928 -1.813) 2.141 7.267 ( 0.658 0.928 -1.813) 2.141 7.490 ( -5.174 -2.778 11.854) 13.229 7.490 ( -5.174 2.778 11.854) 13.229 7.853 ( -3.726 -1.372 5.276) 6.603 7.853 ( -3.726 1.372 5.276) 6.603 9.438 ( 1.378 -0.998 -1.284) 2.131 9.438 ( 1.378 0.998 -1.284) 2.131 9.934 ( 0.340 -1.156 -2.131) 2.448 9.934 ( 0.340 1.156 -2.131) 2.448 11.464 ( 2.070 -1.229 -0.770) 2.527 11.464 ( 2.070 1.229 -0.770) 2.527 11.752 ( 2.971 -0.455 -7.165) 7.770 11.752 ( 2.971 0.455 -7.165) 7.770 14.225 ( -1.100 -0.315 2.190) 2.471 14.225 ( -1.100 0.315 2.190) 2.471 14.583 ( 0.736 -0.435 -1.759) 1.956 14.583 ( 0.736 0.435 -1.759) 1.956 18.688 ( -1.530 -0.880 1.861) 2.565 18.688 ( -1.530 0.880 1.861) 2.565 18.920 ( 0.958 -1.214 0.039) 1.547 18.920 ( 0.958 1.214 0.039) 1.547 19.883 ( -5.687 -2.439 14.532) 15.795 19.883 ( -5.687 2.439 14.532) 15.795 20.411 ( 0.442 -0.986 4.543) 4.670 20.411 ( 0.442 0.986 4.543) 4.670 22.025 ( -0.243 -1.670 -2.590) 3.091 22.025 ( -0.243 1.670 -2.590) 3.091 22.259 ( 1.692 -1.709 -5.125) 5.661 22.259 ( 1.692 1.709 -5.125) 5.661 ======================= Grid point 113 (62/126) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.940 -3.617 3.791) 5.323 0.663 ( 0.940 3.617 3.791) 5.323 0.763 ( -2.036 -1.220 0.075) 2.374 0.763 ( -2.036 1.220 0.075) 2.374 0.905 ( -4.000 -1.270 -3.120) 5.229 0.905 ( -4.000 1.270 -3.120) 5.229 1.050 ( -1.183 -2.206 0.994) 2.693 1.050 ( -1.183 2.206 0.994) 2.693 1.132 ( 0.636 -1.762 2.987) 3.525 1.132 ( 0.636 1.762 2.987) 3.525 1.298 ( -4.730 -4.429 -0.601) 6.508 1.298 ( -4.730 4.429 -0.601) 6.508 2.016 ( -4.138 -8.189 6.830) 11.438 2.016 ( -4.138 8.189 6.830) 11.438 2.137 ( -7.255 -4.135 1.878) 8.559 2.137 ( -7.255 4.135 1.878) 8.559 2.535 ( -4.540 -5.919 7.936) 10.892 2.535 ( -4.540 5.919 7.936) 10.892 2.784 ( -7.732 -1.043 14.967) 16.878 2.784 ( -7.732 1.043 14.967) 16.878 3.750 ( -0.304 -0.867 -8.539) 8.588 3.750 ( -0.304 0.867 -8.539) 8.588 4.002 ( -1.624 -1.597 8.120) 8.433 4.002 ( -1.624 1.597 8.120) 8.433 4.913 ( 4.501 -2.755 -12.480) 13.550 4.913 ( 4.501 2.755 -12.480) 13.550 6.671 ( -1.194 -1.963 -1.658) 2.833 6.671 ( -1.194 1.963 -1.658) 2.833 7.006 ( -5.604 -0.866 4.382) 7.166 7.006 ( -5.604 0.866 4.382) 7.166 7.272 ( 1.926 -1.492 -2.961) 3.834 7.272 ( 1.926 1.492 -2.961) 3.834 7.492 ( -5.538 -2.565 12.246) 13.683 7.492 ( -5.538 2.565 12.246) 13.683 7.828 ( -3.567 -2.120 5.172) 6.631 7.828 ( -3.567 2.120 5.172) 6.631 9.448 ( 0.996 -0.828 -1.617) 2.072 9.448 ( 0.996 0.828 -1.617) 2.072 9.924 ( 0.413 -1.098 -1.900) 2.233 9.924 ( 0.413 1.098 -1.900) 2.233 11.497 ( 2.143 -1.332 -0.887) 2.674 11.497 ( 2.143 1.332 -0.887) 2.674 11.754 ( 3.707 -0.188 -7.062) 7.978 11.754 ( 3.707 0.188 -7.062) 7.978 14.222 ( -1.251 -0.298 2.155) 2.509 14.222 ( -1.251 0.298 2.155) 2.509 14.581 ( 0.636 -0.428 -1.851) 2.003 14.581 ( 0.636 0.428 -1.851) 2.003 18.676 ( -1.457 -1.016 2.129) 2.773 18.676 ( -1.457 1.016 2.129) 2.773 18.949 ( 1.847 -1.602 0.175) 2.452 18.949 ( 1.847 1.602 0.175) 2.452 19.874 ( -7.914 -4.376 13.189) 15.991 19.874 ( -7.914 4.376 13.189) 15.991 20.463 ( 0.945 -0.897 3.982) 4.189 20.463 ( 0.945 0.897 3.982) 4.189 22.014 ( 0.668 -0.598 -0.282) 0.940 22.014 ( 0.668 0.598 -0.282) 0.940 22.259 ( 2.499 -1.069 -4.179) 4.985 22.259 ( 2.499 1.069 -4.179) 4.985 ======================= Grid point 115 (63/126) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.824 -3.175 -2.004) 6.113 0.655 ( -4.824 3.175 -2.004) 6.113 0.725 ( -1.001 -5.559 2.015) 5.997 0.725 ( -1.001 5.559 2.015) 5.997 0.872 ( 1.607 -0.560 1.470) 2.249 0.872 ( 1.607 0.560 1.470) 2.249 1.006 ( -3.711 -2.198 -0.894) 4.405 1.006 ( -3.711 2.198 -0.894) 4.405 1.133 ( -1.393 -1.495 2.514) 3.239 1.133 ( -1.393 1.495 2.514) 3.239 1.256 ( -0.908 -5.012 2.738) 5.783 1.256 ( -0.908 5.012 2.738) 5.783 1.911 ( -8.659 -4.526 0.818) 9.805 1.911 ( -8.659 4.526 0.818) 9.805 2.066 ( -3.428 -7.283 4.779) 9.361 2.066 ( -3.428 7.283 4.779) 9.361 2.528 ( -5.765 -6.540 12.565) 15.293 2.528 ( -5.765 6.540 12.565) 15.293 2.789 ( -4.539 -1.703 11.458) 12.442 2.789 ( -4.539 1.703 11.458) 12.442 3.674 ( 0.659 -1.733 -9.613) 9.790 3.674 ( 0.659 1.733 -9.613) 9.790 4.045 ( -1.568 -1.619 8.587) 8.878 4.045 ( -1.568 1.619 8.587) 8.878 4.910 ( 6.045 -3.691 -11.532) 13.533 4.910 ( 6.045 3.691 -11.532) 13.533 6.625 ( -1.988 -2.030 -1.677) 3.300 6.625 ( -1.988 2.030 -1.677) 3.300 6.940 ( -5.013 -1.320 4.211) 6.679 6.940 ( -5.013 1.320 4.211) 6.679 7.281 ( 2.363 -1.435 -4.548) 5.322 7.281 ( 2.363 1.435 -4.548) 5.322 7.492 ( -5.606 -1.870 12.654) 13.966 7.492 ( -5.606 1.870 12.654) 13.966 7.814 ( -3.061 -2.712 6.215) 7.440 7.814 ( -3.061 2.712 6.215) 7.440 9.446 ( 0.557 -0.611 -2.214) 2.364 9.446 ( 0.557 0.611 -2.214) 2.364 9.921 ( 0.911 -0.950 -1.752) 2.191 9.921 ( 0.911 0.950 -1.752) 2.191 11.521 ( 1.211 -1.440 -1.073) 2.166 11.521 ( 1.211 1.440 -1.073) 2.166 11.769 ( 3.970 -0.225 -6.561) 7.672 11.769 ( 3.970 0.225 -6.561) 7.672 14.216 ( -1.239 -0.205 2.166) 2.504 14.216 ( -1.239 0.205 2.166) 2.504 14.576 ( 0.650 -0.404 -1.947) 2.093 14.576 ( 0.650 0.404 -1.947) 2.093 18.671 ( -1.169 -1.240 2.545) 3.063 18.671 ( -1.169 1.240 2.545) 3.063 18.982 ( 1.575 -1.535 -0.198) 2.208 18.982 ( 1.575 1.535 -0.198) 2.208 19.813 ( -9.956 -4.831 12.403) 16.623 19.813 ( -9.956 4.831 12.403) 16.623 20.499 ( -0.354 -1.336 2.996) 3.299 20.499 ( -0.354 1.336 2.996) 3.299 22.049 ( 2.245 -1.605 1.724) 3.255 22.049 ( 2.245 1.605 1.724) 3.255 22.279 ( 2.974 -1.279 -3.080) 4.469 22.279 ( 2.974 1.279 -3.080) 4.469 ======================= Grid point 125 (64/126) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -1.199 0.000 2.520) 2.790 0.586 ( -1.463 0.000 5.843) 6.023 0.750 ( 2.173 0.000 5.383) 5.805 0.809 ( -3.197 0.000 -3.074) 4.435 0.913 ( -1.488 0.000 3.483) 3.787 0.915 ( -1.458 0.000 -2.153) 2.600 0.936 ( 1.475 0.000 -1.898) 2.404 0.948 ( -0.439 0.000 -2.341) 2.382 1.065 ( -3.365 0.000 0.954) 3.498 1.217 ( -0.720 0.000 -0.160) 0.738 1.242 ( 5.632 0.000 0.342) 5.642 1.343 ( 3.035 0.000 -3.379) 4.542 1.645 ( -3.109 0.000 7.915) 8.503 1.831 ( 2.978 0.000 2.023) 3.600 1.942 ( 0.951 0.000 -0.576) 1.112 2.282 ( 0.031 0.000 -0.321) 0.322 2.624 ( -8.015 0.000 11.183) 13.759 2.879 ( -3.362 0.000 2.769) 4.355 2.900 ( -4.825 0.000 9.144) 10.339 3.012 ( 0.588 0.000 0.420) 0.722 3.366 ( 1.653 0.000 -5.482) 5.726 3.596 ( 1.624 0.000 -3.492) 3.851 4.217 ( -2.400 0.000 1.159) 2.665 4.236 ( -2.354 0.000 2.717) 3.595 4.787 ( -2.763 0.000 11.804) 12.123 4.962 ( 1.098 0.000 5.358) 5.470 6.385 ( 3.037 0.000 -10.821) 11.239 6.486 ( 2.384 0.000 -12.147) 12.379 6.979 ( -2.429 0.000 6.183) 6.643 7.039 ( -0.444 0.000 4.278) 4.301 7.198 ( 0.602 0.000 -1.293) 1.426 7.216 ( 0.478 0.000 -2.092) 2.146 7.745 ( -5.663 0.000 14.523) 15.588 7.827 ( -7.209 0.000 13.877) 15.638 7.875 ( -0.692 0.000 8.288) 8.317 8.019 ( -2.342 0.000 6.614) 7.016 9.365 ( -0.676 0.000 -1.953) 2.066 9.421 ( 0.173 0.000 -0.873) 0.890 9.821 ( 2.134 0.000 -5.808) 6.188 9.887 ( 3.181 0.000 -5.489) 6.345 11.468 ( -0.438 0.000 -0.302) 0.532 11.539 ( -0.136 0.000 -1.279) 1.286 11.654 ( 3.798 0.000 -5.661) 6.817 11.680 ( 4.103 0.000 -6.001) 7.269 14.261 ( -1.491 0.000 3.090) 3.431 14.268 ( -1.391 0.000 3.056) 3.358 14.519 ( 1.171 0.000 -2.658) 2.904 14.534 ( 1.207 0.000 -2.958) 3.194 18.704 ( -1.252 0.000 4.118) 4.304 18.777 ( -0.889 0.000 3.676) 3.782 18.956 ( 1.065 0.000 -1.515) 1.851 19.001 ( 0.306 0.000 -1.763) 1.789 19.939 ( -6.785 0.000 14.720) 16.209 20.093 ( -9.398 0.000 11.046) 14.503 20.490 ( -2.121 0.000 2.251) 3.093 20.593 ( -2.004 0.000 2.621) 3.299 22.033 ( 0.506 0.000 -0.930) 1.059 22.126 ( 2.370 0.000 -5.935) 6.390 22.268 ( 2.969 0.000 -1.190) 3.198 22.312 ( 2.997 0.000 -2.663) 4.009 ======================= Grid point 126 (65/126) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.858 0.000 2.927) 3.050 0.668 ( 5.570 0.000 0.514) 5.593 0.739 ( -1.646 0.000 -2.107) 2.674 0.826 ( 1.901 0.000 2.097) 2.830 0.884 ( 0.041 0.000 -1.549) 1.550 0.885 ( -2.361 0.000 1.282) 2.687 0.947 ( 1.864 0.000 -2.064) 2.781 0.956 ( 1.480 0.000 -1.027) 1.802 1.067 ( 0.635 0.000 4.735) 4.777 1.198 ( -1.011 0.000 -0.531) 1.142 1.330 ( 3.960 0.000 -2.367) 4.613 1.358 ( 2.673 0.000 -4.821) 5.512 1.674 ( -0.797 0.000 7.820) 7.861 1.929 ( 8.445 0.000 -3.910) 9.306 2.069 ( 11.007 0.000 1.028) 11.055 2.269 ( -1.434 0.000 0.373) 1.482 2.581 ( -6.255 0.000 10.348) 12.092 2.819 ( -5.039 0.000 2.130) 5.470 2.904 ( -2.415 0.000 7.984) 8.341 3.027 ( -0.987 0.000 4.720) 4.822 3.400 ( 5.781 0.000 -3.596) 6.808 3.619 ( 3.505 0.000 -2.387) 4.241 4.177 ( -3.715 0.000 3.607) 5.178 4.207 ( -2.556 0.000 1.645) 3.040 4.837 ( -1.669 0.000 9.368) 9.515 5.018 ( 0.089 0.000 4.795) 4.796 6.366 ( 4.749 0.000 -10.807) 11.805 6.444 ( 4.310 0.000 -12.276) 13.011 7.012 ( 0.081 0.000 6.513) 6.513 7.094 ( 2.116 0.000 4.426) 4.905 7.202 ( 0.700 0.000 -0.689) 0.982 7.224 ( 2.500 0.000 -2.936) 3.856 7.755 ( -6.075 0.000 13.810) 15.087 7.792 ( -8.515 0.000 13.015) 15.553 7.934 ( -0.955 0.000 8.914) 8.965 8.027 ( -3.013 0.000 6.999) 7.620 9.340 ( -0.285 0.000 -1.754) 1.777 9.420 ( 0.464 0.000 -0.786) 0.913 9.819 ( 2.862 0.000 -5.651) 6.334 9.898 ( 3.091 0.000 -5.974) 6.726 11.451 ( -1.182 0.000 -0.155) 1.192 11.514 ( -1.283 0.000 -1.339) 1.854 11.668 ( 2.664 0.000 -5.487) 6.099 11.695 ( 2.986 0.000 -6.184) 6.867 14.260 ( -1.333 0.000 3.087) 3.363 14.270 ( -1.153 0.000 3.055) 3.266 14.520 ( 1.302 0.000 -2.569) 2.881 14.535 ( 1.465 0.000 -2.880) 3.231 18.716 ( -1.182 0.000 3.872) 4.048 18.790 ( -1.083 0.000 3.558) 3.719 18.952 ( 0.082 0.000 -1.883) 1.885 18.989 ( -0.278 0.000 -1.432) 1.458 19.959 ( -5.170 0.000 16.515) 17.305 20.050 ( -7.019 0.000 14.694) 16.285 20.461 ( -2.901 0.000 2.156) 3.614 20.565 ( -3.101 0.000 2.086) 3.738 22.023 ( -0.305 0.000 -1.918) 1.942 22.119 ( 2.087 0.000 -5.801) 6.164 22.274 ( -0.254 0.000 -2.846) 2.857 22.329 ( 1.635 0.000 -3.617) 3.970 ======================= Grid point 127 (66/126) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.467 0.000 3.062) 3.097 0.706 ( 0.105 0.000 -0.956) 0.962 0.764 ( 4.468 0.000 -1.641) 4.760 0.844 ( -0.362 0.000 1.789) 1.825 0.881 ( 0.768 0.000 -1.332) 1.537 0.882 ( 0.139 0.000 1.217) 1.225 0.979 ( 2.100 0.000 0.569) 2.176 0.980 ( 1.527 0.000 -0.707) 1.683 1.114 ( 0.527 0.000 2.407) 2.464 1.186 ( -0.262 0.000 1.052) 1.085 1.321 ( 1.356 0.000 -6.862) 6.995 1.393 ( 3.342 0.000 -3.983) 5.200 1.747 ( 1.439 0.000 8.437) 8.559 2.071 ( 9.644 0.000 -3.276) 10.186 2.231 ( -4.062 0.000 2.202) 4.620 2.285 ( 11.648 0.000 -2.447) 11.902 2.570 ( -4.635 0.000 11.413) 12.318 2.750 ( -4.673 0.000 3.892) 6.081 2.936 ( 0.486 0.000 3.306) 3.341 3.065 ( -1.654 0.000 10.485) 10.615 3.497 ( 7.693 0.000 -4.199) 8.765 3.678 ( 4.659 0.000 -2.248) 5.173 4.148 ( -4.087 0.000 7.089) 8.182 4.177 ( -1.722 0.000 0.750) 1.878 4.870 ( -2.233 0.000 6.838) 7.194 5.037 ( -2.209 0.000 4.306) 4.840 6.380 ( 6.493 0.000 -10.864) 12.656 6.446 ( 6.782 0.000 -11.933) 13.725 7.079 ( 1.093 0.000 6.454) 6.546 7.173 ( 2.264 0.000 3.986) 4.584 7.212 ( 0.919 0.000 -0.500) 1.046 7.250 ( 2.444 0.000 -2.129) 3.241 7.729 ( -8.302 0.000 11.391) 14.095 7.765 ( -6.086 0.000 13.888) 15.163 7.976 ( -2.237 0.000 7.406) 7.736 8.027 ( -3.448 0.000 7.778) 8.508 9.331 ( 0.577 0.000 -0.688) 0.898 9.425 ( 0.580 0.000 -0.530) 0.786 9.831 ( 3.199 0.000 -5.195) 6.101 9.901 ( 2.776 0.000 -6.143) 6.741 11.426 ( -1.225 0.000 -0.254) 1.251 11.476 ( -1.355 0.000 -1.350) 1.913 11.660 ( 1.694 0.000 -5.806) 6.048 11.686 ( 1.968 0.000 -6.855) 7.132 14.263 ( -1.199 0.000 3.064) 3.291 14.276 ( -1.061 0.000 3.076) 3.254 14.524 ( 1.377 0.000 -2.499) 2.854 14.540 ( 1.599 0.000 -2.779) 3.207 18.723 ( -1.357 0.000 3.376) 3.638 18.794 ( -1.521 0.000 3.077) 3.432 18.931 ( -0.641 0.000 -1.606) 1.729 18.966 ( -0.857 0.000 -1.397) 1.639 20.017 ( -3.953 0.000 17.239) 17.687 20.068 ( -5.125 0.000 15.588) 16.409 20.428 ( -2.619 0.000 2.559) 3.662 20.522 ( -3.209 0.000 2.076) 3.822 21.994 ( -0.655 0.000 -2.395) 2.483 22.108 ( 1.942 0.000 -5.464) 5.799 22.222 ( -2.154 0.000 -3.694) 4.276 22.312 ( 0.451 0.000 -4.840) 4.861 ======================= Grid point 128 (67/126) ======================= q-point: (-0.62 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.010 0.000 3.101) 3.101 0.710 ( 0.914 0.000 -0.791) 1.209 0.834 ( 4.186 0.000 0.754) 4.254 0.868 ( 0.927 0.000 1.067) 1.413 0.879 ( 0.119 0.000 -1.528) 1.532 0.886 ( -0.671 0.000 1.877) 1.993 0.980 ( -0.586 0.000 -1.806) 1.899 1.027 ( 1.095 0.000 3.613) 3.775 1.141 ( 0.738 0.000 1.932) 2.069 1.190 ( -0.972 0.000 2.151) 2.360 1.288 ( 0.757 0.000 -5.825) 5.873 1.404 ( 2.701 0.000 -6.148) 6.715 1.860 ( 2.696 0.000 9.105) 9.496 2.150 ( -7.098 0.000 2.789) 7.627 2.204 ( 6.633 0.000 -2.120) 6.964 2.421 ( 6.585 0.000 -5.162) 8.366 2.602 ( -2.941 0.000 12.780) 13.114 2.720 ( -3.477 0.000 6.982) 7.800 2.966 ( 0.676 0.000 0.488) 0.834 3.126 ( -2.131 0.000 11.108) 11.310 3.592 ( 6.813 0.000 -5.879) 8.999 3.741 ( 4.049 0.000 -2.607) 4.815 4.147 ( -3.841 0.000 9.956) 10.671 4.160 ( -0.880 0.000 1.013) 1.342 4.867 ( -3.169 0.000 4.731) 5.694 5.006 ( -5.107 0.000 4.527) 6.824 6.421 ( 7.651 0.000 -10.878) 13.299 6.489 ( 8.214 0.000 -11.493) 14.126 7.145 ( 0.117 0.000 5.853) 5.854 7.224 ( 0.542 0.000 -0.106) 0.552 7.228 ( 0.075 0.000 3.488) 3.489 7.273 ( 1.086 0.000 -0.476) 1.186 7.675 ( -7.371 0.000 11.155) 13.371 7.777 ( -4.983 0.000 13.231) 14.138 7.968 ( -3.879 0.000 4.895) 6.245 8.032 ( -3.457 0.000 8.087) 8.795 9.349 ( 1.281 0.000 0.600) 1.415 9.432 ( 0.540 0.000 -0.223) 0.585 9.844 ( 2.688 0.000 -5.019) 5.694 9.902 ( 2.654 0.000 -5.584) 6.182 11.406 ( -0.520 0.000 -0.497) 0.720 11.450 ( -0.166 0.000 -1.313) 1.324 11.637 ( 1.415 0.000 -6.377) 6.532 11.657 ( 1.601 0.000 -7.753) 7.916 14.266 ( -1.205 0.000 3.037) 3.267 14.282 ( -1.096 0.000 3.103) 3.290 14.528 ( 1.332 0.000 -2.488) 2.822 14.546 ( 1.546 0.000 -2.720) 3.128 18.722 ( -1.562 0.000 2.932) 3.322 18.785 ( -1.939 0.000 2.506) 3.168 18.905 ( -0.899 0.000 -1.028) 1.366 18.940 ( -0.576 0.000 -1.228) 1.356 20.088 ( -4.374 0.000 16.357) 16.932 20.111 ( -3.614 0.000 14.948) 15.379 20.412 ( -1.537 0.000 3.126) 3.484 20.490 ( -2.271 0.000 2.686) 3.517 21.966 ( -0.255 0.000 -2.133) 2.148 22.103 ( 2.207 0.000 -4.829) 5.310 22.144 ( -2.705 0.000 -3.861) 4.715 22.270 ( -0.044 0.000 -5.900) 5.900 ======================= Grid point 129 (68/126) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.438 0.000 2.298) 2.340 0.722 ( 0.958 0.000 -0.641) 1.153 0.850 ( -1.512 0.000 -0.792) 1.707 0.865 ( -0.836 0.000 0.030) 0.836 0.915 ( -0.514 0.000 0.153) 0.537 0.936 ( 5.001 0.000 3.131) 5.901 0.938 ( -1.519 0.000 0.597) 1.633 1.068 ( 0.118 0.000 2.142) 2.145 1.157 ( -0.701 0.000 1.581) 1.729 1.206 ( 0.200 0.000 4.085) 4.090 1.251 ( -0.484 0.000 -3.216) 3.252 1.392 ( 1.503 0.000 -6.461) 6.634 1.966 ( -4.048 0.000 10.104) 10.884 2.043 ( -2.294 0.000 1.406) 2.691 2.251 ( 0.199 0.000 -2.870) 2.877 2.466 ( 2.845 0.000 -3.903) 4.830 2.665 ( -2.333 0.000 12.898) 13.107 2.734 ( -2.371 0.000 9.370) 9.665 2.954 ( -1.662 0.000 -1.240) 2.073 3.149 ( -4.609 0.000 8.679) 9.827 3.638 ( 4.039 0.000 -7.393) 8.424 3.771 ( 1.628 0.000 -3.201) 3.591 4.154 ( -0.909 0.000 2.414) 2.580 4.176 ( -2.966 0.000 10.868) 11.266 4.840 ( -3.108 0.000 3.392) 4.601 4.931 ( -7.571 0.000 5.980) 9.648 6.472 ( 7.392 0.000 -10.979) 13.235 6.545 ( 7.884 0.000 -11.195) 13.693 7.171 ( -2.183 0.000 4.858) 5.326 7.229 ( -0.470 0.000 0.719) 0.859 7.229 ( -2.627 0.000 2.823) 3.856 7.281 ( -0.444 0.000 1.146) 1.229 7.649 ( -5.764 0.000 11.537) 12.897 7.799 ( -4.521 0.000 12.964) 13.730 7.925 ( -4.441 0.000 3.526) 5.671 8.027 ( -3.815 0.000 6.964) 7.941 9.380 ( 1.074 0.000 1.079) 1.522 9.441 ( 0.474 0.000 0.053) 0.477 9.844 ( 1.973 0.000 -5.016) 5.390 9.905 ( 2.324 0.000 -4.825) 5.356 11.403 ( 0.781 0.000 -0.593) 0.981 11.451 ( 1.437 0.000 -1.355) 1.975 11.612 ( 2.003 0.000 -6.961) 7.244 11.623 ( 2.128 0.000 -8.267) 8.536 14.268 ( -1.320 0.000 3.028) 3.304 14.286 ( -1.269 0.000 3.075) 3.326 14.530 ( 1.184 0.000 -2.546) 2.808 14.550 ( 1.351 0.000 -2.730) 3.046 18.715 ( -1.706 0.000 2.756) 3.241 18.768 ( -1.935 0.000 2.252) 2.969 18.886 ( -0.365 0.000 -0.502) 0.620 18.932 ( 0.817 0.000 -0.946) 1.250 20.110 ( -6.298 0.000 13.340) 14.752 20.186 ( -2.091 0.000 14.321) 14.473 20.422 ( -0.415 0.000 3.326) 3.352 20.487 ( -0.825 0.000 3.698) 3.789 21.955 ( 0.660 0.000 -1.060) 1.248 22.068 ( -2.179 0.000 -3.085) 3.777 22.112 ( 2.818 0.000 -3.972) 4.870 22.220 ( 0.376 0.000 -6.436) 6.447 ======================= Grid point 130 (69/126) ======================= q-point: (-0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -2.670 0.000 0.946) 2.832 0.735 ( 0.816 0.000 -0.134) 0.827 0.814 ( -2.771 0.000 -1.992) 3.413 0.845 ( -2.275 0.000 1.390) 2.666 0.852 ( -2.734 0.000 2.302) 3.574 0.956 ( 0.156 0.000 1.293) 1.302 1.041 ( -1.653 0.000 -4.342) 4.646 1.052 ( 3.585 0.000 4.067) 5.421 1.155 ( -0.842 0.000 1.318) 1.564 1.236 ( -0.612 0.000 1.620) 1.731 1.251 ( 0.621 0.000 3.901) 3.950 1.349 ( -0.596 0.000 -5.531) 5.563 1.845 ( -10.736 0.000 5.363) 12.001 2.128 ( 3.223 0.000 5.610) 6.470 2.167 ( -6.228 0.000 -3.013) 6.918 2.433 ( -4.997 0.000 -2.154) 5.442 2.707 ( -5.172 0.000 13.730) 14.672 2.792 ( 0.231 0.000 8.414) 8.417 2.910 ( -0.839 0.000 -1.449) 1.674 3.105 ( -6.695 0.000 6.598) 9.400 3.617 ( 0.835 0.000 -8.501) 8.542 3.745 ( -1.046 0.000 -4.073) 4.205 4.165 ( -0.174 0.000 2.948) 2.953 4.214 ( -2.509 0.000 10.164) 10.469 4.816 ( -2.828 0.000 2.907) 4.055 4.845 ( -7.388 0.000 9.013) 11.654 6.498 ( 5.241 0.000 -11.240) 12.401 6.584 ( 6.231 0.000 -11.005) 12.647 7.144 ( -4.630 0.000 3.897) 6.052 7.177 ( -5.203 0.000 3.196) 6.106 7.227 ( -0.550 0.000 0.518) 0.756 7.277 ( -1.209 0.000 1.532) 1.951 7.654 ( -4.650 0.000 12.614) 13.444 7.820 ( -5.136 0.000 13.048) 14.022 7.871 ( -4.264 0.000 3.112) 5.279 8.012 ( -3.609 0.000 6.141) 7.123 9.400 ( 0.355 0.000 0.571) 0.673 9.448 ( 0.147 0.000 -0.033) 0.150 9.838 ( 1.856 0.000 -4.730) 5.081 9.902 ( 1.620 0.000 -4.777) 5.045 11.423 ( 1.783 0.000 -0.614) 1.886 11.477 ( 2.478 0.000 -1.358) 2.826 11.598 ( 3.155 0.000 -7.719) 8.339 11.606 ( 3.290 0.000 -7.511) 8.200 14.268 ( -1.478 0.000 3.042) 3.382 14.286 ( -1.514 0.000 2.988) 3.350 14.529 ( 1.031 0.000 -2.639) 2.834 14.550 ( 1.120 0.000 -2.801) 3.017 18.706 ( -1.871 0.000 2.920) 3.468 18.755 ( -1.482 0.000 2.488) 2.896 18.887 ( 0.827 0.000 -0.223) 0.856 18.953 ( 2.179 0.000 -1.055) 2.421 20.083 ( -7.792 0.000 11.605) 13.979 20.258 ( -1.855 0.000 10.817) 10.975 20.448 ( 0.212 0.000 3.236) 3.243 20.517 ( 0.279 0.000 4.338) 4.347 21.978 ( 2.032 0.000 1.092) 2.307 22.020 ( -0.837 0.000 -1.532) 1.746 22.136 ( 2.903 0.000 -3.778) 4.765 22.187 ( 1.973 0.000 -5.758) 6.086 ======================= Grid point 131 (70/126) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -2.732 0.000 2.709) 3.847 0.730 ( -4.048 0.000 0.130) 4.050 0.731 ( -3.617 0.000 1.649) 3.975 0.813 ( -0.324 0.000 1.552) 1.585 0.860 ( -0.364 0.000 3.449) 3.469 0.958 ( -0.384 0.000 0.106) 0.399 0.970 ( -1.602 0.000 -3.926) 4.241 1.122 ( -0.185 0.000 3.827) 3.832 1.147 ( -1.033 0.000 1.050) 1.473 1.199 ( -3.550 0.000 -3.034) 4.670 1.273 ( -0.857 0.000 0.886) 1.233 1.313 ( 0.628 0.000 -1.521) 1.646 1.713 ( -8.567 0.000 7.066) 11.105 1.991 ( -10.829 0.000 0.221) 10.831 2.218 ( 2.041 0.000 4.157) 4.632 2.246 ( -12.067 0.000 -1.826) 12.205 2.708 ( -7.280 0.000 14.298) 16.045 2.859 ( 0.191 0.000 6.029) 6.032 2.912 ( 0.583 0.000 1.048) 1.200 3.034 ( -5.351 0.000 4.425) 6.943 3.534 ( -1.657 0.000 -8.884) 9.037 3.678 ( -1.655 0.000 -4.954) 5.223 4.196 ( 0.699 0.000 2.873) 2.956 4.246 ( -1.907 0.000 6.752) 7.016 4.768 ( -6.705 0.000 10.058) 12.088 4.846 ( -0.704 0.000 5.891) 5.933 6.478 ( 2.922 0.000 -11.239) 11.613 6.586 ( 3.900 0.000 -11.140) 11.803 7.073 ( -6.243 0.000 3.882) 7.352 7.105 ( -5.348 0.000 3.288) 6.278 7.217 ( -0.678 0.000 -0.014) 0.678 7.261 ( -1.392 0.000 0.478) 1.472 7.683 ( -4.249 0.000 13.866) 14.502 7.827 ( -6.060 0.000 13.804) 15.075 7.831 ( -3.123 0.000 4.246) 5.271 8.002 ( -2.843 0.000 5.947) 6.591 9.404 ( -0.100 0.000 -0.300) 0.316 9.443 ( -0.410 0.000 -0.547) 0.683 9.836 ( 2.052 0.000 -4.590) 5.028 9.888 ( 1.453 0.000 -5.202) 5.401 11.451 ( 1.703 0.000 -0.639) 1.819 11.512 ( 2.425 0.000 -1.291) 2.747 11.603 ( 4.173 0.000 -7.309) 8.416 11.618 ( 4.380 0.000 -6.819) 8.105 14.265 ( -1.559 0.000 3.089) 3.460 14.280 ( -1.730 0.000 2.920) 3.394 14.525 ( 0.973 0.000 -2.710) 2.880 14.545 ( 0.975 0.000 -2.896) 3.056 18.697 ( -1.842 0.000 3.399) 3.866 18.755 ( -1.076 0.000 2.982) 3.170 18.910 ( 1.722 0.000 -0.312) 1.750 18.985 ( 2.341 0.000 -1.677) 2.880 20.024 ( -8.640 0.000 11.242) 14.179 20.276 ( -4.370 0.000 6.073) 7.482 20.479 ( 0.099 0.000 3.059) 3.061 20.561 ( 0.375 0.000 4.137) 4.154 22.008 ( 0.410 0.000 -0.029) 0.411 22.060 ( 4.661 0.000 2.992) 5.539 22.138 ( 2.115 0.000 -5.765) 6.140 22.212 ( 4.084 0.000 -2.897) 5.007 ======================= Grid point 132 (71/126) ======================= q-point: (-0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -1.108 0.000 3.412) 3.588 0.638 ( -8.147 0.000 5.913) 10.067 0.694 ( -1.336 0.000 4.348) 4.549 0.869 ( 2.938 0.000 -2.052) 3.583 0.885 ( 0.321 0.000 2.907) 2.924 0.913 ( -1.271 0.000 -1.046) 1.647 0.947 ( -0.696 0.000 -0.325) 0.768 1.050 ( -6.440 0.000 -2.328) 6.848 1.126 ( -2.369 0.000 0.081) 2.370 1.163 ( 1.288 0.000 0.635) 1.436 1.240 ( -1.841 0.000 -0.586) 1.932 1.320 ( 1.314 0.000 -1.440) 1.949 1.654 ( -5.282 0.000 8.410) 9.931 1.832 ( -7.075 0.000 4.868) 8.589 2.029 ( -8.405 0.000 -1.960) 8.630 2.269 ( 0.990 0.000 1.485) 1.785 2.677 ( -8.463 0.000 13.233) 15.708 2.892 ( -1.316 0.000 4.232) 4.432 2.919 ( -3.890 0.000 6.960) 7.973 3.001 ( -0.050 0.000 -0.114) 0.125 3.427 ( -1.715 0.000 -7.964) 8.147 3.618 ( -0.212 0.000 -4.827) 4.832 4.226 ( 0.084 0.000 1.859) 1.861 4.252 ( -2.007 0.000 3.357) 3.911 4.754 ( -5.014 0.000 12.621) 13.581 4.897 ( 0.832 0.000 5.666) 5.726 6.429 ( 2.187 0.000 -11.000) 11.215 6.546 ( 2.218 0.000 -11.618) 11.827 7.001 ( -5.158 0.000 5.212) 7.333 7.046 ( -3.747 0.000 3.583) 5.185 7.204 ( -0.186 0.000 -1.045) 1.061 7.236 ( -1.056 0.000 -0.872) 1.369 7.720 ( -4.723 0.000 14.500) 15.250 7.831 ( -6.339 0.000 14.517) 15.840 7.832 ( -1.533 0.000 6.423) 6.603 8.006 ( -2.218 0.000 6.207) 6.592 9.391 ( -0.521 0.000 -1.334) 1.432 9.429 ( -0.285 0.000 -0.784) 0.834 9.832 ( 1.852 0.000 -5.215) 5.534 9.878 ( 2.470 0.000 -5.319) 5.864 11.469 ( 0.720 0.000 -0.532) 0.895 11.538 ( 1.359 0.000 -1.253) 1.849 11.627 ( 4.435 0.000 -6.367) 7.759 11.648 ( 4.702 0.000 -6.281) 7.846 14.263 ( -1.509 0.000 3.121) 3.467 14.272 ( -1.735 0.000 2.969) 3.439 14.521 ( 1.038 0.000 -2.718) 2.909 14.539 ( 1.003 0.000 -2.962) 3.127 18.696 ( -1.556 0.000 3.921) 4.218 18.764 ( -0.905 0.000 3.439) 3.556 18.939 ( 1.765 0.000 -0.800) 1.937 19.004 ( 1.293 0.000 -2.073) 2.443 19.965 ( -8.219 0.000 12.535) 14.989 20.198 ( -8.869 0.000 6.117) 10.774 20.497 ( -0.833 0.000 2.678) 2.805 20.592 ( -0.566 0.000 3.421) 3.468 22.022 ( 0.954 0.000 -0.074) 0.957 22.131 ( 2.419 0.000 -5.979) 6.450 22.183 ( 5.711 0.000 1.713) 5.963 22.267 ( 3.973 0.000 -2.310) 4.595 ======================= Grid point 133 (72/126) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -1.581 0.629 4.240) 4.568 0.627 ( -1.086 2.432 3.544) 4.433 0.693 ( -0.150 -3.133 1.573) 3.509 0.801 ( -1.741 -3.511 -0.342) 3.934 0.864 ( -2.649 1.096 -0.751) 2.963 0.922 ( 1.353 -0.756 -1.144) 1.926 0.946 ( 2.494 0.500 -1.808) 3.121 0.970 ( -0.193 0.279 -0.102) 0.354 1.095 ( -3.228 2.382 -1.425) 4.257 1.197 ( -0.233 -1.673 -0.614) 1.797 1.259 ( 4.309 1.186 0.320) 4.481 1.332 ( 1.375 -1.102 -2.694) 3.219 1.711 ( -1.770 5.771 4.298) 7.410 1.899 ( 1.928 2.959 2.879) 4.556 1.947 ( -0.197 2.426 0.080) 2.435 2.223 ( -1.058 -5.121 -0.576) 5.261 2.632 ( -6.993 1.040 10.166) 12.383 2.799 ( -3.356 -5.697 3.559) 7.509 2.938 ( -3.627 3.052 8.567) 9.791 3.030 ( -0.437 0.341 2.741) 2.797 3.394 ( 1.945 2.545 -5.248) 6.149 3.555 ( 1.888 -3.471 -3.543) 5.307 4.223 ( -2.474 0.575 1.512) 2.956 4.240 ( -2.443 0.183 2.634) 3.597 4.812 ( -1.970 2.237 10.670) 11.078 4.935 ( 0.747 -2.348 6.289) 6.754 6.405 ( 2.941 1.668 -11.313) 11.808 6.475 ( 2.501 -1.002 -12.133) 12.428 6.984 ( -2.213 0.510 5.708) 6.143 7.026 ( -0.862 -1.083 4.385) 4.598 7.205 ( 0.657 0.561 -1.370) 1.620 7.218 ( 0.435 0.075 -1.853) 1.905 7.745 ( -5.586 0.267 14.269) 15.326 7.803 ( -6.575 -1.773 13.972) 15.543 7.908 ( -1.511 2.476 8.116) 8.619 8.005 ( -2.317 -1.310 6.914) 7.409 9.373 ( -0.611 0.669 -1.768) 1.986 9.412 ( -0.006 -0.784 -0.991) 1.263 9.832 ( 2.307 0.964 -5.776) 6.294 9.879 ( 3.049 -0.761 -5.547) 6.375 11.478 ( -0.350 0.852 -0.453) 1.026 11.527 ( -0.109 -0.981 -1.150) 1.516 11.659 ( 3.788 0.442 -5.721) 6.876 11.677 ( 4.015 -0.230 -5.950) 7.181 14.262 ( -1.475 0.080 3.090) 3.425 14.267 ( -1.402 -0.102 3.064) 3.371 14.521 ( 1.175 0.205 -2.707) 2.958 14.532 ( 1.201 -0.195 -2.919) 3.162 18.715 ( -1.201 0.975 4.032) 4.318 18.767 ( -0.947 -0.912 3.707) 3.933 18.962 ( 0.976 0.550 -1.486) 1.861 18.994 ( 0.446 -0.625 -1.658) 1.827 19.954 ( -6.993 1.408 14.619) 16.266 20.060 ( -8.754 -2.681 12.310) 15.341 20.508 ( -2.144 1.548 2.106) 3.381 20.582 ( -2.061 -1.107 2.328) 3.300 22.049 ( 0.834 1.465 -1.134) 2.032 22.123 ( 2.300 -0.635 -4.855) 5.409 22.255 ( 2.706 -0.555 -1.261) 3.037 22.298 ( 2.903 -1.273 -2.661) 4.139 ======================= Grid point 134 (73/126) ======================= q-point: ( 0.12 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.536 1.077 2.838) 3.083 0.686 ( 2.489 0.201 -0.883) 2.648 0.687 ( 1.341 -2.218 1.568) 3.029 0.793 ( 0.548 -3.930 0.787) 4.046 0.863 ( 1.761 1.952 1.123) 2.859 0.923 ( -0.074 -0.545 -1.789) 1.872 0.967 ( -0.099 3.185 -2.079) 3.805 0.975 ( 2.385 1.140 -1.103) 2.864 1.055 ( -0.144 -0.685 2.541) 2.636 1.173 ( -1.116 -2.520 -1.745) 3.262 1.329 ( 3.634 -0.261 -2.317) 4.317 1.339 ( 2.626 -1.286 -4.435) 5.312 1.747 ( 0.350 6.228 5.733) 8.472 1.975 ( 6.129 3.333 -3.664) 7.880 2.040 ( 8.643 -2.524 0.954) 9.055 2.208 ( -0.135 -4.780 1.183) 4.926 2.598 ( -5.380 1.735 9.621) 11.159 2.754 ( -4.300 -4.583 3.526) 7.206 2.955 ( -2.356 3.585 8.631) 9.638 3.041 ( -1.545 0.464 4.961) 5.216 3.431 ( 5.559 2.730 -3.352) 7.042 3.585 ( 3.940 -2.960 -2.317) 5.445 4.184 ( -3.588 0.661 3.241) 4.880 4.209 ( -2.775 -0.040 1.765) 3.289 4.864 ( -1.326 2.399 8.481) 8.913 4.992 ( -0.084 -2.274 5.354) 5.817 6.381 ( 4.665 1.239 -11.159) 12.158 6.436 ( 4.383 -0.783 -12.158) 12.948 7.017 ( 0.265 0.547 6.070) 6.100 7.072 ( 1.545 -1.666 4.487) 5.029 7.213 ( 1.175 0.765 -0.810) 1.619 7.226 ( 2.266 0.109 -2.464) 3.349 7.753 ( -6.243 -0.004 13.813) 15.159 7.781 ( -8.050 -0.950 13.209) 15.497 7.952 ( -1.401 1.514 8.540) 8.785 8.017 ( -2.794 -0.910 7.186) 7.764 9.350 ( -0.202 0.960 -1.553) 1.837 9.407 ( 0.330 -1.127 -0.866) 1.459 9.832 ( 2.904 1.133 -5.730) 6.523 9.888 ( 3.065 -0.920 -5.956) 6.761 11.459 ( -1.202 0.781 -0.330) 1.471 11.504 ( -1.272 -0.853 -1.171) 1.928 11.672 ( 2.704 0.418 -5.601) 6.233 11.692 ( 2.929 -0.289 -6.087) 6.761 14.262 ( -1.307 0.119 3.084) 3.352 14.269 ( -1.180 -0.137 3.061) 3.283 14.522 ( 1.327 0.193 -2.617) 2.941 14.532 ( 1.442 -0.188 -2.837) 3.188 18.727 ( -1.169 0.970 3.802) 4.094 18.779 ( -1.099 -0.949 3.566) 3.850 18.957 ( 0.031 0.488 -1.772) 1.838 18.983 ( -0.222 -0.464 -1.466) 1.553 19.970 ( -5.348 0.961 16.384) 17.262 20.034 ( -6.625 -1.403 15.151) 16.596 20.477 ( -2.953 1.435 2.052) 3.872 20.551 ( -3.098 -1.253 1.988) 3.889 22.042 ( -0.054 1.730 -2.200) 2.799 22.118 ( 1.716 -0.411 -5.190) 5.482 22.264 ( 0.131 -0.428 -2.723) 2.760 22.312 ( 1.492 -1.455 -3.611) 4.169 ======================= Grid point 135 (74/126) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.397 0.990 2.448) 2.670 0.674 ( -0.049 -2.403 -0.067) 2.404 0.771 ( 3.893 0.664 -0.910) 4.053 0.826 ( 1.413 -1.602 1.766) 2.771 0.894 ( -0.055 0.919 0.690) 1.150 0.896 ( -0.028 0.931 -1.568) 1.823 0.977 ( 2.070 1.659 -0.091) 2.654 1.016 ( 2.019 1.813 0.592) 2.778 1.096 ( 1.212 -1.820 2.269) 3.151 1.140 ( -0.823 -3.244 -1.056) 3.510 1.338 ( 2.195 0.770 -5.434) 5.911 1.372 ( 3.533 -1.456 -3.749) 5.353 1.808 ( 0.855 5.088 6.630) 8.401 2.056 ( 4.768 -2.902 -3.236) 6.452 2.168 ( 3.343 -1.694 1.364) 3.988 2.278 ( 7.236 -2.032 -0.733) 7.552 2.601 ( -3.295 2.301 10.105) 10.874 2.713 ( -3.910 -2.724 5.195) 7.050 2.986 ( -0.457 3.600 4.619) 5.875 3.070 ( -1.623 0.112 9.456) 9.595 3.523 ( 7.180 2.335 -3.778) 8.443 3.652 ( 5.057 -2.320 -2.366) 6.046 4.154 ( -3.780 0.473 5.996) 7.104 4.175 ( -2.155 -0.203 1.470) 2.617 4.894 ( -2.233 2.157 6.290) 7.014 5.013 ( -2.241 -2.156 4.533) 5.497 6.393 ( 6.573 1.050 -11.059) 12.908 6.439 ( 6.777 -0.645 -11.818) 13.638 7.083 ( 1.185 0.446 5.930) 6.064 7.141 ( 1.848 -2.041 3.645) 4.568 7.234 ( 1.280 1.112 0.039) 1.696 7.252 ( 2.248 0.092 -1.590) 2.755 7.730 ( -7.921 0.163 11.769) 14.187 7.756 ( -6.316 -0.788 13.535) 14.957 7.987 ( -2.413 0.883 7.410) 7.843 8.022 ( -3.215 -0.426 7.691) 8.346 9.344 ( 0.571 1.140 -0.613) 1.415 9.410 ( 0.572 -1.276 -0.500) 1.485 9.842 ( 3.139 1.008 -5.364) 6.296 9.892 ( 2.839 -0.823 -6.031) 6.716 11.432 ( -1.269 0.581 -0.451) 1.466 11.468 ( -1.363 -0.728 -1.242) 1.982 11.665 ( 1.742 0.408 -5.919) 6.183 11.683 ( 1.936 -0.259 -6.669) 6.949 14.265 ( -1.182 0.153 3.066) 3.290 14.274 ( -1.085 -0.176 3.074) 3.265 14.526 ( 1.412 0.211 -2.541) 2.914 14.537 ( 1.570 -0.201 -2.739) 3.163 18.733 ( -1.377 0.917 3.309) 3.699 18.783 ( -1.489 -0.928 3.083) 3.547 18.937 ( -0.688 0.475 -1.537) 1.750 18.961 ( -0.837 -0.428 -1.403) 1.689 20.023 ( -4.121 0.554 17.017) 17.517 20.059 ( -4.943 -0.754 15.857) 16.627 20.442 ( -2.704 1.258 2.466) 3.870 20.509 ( -3.122 -1.180 2.122) 3.955 22.015 ( -0.550 1.805 -2.695) 3.290 22.102 ( 1.163 -0.914 -4.983) 5.198 22.223 ( -1.322 0.477 -3.803) 4.055 22.294 ( 0.377 -1.612 -4.759) 5.038 ======================= Grid point 136 (75/126) ======================= q-point: (-0.62 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.024 0.757 2.633) 2.739 0.682 ( 0.644 -2.121 0.320) 2.240 0.819 ( 1.745 -0.650 0.792) 2.024 0.845 ( -0.451 -1.463 0.140) 1.537 0.908 ( 1.833 1.757 -0.317) 2.559 0.910 ( 1.464 1.533 1.691) 2.712 0.999 ( 0.307 1.967 -1.305) 2.380 1.050 ( 0.262 1.528 2.112) 2.620 1.124 ( 0.337 -1.582 1.476) 2.189 1.133 ( -0.011 -3.705 0.630) 3.758 1.329 ( 1.288 2.392 -4.258) 5.051 1.398 ( 3.016 -0.668 -4.929) 5.816 1.895 ( 2.310 3.000 7.469) 8.374 2.078 ( -1.933 -4.905 2.642) 5.897 2.233 ( 3.441 2.048 -0.602) 4.050 2.380 ( 4.330 -3.378 -1.652) 5.734 2.633 ( -2.263 2.034 9.372) 9.853 2.698 ( -3.320 -1.557 6.992) 7.895 3.010 ( -0.079 3.518 1.804) 3.954 3.123 ( -1.987 -0.645 9.544) 9.770 3.613 ( 6.270 1.845 -5.301) 8.416 3.719 ( 4.324 -1.963 -3.020) 5.628 4.148 ( -3.378 0.153 8.528) 9.173 4.158 ( -1.327 -0.173 2.180) 2.558 4.885 ( -3.544 1.647 4.658) 6.080 4.984 ( -4.941 -1.951 4.501) 6.963 6.435 ( 7.845 1.156 -11.001) 13.560 6.482 ( 8.232 -0.600 -11.457) 14.121 7.144 ( 0.098 0.120 5.228) 5.231 7.189 ( 0.426 -1.804 2.623) 3.212 7.254 ( 0.141 1.104 1.262) 1.683 7.276 ( 0.952 0.152 0.123) 0.972 7.687 ( -6.925 1.076 11.361) 13.348 7.758 ( -5.252 -1.550 12.781) 13.905 7.981 ( -3.779 1.093 5.421) 6.698 8.026 ( -3.504 -0.543 7.634) 8.417 9.361 ( 1.175 1.023 0.508) 1.639 9.419 ( 0.648 -1.119 -0.069) 1.295 9.854 ( 2.683 0.826 -5.125) 5.844 9.894 ( 2.659 -0.669 -5.520) 6.163 11.410 ( -0.480 0.437 -0.695) 0.951 11.441 ( -0.225 -0.717 -1.292) 1.495 11.642 ( 1.438 0.375 -6.493) 6.661 11.656 ( 1.578 -0.137 -7.466) 7.633 14.268 ( -1.195 0.180 3.046) 3.277 14.279 ( -1.119 -0.218 3.092) 3.295 14.531 ( 1.367 0.241 -2.521) 2.878 14.543 ( 1.518 -0.222 -2.685) 3.093 18.731 ( -1.604 0.810 2.852) 3.371 18.775 ( -1.861 -0.822 2.544) 3.258 18.911 ( -0.887 0.456 -1.040) 1.441 18.935 ( -0.653 -0.439 -1.186) 1.424 20.089 ( -4.351 0.134 16.105) 16.683 20.105 ( -3.846 -0.468 15.095) 15.584 20.425 ( -1.594 1.072 3.119) 3.663 20.479 ( -2.128 -0.928 2.793) 3.631 21.984 ( -0.324 1.628 -2.417) 2.932 22.079 ( 0.329 -1.932 -4.124) 4.565 22.166 ( -0.784 1.723 -4.451) 4.837 22.252 ( 0.005 -1.547 -5.697) 5.903 ======================= Grid point 137 (76/126) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.282 0.666 2.385) 2.492 0.700 ( 0.776 -1.805 0.755) 2.104 0.826 ( -1.432 -1.218 0.880) 2.075 0.847 ( -0.183 -1.831 1.258) 2.229 0.923 ( -0.222 2.685 -1.498) 3.083 0.973 ( -0.071 2.501 -1.468) 2.900 0.983 ( 3.372 1.919 1.970) 4.351 1.059 ( -0.688 -0.807 0.773) 1.312 1.133 ( -0.401 -1.858 1.631) 2.504 1.144 ( 0.113 -3.243 1.739) 3.681 1.318 ( -0.018 3.684 -1.188) 3.870 1.397 ( 1.354 0.128 -5.182) 5.358 2.000 ( -0.907 2.570 8.853) 9.263 2.046 ( -1.327 0.359 2.520) 2.870 2.263 ( -0.112 1.294 -1.284) 1.826 2.421 ( 1.230 -3.938 -0.309) 4.137 2.666 ( -3.038 0.147 9.988) 10.441 2.705 ( -2.716 -1.990 8.368) 9.020 2.999 ( -2.081 3.550 -0.005) 4.115 3.134 ( -4.467 -1.513 7.071) 8.500 3.654 ( 3.543 1.469 -6.780) 7.790 3.748 ( 1.816 -1.950 -3.887) 4.712 4.157 ( -1.074 0.304 3.555) 3.726 4.173 ( -2.533 -0.247 9.590) 9.922 4.850 ( -3.927 0.861 3.907) 5.606 4.913 ( -7.087 -1.494 5.706) 9.221 6.488 ( 7.627 1.370 -11.133) 13.564 6.540 ( 7.966 -0.550 -11.303) 13.839 7.166 ( -2.039 -0.219 4.292) 4.757 7.197 ( -2.029 -1.543 2.835) 3.812 7.257 ( -1.093 1.291 1.595) 2.325 7.285 ( -0.708 0.145 1.453) 1.623 7.668 ( -5.529 1.732 11.593) 12.961 7.773 ( -4.617 -2.191 12.395) 13.407 7.945 ( -4.371 1.649 4.290) 6.343 8.016 ( -3.925 -1.014 6.507) 7.667 9.389 ( 1.008 0.764 0.949) 1.581 9.432 ( 0.580 -0.804 0.228) 1.017 9.854 ( 2.017 0.856 -5.006) 5.464 9.897 ( 2.267 -0.729 -4.868) 5.419 11.407 ( 0.895 0.428 -0.819) 1.286 11.441 ( 1.366 -0.820 -1.388) 2.114 11.616 ( 1.993 0.303 -7.044) 7.327 11.624 ( 2.087 0.030 -7.924) 8.194 14.271 ( -1.321 0.196 3.038) 3.319 14.283 ( -1.287 -0.255 3.071) 3.339 14.534 ( 1.211 0.270 -2.572) 2.856 14.547 ( 1.330 -0.240 -2.703) 3.022 18.723 ( -1.720 0.693 2.674) 3.255 18.760 ( -1.874 -0.666 2.318) 3.054 18.892 ( -0.246 0.551 -0.568) 0.828 18.925 ( 0.589 -0.644 -0.881) 1.240 20.115 ( -5.954 0.546 13.442) 14.712 20.167 ( -3.130 -1.503 14.085) 14.507 20.435 ( -0.326 1.072 3.500) 3.675 20.480 ( -0.682 -0.650 3.718) 3.836 21.968 ( 0.445 1.206 -1.302) 1.829 22.044 ( -0.903 -1.771 -2.686) 3.341 22.135 ( 1.609 1.657 -4.422) 4.989 22.207 ( 0.542 -1.179 -6.116) 6.252 ======================= Grid point 138 (77/126) ======================= q-point: (-0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -1.673 1.783 1.330) 2.783 0.721 ( 0.753 -1.262 0.430) 1.531 0.810 ( -2.172 -1.105 2.664) 3.610 0.834 ( -1.574 0.204 -0.103) 1.590 0.874 ( -2.356 0.955 -1.362) 2.884 0.944 ( -1.721 0.418 -1.308) 2.202 1.029 ( -0.956 -0.770 -2.857) 3.110 1.082 ( 4.077 0.667 1.488) 4.391 1.136 ( -0.864 -0.948 2.262) 2.600 1.182 ( 0.994 -2.076 3.810) 4.452 1.301 ( -1.839 2.341 0.508) 3.020 1.360 ( -0.866 0.380 -4.499) 4.597 1.943 ( -7.054 7.858 4.965) 11.669 2.135 ( 3.363 0.297 4.592) 5.700 2.195 ( -5.981 2.583 -1.297) 6.642 2.394 ( -5.177 -3.665 -0.059) 6.344 2.684 ( -5.145 -1.551 12.629) 13.725 2.741 ( -1.054 -3.655 8.076) 8.928 2.954 ( -1.800 3.204 -0.006) 3.675 3.083 ( -6.220 -1.953 5.382) 8.454 3.629 ( 0.442 1.172 -7.966) 8.064 3.718 ( -0.953 -2.189 -4.953) 5.498 4.175 ( -0.361 0.843 3.992) 4.096 4.210 ( -2.047 -0.414 9.174) 9.409 4.816 ( -3.461 -0.024 3.923) 5.232 4.834 ( -7.066 -0.847 8.378) 10.992 6.518 ( 5.549 1.636 -11.457) 12.835 6.578 ( 6.232 -0.629 -11.298) 12.918 7.141 ( -4.345 -0.192 3.686) 5.701 7.161 ( -4.522 -1.079 3.204) 5.646 7.245 ( -1.310 1.262 1.180) 2.168 7.278 ( -1.422 -0.044 1.666) 2.191 7.674 ( -4.732 1.849 12.491) 13.485 7.788 ( -4.946 -2.455 12.097) 13.298 7.900 ( -4.259 2.216 4.346) 6.476 7.996 ( -3.681 -1.466 5.817) 7.039 9.408 ( 0.359 0.642 0.495) 0.887 9.441 ( 0.204 -0.585 0.066) 0.623 9.848 ( 1.808 0.875 -4.736) 5.145 9.893 ( 1.642 -0.787 -4.770) 5.106 11.428 ( 1.939 0.476 -0.866) 2.176 11.465 ( 2.441 -0.939 -1.459) 2.995 11.602 ( 3.125 0.296 -7.478) 8.110 11.608 ( 3.205 0.108 -7.394) 8.060 14.270 ( -1.490 0.191 3.046) 3.396 14.282 ( -1.521 -0.268 3.011) 3.384 14.532 ( 1.045 0.285 -2.665) 2.876 14.547 ( 1.109 -0.250 -2.780) 3.004 18.713 ( -1.797 0.682 2.851) 3.439 18.749 ( -1.518 -0.601 2.545) 3.023 18.895 ( 0.965 0.726 -0.325) 1.250 18.941 ( 1.914 -0.975 -0.907) 2.331 20.096 ( -7.444 1.273 11.725) 13.947 20.213 ( -3.671 -3.460 11.317) 12.390 20.466 ( 0.429 1.309 3.340) 3.613 20.512 ( 0.435 -0.516 4.183) 4.237 21.984 ( 1.632 0.511 0.696) 1.846 22.013 ( -0.360 -0.579 -1.135) 1.324 22.144 ( 2.715 0.657 -4.103) 4.964 22.179 ( 2.085 -0.644 -5.493) 5.910 ======================= Grid point 139 (78/126) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -2.250 2.860 1.055) 3.788 0.714 ( -1.927 -0.818 -1.140) 2.383 0.760 ( -4.285 1.583 2.291) 5.110 0.828 ( -0.119 1.189 0.228) 1.217 0.847 ( -0.324 -1.638 3.421) 3.807 0.898 ( -1.024 -2.802 -1.835) 3.502 0.996 ( -0.841 1.373 -1.837) 2.442 1.107 ( -1.276 -3.033 -0.797) 3.385 1.161 ( -1.048 2.277 3.443) 4.259 1.202 ( -0.432 -0.010 0.288) 0.520 1.253 ( -3.430 -0.187 -0.204) 3.441 1.321 ( 0.324 -0.355 -1.149) 1.245 1.859 ( -5.723 11.246 3.017) 12.974 2.034 ( -10.749 3.658 1.730) 11.485 2.197 ( -3.298 -2.199 -0.002) 3.964 2.241 ( -6.858 -0.817 2.417) 7.318 2.688 ( -6.432 -1.300 13.751) 15.237 2.787 ( -0.876 -4.969 6.639) 8.339 2.947 ( -0.642 1.927 2.428) 3.165 3.020 ( -4.200 -1.254 4.043) 5.963 3.546 ( -1.687 1.153 -8.481) 8.723 3.645 ( -1.738 -2.688 -5.778) 6.606 4.208 ( 0.329 0.991 3.548) 3.698 4.244 ( -1.610 -0.272 6.549) 6.749 4.774 ( -5.901 0.586 9.625) 11.305 4.826 ( -1.569 -1.531 6.528) 6.886 6.501 ( 3.229 1.929 -11.569) 12.165 6.576 ( 3.848 -0.930 -11.477) 12.140 7.074 ( -5.891 0.151 3.755) 6.988 7.096 ( -5.213 -0.698 3.257) 6.187 7.230 ( -1.039 0.983 0.325) 1.467 7.261 ( -1.433 -0.132 0.596) 1.558 7.697 ( -4.632 1.324 13.455) 14.291 7.792 ( -5.389 -2.231 12.003) 13.345 7.871 ( -3.416 2.643 6.237) 7.587 7.984 ( -2.832 -1.657 5.969) 6.811 9.410 ( -0.139 0.562 -0.348) 0.676 9.438 ( -0.365 -0.452 -0.525) 0.784 9.844 ( 1.965 0.716 -4.653) 5.101 9.881 ( 1.539 -0.633 -5.088) 5.353 11.457 ( 1.902 0.580 -0.869) 2.170 11.500 ( 2.450 -1.031 -1.437) 3.022 11.608 ( 4.101 0.407 -6.997) 8.120 11.618 ( 4.268 0.015 -6.748) 7.985 14.267 ( -1.584 0.159 3.080) 3.467 14.277 ( -1.709 -0.230 2.970) 3.434 14.528 ( 0.973 0.276 -2.742) 2.923 14.543 ( 0.975 -0.244 -2.876) 3.046 18.706 ( -1.722 0.799 3.326) 3.830 18.747 ( -1.177 -0.690 3.026) 3.319 18.919 ( 1.780 0.818 -0.438) 2.008 18.972 ( 2.205 -1.150 -1.388) 2.848 20.042 ( -8.486 1.804 11.278) 14.229 20.209 ( -5.908 -5.047 8.454) 11.483 20.499 ( 0.235 1.532 2.846) 3.241 20.556 ( 0.499 -0.575 3.713) 3.790 22.012 ( 0.758 0.363 0.143) 0.853 22.045 ( 3.398 -1.057 1.862) 4.016 22.153 ( 2.804 1.159 -4.728) 5.617 22.203 ( 3.928 -0.795 -3.112) 5.074 ======================= Grid point 140 (79/126) ======================= q-point: (-0.12 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -2.061 1.439 2.554) 3.583 0.658 ( -3.999 0.438 2.089) 4.533 0.698 ( -3.705 1.382 3.288) 5.143 0.844 ( -1.184 -3.244 -0.617) 3.508 0.885 ( 1.804 0.006 1.019) 2.072 0.892 ( 2.435 -0.579 0.063) 2.503 0.952 ( -2.586 0.917 -1.418) 3.088 1.026 ( -5.101 -1.889 -1.601) 5.671 1.140 ( -1.087 0.892 -0.132) 1.412 1.202 ( -0.969 -2.098 0.036) 2.311 1.212 ( -0.057 3.392 1.267) 3.621 1.330 ( 0.728 -0.425 -0.865) 1.208 1.764 ( -6.159 8.249 1.271) 10.373 1.900 ( -6.033 5.548 5.939) 10.122 2.023 ( -8.077 -0.195 -0.099) 8.080 2.240 ( -0.429 -3.021 0.433) 3.082 2.672 ( -7.270 -0.051 12.533) 14.489 2.811 ( -1.858 -5.571 4.984) 7.703 2.944 ( -3.588 1.775 6.424) 7.570 3.012 ( 0.017 -0.017 2.028) 2.028 3.446 ( -1.321 1.734 -7.646) 7.950 3.577 ( -0.259 -3.328 -5.296) 6.260 4.235 ( -0.301 0.697 2.159) 2.289 4.254 ( -1.943 0.086 3.755) 4.229 4.772 ( -3.953 1.555 11.522) 12.280 4.871 ( 0.170 -2.211 6.752) 7.107 6.454 ( 2.302 1.984 -11.486) 11.881 6.534 ( 2.268 -1.106 -11.794) 12.061 7.006 ( -4.878 0.445 4.784) 6.846 7.037 ( -3.885 -0.745 3.656) 5.386 7.213 ( -0.407 0.741 -0.890) 1.228 7.236 ( -1.044 -0.060 -0.799) 1.316 7.724 ( -4.902 0.580 13.965) 14.812 7.797 ( -5.440 -2.024 13.296) 14.508 7.877 ( -2.351 2.858 7.697) 8.540 7.990 ( -2.239 -1.536 6.510) 7.053 9.397 ( -0.534 0.509 -1.273) 1.471 9.424 ( -0.368 -0.481 -0.870) 1.060 9.840 ( 1.963 0.670 -5.209) 5.606 9.872 ( 2.398 -0.530 -5.287) 5.829 11.478 ( 0.908 0.745 -0.707) 1.371 11.525 ( 1.417 -1.050 -1.280) 2.179 11.633 ( 4.362 0.460 -6.237) 7.625 11.647 ( 4.588 -0.113 -6.224) 7.733 14.264 ( -1.538 0.100 3.108) 3.469 14.270 ( -1.694 -0.144 3.008) 3.455 14.524 ( 1.031 0.241 -2.760) 2.956 14.536 ( 1.006 -0.221 -2.934) 3.110 18.707 ( -1.460 0.922 3.832) 4.203 18.754 ( -0.999 -0.822 3.481) 3.713 18.947 ( 1.710 0.723 -0.892) 2.059 18.992 ( 1.373 -0.969 -1.771) 2.442 19.984 ( -8.322 1.806 12.476) 15.105 20.140 ( -8.810 -4.496 8.772) 13.221 20.517 ( -0.818 1.607 2.431) 3.027 20.584 ( -0.586 -0.820 2.938) 3.106 22.033 ( 1.299 1.016 -0.082) 1.652 22.109 ( 3.000 -1.886 -2.573) 4.379 22.193 ( 4.292 1.031 -1.076) 4.543 22.255 ( 3.885 -1.119 -2.408) 4.705 ======================= Grid point 141 (80/126) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -1.291 -2.704 2.947) 4.202 0.602 ( -1.291 2.704 2.947) 4.202 0.719 ( -1.528 -3.659 -0.106) 3.967 0.719 ( -1.528 3.659 -0.106) 3.967 0.897 ( -0.353 -1.492 -0.873) 1.765 0.897 ( -0.353 1.492 -0.873) 1.765 0.960 ( 2.095 -0.782 -0.998) 2.449 0.960 ( 2.095 0.782 -0.998) 2.449 1.149 ( -1.114 -2.485 -1.570) 3.143 1.149 ( -1.114 2.485 -1.570) 3.143 1.296 ( 1.461 -2.037 -1.192) 2.776 1.296 ( 1.461 2.037 -1.192) 2.776 1.847 ( 0.098 -5.520 1.645) 5.761 1.847 ( 0.098 5.520 1.645) 5.761 2.085 ( -1.677 -7.250 0.481) 7.457 2.085 ( -1.677 7.250 0.481) 7.457 2.686 ( -4.777 -4.130 7.148) 9.537 2.686 ( -4.777 4.130 7.148) 9.537 3.005 ( -1.829 -2.567 6.159) 6.918 3.005 ( -1.829 2.567 6.159) 6.918 3.468 ( 2.181 -4.102 -4.304) 6.333 3.468 ( 2.181 4.102 -4.304) 6.333 4.237 ( -2.523 -0.495 2.184) 3.373 4.237 ( -2.523 0.495 2.184) 3.373 4.873 ( -0.408 -3.173 8.388) 8.978 4.873 ( -0.408 3.173 8.388) 8.978 6.445 ( 2.733 -1.764 -11.936) 12.372 6.445 ( 2.733 1.764 -11.936) 12.372 7.001 ( -1.625 -1.049 4.875) 5.245 7.001 ( -1.625 1.049 4.875) 5.245 7.216 ( 0.539 -0.308 -1.544) 1.664 7.216 ( 0.539 0.308 -1.544) 1.664 7.765 ( -5.957 -1.533 14.095) 15.378 7.765 ( -5.957 1.533 14.095) 15.378 7.964 ( -2.078 -2.443 7.528) 8.182 7.964 ( -2.078 2.443 7.528) 8.182 9.392 ( -0.364 -1.020 -1.351) 1.731 9.392 ( -0.364 1.020 -1.351) 1.731 9.857 ( 2.697 -1.204 -5.671) 6.394 9.857 ( 2.697 1.204 -5.671) 6.394 11.502 ( -0.179 -1.277 -0.811) 1.523 11.502 ( -0.179 1.277 -0.811) 1.523 11.670 ( 3.860 -0.466 -5.839) 7.015 11.670 ( 3.860 0.466 -5.839) 7.015 14.264 ( -1.436 -0.131 3.080) 3.401 14.264 ( -1.436 0.131 3.080) 3.401 14.527 ( 1.187 -0.282 -2.817) 3.070 14.527 ( 1.187 0.282 -2.817) 3.070 18.741 ( -1.078 -1.336 3.843) 4.209 18.741 ( -1.078 1.336 3.843) 4.209 18.978 ( 0.737 -0.821 -1.507) 1.868 18.978 ( 0.737 0.821 -1.507) 1.868 19.999 ( -7.674 -2.684 13.979) 16.171 19.999 ( -7.674 2.684 13.979) 16.171 20.548 ( -2.129 -1.909 2.033) 3.508 20.548 ( -2.129 1.909 2.033) 3.508 22.090 ( 1.646 -2.132 -2.244) 3.506 22.090 ( 1.646 2.132 -2.244) 3.506 22.266 ( 2.676 -1.371 -2.358) 3.822 22.266 ( 2.676 1.371 -2.358) 3.822 ======================= Grid point 143 (81/126) ======================= q-point: ( 0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.183 -2.483 2.057) 3.229 0.618 ( -0.183 2.483 2.057) 3.229 0.727 ( 2.492 -2.304 0.620) 3.450 0.727 ( 2.492 2.304 0.620) 3.450 0.899 ( 0.982 -1.464 -0.641) 1.876 0.899 ( 0.982 1.464 -0.641) 1.876 1.000 ( 2.775 -0.880 -0.645) 2.982 1.000 ( 2.775 0.880 -0.645) 2.982 1.092 ( -2.327 -4.317 -2.217) 5.382 1.092 ( -2.327 4.317 -2.217) 5.382 1.323 ( 3.009 -0.032 -3.117) 4.333 1.323 ( 3.009 0.032 -3.117) 4.333 1.904 ( 2.805 -7.346 1.020) 7.929 1.904 ( 2.805 7.346 1.020) 7.929 2.097 ( 3.611 -5.297 0.415) 6.424 2.097 ( 3.611 5.297 0.415) 6.424 2.659 ( -4.273 -3.884 7.103) 9.154 2.659 ( -4.273 3.884 7.103) 9.154 3.023 ( -2.005 -2.250 7.050) 7.667 3.023 ( -2.005 2.250 7.050) 7.667 3.507 ( 4.852 -3.989 -2.665) 6.823 3.507 ( 4.852 3.989 -2.665) 6.823 4.201 ( -3.219 -0.689 2.384) 4.064 4.201 ( -3.219 0.689 2.384) 4.064 4.929 ( -0.625 -3.322 6.759) 7.557 4.929 ( -0.625 3.322 6.759) 7.557 6.411 ( 4.522 -1.396 -11.769) 12.685 6.411 ( 4.522 1.396 -11.769) 12.685 7.037 ( 0.784 -1.368 5.146) 5.382 7.037 ( 0.784 1.368 5.146) 5.382 7.225 ( 1.766 -0.254 -1.520) 2.344 7.225 ( 1.766 0.254 -1.520) 2.344 7.761 ( -7.019 -0.721 13.611) 15.331 7.761 ( -7.019 0.721 13.611) 15.331 7.989 ( -2.188 -1.646 7.766) 8.235 7.989 ( -2.188 1.646 7.766) 8.235 9.378 ( 0.038 -1.479 -1.151) 1.874 9.378 ( 0.038 1.479 -1.151) 1.874 9.861 ( 2.991 -1.439 -5.872) 6.745 9.861 ( 2.991 1.439 -5.872) 6.745 11.481 ( -1.242 -1.151 -0.754) 1.854 11.481 ( -1.242 1.151 -0.754) 1.854 11.683 ( 2.809 -0.499 -5.852) 6.510 11.683 ( 2.809 0.499 -5.852) 6.510 14.265 ( -1.245 -0.183 3.073) 3.321 14.265 ( -1.245 0.183 3.073) 3.321 14.527 ( 1.386 -0.269 -2.729) 3.073 14.527 ( 1.386 0.269 -2.729) 3.073 18.753 ( -1.136 -1.349 3.656) 4.059 18.753 ( -1.136 1.349 3.656) 4.059 18.971 ( -0.093 -0.666 -1.583) 1.720 18.971 ( -0.093 0.666 -1.583) 1.720 19.999 ( -5.882 -1.631 15.923) 17.053 19.999 ( -5.882 1.631 15.923) 17.053 20.515 ( -3.047 -1.908 1.924) 4.078 20.515 ( -3.047 1.908 1.924) 4.078 22.088 ( 0.666 -2.199 -3.326) 4.043 22.088 ( 0.666 2.199 -3.326) 4.043 22.276 ( 1.034 -1.517 -3.320) 3.794 22.276 ( 1.034 1.517 -3.320) 3.794 ======================= Grid point 145 (82/126) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -0.178 -1.960 1.271) 2.343 0.625 ( -0.178 1.960 1.271) 2.343 0.792 ( 2.833 -1.319 0.478) 3.162 0.792 ( 2.833 1.319 0.478) 3.162 0.907 ( 0.173 -0.254 0.099) 0.323 0.907 ( 0.173 0.254 0.099) 0.323 1.037 ( 1.757 -3.140 -1.201) 3.794 1.037 ( 1.757 3.140 -1.201) 3.794 1.069 ( 0.508 -2.959 1.169) 3.222 1.069 ( 0.508 2.959 1.169) 3.222 1.349 ( 3.246 -0.598 -4.301) 5.421 1.349 ( 3.246 0.598 -4.301) 5.421 1.938 ( 0.329 -6.516 2.149) 6.869 1.938 ( 0.329 6.516 2.149) 6.869 2.208 ( 6.814 -3.734 -0.712) 7.803 2.208 ( 6.814 3.734 -0.712) 7.803 2.654 ( -3.003 -2.618 7.838) 8.793 2.654 ( -3.003 2.618 7.838) 8.793 3.052 ( -1.282 -2.049 7.164) 7.560 3.052 ( -1.282 2.049 7.164) 7.560 3.588 ( 6.057 -3.331 -2.908) 7.500 3.588 ( 6.057 3.331 -2.908) 7.500 4.166 ( -3.028 -0.587 3.552) 4.704 4.166 ( -3.028 0.587 3.552) 4.704 4.954 ( -2.254 -3.095 5.247) 6.495 4.954 ( -2.254 3.095 5.247) 6.495 6.418 ( 6.714 -1.194 -11.478) 13.351 6.418 ( 6.714 1.194 -11.478) 13.351 7.102 ( 1.474 -1.381 4.713) 5.128 7.102 ( 1.474 1.381 4.713) 5.128 7.250 ( 1.723 -0.377 -0.593) 1.861 7.250 ( 1.723 0.377 -0.593) 1.861 7.738 ( -7.048 -0.670 12.662) 14.507 7.738 ( -7.048 0.670 12.662) 14.507 8.008 ( -2.779 -0.923 7.508) 8.059 8.008 ( -2.779 0.923 7.508) 8.059 9.376 ( 0.564 -1.712 -0.506) 1.872 9.376 ( 0.564 1.712 -0.506) 1.872 9.869 ( 2.990 -1.282 -5.725) 6.584 9.869 ( 2.990 1.282 -5.725) 6.584 11.449 ( -1.341 -0.912 -0.888) 1.849 11.449 ( -1.341 0.912 -0.888) 1.849 11.675 ( 1.847 -0.466 -6.260) 6.543 11.675 ( 1.847 0.466 -6.260) 6.543 14.269 ( -1.137 -0.233 3.070) 3.282 14.269 ( -1.137 0.233 3.070) 3.282 14.532 ( 1.494 -0.291 -2.640) 3.047 14.532 ( 1.494 0.291 -2.640) 3.047 18.758 ( -1.428 -1.290 3.169) 3.708 18.758 ( -1.428 1.290 3.169) 3.708 18.949 ( -0.776 -0.625 -1.442) 1.753 18.949 ( -0.776 0.625 -1.442) 1.753 20.040 ( -4.525 -0.920 16.460) 17.096 20.040 ( -4.525 0.920 16.460) 17.096 20.476 ( -2.912 -1.725 2.270) 4.076 20.476 ( -2.912 1.725 2.270) 4.076 22.063 ( -0.101 -2.408 -3.634) 4.360 22.063 ( -0.101 2.408 -3.634) 4.360 22.252 ( -0.024 -1.987 -4.411) 4.838 22.252 ( -0.024 1.987 -4.411) 4.838 ======================= Grid point 147 (83/126) ======================= q-point: (-0.62 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.228 -1.753 1.684) 2.442 0.638 ( 0.228 1.753 1.684) 2.442 0.819 ( 0.100 -0.708 0.467) 0.854 0.819 ( 0.100 0.708 0.467) 0.854 0.931 ( 2.251 -0.044 0.785) 2.384 0.931 ( 2.251 0.044 0.785) 2.384 1.055 ( 0.537 -3.013 -0.839) 3.173 1.055 ( 0.537 3.013 -0.839) 3.173 1.086 ( -0.067 -1.695 1.386) 2.190 1.086 ( -0.067 1.695 1.386) 2.190 1.373 ( 2.826 -1.657 -3.684) 4.930 1.373 ( 2.826 1.657 -3.684) 4.930 1.976 ( 0.994 -4.321 4.571) 6.368 1.976 ( 0.994 4.321 4.571) 6.368 2.297 ( 2.973 -3.836 0.071) 4.853 2.297 ( 2.973 3.836 0.071) 4.853 2.668 ( -2.662 -1.295 7.363) 7.936 2.668 ( -2.662 1.295 7.363) 7.936 3.086 ( -1.294 -2.885 5.554) 6.391 3.086 ( -1.294 2.885 5.554) 6.391 3.665 ( 5.155 -2.755 -4.071) 7.123 3.665 ( 5.155 2.755 -4.071) 7.123 4.153 ( -2.344 -0.252 5.227) 5.734 4.153 ( -2.344 0.252 5.227) 5.734 4.933 ( -4.346 -2.552 4.529) 6.776 4.933 ( -4.346 2.552 4.529) 6.776 6.463 ( 8.146 -1.218 -11.276) 13.963 6.463 ( 8.146 1.218 -11.276) 13.963 7.156 ( 0.195 -1.075 4.001) 4.148 7.156 ( 0.195 1.075 4.001) 4.148 7.272 ( 0.513 -0.552 0.860) 1.143 7.272 ( 0.513 0.552 0.860) 1.143 7.720 ( -6.003 -1.844 11.961) 13.509 7.720 ( -6.003 1.844 11.961) 13.509 8.008 ( -3.616 -1.170 6.550) 7.572 8.008 ( -3.616 1.170 6.550) 7.572 9.389 ( 0.912 -1.517 0.251) 1.788 9.389 ( 0.912 1.517 0.251) 1.788 9.875 ( 2.671 -1.047 -5.343) 6.064 9.875 ( 2.671 1.047 -5.343) 6.064 11.424 ( -0.362 -0.793 -1.077) 1.386 11.424 ( -0.362 0.793 -1.077) 1.386 11.650 ( 1.508 -0.360 -6.899) 7.071 11.650 ( 1.508 0.360 -6.899) 7.071 14.274 ( -1.164 -0.280 3.068) 3.293 14.274 ( -1.164 0.280 3.068) 3.293 14.537 ( 1.447 -0.326 -2.602) 2.995 14.537 ( 1.447 0.326 -2.602) 2.995 18.753 ( -1.717 -1.143 2.679) 3.381 18.753 ( -1.717 1.143 2.679) 3.381 18.923 ( -0.801 -0.622 -1.100) 1.496 18.923 ( -0.801 0.622 -1.100) 1.496 20.095 ( -4.199 -0.419 15.550) 16.113 20.095 ( -4.199 0.419 15.550) 16.113 20.453 ( -1.820 -1.405 3.002) 3.781 20.453 ( -1.820 1.405 3.002) 3.781 22.030 ( -0.355 -2.422 -3.176) 4.010 22.030 ( -0.355 2.422 -3.176) 4.010 22.210 ( -0.020 -2.220 -5.151) 5.609 22.210 ( -0.020 2.220 -5.151) 5.609 ======================= Grid point 149 (84/126) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.193 -1.743 2.216) 2.825 0.658 ( 0.193 1.743 2.216) 2.825 0.819 ( -0.911 -0.567 1.331) 1.709 0.819 ( -0.911 0.567 1.331) 1.709 0.986 ( 2.457 -1.947 -1.383) 3.426 0.986 ( 2.457 1.947 -1.383) 3.426 1.026 ( -1.158 -2.120 -1.724) 2.968 1.026 ( -1.158 2.120 -1.724) 2.968 1.104 ( 0.104 -0.179 3.026) 3.033 1.104 ( 0.104 0.179 3.026) 3.033 1.381 ( 0.714 -1.875 -2.869) 3.500 1.381 ( 0.714 1.875 -2.869) 3.500 2.044 ( 1.488 -1.112 5.347) 5.661 2.044 ( 1.488 1.112 5.347) 5.661 2.323 ( -0.865 -4.351 1.699) 4.750 2.323 ( -0.865 4.351 1.699) 4.750 2.674 ( -3.420 -0.782 7.649) 8.415 2.674 ( -3.420 0.782 7.649) 8.415 3.080 ( -3.469 -3.483 3.294) 5.918 3.080 ( -3.469 3.483 3.294) 5.918 3.698 ( 2.522 -2.440 -5.365) 6.411 3.698 ( 2.522 2.440 -5.365) 6.411 4.166 ( -1.668 -0.414 6.503) 6.727 4.166 ( -1.668 0.414 6.503) 6.727 4.877 ( -5.671 -1.639 4.928) 7.690 4.877 ( -5.671 1.639 4.928) 7.690 6.520 ( 7.955 -1.307 -11.355) 13.926 6.520 ( 7.955 1.307 -11.355) 13.926 7.171 ( -2.059 -0.754 3.667) 4.272 7.171 ( -2.059 0.754 3.667) 4.272 7.280 ( -0.949 -0.715 1.737) 2.104 7.280 ( -0.949 0.715 1.737) 2.104 7.718 ( -5.019 -2.711 11.841) 13.143 7.718 ( -5.019 2.711 11.841) 13.143 7.985 ( -4.154 -1.815 5.453) 7.091 7.985 ( -4.154 1.815 5.453) 7.091 9.410 ( 0.814 -1.111 0.611) 1.507 9.410 ( 0.814 1.111 0.611) 1.507 9.877 ( 2.135 -1.114 -4.952) 5.507 9.877 ( 2.135 1.114 -4.952) 5.507 11.421 ( 1.151 -0.854 -1.222) 1.883 11.421 ( 1.151 0.854 -1.222) 1.883 11.622 ( 2.017 -0.213 -7.365) 7.639 11.622 ( 2.017 0.213 -7.365) 7.639 14.276 ( -1.314 -0.316 3.057) 3.342 14.276 ( -1.314 0.316 3.057) 3.342 14.541 ( 1.274 -0.360 -2.637) 2.951 14.541 ( 1.274 0.360 -2.637) 2.951 18.742 ( -1.774 -0.961 2.489) 3.204 18.742 ( -1.774 0.961 2.489) 3.204 18.908 ( 0.117 -0.835 -0.724) 1.112 18.908 ( 0.117 0.835 -0.724) 1.112 20.135 ( -4.854 -1.313 13.719) 14.611 20.135 ( -4.854 1.313 13.719) 14.611 20.461 ( -0.416 -1.142 3.682) 3.877 20.461 ( -0.416 1.142 3.682) 3.877 22.003 ( -0.105 -1.883 -1.942) 2.707 22.003 ( -0.105 1.883 -1.942) 2.707 22.174 ( 0.962 -1.784 -5.308) 5.681 22.174 ( 0.962 1.784 -5.308) 5.681 ======================= Grid point 151 (85/126) ======================= q-point: (-0.38 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.214 -2.460 1.500) 2.889 0.679 ( 0.214 2.460 1.500) 2.889 0.809 ( -1.564 -1.014 2.017) 2.746 0.809 ( -1.564 1.014 2.017) 2.746 0.926 ( -3.059 -2.557 -4.362) 5.910 0.926 ( -3.059 2.557 -4.362) 5.910 1.045 ( 1.331 -2.339 -1.027) 2.881 1.045 ( 1.331 2.339 -1.027) 2.881 1.150 ( 1.379 -1.254 4.409) 4.787 1.150 ( 1.379 1.254 4.409) 4.787 1.346 ( -2.004 -1.627 -2.442) 3.553 1.346 ( -2.004 1.627 -2.442) 3.553 2.097 ( -0.021 -4.747 3.116) 5.679 2.097 ( -0.021 4.747 3.116) 5.679 2.285 ( -5.367 -5.606 2.259) 8.083 2.285 ( -5.367 5.606 2.259) 8.083 2.677 ( -3.866 -1.497 9.726) 10.573 2.677 ( -3.866 1.497 9.726) 10.573 3.026 ( -4.321 -3.201 2.533) 5.945 3.026 ( -4.321 3.201 2.533) 5.945 3.667 ( -0.391 -2.279 -6.614) 7.006 3.667 ( -0.391 2.279 -6.614) 7.006 4.196 ( -1.069 -0.926 6.593) 6.743 4.196 ( -1.069 0.926 6.593) 6.743 4.819 ( -5.405 -0.426 6.335) 8.338 4.819 ( -5.405 0.426 6.335) 8.338 6.555 ( 6.028 -1.533 -11.627) 13.186 6.555 ( 6.028 1.533 -11.627) 13.186 7.143 ( -4.187 -0.480 3.483) 5.468 7.143 ( -4.187 0.480 3.483) 5.468 7.269 ( -1.614 -0.823 1.678) 2.469 7.269 ( -1.614 0.823 1.678) 2.469 7.728 ( -4.861 -2.919 12.207) 13.459 7.728 ( -4.861 2.919 12.207) 13.459 7.952 ( -3.932 -2.446 5.093) 6.883 7.952 ( -3.932 2.446 5.093) 6.883 9.425 ( 0.312 -0.864 0.291) 0.964 9.425 ( 0.312 0.864 0.291) 0.964 9.871 ( 1.713 -1.171 -4.752) 5.185 9.871 ( 1.713 1.171 -4.752) 5.185 11.443 ( 2.245 -0.956 -1.312) 2.770 11.443 ( 2.245 0.956 -1.312) 2.770 11.607 ( 3.112 -0.155 -7.284) 7.923 11.607 ( 3.112 0.155 -7.284) 7.923 14.276 ( -1.514 -0.317 3.040) 3.411 14.276 ( -1.514 0.317 3.040) 3.411 14.540 ( 1.078 -0.378 -2.725) 2.955 14.540 ( 1.078 0.378 -2.725) 2.955 18.731 ( -1.638 -0.916 2.693) 3.282 18.731 ( -1.638 0.916 2.693) 3.282 18.917 ( 1.375 -1.190 -0.592) 1.913 18.917 ( 1.375 1.190 -0.592) 1.913 20.140 ( -6.160 -2.883 11.809) 13.627 20.140 ( -6.160 2.883 11.809) 13.627 20.494 ( 0.530 -1.165 3.731) 3.944 20.494 ( 0.530 1.165 3.731) 3.944 21.998 ( 0.668 -0.766 -0.221) 1.041 21.998 ( 0.668 0.766 -0.221) 1.041 22.162 ( 2.368 -0.914 -4.824) 5.451 22.162 ( 2.368 0.914 -4.824) 5.451 ======================= Grid point 153 (86/126) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.241 -3.198 -1.491) 3.740 0.674 ( -1.241 3.198 -1.491) 3.740 0.796 ( -2.346 -2.029 2.825) 4.196 0.796 ( -2.346 2.029 2.825) 4.196 0.860 ( -0.433 -1.514 -1.263) 2.019 0.860 ( -0.433 1.514 -1.263) 2.019 1.040 ( -0.870 -2.802 -1.246) 3.188 1.040 ( -0.870 2.802 -1.246) 3.188 1.191 ( -1.288 -0.826 2.073) 2.577 1.191 ( -1.288 0.826 2.073) 2.577 1.288 ( -1.461 -2.379 -0.523) 2.841 1.288 ( -1.461 2.379 -0.523) 2.841 2.068 ( -5.279 -5.193 -1.711) 7.600 2.068 ( -5.279 5.193 -1.711) 7.600 2.179 ( -6.925 -3.810 4.221) 8.960 2.179 ( -6.925 3.810 4.221) 8.960 2.694 ( -3.793 -2.627 10.819) 11.762 2.694 ( -3.793 2.627 10.819) 11.762 2.986 ( -2.387 -1.756 3.268) 4.412 2.986 ( -2.387 1.756 3.268) 4.412 3.585 ( -1.756 -2.456 -7.327) 7.925 3.585 ( -1.756 2.456 -7.327) 7.925 4.231 ( -0.676 -0.942 5.254) 5.381 4.231 ( -0.676 0.942 5.254) 5.381 4.794 ( -3.739 -1.301 8.153) 9.064 4.794 ( -3.739 1.301 8.153) 9.064 6.545 ( 3.635 -1.895 -11.812) 12.503 6.545 ( 3.635 1.895 -11.812) 12.503 7.081 ( -5.341 -0.539 3.441) 6.376 7.081 ( -5.341 0.539 3.441) 6.376 7.251 ( -1.402 -0.825 0.660) 1.756 7.251 ( -1.402 0.825 0.660) 1.756 7.739 ( -5.202 -2.437 12.793) 14.023 7.739 ( -5.202 2.437 12.793) 14.023 7.934 ( -2.938 -2.869 5.954) 7.233 7.934 ( -2.938 2.869 5.954) 7.233 9.425 ( -0.249 -0.701 -0.451) 0.870 9.425 ( -0.249 0.701 -0.451) 0.870 9.863 ( 1.751 -0.948 -4.844) 5.237 9.863 ( 1.751 0.948 -4.844) 5.237 11.476 ( 2.272 -1.073 -1.294) 2.826 11.476 ( 2.272 1.073 -1.294) 2.826 11.616 ( 4.108 -0.252 -6.728) 7.887 11.616 ( 4.108 0.252 -6.728) 7.887 14.272 ( -1.647 -0.264 3.043) 3.470 14.272 ( -1.647 0.264 3.043) 3.470 14.536 ( 0.973 -0.367 -2.814) 3.000 14.536 ( 0.973 0.367 -2.814) 3.000 18.727 ( -1.440 -1.066 3.162) 3.634 18.727 ( -1.440 1.066 3.162) 3.634 18.943 ( 1.955 -1.370 -0.831) 2.528 18.943 ( 1.955 1.370 -0.831) 2.528 20.105 ( -7.756 -4.068 10.790) 13.897 20.105 ( -7.756 4.068 10.790) 13.897 20.533 ( 0.439 -1.469 3.128) 3.483 20.533 ( 0.439 1.469 3.128) 3.483 22.024 ( 1.782 -0.806 0.729) 2.087 22.024 ( 1.782 0.806 0.729) 2.087 22.180 ( 3.496 -1.247 -3.719) 5.255 22.180 ( 3.496 1.247 -3.719) 5.255 ======================= Grid point 155 (87/126) ======================= q-point: (-0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -2.341 -2.684 -0.150) 3.565 0.626 ( -2.341 2.684 -0.150) 3.565 0.762 ( -3.064 -3.770 1.398) 5.055 0.762 ( -3.064 3.770 1.398) 5.055 0.886 ( 2.328 -0.136 0.273) 2.348 0.886 ( 2.328 0.136 0.273) 2.348 0.983 ( -3.531 -1.859 -1.374) 4.220 0.983 ( -3.531 1.859 -1.374) 4.220 1.162 ( -0.940 -1.368 0.277) 1.682 1.162 ( -0.940 1.368 0.277) 1.682 1.289 ( 0.178 -3.116 0.466) 3.156 1.289 ( 0.178 3.116 0.466) 3.156 1.913 ( -7.563 -4.694 -0.417) 8.912 1.913 ( -7.563 4.694 -0.417) 8.912 2.123 ( -3.252 -7.715 2.056) 8.621 2.123 ( -3.252 7.715 2.056) 8.621 2.704 ( -4.371 -3.510 9.134) 10.717 2.704 ( -4.371 3.510 9.134) 10.717 2.988 ( -1.379 -1.974 4.750) 5.326 2.988 ( -1.379 1.974 4.750) 5.326 3.501 ( -0.632 -3.301 -6.571) 7.381 3.501 ( -0.632 3.301 -6.571) 7.381 4.250 ( -1.265 -0.535 3.264) 3.541 4.250 ( -1.265 0.535 3.264) 3.541 4.817 ( -1.695 -2.512 9.110) 9.601 4.817 ( -1.695 2.512 9.110) 9.601 6.500 ( 2.352 -2.000 -11.914) 12.308 6.500 ( 2.352 2.000 -11.914) 12.308 7.020 ( -4.317 -0.771 4.047) 5.968 7.020 ( -4.317 0.771 4.047) 5.968 7.229 ( -0.820 -0.613 -0.741) 1.264 7.229 ( -0.820 0.613 -0.741) 1.264 7.751 ( -5.317 -1.930 13.611) 14.740 7.751 ( -5.317 1.930 13.611) 14.740 7.942 ( -2.210 -2.840 7.048) 7.914 7.942 ( -2.210 2.840 7.048) 7.914 9.411 ( -0.496 -0.680 -1.086) 1.374 9.411 ( -0.496 0.680 -1.086) 1.374 9.857 ( 2.198 -0.834 -5.226) 5.730 9.857 ( 2.198 0.834 -5.226) 5.730 11.499 ( 1.263 -1.214 -1.068) 2.052 11.499 ( 1.263 1.214 -1.068) 2.052 11.642 ( 4.402 -0.374 -6.161) 7.581 11.642 ( 4.402 0.374 -6.161) 7.581 14.267 ( -1.611 -0.166 3.069) 3.470 14.267 ( -1.611 0.166 3.069) 3.470 14.530 ( 1.017 -0.327 -2.853) 3.046 14.530 ( 1.017 0.327 -2.853) 3.046 18.731 ( -1.229 -1.243 3.634) 4.033 18.731 ( -1.229 1.243 3.634) 4.033 18.968 ( 1.555 -1.174 -1.229) 2.303 18.968 ( 1.555 1.174 -1.229) 2.303 20.044 ( -8.588 -3.863 11.663) 14.990 20.044 ( -8.588 3.863 11.663) 14.990 20.555 ( -0.685 -1.761 2.458) 3.100 20.555 ( -0.685 1.761 2.458) 3.100 22.065 ( 2.232 -1.930 -0.431) 2.982 22.065 ( 2.232 1.930 -0.431) 2.982 22.224 ( 3.752 -1.608 -2.446) 4.759 22.224 ( 3.752 1.608 -2.446) 4.759 ======================= Grid point 165 (88/126) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.878 0.000 2.709) 2.847 0.673 ( -2.255 0.000 2.787) 3.585 0.762 ( -2.843 0.000 -0.877) 2.975 0.818 ( 1.688 0.000 2.426) 2.955 0.885 ( 2.373 0.000 -3.447) 4.185 0.892 ( -2.407 0.000 -0.315) 2.427 0.908 ( 0.079 0.000 -1.377) 1.379 0.949 ( -3.244 0.000 0.226) 3.251 1.128 ( -0.957 0.000 4.723) 4.819 1.195 ( -0.039 0.000 -1.719) 1.720 1.204 ( 4.298 0.000 -2.740) 5.097 1.287 ( 1.184 0.000 -3.077) 3.297 1.776 ( -2.870 0.000 4.477) 5.318 1.812 ( 0.937 0.000 -1.710) 1.950 2.022 ( -0.794 0.000 6.609) 6.657 2.219 ( 2.451 0.000 -4.528) 5.149 2.736 ( -3.290 0.000 0.450) 3.321 2.884 ( 1.745 0.000 -7.343) 7.547 2.966 ( -7.151 0.000 5.672) 9.128 3.036 ( 3.336 0.000 2.203) 3.997 3.428 ( -3.654 0.000 11.265) 11.843 3.620 ( -1.471 0.000 6.622) 6.784 4.032 ( 6.007 0.000 -15.471) 16.597 4.110 ( 5.706 0.000 -13.062) 14.254 5.203 ( -11.582 0.000 25.790) 28.272 5.294 ( -8.827 0.000 24.304) 25.858 6.095 ( 7.333 0.000 -18.938) 20.308 6.178 ( 5.948 0.000 -19.374) 20.266 7.082 ( -1.259 0.000 4.337) 4.516 7.120 ( 0.068 0.000 4.033) 4.033 7.172 ( 0.224 0.000 -1.143) 1.165 7.208 ( -1.108 0.000 -0.278) 1.142 7.989 ( -4.441 0.000 9.862) 10.816 8.021 ( 0.892 0.000 6.348) 6.410 8.054 ( -6.063 0.000 8.987) 10.841 8.125 ( -0.761 0.000 4.038) 4.109 9.370 ( -2.694 0.000 3.083) 4.094 9.441 ( -1.715 0.000 3.471) 3.871 9.674 ( 3.864 0.000 -9.315) 10.085 9.743 ( 4.397 0.000 -9.270) 10.260 11.474 ( -0.862 0.000 0.960) 1.291 11.521 ( -0.619 0.000 -0.460) 0.771 11.566 ( 2.884 0.000 -3.401) 4.459 11.577 ( 3.297 0.000 -4.502) 5.581 14.326 ( -1.752 0.000 3.613) 4.015 14.332 ( -1.604 0.000 3.561) 3.905 14.462 ( 1.532 0.000 -3.245) 3.589 14.472 ( 1.525 0.000 -3.522) 3.838 18.787 ( -1.528 0.000 4.319) 4.581 18.848 ( -0.929 0.000 3.682) 3.797 18.918 ( 1.052 0.000 -2.435) 2.653 18.964 ( 0.792 0.000 -2.196) 2.335 20.214 ( -4.248 0.000 13.399) 14.056 20.305 ( -5.322 0.000 10.674) 11.927 20.503 ( -0.951 0.000 -1.378) 1.675 20.598 ( -0.461 0.000 -2.612) 2.652 22.007 ( -0.093 0.000 -1.496) 1.499 22.028 ( 1.828 0.000 -3.800) 4.217 22.244 ( 1.015 0.000 -1.125) 1.515 22.262 ( 2.108 0.000 -2.266) 3.095 ======================= Grid point 166 (89/126) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.705 0.000 2.971) 3.053 0.690 ( 1.854 0.000 -0.131) 1.859 0.717 ( -1.420 0.000 1.939) 2.404 0.851 ( 0.485 0.000 0.646) 0.808 0.862 ( -0.468 0.000 -1.635) 1.701 0.905 ( 0.359 0.000 0.994) 1.057 0.928 ( 2.053 0.000 -1.533) 2.562 0.944 ( 3.264 0.000 3.011) 4.440 1.140 ( -0.906 0.000 1.728) 1.951 1.197 ( 0.523 0.000 1.461) 1.552 1.220 ( 1.234 0.000 -5.534) 5.670 1.296 ( 2.733 0.000 -3.915) 4.775 1.795 ( 1.223 0.000 4.038) 4.220 1.881 ( 7.259 0.000 -0.823) 7.306 2.121 ( 5.906 0.000 3.239) 6.736 2.244 ( 3.040 0.000 -2.173) 3.736 2.713 ( -0.934 0.000 2.944) 3.088 2.869 ( 2.882 0.000 -6.046) 6.698 2.879 ( -6.381 0.000 4.679) 7.913 3.118 ( 3.002 0.000 3.213) 4.397 3.472 ( -1.704 0.000 10.356) 10.496 3.654 ( -0.657 0.000 6.202) 6.237 4.015 ( 6.012 0.000 -15.031) 16.189 4.100 ( 4.997 0.000 -12.844) 13.782 5.209 ( -10.901 0.000 25.139) 27.400 5.331 ( -9.058 0.000 23.732) 25.402 6.086 ( 8.511 0.000 -18.018) 19.927 6.144 ( 7.714 0.000 -18.611) 20.146 7.119 ( 1.066 0.000 4.428) 4.555 7.173 ( 1.946 0.000 3.629) 4.118 7.184 ( 2.184 0.000 -1.408) 2.599 7.197 ( 0.357 0.000 -0.590) 0.690 7.966 ( -6.038 0.000 7.283) 9.460 8.014 ( -5.925 0.000 9.447) 11.151 8.075 ( -0.618 0.000 5.109) 5.146 8.143 ( -1.200 0.000 4.756) 4.905 9.357 ( -1.814 0.000 4.150) 4.530 9.443 ( -1.309 0.000 3.666) 3.893 9.679 ( 4.802 0.000 -8.753) 9.984 9.746 ( 4.485 0.000 -9.456) 10.465 11.456 ( -1.762 0.000 0.777) 1.925 11.493 ( -1.716 0.000 -0.683) 1.847 11.576 ( 1.570 0.000 -4.063) 4.356 11.587 ( 1.823 0.000 -4.693) 5.034 14.325 ( -1.581 0.000 3.594) 3.926 14.334 ( -1.372 0.000 3.577) 3.831 14.465 ( 1.643 0.000 -3.189) 3.587 14.474 ( 1.820 0.000 -3.450) 3.900 18.792 ( -1.694 0.000 3.942) 4.291 18.856 ( -1.431 0.000 3.317) 3.613 18.912 ( 0.463 0.000 -2.413) 2.457 18.954 ( 0.078 0.000 -2.317) 2.319 20.260 ( -3.320 0.000 13.970) 14.359 20.313 ( -4.516 0.000 12.420) 13.215 20.471 ( -1.055 0.000 -1.554) 1.878 20.562 ( -0.946 0.000 -2.685) 2.846 21.985 ( -0.772 0.000 -1.676) 1.845 22.029 ( 1.381 0.000 -3.172) 3.460 22.225 ( -1.515 0.000 -2.055) 2.553 22.262 ( 0.287 0.000 -3.048) 3.061 ======================= Grid point 167 (90/126) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.441 0.000 3.008) 3.040 0.687 ( 0.357 0.000 -1.408) 1.452 0.775 ( 3.334 0.000 2.709) 4.296 0.853 ( 0.817 0.000 -1.312) 1.545 0.862 ( 0.307 0.000 0.232) 0.385 0.919 ( -0.150 0.000 2.087) 2.092 0.957 ( 1.533 0.000 -0.936) 1.796 1.044 ( 2.621 0.000 5.728) 6.299 1.148 ( 0.624 0.000 1.486) 1.611 1.191 ( 1.707 0.000 -6.463) 6.685 1.220 ( 0.055 0.000 2.233) 2.234 1.301 ( 1.869 0.000 -5.019) 5.355 1.880 ( 3.625 0.000 4.976) 6.156 2.036 ( 9.172 0.000 -0.241) 9.175 2.245 ( 6.463 0.000 -2.683) 6.998 2.273 ( -0.871 0.000 2.419) 2.571 2.742 ( 0.802 0.000 4.047) 4.126 2.832 ( -3.268 0.000 6.471) 7.249 2.893 ( 3.783 0.000 -3.499) 5.153 3.192 ( 2.067 0.000 2.853) 3.523 3.526 ( -0.602 0.000 7.376) 7.400 3.697 ( 0.419 0.000 4.445) 4.465 4.009 ( 6.612 0.000 -14.073) 15.549 4.084 ( 5.102 0.000 -13.207) 14.158 5.215 ( -11.401 0.000 25.441) 27.879 5.351 ( -10.621 0.000 24.400) 26.612 6.107 ( 9.655 0.000 -17.546) 20.027 6.155 ( 10.057 0.000 -18.189) 20.784 7.183 ( 1.670 0.000 4.092) 4.420 7.209 ( 1.192 0.000 -0.346) 1.241 7.224 ( 3.014 0.000 -0.984) 3.170 7.239 ( 2.049 0.000 2.809) 3.477 7.903 ( -6.367 0.000 6.156) 8.857 7.996 ( -4.701 0.000 9.460) 10.564 8.076 ( -2.691 0.000 2.880) 3.942 8.158 ( -1.816 0.000 5.092) 5.406 9.374 ( -0.795 0.000 5.447) 5.504 9.452 ( -1.123 0.000 3.815) 3.977 9.699 ( 4.921 0.000 -8.400) 9.735 9.753 ( 4.635 0.000 -8.945) 10.074 11.426 ( -1.876 0.000 0.326) 1.904 11.454 ( -1.635 0.000 -0.818) 1.828 11.558 ( 0.635 0.000 -4.967) 5.007 11.567 ( 0.395 0.000 -4.910) 4.926 14.327 ( -1.455 0.000 3.582) 3.866 14.340 ( -1.268 0.000 3.618) 3.834 14.469 ( 1.695 0.000 -3.201) 3.622 14.480 ( 1.939 0.000 -3.396) 3.911 18.790 ( -1.901 0.000 3.507) 3.989 18.850 ( -2.001 0.000 2.752) 3.403 18.897 ( 0.080 0.000 -2.082) 2.083 18.930 ( -0.395 0.000 -2.444) 2.476 20.317 ( -2.729 0.000 12.539) 12.832 20.336 ( -4.400 0.000 12.700) 13.441 20.445 ( -0.373 0.000 -1.164) 1.223 20.528 ( -0.616 0.000 -1.462) 1.587 21.957 ( -0.817 0.000 -1.191) 1.444 22.028 ( 1.245 0.000 -2.702) 2.975 22.163 ( -2.967 0.000 -2.171) 3.676 22.224 ( -1.041 0.000 -4.081) 4.212 ======================= Grid point 168 (91/126) ======================= q-point: (-0.62 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.329 0.000 2.623) 2.644 0.692 ( 1.178 0.000 -1.163) 1.656 0.850 ( 2.302 0.000 -0.572) 2.372 0.861 ( -0.419 0.000 -0.209) 0.468 0.881 ( 3.214 0.000 2.274) 3.937 0.924 ( -0.309 0.000 -0.611) 0.685 0.971 ( -0.438 0.000 2.577) 2.614 1.091 ( -0.832 0.000 0.565) 1.006 1.175 ( 0.391 0.000 1.528) 1.577 1.203 ( 2.948 0.000 -0.771) 3.048 1.241 ( 0.201 0.000 2.852) 2.859 1.290 ( 1.886 0.000 -5.383) 5.704 1.997 ( 4.278 0.000 4.814) 6.440 2.181 ( 5.474 0.000 0.114) 5.475 2.230 ( -7.404 0.000 5.885) 9.458 2.310 ( 6.005 0.000 -7.083) 9.286 2.809 ( 2.216 0.000 5.026) 5.493 2.860 ( -1.640 0.000 9.847) 9.983 2.927 ( 1.476 0.000 -1.653) 2.217 3.231 ( 0.190 0.000 0.907) 0.927 3.565 ( -0.477 0.000 4.013) 4.041 3.737 ( 0.519 0.000 2.526) 2.579 4.021 ( 6.400 0.000 -12.595) 14.128 4.073 ( 6.348 0.000 -14.500) 15.829 5.212 ( -12.422 0.000 26.808) 29.546 5.344 ( -12.891 0.000 25.971) 28.995 6.146 ( 10.482 0.000 -17.960) 20.795 6.203 ( 11.318 0.000 -18.225) 21.453 7.231 ( 1.039 0.000 0.429) 1.124 7.234 ( 0.304 0.000 3.297) 3.311 7.271 ( 2.355 0.000 -0.042) 2.355 7.283 ( 0.205 0.000 2.173) 2.183 7.851 ( -4.810 0.000 6.747) 8.286 7.999 ( -3.489 0.000 9.243) 9.879 8.033 ( -3.792 0.000 1.510) 4.081 8.155 ( -2.770 0.000 4.168) 5.005 9.411 ( -0.615 0.000 5.904) 5.936 9.465 ( -1.070 0.000 4.022) 4.162 9.714 ( 4.204 0.000 -8.308) 9.311 9.769 ( 4.680 0.000 -8.131) 9.382 11.399 ( -0.957 0.000 -0.042) 0.958 11.427 ( -0.411 0.000 -0.827) 0.923 11.521 ( 0.366 0.000 -5.933) 5.945 11.528 ( 0.033 0.000 -4.728) 4.728 14.330 ( -1.454 0.000 3.597) 3.880 14.347 ( -1.341 0.000 3.633) 3.873 14.473 ( 1.621 0.000 -3.269) 3.648 14.487 ( 1.847 0.000 -3.396) 3.866 18.782 ( -1.929 0.000 3.254) 3.783 18.831 ( -2.254 0.000 2.313) 3.229 18.882 ( -0.079 0.000 -1.489) 1.491 18.905 ( 0.135 0.000 -2.474) 2.478 20.340 ( -4.574 0.000 9.629) 10.660 20.375 ( -2.921 0.000 11.980) 12.331 20.440 ( 0.602 0.000 -0.532) 0.804 20.520 ( 0.243 0.000 0.379) 0.450 21.942 ( -0.071 0.000 -0.101) 0.123 22.033 ( 1.716 0.000 -2.377) 2.932 22.090 ( -3.049 0.000 -1.629) 3.456 22.163 ( -1.247 0.000 -5.028) 5.180 ======================= Grid point 169 (92/126) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -1.568 0.000 1.424) 2.118 0.708 ( 1.433 0.000 -0.881) 1.682 0.846 ( -1.536 0.000 0.408) 1.590 0.871 ( 0.622 0.000 0.368) 0.723 0.902 ( -1.152 0.000 0.026) 1.152 0.963 ( 3.305 0.000 -1.720) 3.726 0.982 ( -0.933 0.000 2.749) 2.903 1.061 ( -0.453 0.000 -0.841) 0.956 1.181 ( -0.656 0.000 0.954) 1.158 1.242 ( 0.760 0.000 -0.249) 0.799 1.275 ( 0.622 0.000 2.693) 2.764 1.288 ( 1.688 0.000 -2.463) 2.986 2.080 ( -3.282 0.000 3.027) 4.465 2.143 ( -3.477 0.000 7.783) 8.524 2.202 ( -1.454 0.000 -2.293) 2.715 2.383 ( 6.525 0.000 -5.030) 8.238 2.889 ( 0.659 0.000 6.868) 6.900 2.903 ( -2.567 0.000 -1.517) 2.982 2.920 ( -1.654 0.000 11.452) 11.571 3.210 ( -2.287 0.000 -1.162) 2.566 3.571 ( -1.659 0.000 2.116) 2.688 3.746 ( -1.414 0.000 1.048) 1.760 4.025 ( 5.647 0.000 -12.769) 13.962 4.081 ( 7.448 0.000 -14.634) 16.420 5.207 ( -12.975 0.000 28.229) 31.068 5.311 ( -14.746 0.000 27.721) 31.399 6.184 ( 10.174 0.000 -19.140) 21.676 6.258 ( 11.063 0.000 -18.640) 21.676 7.242 ( -2.057 0.000 2.416) 3.173 7.249 ( 0.061 0.000 1.270) 1.272 7.279 ( -2.493 0.000 2.046) 3.225 7.303 ( 0.688 0.000 0.848) 1.092 7.842 ( -2.922 0.000 8.243) 8.746 7.971 ( -3.832 0.000 0.994) 3.959 8.019 ( -2.817 0.000 9.368) 9.782 8.130 ( -3.089 0.000 3.341) 4.551 9.438 ( -1.455 0.000 4.894) 5.105 9.479 ( -1.309 0.000 4.460) 4.648 9.718 ( 3.634 0.000 -7.959) 8.750 9.782 ( 3.849 0.000 -8.073) 8.944 11.395 ( 0.551 0.000 -0.078) 0.557 11.428 ( 1.205 0.000 -0.730) 1.409 11.483 ( 1.039 0.000 -5.721) 5.814 11.496 ( 0.970 0.000 -4.896) 4.991 14.333 ( -1.568 0.000 3.635) 3.958 14.350 ( -1.567 0.000 3.598) 3.925 14.474 ( 1.455 0.000 -3.355) 3.657 14.491 ( 1.610 0.000 -3.444) 3.802 18.775 ( -1.825 0.000 3.382) 3.843 18.811 ( -1.843 0.000 2.204) 2.873 18.872 ( 0.228 0.000 -1.118) 1.141 18.901 ( 1.545 0.000 -2.307) 2.777 20.319 ( -5.772 0.000 8.299) 10.109 20.411 ( -2.786 0.000 8.943) 9.367 20.457 ( 1.322 0.000 0.257) 1.347 20.540 ( 1.043 0.000 1.410) 1.754 21.958 ( 1.357 0.000 1.404) 1.953 22.032 ( -2.013 0.000 -0.767) 2.154 22.052 ( 2.331 0.000 -2.350) 3.310 22.105 ( -0.023 0.000 -5.310) 5.310 ======================= Grid point 170 (93/126) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -2.251 0.000 1.425) 2.665 0.727 ( 1.392 0.000 -0.716) 1.565 0.802 ( -3.272 0.000 0.795) 3.367 0.874 ( -1.572 0.000 1.476) 2.156 0.900 ( -0.454 0.000 1.859) 1.913 0.939 ( -0.544 0.000 -4.948) 4.978 0.982 ( -1.066 0.000 2.061) 2.320 1.100 ( 2.987 0.000 -0.177) 2.993 1.174 ( -0.815 0.000 0.952) 1.253 1.220 ( -1.467 0.000 -2.660) 3.038 1.291 ( -0.545 0.000 0.174) 0.573 1.301 ( 0.244 0.000 0.020) 0.245 1.970 ( -9.910 0.000 8.022) 12.751 2.120 ( -4.980 0.000 -2.397) 5.527 2.202 ( 2.145 0.000 1.748) 2.767 2.407 ( -2.615 0.000 -1.304) 2.922 2.838 ( -0.780 0.000 -3.286) 3.377 2.932 ( -2.200 0.000 6.277) 6.651 2.983 ( -2.175 0.000 11.768) 11.967 3.136 ( -3.935 0.000 -2.141) 4.480 3.541 ( -3.822 0.000 3.056) 4.893 3.701 ( -3.838 0.000 0.237) 3.845 4.026 ( 6.532 0.000 -13.681) 15.160 4.094 ( 6.924 0.000 -14.282) 15.871 5.208 ( -12.402 0.000 28.463) 31.048 5.269 ( -15.226 0.000 28.796) 32.573 6.194 ( 8.646 0.000 -20.260) 22.028 6.291 ( 9.529 0.000 -19.321) 21.543 7.203 ( -4.062 0.000 2.219) 4.628 7.230 ( -4.543 0.000 2.271) 5.079 7.250 ( -1.228 0.000 1.475) 1.919 7.308 ( -1.155 0.000 1.154) 1.633 7.875 ( -1.877 0.000 9.894) 10.070 7.920 ( -2.687 0.000 1.820) 3.245 8.046 ( -3.081 0.000 9.864) 10.334 8.104 ( -2.502 0.000 3.062) 3.954 9.440 ( -2.104 0.000 3.810) 4.352 9.483 ( -2.252 0.000 4.173) 4.742 9.717 ( 3.401 0.000 -7.790) 8.500 9.773 ( 2.816 0.000 -8.625) 9.073 11.416 ( 1.558 0.000 0.126) 1.563 11.456 ( 2.253 0.000 -0.527) 2.314 11.471 ( 2.508 0.000 -4.984) 5.579 11.487 ( 2.488 0.000 -4.730) 5.344 14.333 ( -1.721 0.000 3.673) 4.056 14.349 ( -1.837 0.000 3.543) 3.991 14.471 ( 1.312 0.000 -3.410) 3.654 14.489 ( 1.354 0.000 -3.514) 3.766 18.771 ( -1.828 0.000 3.785) 4.203 18.804 ( -0.992 0.000 2.535) 2.722 18.876 ( 1.208 0.000 -1.117) 1.645 18.919 ( 2.403 0.000 -2.269) 3.305 20.271 ( -6.540 0.000 8.043) 10.366 20.416 ( -3.518 0.000 6.115) 7.054 20.488 ( 1.434 0.000 0.706) 1.598 20.575 ( 1.448 0.000 1.125) 1.834 22.005 ( -0.304 0.000 -0.265) 0.403 22.018 ( 2.985 0.000 2.787) 4.084 22.049 ( 0.916 0.000 -5.047) 5.130 22.110 ( 3.653 0.000 -2.377) 4.359 ======================= Grid point 171 (94/126) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -1.309 0.000 2.210) 2.569 0.741 ( 0.322 0.000 -0.969) 1.021 0.762 ( -2.156 0.000 2.475) 3.282 0.844 ( -1.816 0.000 1.502) 2.357 0.896 ( -0.596 0.000 -0.459) 0.752 0.907 ( -0.114 0.000 -1.874) 1.877 0.986 ( -1.012 0.000 3.649) 3.786 1.100 ( -1.704 0.000 -5.580) 5.834 1.166 ( -1.259 0.000 1.271) 1.790 1.174 ( -1.778 0.000 1.105) 2.093 1.255 ( -1.899 0.000 -2.681) 3.286 1.295 ( -0.035 0.000 -1.220) 1.221 1.876 ( -8.217 0.000 9.309) 12.417 1.992 ( -6.889 0.000 -1.228) 6.998 2.231 ( 1.335 0.000 -2.166) 2.544 2.258 ( -12.677 0.000 2.796) 12.982 2.849 ( 5.039 0.000 -4.971) 7.078 2.906 ( -4.757 0.000 2.857) 5.548 3.027 ( -3.480 0.000 10.954) 11.494 3.044 ( -3.673 0.000 -2.336) 4.353 3.487 ( -6.192 0.000 6.286) 8.824 3.631 ( -3.697 0.000 1.340) 3.932 4.037 ( 7.264 0.000 -14.496) 16.215 4.100 ( 6.645 0.000 -13.970) 15.470 5.223 ( -11.128 0.000 26.602) 28.835 5.235 ( -14.328 0.000 29.194) 32.520 6.169 ( 7.204 0.000 -20.480) 21.710 6.283 ( 7.349 0.000 -19.965) 21.275 7.142 ( -4.650 0.000 3.196) 5.643 7.161 ( -4.833 0.000 2.534) 5.457 7.228 ( -2.125 0.000 0.797) 2.269 7.282 ( -2.395 0.000 0.808) 2.527 7.911 ( -0.728 0.000 3.763) 3.833 7.928 ( -2.030 0.000 10.881) 11.068 8.067 ( -3.781 0.000 10.365) 11.033 8.094 ( -1.394 0.000 3.272) 3.556 9.426 ( -2.576 0.000 3.098) 4.029 9.468 ( -2.734 0.000 3.612) 4.530 9.711 ( 3.115 0.000 -8.344) 8.906 9.749 ( 2.896 0.000 -9.010) 9.464 11.447 ( 1.429 0.000 0.476) 1.506 11.491 ( 3.698 0.000 -4.117) 5.533 11.495 ( 2.119 0.000 -0.365) 2.150 11.508 ( 3.757 0.000 -4.402) 5.788 14.331 ( -1.799 0.000 3.689) 4.104 14.342 ( -2.002 0.000 3.518) 4.047 14.466 ( 1.285 0.000 -3.403) 3.638 14.483 ( 1.213 0.000 -3.565) 3.766 18.772 ( -1.680 0.000 4.190) 4.514 18.814 ( -0.574 0.000 3.154) 3.206 18.894 ( 1.805 0.000 -1.464) 2.325 18.945 ( 2.314 0.000 -2.380) 3.320 20.222 ( -6.419 0.000 9.346) 11.339 20.384 ( -5.012 0.000 5.311) 7.303 20.515 ( 0.872 0.000 0.372) 0.948 20.606 ( 1.263 0.000 -0.069) 1.265 22.005 ( 0.511 0.000 -0.280) 0.583 22.030 ( 1.717 0.000 -5.035) 5.320 22.113 ( 4.436 0.000 2.484) 5.084 22.167 ( 4.215 0.000 -1.864) 4.609 ======================= Grid point 172 (95/126) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -1.010 0.000 2.422) 2.624 0.712 ( -2.954 0.000 0.983) 3.114 0.771 ( 0.491 0.000 3.031) 3.070 0.821 ( -2.221 0.000 -0.943) 2.413 0.882 ( 0.763 0.000 -2.705) 2.811 0.909 ( 1.001 0.000 -0.149) 1.012 0.985 ( -5.346 0.000 -3.363) 6.316 0.993 ( -2.361 0.000 3.816) 4.487 1.135 ( -2.691 0.000 0.985) 2.866 1.161 ( 0.751 0.000 -0.701) 1.028 1.212 ( -0.213 0.000 -2.027) 2.038 1.289 ( 0.794 0.000 -1.913) 2.071 1.814 ( -6.182 0.000 7.266) 9.540 1.868 ( -4.898 0.000 -1.380) 5.089 2.068 ( -10.040 0.000 5.931) 11.661 2.225 ( 1.339 0.000 -4.467) 4.663 2.819 ( -5.308 0.000 -0.113) 5.309 2.901 ( 4.470 0.000 -6.954) 8.267 2.985 ( -0.489 0.000 0.139) 0.508 3.027 ( -5.571 0.000 8.495) 10.159 3.432 ( -6.159 0.000 9.265) 11.125 3.604 ( -2.157 0.000 4.794) 5.256 4.044 ( 6.791 0.000 -15.351) 16.786 4.107 ( 6.456 0.000 -13.388) 14.864 5.210 ( -12.918 0.000 26.797) 29.748 5.256 ( -9.807 0.000 25.971) 27.761 6.128 ( 6.755 0.000 -19.881) 20.997 6.236 ( 5.828 0.000 -19.999) 20.831 7.094 ( -3.748 0.000 4.165) 5.603 7.112 ( -2.671 0.000 3.289) 4.237 7.193 ( -1.651 0.000 -0.281) 1.675 7.241 ( -2.337 0.000 0.246) 2.350 7.953 ( 0.790 0.000 5.629) 5.684 7.972 ( -3.129 0.000 10.844) 11.286 8.075 ( -4.767 0.000 9.994) 11.073 8.105 ( -0.654 0.000 3.665) 3.723 9.399 ( -2.923 0.000 2.766) 4.024 9.450 ( -2.313 0.000 3.386) 4.101 9.690 ( 2.910 0.000 -9.389) 9.830 9.740 ( 4.013 0.000 -8.864) 9.730 11.470 ( 0.401 0.000 0.818) 0.911 11.521 ( 0.946 0.000 -0.330) 1.002 11.531 ( 3.851 0.000 -3.472) 5.185 11.545 ( 4.036 0.000 -4.313) 5.907 14.328 ( -1.787 0.000 3.657) 4.070 14.335 ( -1.923 0.000 3.539) 4.028 14.463 ( 1.385 0.000 -3.338) 3.614 14.476 ( 1.273 0.000 -3.568) 3.788 18.778 ( -1.529 0.000 4.424) 4.681 18.832 ( -0.624 0.000 3.618) 3.672 18.912 ( 1.645 0.000 -2.048) 2.627 18.961 ( 1.566 0.000 -2.303) 2.785 20.199 ( -5.441 0.000 11.555) 12.772 20.333 ( -5.856 0.000 7.515) 9.527 20.522 ( -0.114 0.000 -0.551) 0.562 20.616 ( 0.488 0.000 -1.535) 1.611 22.012 ( 0.579 0.000 -0.861) 1.037 22.026 ( 2.064 0.000 -4.482) 4.934 22.203 ( 3.558 0.000 0.650) 3.617 22.225 ( 3.611 0.000 -1.877) 4.070 ======================= Grid point 173 (96/126) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.774 0.915 2.718) 2.971 0.687 ( -1.274 0.950 1.785) 2.390 0.717 ( -2.665 -2.599 1.586) 4.047 0.810 ( -0.559 -4.024 0.789) 4.139 0.852 ( -0.569 1.351 -0.094) 1.469 0.893 ( -0.158 -0.859 -1.747) 1.953 0.913 ( 2.143 0.924 -0.967) 2.527 0.968 ( -1.207 0.467 -0.662) 1.454 1.102 ( -1.245 -0.721 2.418) 2.814 1.172 ( -0.669 -1.921 -1.253) 2.389 1.220 ( 3.095 0.794 -3.148) 4.486 1.269 ( 0.407 -1.461 -4.238) 4.502 1.770 ( 0.629 2.183 2.083) 3.082 1.903 ( -1.104 2.887 -3.146) 4.410 2.011 ( -1.381 0.813 6.247) 6.449 2.193 ( 0.823 -2.577 -1.829) 3.266 2.742 ( -2.976 1.068 1.475) 3.489 2.861 ( -2.026 -2.612 -0.282) 3.317 2.982 ( -1.618 1.846 0.476) 2.500 3.040 ( 2.476 -0.029 0.376) 2.504 3.457 ( -3.177 2.591 11.026) 11.763 3.593 ( -1.685 -2.414 7.651) 8.198 4.050 ( 5.859 1.417 -15.094) 16.253 4.104 ( 5.656 -0.643 -13.481) 14.634 5.215 ( -11.181 1.100 25.598) 27.955 5.280 ( -9.222 -1.243 24.544) 26.249 6.108 ( 7.181 1.160 -19.152) 20.487 6.167 ( 6.206 -1.007 -19.423) 20.416 7.081 ( -1.157 -0.030 4.104) 4.264 7.104 ( -0.146 -1.050 3.520) 3.676 7.187 ( -0.081 0.999 -0.438) 1.094 7.209 ( -0.839 0.048 -0.231) 0.871 7.984 ( -3.343 0.058 9.646) 10.209 8.033 ( -5.291 -1.513 8.715) 10.307 8.049 ( -0.524 1.867 6.483) 6.767 8.118 ( -1.238 -0.780 4.377) 4.616 9.380 ( -2.578 0.918 3.178) 4.194 9.431 ( -1.884 -0.927 3.452) 4.041 9.685 ( 3.953 0.972 -9.334) 10.183 9.734 ( 4.327 -0.820 -9.297) 10.287 11.480 ( -0.747 0.550 0.757) 1.198 11.513 ( -0.510 -0.686 -0.257) 0.892 11.569 ( 2.840 0.229 -3.594) 4.586 11.577 ( 3.128 -0.049 -4.332) 5.344 14.327 ( -1.730 0.073 3.608) 4.002 14.331 ( -1.624 -0.087 3.570) 3.923 14.463 ( 1.530 0.126 -3.287) 3.628 14.470 ( 1.526 -0.124 -3.483) 3.804 18.796 ( -1.430 0.769 4.170) 4.476 18.839 ( -0.992 -0.833 3.644) 3.867 18.926 ( 0.994 0.658 -2.263) 2.558 18.958 ( 0.828 -0.549 -2.168) 2.385 20.225 ( -4.369 1.007 13.148) 13.891 20.289 ( -5.108 -1.363 11.249) 12.429 20.518 ( -0.907 1.290 -1.599) 2.246 20.585 ( -0.550 -1.184 -2.488) 2.810 22.018 ( 0.221 0.973 -1.710) 1.980 22.037 ( 1.633 0.588 -3.522) 3.927 22.231 ( 1.085 -0.834 -1.076) 1.741 22.249 ( 1.923 -1.101 -2.166) 3.098 ======================= Grid point 174 (97/126) ======================= q-point: ( 0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.992 0.526 2.430) 2.677 0.686 ( -0.988 -1.627 -0.358) 1.937 0.712 ( 1.752 1.144 2.764) 3.467 0.814 ( 1.063 -2.766 1.150) 3.179 0.876 ( 0.488 0.794 -0.988) 1.358 0.904 ( 1.746 -0.007 0.952) 1.988 0.935 ( 0.694 1.174 -1.347) 1.917 0.971 ( 3.558 1.617 1.212) 4.091 1.112 ( -0.758 -2.525 2.220) 3.446 1.142 ( -1.070 -2.772 -1.046) 3.150 1.242 ( 2.557 0.402 -3.518) 4.367 1.273 ( 3.185 -1.592 -3.713) 5.145 1.831 ( 2.489 2.675 2.888) 4.657 1.900 ( 4.844 1.100 -3.694) 6.190 2.097 ( 4.689 -0.752 4.725) 6.699 2.219 ( 3.002 -2.615 -0.595) 4.026 2.730 ( -0.848 1.581 3.739) 4.147 2.824 ( -2.713 -2.165 2.632) 4.356 2.956 ( 0.344 4.496 -2.874) 5.347 3.100 ( 2.896 -1.675 1.429) 3.638 3.504 ( -1.569 2.731 10.015) 10.498 3.631 ( -0.826 -2.079 6.948) 7.299 4.031 ( 5.711 1.354 -14.734) 15.860 4.090 ( 5.018 -0.913 -13.162) 14.116 5.226 ( -10.639 1.475 24.904) 27.121 5.312 ( -9.333 -1.648 23.873) 25.685 6.096 ( 8.455 0.839 -18.177) 20.064 6.137 ( 7.895 -0.647 -18.582) 20.200 7.114 ( 1.056 -0.194 3.675) 3.829 7.144 ( 1.371 -1.557 2.530) 3.272 7.200 ( 1.735 0.952 -0.389) 2.017 7.213 ( 1.334 0.672 0.385) 1.542 7.969 ( -6.038 0.283 7.578) 9.694 8.001 ( -5.683 -0.994 9.142) 10.810 8.089 ( -0.925 1.080 5.059) 5.255 8.135 ( -1.075 -0.712 4.823) 4.992 9.370 ( -1.761 1.102 4.119) 4.613 9.431 ( -1.402 -1.125 3.776) 4.182 9.690 ( 4.761 0.947 -8.877) 10.118 9.737 ( 4.535 -0.803 -9.371) 10.441 11.461 ( -1.796 0.425 0.520) 1.917 11.487 ( -1.771 -0.551 -0.537) 1.931 11.579 ( 1.647 0.216 -4.087) 4.412 11.586 ( 1.816 -0.065 -4.578) 4.926 14.326 ( -1.553 0.114 3.592) 3.915 14.333 ( -1.405 -0.129 3.579) 3.847 14.466 ( 1.671 0.118 -3.226) 3.635 14.472 ( 1.796 -0.115 -3.411) 3.856 18.801 ( -1.642 0.784 3.794) 4.208 18.845 ( -1.422 -0.899 3.244) 3.654 18.919 ( 0.355 0.636 -2.236) 2.352 18.948 ( 0.118 -0.472 -2.277) 2.328 20.266 ( -3.492 0.600 13.769) 14.218 20.304 ( -4.327 -0.772 12.668) 13.409 20.484 ( -1.042 1.206 -1.700) 2.330 20.549 ( -0.958 -1.153 -2.515) 2.928 21.999 ( -0.574 1.246 -1.855) 2.307 22.034 ( 1.055 0.280 -3.105) 3.292 22.216 ( -1.211 -0.493 -1.996) 2.386 22.247 ( 0.161 -1.277 -2.926) 3.197 ======================= Grid point 175 (98/126) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.263 0.064 2.332) 2.347 0.674 ( 0.091 -1.139 -0.383) 1.206 0.779 ( 2.928 0.580 1.764) 3.467 0.845 ( 0.567 -1.630 0.334) 1.758 0.874 ( 1.288 1.853 -0.625) 2.342 0.928 ( -0.061 0.657 2.295) 2.388 0.966 ( 1.988 1.012 -0.824) 2.378 1.060 ( 2.924 0.855 3.879) 4.932 1.104 ( 0.598 -4.310 -2.505) 5.021 1.136 ( 0.198 -1.314 1.020) 1.676 1.261 ( 2.044 1.332 -1.954) 3.126 1.302 ( 2.566 -0.200 -2.699) 3.729 1.898 ( 3.351 1.754 2.072) 4.312 2.010 ( 7.422 -2.287 -0.141) 7.768 2.216 ( 3.618 -0.513 3.286) 4.914 2.281 ( 3.425 -0.955 0.291) 3.567 2.762 ( 0.241 1.451 4.741) 4.964 2.813 ( -2.196 -1.105 5.801) 6.300 2.957 ( 2.553 4.994 -3.354) 6.535 3.161 ( 2.349 -2.841 1.085) 3.843 3.556 ( -0.638 2.525 7.058) 7.523 3.675 ( 0.164 -1.980 4.872) 5.262 4.021 ( 6.272 1.028 -13.957) 15.336 4.074 ( 5.212 -0.936 -13.303) 14.318 5.233 ( -11.290 1.626 25.275) 27.730 5.329 ( -10.750 -1.881 24.491) 26.813 6.116 ( 9.783 0.788 -17.656) 20.200 6.150 ( 10.047 -0.475 -18.117) 20.722 7.170 ( 1.928 -0.648 2.610) 3.309 7.185 ( 1.508 -1.325 0.925) 2.210 7.242 ( 2.609 1.172 0.464) 2.897 7.256 ( 1.875 0.760 1.817) 2.720 7.911 ( -6.097 0.816 6.500) 8.949 7.977 ( -4.995 -1.625 8.661) 10.129 8.093 ( -2.459 1.356 3.494) 4.483 8.151 ( -1.906 -0.765 4.923) 5.334 9.385 ( -0.858 0.999 5.227) 5.390 9.441 ( -1.090 -1.033 4.075) 4.343 9.708 ( 4.880 0.768 -8.486) 9.820 9.746 ( 4.678 -0.631 -8.869) 10.047 11.428 ( -1.887 0.185 0.024) 1.896 11.447 ( -1.720 -0.570 -0.823) 1.990 11.562 ( 0.635 0.300 -4.792) 4.843 11.568 ( 0.464 0.067 -4.789) 4.812 14.329 ( -1.431 0.158 3.584) 3.862 14.338 ( -1.300 -0.184 3.609) 3.840 14.471 ( 1.733 0.151 -3.225) 3.664 14.479 ( 1.906 -0.138 -3.364) 3.869 18.798 ( -1.892 0.720 3.343) 3.908 18.839 ( -1.906 -0.856 2.717) 3.427 18.904 ( -0.080 0.514 -1.998) 2.065 18.926 ( -0.358 -0.352 -2.344) 2.397 20.318 ( -3.020 0.116 12.447) 12.808 20.331 ( -4.183 -0.389 12.487) 13.175 20.459 ( -0.383 1.166 -1.001) 1.584 20.517 ( -0.553 -0.993 -1.313) 1.737 21.972 ( -0.757 1.339 -1.395) 2.076 22.026 ( 0.723 -0.348 -2.611) 2.731 22.162 ( -2.442 0.129 -2.323) 3.373 22.209 ( -1.059 -1.289 -3.831) 4.179 ======================= Grid point 176 (99/126) ======================= q-point: (-0.62 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.001 0.104 2.232) 2.234 0.683 ( 1.183 -0.722 -0.360) 1.432 0.837 ( 2.164 -0.819 0.444) 2.356 0.846 ( -0.175 -0.793 0.146) 0.825 0.913 ( 1.952 1.882 1.006) 2.892 0.936 ( 0.155 1.130 -0.700) 1.338 0.981 ( 0.070 0.773 0.971) 1.243 1.075 ( -1.029 -1.824 -1.978) 2.881 1.144 ( 2.068 -2.256 2.985) 4.275 1.153 ( 0.527 -1.716 1.561) 2.379 1.290 ( 1.935 2.355 -0.323) 3.065 1.316 ( 1.545 1.476 -3.056) 3.729 1.993 ( 4.566 0.474 2.689) 5.320 2.124 ( 2.783 -3.793 2.212) 5.199 2.268 ( -1.120 2.595 4.450) 5.272 2.339 ( 4.040 1.054 -2.392) 4.811 2.813 ( 0.643 0.280 5.529) 5.574 2.838 ( -1.914 -1.280 8.864) 9.158 2.977 ( 1.391 4.204 -2.260) 4.972 3.192 ( 0.530 -3.494 -0.523) 3.572 3.592 ( -0.549 2.303 3.778) 4.459 3.712 ( 0.220 -2.214 2.648) 3.459 4.028 ( 6.350 0.628 -12.861) 14.357 4.064 ( 6.338 -0.736 -14.228) 15.593 5.230 ( -12.501 1.561 26.724) 29.545 5.322 ( -12.834 -1.845 26.113) 29.155 6.157 ( 10.661 0.967 -18.035) 20.973 6.197 ( 11.243 -0.536 -18.228) 21.424 7.214 ( 0.625 -0.812 1.682) 1.969 7.221 ( 1.355 -0.967 1.193) 2.048 7.289 ( 1.191 1.114 1.494) 2.212 7.297 ( 0.724 0.782 1.771) 2.067 7.867 ( -4.556 1.437 6.914) 8.404 7.964 ( -3.754 -2.386 7.654) 8.853 8.063 ( -3.502 2.003 3.095) 5.085 8.142 ( -2.938 -1.129 3.955) 5.055 9.418 ( -0.680 0.676 5.637) 5.718 9.457 ( -1.002 -0.717 4.308) 4.481 9.723 ( 4.267 0.781 -8.278) 9.345 9.762 ( 4.605 -0.649 -8.154) 9.386 11.399 ( -0.891 0.034 -0.372) 0.966 11.418 ( -0.501 -0.722 -1.010) 1.339 11.527 ( 0.309 0.418 -5.470) 5.495 11.531 ( 0.102 0.223 -4.678) 4.685 14.332 ( -1.441 0.190 3.597) 3.880 14.344 ( -1.361 -0.234 3.620) 3.874 14.475 ( 1.656 0.198 -3.278) 3.678 14.485 ( 1.816 -0.171 -3.371) 3.833 18.789 ( -1.941 0.590 3.080) 3.688 18.823 ( -2.127 -0.682 2.390) 3.272 18.886 ( -0.138 0.334 -1.590) 1.630 18.902 ( 0.048 -0.263 -2.299) 2.314 20.341 ( -4.392 0.150 9.800) 10.740 20.364 ( -3.156 -0.813 10.918) 11.394 20.457 ( 0.492 1.305 0.324) 1.432 20.511 ( 0.306 -0.815 0.419) 0.966 21.955 ( -0.141 1.202 -0.319) 1.252 22.021 ( 0.674 -1.154 -1.807) 2.247 22.099 ( -1.986 0.855 -2.370) 3.208 22.152 ( -1.159 -1.030 -4.655) 4.907 ======================= Grid point 177 (100/126) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.887 0.703 1.378) 1.784 0.704 ( 1.213 -0.449 -0.337) 1.336 0.846 ( -0.218 -0.372 0.798) 0.907 0.862 ( -0.071 -0.553 0.337) 0.651 0.902 ( -1.475 0.186 -0.145) 1.494 0.945 ( -0.105 0.070 -2.002) 2.006 1.002 ( 0.541 0.158 -0.025) 0.564 1.043 ( 0.713 -1.513 -0.777) 1.845 1.168 ( -0.083 -0.426 2.208) 2.251 1.205 ( 1.026 -1.948 3.586) 4.209 1.307 ( 1.196 1.671 -3.510) 4.067 1.314 ( 0.030 1.425 -0.530) 1.520 2.091 ( 1.450 0.917 2.343) 2.904 2.126 ( -2.357 -0.633 3.215) 4.036 2.263 ( -2.735 4.543 2.427) 5.831 2.397 ( 3.685 0.254 -1.864) 4.137 2.867 ( -0.875 -1.406 6.451) 6.660 2.881 ( -2.146 -1.796 10.373) 10.743 2.960 ( -1.420 3.598 -0.672) 3.926 3.167 ( -1.995 -3.765 -2.004) 4.709 3.594 ( -1.837 2.027 1.868) 3.312 3.716 ( -1.688 -2.571 1.046) 3.248 4.033 ( 5.998 0.701 -13.079) 14.406 4.073 ( 7.336 -0.707 -14.326) 16.111 5.220 ( -13.280 1.228 28.260) 31.249 5.294 ( -14.522 -1.486 27.914) 31.500 6.198 ( 10.350 1.202 -19.182) 21.829 6.250 ( 10.976 -0.728 -18.812) 21.791 7.225 ( -1.265 -0.728 1.973) 2.454 7.237 ( -0.893 -1.006 1.339) 1.898 7.299 ( -1.528 1.332 2.174) 2.973 7.316 ( -0.108 0.676 1.331) 1.497 7.861 ( -2.865 1.691 8.119) 8.774 7.956 ( -3.147 -1.592 4.700) 5.876 8.031 ( -3.376 1.363 5.802) 6.849 8.114 ( -3.226 -1.470 3.251) 4.810 9.444 ( -1.411 0.536 4.842) 5.072 9.473 ( -1.311 -0.533 4.529) 4.745 9.728 ( 3.656 0.887 -7.971) 8.815 9.773 ( 3.810 -0.774 -8.054) 8.944 11.393 ( 0.678 -0.051 -0.520) 0.856 11.414 ( 1.134 -0.956 -1.247) 1.938 11.493 ( 0.989 0.650 -4.970) 5.109 11.501 ( 0.959 0.303 -4.683) 4.790 14.335 ( -1.568 0.198 3.625) 3.954 14.347 ( -1.567 -0.256 3.595) 3.931 14.476 ( 1.476 0.238 -3.357) 3.675 14.488 ( 1.587 -0.201 -3.424) 3.779 18.780 ( -1.796 0.458 3.192) 3.691 18.805 ( -1.800 -0.463 2.361) 3.004 18.875 ( 0.367 0.341 -1.279) 1.374 18.896 ( 1.296 -0.414 -2.117) 2.516 20.326 ( -5.428 0.708 8.379) 10.008 20.386 ( -3.138 -1.741 8.250) 8.997 20.478 ( 1.028 1.428 1.100) 2.075 20.532 ( 1.089 -0.767 1.307) 1.866 21.967 ( 1.087 0.790 1.147) 1.767 22.016 ( -0.505 -1.161 -0.306) 1.302 22.065 ( 0.980 0.832 -2.933) 3.202 22.099 ( 0.106 -0.552 -4.944) 4.976 ======================= Grid point 178 (101/126) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.936 1.405 0.818) 2.528 0.717 ( 0.417 -0.994 -0.696) 1.283 0.820 ( -2.275 1.520 0.027) 2.736 0.862 ( -0.812 -0.750 2.016) 2.299 0.895 ( -2.102 -0.995 -2.003) 3.069 0.900 ( -0.369 -2.282 1.693) 2.865 0.989 ( -0.576 0.828 -0.711) 1.235 1.076 ( 1.976 -2.236 -1.644) 3.407 1.192 ( 0.499 1.507 2.849) 3.262 1.225 ( -0.989 0.041 -0.573) 1.144 1.289 ( -1.821 -0.028 -1.815) 2.571 1.301 ( 0.685 0.039 -0.606) 0.915 2.013 ( -7.186 3.785 2.069) 8.381 2.180 ( 1.033 -2.096 0.300) 2.356 2.205 ( -4.605 6.732 2.388) 8.499 2.402 ( -3.486 -0.821 0.409) 3.605 2.859 ( -1.853 1.262 0.055) 2.243 2.918 ( -2.613 -1.352 7.708) 8.251 2.962 ( -1.403 -0.617 7.723) 7.873 3.097 ( -3.265 -3.389 -2.355) 5.262 3.557 ( -3.996 1.507 2.562) 4.980 3.667 ( -4.058 -2.755 0.520) 4.933 4.038 ( 6.749 1.048 -13.751) 15.354 4.088 ( 7.070 -0.627 -14.173) 15.850 5.215 ( -12.910 0.659 28.680) 31.458 5.258 ( -14.902 -0.912 28.944) 32.568 6.211 ( 8.821 1.474 -20.298) 22.181 6.280 ( 9.423 -1.065 -19.610) 21.783 7.195 ( -3.648 -0.431 2.063) 4.213 7.209 ( -3.492 -1.032 1.845) 4.082 7.280 ( -2.265 1.657 1.892) 3.384 7.312 ( -1.551 0.217 1.425) 2.117 7.889 ( -2.250 1.258 9.104) 9.462 7.932 ( -2.263 0.638 3.184) 3.958 8.036 ( -3.234 -0.469 8.751) 9.341 8.088 ( -2.404 -1.454 3.513) 4.498 9.447 ( -2.105 0.589 3.859) 4.435 9.477 ( -2.215 -0.527 4.107) 4.696 9.726 ( 3.315 0.786 -7.903) 8.606 9.766 ( 2.904 -0.679 -8.494) 9.002 11.413 ( 1.826 -0.118 -0.542) 1.909 11.435 ( 2.379 -1.138 -1.806) 3.197 11.487 ( 2.268 0.778 -3.620) 4.342 11.494 ( 2.337 0.426 -4.140) 4.773 14.335 ( -1.734 0.175 3.653) 4.047 14.346 ( -1.815 -0.234 3.559) 4.002 14.474 ( 1.312 0.252 -3.417) 3.669 14.486 ( 1.344 -0.216 -3.494) 3.750 18.776 ( -1.688 0.444 3.579) 3.982 18.799 ( -1.097 -0.403 2.689) 2.932 18.881 ( 1.357 0.493 -1.238) 1.902 18.912 ( 2.199 -0.644 -2.054) 3.077 20.285 ( -6.240 1.288 7.998) 10.226 20.383 ( -4.004 -2.556 6.590) 8.124 20.508 ( 1.238 1.457 0.858) 2.096 20.567 ( 1.464 -0.831 0.978) 1.947 22.004 ( -0.030 -0.010 -0.061) 0.069 22.012 ( 1.872 -0.384 1.463) 2.407 22.061 ( 1.887 0.937 -3.797) 4.343 22.102 ( 3.438 -0.681 -2.535) 4.326 ======================= Grid point 179 (102/126) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -1.447 0.923 1.472) 2.262 0.703 ( -1.024 -2.230 -0.332) 2.476 0.796 ( -1.560 1.788 0.880) 2.531 0.839 ( -1.564 -0.543 0.847) 1.860 0.867 ( -0.080 -1.054 -0.672) 1.253 0.917 ( -0.447 -1.725 3.243) 3.700 0.970 ( -1.103 0.840 -0.482) 1.468 1.066 ( -1.410 -2.337 -3.154) 4.171 1.173 ( -2.612 0.688 -1.329) 3.010 1.214 ( -0.782 -0.301 -0.598) 1.030 1.233 ( -1.570 1.604 -0.434) 2.286 1.311 ( 0.337 0.082 -0.645) 0.732 1.895 ( -6.871 3.493 1.027) 7.776 2.088 ( -7.346 3.790 1.593) 8.418 2.185 ( -3.962 -0.812 0.152) 4.048 2.287 ( -7.755 0.880 2.181) 8.104 2.847 ( 0.558 0.167 -1.119) 1.261 2.904 ( -3.200 -0.537 2.658) 4.195 3.002 ( -2.140 -1.621 7.975) 8.415 3.027 ( -2.083 -1.529 -1.494) 2.984 3.499 ( -5.881 1.156 5.672) 8.252 3.597 ( -4.031 -2.680 2.309) 5.363 4.051 ( 7.274 1.184 -14.337) 16.121 4.098 ( 6.844 -0.366 -14.136) 15.710 5.223 ( -11.761 -0.005 27.189) 29.624 5.232 ( -13.888 -0.268 29.036) 32.187 6.188 ( 7.280 1.643 -20.605) 21.915 6.268 ( 7.355 -1.347 -20.196) 21.536 7.138 ( -4.423 -0.239 2.839) 5.261 7.149 ( -4.473 -0.737 2.352) 5.107 7.248 ( -2.577 1.415 1.114) 3.144 7.283 ( -2.574 -0.013 0.967) 2.750 7.912 ( -1.801 0.687 6.446) 6.728 7.952 ( -1.120 1.024 7.974) 8.117 8.046 ( -3.406 -0.992 8.332) 9.056 8.089 ( -1.660 -0.845 5.429) 5.739 9.433 ( -2.602 0.585 3.157) 4.133 9.462 ( -2.710 -0.519 3.519) 4.472 9.718 ( 3.093 0.559 -8.432) 8.998 9.745 ( 2.931 -0.428 -8.907) 9.387 11.446 ( 1.955 -0.020 -0.242) 1.970 11.469 ( 2.980 -1.061 -1.971) 3.727 11.510 ( 2.929 0.606 -2.851) 4.132 11.515 ( 3.169 0.448 -3.343) 4.629 14.332 ( -1.823 0.127 3.665) 4.095 14.340 ( -1.965 -0.170 3.545) 4.057 14.469 ( 1.267 0.227 -3.425) 3.659 14.480 ( 1.218 -0.203 -3.541) 3.750 18.778 ( -1.508 0.563 3.998) 4.309 18.808 ( -0.725 -0.531 3.246) 3.368 18.901 ( 1.876 0.608 -1.505) 2.481 18.937 ( 2.235 -0.717 -2.165) 3.193 20.239 ( -6.296 1.543 9.128) 11.195 20.350 ( -5.260 -2.732 6.432) 8.746 20.533 ( 0.826 1.419 0.207) 1.655 20.596 ( 1.206 -0.950 -0.152) 1.542 22.009 ( 0.764 0.420 -0.416) 0.966 22.030 ( 1.747 -0.151 -3.610) 4.014 22.115 ( 4.083 0.354 1.188) 4.267 22.156 ( 4.091 -0.945 -1.766) 4.555 ======================= Grid point 180 (103/126) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.729 0.596 2.160) 2.356 0.693 ( -0.286 -2.204 0.818) 2.368 0.761 ( -3.730 0.303 2.896) 4.732 0.815 ( -0.930 -1.121 -1.064) 1.804 0.881 ( 1.787 0.234 -1.400) 2.282 0.921 ( -1.441 0.514 0.314) 1.562 0.933 ( -4.111 -2.328 1.051) 4.840 0.987 ( -2.080 -1.250 -1.562) 2.886 1.126 ( -1.603 0.633 -0.807) 1.903 1.185 ( 0.128 -1.729 -1.595) 2.356 1.214 ( -0.751 2.823 -1.015) 3.093 1.300 ( -0.210 -0.104 -2.279) 2.291 1.794 ( -4.494 2.127 1.170) 5.108 1.974 ( -5.342 2.034 0.162) 5.718 2.062 ( -8.453 2.084 4.451) 9.778 2.215 ( -1.619 -1.052 -1.382) 2.374 2.806 ( -4.244 -0.235 0.404) 4.270 2.888 ( 0.022 -1.773 -1.015) 2.042 2.990 ( -0.038 0.589 -0.610) 0.849 3.021 ( -1.776 -0.482 4.014) 4.416 3.451 ( -5.405 1.819 9.058) 10.703 3.572 ( -2.555 -2.642 6.012) 7.047 4.060 ( 6.745 1.282 -14.983) 16.481 4.105 ( 6.485 -0.350 -13.809) 15.260 5.215 ( -12.484 0.483 26.804) 29.573 5.248 ( -10.303 -0.701 26.262) 28.219 6.145 ( 6.670 1.519 -20.096) 21.229 6.221 ( 6.007 -1.314 -20.122) 21.041 7.091 ( -3.513 -0.182 3.867) 5.228 7.102 ( -2.692 -0.675 3.029) 4.108 7.209 ( -1.966 1.175 0.122) 2.294 7.241 ( -2.395 -0.098 0.294) 2.415 7.946 ( -1.087 0.336 7.851) 7.933 8.000 ( -1.353 0.757 8.765) 8.901 8.050 ( -3.654 -0.791 7.896) 8.737 8.105 ( -1.740 -0.576 5.555) 5.850 9.407 ( -2.858 0.674 2.864) 4.102 9.442 ( -2.420 -0.646 3.307) 4.149 9.699 ( 3.078 0.718 -9.326) 9.847 9.733 ( 3.862 -0.568 -8.950) 9.764 11.474 ( 0.831 0.339 0.443) 1.001 11.505 ( 1.867 -0.970 -0.880) 2.280 11.541 ( 3.011 0.477 -3.039) 4.304 11.548 ( 3.564 0.173 -3.835) 5.238 14.329 ( -1.803 0.074 3.642) 4.065 14.334 ( -1.898 -0.098 3.559) 4.035 14.465 ( 1.364 0.175 -3.372) 3.642 14.474 ( 1.286 -0.165 -3.535) 3.765 18.786 ( -1.388 0.689 4.256) 4.529 18.824 ( -0.742 -0.699 3.643) 3.783 18.920 ( 1.632 0.645 -1.968) 2.637 18.954 ( 1.584 -0.640 -2.184) 2.773 20.214 ( -5.486 1.381 11.263) 12.604 20.308 ( -5.745 -2.151 8.509) 10.490 20.538 ( -0.082 1.355 -0.780) 1.565 20.604 ( 0.378 -1.091 -1.507) 1.898 22.019 ( 0.893 0.679 -1.176) 1.625 22.034 ( 2.003 0.467 -3.794) 4.316 22.193 ( 3.290 -0.607 0.339) 3.363 22.214 ( 3.499 -0.986 -1.684) 4.006 ======================= Grid point 181 (104/126) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.573 -1.782 2.054) 2.779 0.655 ( -0.573 1.782 2.054) 2.779 0.736 ( -2.269 -2.576 1.976) 3.961 0.736 ( -2.269 2.576 1.976) 3.961 0.873 ( 0.188 -0.828 -1.445) 1.676 0.873 ( 0.188 0.828 -1.445) 1.676 0.948 ( 1.702 -1.888 -0.227) 2.552 0.948 ( 1.702 1.888 -0.227) 2.552 1.124 ( -2.330 -2.206 -0.448) 3.240 1.124 ( -2.330 2.206 -0.448) 3.240 1.238 ( 1.427 -1.121 -4.282) 4.651 1.238 ( 1.427 1.121 -4.282) 4.651 1.854 ( 0.755 -4.678 -0.828) 4.810 1.854 ( 0.755 4.678 -0.828) 4.810 2.106 ( -1.697 -5.344 1.638) 5.841 2.106 ( -1.697 5.344 1.638) 5.841 2.791 ( -3.112 -3.248 2.878) 5.340 2.791 ( -3.112 3.248 2.878) 5.340 3.024 ( 1.599 -1.523 -1.313) 2.569 3.024 ( 1.599 1.523 -1.313) 2.569 3.526 ( -2.323 -3.473 9.720) 10.580 3.526 ( -2.323 3.473 9.720) 10.580 4.082 ( 5.672 -1.360 -14.297) 15.441 4.082 ( 5.672 1.360 -14.297) 15.441 5.247 ( -10.199 -1.699 25.084) 27.131 5.247 ( -10.199 1.699 25.084) 27.131 6.138 ( 6.748 -1.509 -19.416) 20.610 6.138 ( 6.748 1.509 -19.416) 20.610 7.086 ( -0.731 -0.573 3.670) 3.786 7.086 ( -0.731 0.573 3.670) 3.786 7.205 ( -0.454 -0.533 -0.190) 0.725 7.205 ( -0.454 0.533 -0.190) 0.725 7.999 ( -3.887 -1.345 9.431) 10.289 7.999 ( -3.887 1.345 9.431) 10.289 8.090 ( -1.322 -1.726 5.174) 5.612 8.090 ( -1.322 1.726 5.174) 5.612 9.405 ( -2.258 -1.305 3.353) 4.248 9.405 ( -2.258 1.305 3.353) 4.248 9.710 ( 4.148 -1.261 -9.338) 10.296 9.710 ( 4.148 1.261 -9.338) 10.296 11.495 ( -0.541 -0.847 0.254) 1.037 11.495 ( -0.541 0.847 0.254) 1.037 11.574 ( 2.902 -0.213 -3.978) 4.929 11.574 ( 2.902 0.213 -3.978) 4.929 14.329 ( -1.677 -0.113 3.591) 3.964 14.329 ( -1.677 0.113 3.591) 3.964 14.467 ( 1.527 -0.176 -3.386) 3.719 14.467 ( 1.527 0.176 -3.386) 3.719 18.817 ( -1.201 -1.098 3.846) 4.176 18.817 ( -1.201 1.098 3.846) 4.176 18.943 ( 0.908 -0.817 -2.148) 2.471 18.943 ( 0.908 0.817 -2.148) 2.471 20.255 ( -4.697 -1.643 12.359) 13.323 20.255 ( -4.697 1.643 12.359) 13.323 20.552 ( -0.746 -1.743 -2.092) 2.823 20.552 ( -0.746 1.743 -2.092) 2.823 22.039 ( 0.969 -0.619 -2.536) 2.784 22.039 ( 0.969 0.619 -2.536) 2.784 22.226 ( 1.465 -0.597 -1.599) 2.249 22.226 ( 1.465 0.597 -1.599) 2.249 ======================= Grid point 183 (105/126) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -1.081 -1.237 1.365) 2.136 0.650 ( -1.081 1.237 1.365) 2.136 0.754 ( 1.843 -2.519 1.970) 3.691 0.754 ( 1.843 2.519 1.970) 3.691 0.894 ( 1.991 -0.804 0.287) 2.166 0.894 ( 1.991 0.804 0.287) 2.166 0.975 ( 1.925 -1.822 -2.050) 3.351 0.975 ( 1.925 1.822 -2.050) 3.351 1.089 ( -1.032 -1.508 1.882) 2.623 1.089 ( -1.032 1.508 1.882) 2.623 1.248 ( 3.007 -0.587 -3.769) 4.857 1.248 ( 3.007 0.587 -3.769) 4.857 1.887 ( 3.509 -2.192 -1.675) 4.464 1.887 ( 3.509 2.192 -1.675) 4.464 2.139 ( 2.991 -4.051 2.982) 5.853 2.139 ( 2.991 4.051 2.982) 5.853 2.775 ( -1.810 -2.384 4.175) 5.137 2.775 ( -1.810 2.384 4.175) 5.137 3.045 ( 2.155 -3.443 -1.691) 4.399 3.045 ( 2.155 3.443 -1.691) 4.399 3.572 ( -1.229 -3.219 8.653) 9.314 3.572 ( -1.229 3.219 8.653) 9.314 4.064 ( 5.230 -1.508 -13.947) 14.971 4.064 ( 5.230 1.508 -13.947) 14.971 5.268 ( -9.993 -2.251 24.335) 26.403 5.268 ( -9.993 2.251 24.335) 26.403 6.118 ( 8.238 -1.052 -18.442) 20.226 6.118 ( 8.238 1.052 -18.442) 20.226 7.119 ( 1.090 -0.726 2.927) 3.206 7.119 ( 1.090 0.726 2.927) 3.206 7.216 ( 1.629 -0.399 0.246) 1.695 7.216 ( 1.629 0.399 0.246) 1.695 7.981 ( -5.862 -0.795 8.383) 10.260 7.981 ( -5.862 0.795 8.383) 10.260 8.114 ( -0.969 -1.160 4.921) 5.148 8.114 ( -0.969 1.160 4.921) 5.148 9.400 ( -1.602 -1.577 3.986) 4.577 9.400 ( -1.602 1.577 3.986) 4.577 9.715 ( 4.653 -1.230 -9.143) 10.332 9.715 ( 4.653 1.230 -9.143) 10.332 11.473 ( -1.827 -0.669 -0.056) 1.946 11.473 ( -1.827 0.669 -0.056) 1.946 11.584 ( 1.765 -0.181 -4.294) 4.647 11.584 ( 1.765 0.181 -4.294) 4.647 14.330 ( -1.481 -0.172 3.585) 3.883 14.330 ( -1.481 0.172 3.585) 3.883 14.469 ( 1.735 -0.164 -3.318) 3.748 14.469 ( 1.735 0.164 -3.318) 3.748 18.822 ( -1.519 -1.136 3.461) 3.946 18.822 ( -1.519 1.136 3.461) 3.946 18.935 ( 0.220 -0.731 -2.201) 2.330 18.935 ( 0.220 0.731 -2.201) 2.330 20.284 ( -3.903 -0.962 13.246) 13.842 20.284 ( -3.903 0.962 13.246) 13.842 20.517 ( -0.997 -1.663 -2.101) 2.858 20.517 ( -0.997 1.663 -2.101) 2.858 22.028 ( 0.116 -1.034 -2.496) 2.705 22.028 ( 0.116 1.034 -2.496) 2.705 22.219 ( -0.376 -0.924 -2.411) 2.609 22.219 ( -0.376 0.924 -2.411) 2.609 ======================= Grid point 185 (106/126) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.005 -0.893 1.060) 1.386 0.649 ( 0.005 0.893 1.060) 1.386 0.804 ( 1.737 -1.722 0.950) 2.624 0.804 ( 1.737 1.722 0.950) 2.624 0.921 ( 0.527 -1.730 0.993) 2.063 0.921 ( 0.527 1.730 0.993) 2.063 1.006 ( 3.017 -2.992 -1.776) 4.605 1.006 ( 3.017 2.992 -1.776) 4.605 1.102 ( -0.002 -1.683 1.780) 2.450 1.102 ( -0.002 1.683 1.780) 2.450 1.286 ( 3.300 -1.118 -1.583) 3.827 1.286 ( 3.300 1.118 -1.583) 3.827 1.951 ( 4.244 -2.897 -0.002) 5.138 1.951 ( 4.244 2.897 -0.002) 5.138 2.239 ( 4.254 -2.195 3.187) 5.751 2.239 ( 4.254 2.195 3.187) 5.751 2.790 ( -1.100 -1.102 5.568) 5.781 2.790 ( -1.100 1.102 5.568) 5.781 3.073 ( 2.446 -5.143 -2.074) 6.061 3.073 ( 2.446 5.143 -2.074) 6.061 3.619 ( -0.368 -2.998 5.979) 6.699 3.619 ( -0.368 2.998 5.979) 6.699 4.048 ( 5.625 -1.348 -13.614) 14.792 4.048 ( 5.625 1.348 -13.614) 14.792 5.279 ( -11.027 -2.483 24.847) 27.297 5.279 ( -11.027 2.483 24.847) 27.297 6.135 ( 9.974 -0.885 -17.908) 20.517 6.135 ( 9.974 0.885 -17.908) 20.517 7.166 ( 1.802 -0.360 1.694) 2.500 7.166 ( 1.802 0.360 1.694) 2.500 7.261 ( 2.155 -0.384 1.337) 2.565 7.261 ( 2.155 0.384 1.337) 2.565 7.938 ( -5.535 -1.696 7.439) 9.426 7.938 ( -5.535 1.696 7.439) 9.426 8.125 ( -2.134 -1.504 4.345) 5.069 8.125 ( -2.134 1.504 4.345) 5.069 9.413 ( -0.989 -1.442 4.671) 4.987 9.413 ( -0.989 1.442 4.671) 4.987 9.728 ( 4.780 -0.982 -8.683) 9.960 9.728 ( 4.780 0.982 -8.683) 9.960 11.435 ( -1.850 -0.487 -0.534) 1.986 11.435 ( -1.850 0.487 -0.534) 1.986 11.567 ( 0.584 -0.117 -4.661) 4.699 11.567 ( 0.584 0.117 -4.661) 4.699 14.333 ( -1.370 -0.241 3.593) 3.852 14.333 ( -1.370 0.241 3.593) 3.852 14.475 ( 1.823 -0.203 -3.290) 3.767 14.475 ( 1.823 0.203 -3.290) 3.767 18.818 ( -1.875 -1.059 2.977) 3.674 18.818 ( -1.875 1.059 2.977) 3.674 18.916 ( -0.253 -0.562 -2.126) 2.213 18.916 ( -0.253 0.562 -2.126) 2.213 20.323 ( -3.640 -0.354 12.349) 12.879 20.323 ( -3.640 0.354 12.349) 12.879 20.489 ( -0.440 -1.503 -1.036) 1.878 20.489 ( -0.440 1.503 -1.036) 1.878 22.006 ( -0.331 -1.514 -1.999) 2.529 22.006 ( -0.331 1.514 -1.999) 2.529 22.178 ( -1.415 -1.324 -3.088) 3.646 22.178 ( -1.415 1.324 -3.088) 3.646 ======================= Grid point 187 (107/126) ======================= q-point: (-0.62 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.757 -0.646 1.102) 1.485 0.667 ( 0.757 0.646 1.102) 1.485 0.831 ( 0.725 -0.336 0.538) 0.963 0.831 ( 0.725 0.336 0.538) 0.963 0.945 ( 1.234 -0.844 0.255) 1.517 0.945 ( 1.234 0.844 0.255) 1.517 1.017 ( -0.074 -2.786 -2.361) 3.653 1.017 ( -0.074 2.786 -2.361) 3.653 1.128 ( 0.833 -0.444 3.068) 3.210 1.128 ( 0.833 0.444 3.068) 3.210 1.326 ( 2.049 -0.711 -1.581) 2.684 1.326 ( 2.049 0.711 -1.581) 2.684 2.039 ( 3.991 -3.643 2.257) 5.856 2.039 ( 3.991 3.643 2.257) 5.856 2.324 ( 2.070 -2.180 2.827) 4.126 2.324 ( 2.070 2.180 2.827) 4.126 2.820 ( -1.564 -0.475 7.240) 7.422 2.820 ( -1.564 0.475 7.240) 7.422 3.090 ( 1.074 -5.653 -2.607) 6.317 3.090 ( 1.074 5.653 -2.607) 6.317 3.652 ( -0.326 -3.059 3.129) 4.388 3.652 ( -0.326 3.059 3.129) 4.388 4.045 ( 6.311 -0.937 -13.541) 14.969 4.045 ( 6.311 0.937 -13.541) 14.969 5.274 ( -12.677 -2.378 26.450) 29.427 5.274 ( -12.677 2.378 26.450) 29.427 6.180 ( 11.005 -1.024 -18.174) 21.271 6.180 ( 11.005 1.024 -18.174) 21.271 7.207 ( 1.047 -0.190 1.376) 1.739 7.207 ( 1.047 0.190 1.376) 1.739 7.304 ( 0.896 -0.202 1.836) 2.054 7.304 ( 0.896 0.202 1.836) 2.054 7.910 ( -4.086 -2.464 7.268) 8.694 7.910 ( -4.086 2.464 7.268) 8.694 8.108 ( -3.236 -2.008 3.516) 5.183 8.108 ( -3.236 2.008 3.516) 5.183 9.437 ( -0.840 -0.992 4.982) 5.149 9.437 ( -0.840 0.992 4.982) 5.149 9.743 ( 4.430 -1.004 -8.212) 9.384 9.743 ( 4.430 1.004 -8.212) 9.384 11.404 ( -0.710 -0.463 -0.889) 1.228 11.404 ( -0.710 0.463 -0.889) 1.228 11.533 ( 0.214 -0.094 -4.876) 4.882 11.533 ( 0.214 0.094 -4.876) 4.882 14.338 ( -1.405 -0.298 3.602) 3.878 14.338 ( -1.405 0.298 3.602) 3.878 14.480 ( 1.737 -0.258 -3.317) 3.754 14.480 ( 1.737 0.258 -3.317) 3.754 18.805 ( -1.993 -0.873 2.697) 3.465 18.805 ( -1.993 0.873 2.697) 3.465 18.895 ( -0.103 -0.403 -1.917) 1.962 18.895 ( -0.103 0.403 -1.917) 1.962 20.348 ( -3.841 -0.538 10.208) 10.921 20.348 ( -3.841 0.538 10.208) 10.921 20.487 ( 0.417 -1.359 0.524) 1.515 20.487 ( 0.417 1.359 0.524) 1.515 21.988 ( -0.118 -1.702 -0.931) 1.944 21.988 ( -0.118 1.702 -0.931) 1.944 22.124 ( -1.169 -1.366 -3.652) 4.071 22.124 ( -1.169 1.366 -3.652) 4.071 ======================= Grid point 189 (108/126) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.399 -1.018 0.784) 1.345 0.687 ( 0.399 1.018 0.784) 1.345 0.844 ( 0.043 -0.507 1.045) 1.162 0.844 ( 0.043 0.507 1.045) 1.162 0.932 ( -1.886 -1.714 -2.719) 3.726 0.932 ( -1.886 1.714 -2.719) 3.726 1.009 ( 1.101 -1.207 -0.506) 1.710 1.009 ( 1.101 1.207 -0.506) 1.710 1.174 ( 0.945 -0.923 3.890) 4.108 1.174 ( 0.945 0.923 3.890) 4.108 1.329 ( 0.267 -0.174 -2.720) 2.739 1.329 ( 0.267 0.174 -2.720) 2.739 2.113 ( 1.508 -0.878 1.824) 2.524 2.113 ( 1.508 0.878 1.824) 2.524 2.361 ( -0.505 -3.687 2.615) 4.549 2.361 ( -0.505 3.687 2.615) 4.549 2.852 ( -2.300 -0.407 9.084) 9.380 2.852 ( -2.300 0.407 9.084) 9.380 3.063 ( -1.403 -5.455 -2.844) 6.310 3.063 ( -1.403 5.455 -2.844) 6.310 3.651 ( -1.959 -3.098 1.341) 3.903 3.651 ( -1.959 3.098 1.341) 3.903 4.053 ( 6.776 -1.061 -13.712) 15.332 4.053 ( 6.776 1.061 -13.712) 15.332 5.255 ( -13.939 -1.897 28.196) 31.511 5.255 ( -13.939 1.897 28.196) 31.511 6.228 ( 10.706 -1.325 -19.104) 21.939 6.228 ( 10.706 1.325 -19.104) 21.939 7.220 ( -1.033 -0.333 1.615) 1.946 7.220 ( -1.033 0.333 1.615) 1.946 7.320 ( -0.861 -0.407 1.912) 2.136 7.320 ( -0.861 0.407 1.912) 2.136 7.909 ( -2.814 -2.496 7.412) 8.312 7.909 ( -2.814 2.496 7.412) 8.312 8.073 ( -3.470 -2.174 3.486) 5.378 8.073 ( -3.470 2.174 3.486) 5.378 9.459 ( -1.341 -0.759 4.694) 4.941 9.459 ( -1.341 0.759 4.694) 4.941 9.751 ( 3.724 -1.168 -8.010) 8.911 9.751 ( 3.724 1.168 -8.010) 8.911 11.397 ( 0.931 -0.513 -1.150) 1.566 11.397 ( 0.931 0.513 -1.150) 1.566 11.503 ( 0.948 -0.169 -4.558) 4.658 11.503 ( 0.948 0.169 -4.558) 4.658 14.341 ( -1.568 -0.317 3.604) 3.943 14.341 ( -1.568 0.317 3.604) 3.943 14.483 ( 1.530 -0.307 -3.382) 3.725 14.483 ( 1.530 0.307 -3.382) 3.725 18.793 ( -1.761 -0.653 2.759) 3.338 18.793 ( -1.761 0.653 2.759) 3.338 18.885 ( 0.776 -0.528 -1.682) 1.927 18.885 ( 0.776 0.528 -1.682) 1.927 20.350 ( -4.431 -1.477 8.410) 9.620 20.350 ( -4.431 1.477 8.410) 9.620 20.509 ( 1.081 -1.341 1.170) 2.082 20.509 ( 1.081 1.341 1.170) 2.082 21.989 ( 0.411 -1.231 0.493) 1.388 21.989 ( 0.411 1.231 0.493) 1.388 22.084 ( 0.432 -0.828 -4.017) 4.124 22.084 ( 0.432 0.828 -4.017) 4.124 ======================= Grid point 191 (109/126) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.940 -1.819 -0.380) 2.082 0.685 ( -0.940 1.819 -0.380) 2.082 0.852 ( -0.127 -0.583 0.589) 0.839 0.852 ( -0.127 0.583 0.589) 0.839 0.871 ( -2.726 -0.837 0.310) 2.869 0.871 ( -2.726 0.837 0.310) 2.869 1.023 ( 0.828 -2.249 -1.173) 2.668 1.023 ( 0.828 2.249 -1.173) 2.668 1.218 ( 0.364 -0.716 2.066) 2.216 1.218 ( 0.364 0.716 2.066) 2.216 1.296 ( -0.999 -0.522 -2.254) 2.520 1.296 ( -0.999 0.522 -2.254) 2.520 2.108 ( -2.345 -4.405 -1.195) 5.131 2.108 ( -2.345 4.405 -1.195) 5.131 2.345 ( -4.159 -5.002 3.330) 7.308 2.345 ( -4.159 5.002 3.330) 7.308 2.879 ( -3.095 -1.348 8.522) 9.166 2.879 ( -3.095 1.348 8.522) 9.166 3.010 ( -1.599 -4.100 -1.631) 4.693 3.010 ( -1.599 4.100 -1.631) 4.693 3.604 ( -4.205 -2.751 1.468) 5.235 3.604 ( -4.205 2.751 1.468) 5.235 4.066 ( 7.080 -1.352 -13.963) 15.713 4.066 ( 7.080 1.352 -13.963) 15.713 5.235 ( -13.991 -1.114 28.985) 32.205 5.235 ( -13.991 1.114 28.985) 32.205 6.248 ( 9.154 -1.752 -20.113) 22.168 6.248 ( 9.154 1.752 -20.113) 22.168 7.194 ( -3.369 -0.344 1.865) 3.866 7.194 ( -3.369 0.344 1.865) 3.866 7.307 ( -2.096 -0.773 1.801) 2.869 7.307 ( -2.096 0.773 1.801) 2.869 7.923 ( -2.397 -1.475 7.141) 7.676 7.923 ( -2.397 1.475 7.141) 7.676 8.050 ( -2.679 -1.699 5.091) 5.999 8.050 ( -2.679 1.699 5.091) 5.999 9.463 ( -2.143 -0.778 3.975) 4.583 9.463 ( -2.143 0.778 3.975) 4.583 9.746 ( 3.111 -1.032 -8.190) 8.822 9.746 ( 3.111 1.032 -8.190) 8.822 11.416 ( 2.205 -0.524 -1.415) 2.672 11.416 ( 2.205 0.524 -1.415) 2.672 11.498 ( 2.203 -0.144 -3.636) 4.254 11.498 ( 2.203 0.144 -3.636) 4.254 14.340 ( -1.770 -0.284 3.604) 4.025 14.340 ( -1.770 0.284 3.604) 4.025 14.480 ( 1.322 -0.327 -3.450) 3.709 14.480 ( 1.322 0.327 -3.450) 3.709 18.788 ( -1.375 -0.604 3.108) 3.452 18.788 ( -1.375 0.604 3.108) 3.452 18.895 ( 1.750 -0.796 -1.600) 2.501 18.895 ( 1.750 0.796 -1.600) 2.501 20.326 ( -5.313 -2.436 7.586) 9.576 20.326 ( -5.313 2.436 7.586) 9.576 20.541 ( 1.365 -1.478 0.836) 2.178 20.541 ( 1.365 1.478 0.836) 2.178 22.006 ( 0.709 -0.154 0.497) 0.879 22.006 ( 0.709 0.154 0.497) 0.879 22.083 ( 2.835 -1.041 -2.976) 4.240 22.083 ( 2.835 1.041 -2.976) 4.240 ======================= Grid point 193 (110/126) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.482 -2.006 -0.165) 2.499 0.655 ( -1.482 2.006 -0.165) 2.499 0.824 ( -1.870 -0.763 -0.069) 2.021 0.824 ( -1.870 0.763 -0.069) 2.021 0.871 ( 0.014 -1.552 2.447) 2.898 0.871 ( 0.014 1.552 2.447) 2.898 1.013 ( -1.063 -2.466 -1.572) 3.112 1.013 ( -1.063 2.466 -1.572) 3.112 1.189 ( -2.410 -0.914 -1.913) 3.210 1.189 ( -2.410 0.914 -1.913) 3.210 1.287 ( 0.138 -2.126 0.208) 2.140 1.287 ( 0.138 2.126 0.208) 2.140 2.015 ( -5.463 -6.454 -3.021) 8.979 2.015 ( -5.463 6.454 -3.021) 8.979 2.264 ( -7.253 -3.503 3.591) 8.818 2.264 ( -7.253 3.503 3.591) 8.818 2.871 ( -3.435 -2.025 4.303) 5.866 2.871 ( -3.435 2.025 4.303) 5.866 2.994 ( 0.076 -1.021 0.656) 1.216 2.994 ( 0.076 1.021 0.656) 1.216 3.538 ( -4.976 -2.482 4.189) 6.962 3.538 ( -4.976 2.482 4.189) 6.962 4.080 ( 7.164 -1.256 -14.252) 16.001 4.080 ( 7.164 1.256 -14.252) 16.001 5.225 ( -12.912 -0.251 28.313) 31.120 5.225 ( -12.912 0.251 28.313) 31.120 6.230 ( 7.355 -2.052 -20.573) 21.944 6.230 ( 7.355 2.052 -20.573) 21.944 7.138 ( -4.279 -0.281 2.425) 4.927 7.138 ( -4.279 0.281 2.425) 4.927 7.275 ( -2.767 -0.882 1.182) 3.136 7.275 ( -2.767 0.882 1.182) 3.136 7.940 ( -1.955 -1.643 7.198) 7.638 7.940 ( -1.955 1.643 7.198) 7.638 8.058 ( -2.066 -1.714 6.842) 7.350 8.058 ( -2.066 1.714 6.842) 7.350 9.448 ( -2.658 -0.764 3.321) 4.321 9.448 ( -2.658 0.764 3.321) 4.321 9.732 ( 3.019 -0.689 -8.663) 9.200 9.732 ( 3.019 0.689 -8.663) 9.200 11.451 ( 2.643 -0.559 -1.238) 2.972 11.451 ( 2.643 0.559 -1.238) 2.972 11.519 ( 2.889 -0.134 -2.966) 4.142 11.519 ( 2.889 0.134 -2.966) 4.142 14.336 ( -1.887 -0.206 3.607) 4.076 14.336 ( -1.887 0.206 3.607) 4.076 14.475 ( 1.236 -0.302 -3.481) 3.706 14.475 ( 1.236 0.302 -3.481) 3.706 18.793 ( -1.106 -0.772 3.576) 3.822 18.793 ( -1.106 0.772 3.576) 3.822 18.918 ( 2.051 -0.922 -1.752) 2.851 18.918 ( 2.051 0.922 -1.752) 2.851 20.287 ( -5.878 -2.807 8.200) 10.473 20.287 ( -5.878 2.807 8.200) 10.473 20.567 ( 1.006 -1.621 -0.077) 1.909 20.567 ( 1.006 1.621 -0.077) 1.909 22.021 ( 1.375 -0.593 -1.255) 1.954 22.021 ( 1.375 0.593 -1.255) 1.954 22.132 ( 3.875 -1.144 -1.008) 4.164 22.132 ( 3.875 1.144 -1.008) 4.164 ======================= Grid point 195 (111/126) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.343 -1.774 1.428) 2.303 0.644 ( -0.343 1.774 1.428) 2.303 0.784 ( -3.165 -1.472 0.972) 3.623 0.784 ( -3.165 1.472 0.972) 3.623 0.890 ( 0.200 -0.873 0.361) 0.966 0.890 ( 0.200 0.873 0.361) 0.966 0.954 ( -2.697 -1.663 -1.537) 3.521 0.954 ( -2.697 1.663 -1.537) 3.521 1.150 ( -0.407 -1.415 -1.080) 1.826 1.150 ( -0.407 1.415 -1.080) 1.826 1.271 ( -1.043 -2.284 -2.304) 3.408 1.271 ( -1.043 2.284 -2.304) 3.408 1.895 ( -4.354 -5.941 -1.448) 7.507 1.895 ( -4.354 5.941 -1.448) 7.507 2.163 ( -5.696 -4.121 1.960) 7.299 2.163 ( -5.696 4.121 1.960) 7.299 2.833 ( -3.613 -2.572 2.599) 5.141 2.833 ( -3.613 2.572 2.599) 5.141 3.007 ( 1.024 -0.804 -0.418) 1.367 3.007 ( 1.024 0.804 -0.418) 1.367 3.506 ( -3.824 -3.134 8.050) 9.447 3.506 ( -3.824 3.134 8.050) 9.447 4.088 ( 6.618 -1.172 -14.420) 15.910 4.088 ( 6.618 1.172 -14.420) 15.910 5.230 ( -11.421 -0.868 26.669) 29.025 5.230 ( -11.421 0.868 26.669) 29.025 6.185 ( 6.384 -1.950 -20.274) 21.344 6.185 ( 6.384 1.950 -20.274) 21.344 7.091 ( -3.039 -0.240 3.270) 4.471 7.091 ( -3.039 0.240 3.270) 4.471 7.232 ( -2.323 -0.786 0.334) 2.475 7.232 ( -2.323 0.786 0.334) 2.475 7.972 ( -1.774 -1.917 8.404) 8.800 7.972 ( -1.774 1.917 8.404) 8.800 8.076 ( -2.181 -1.927 6.598) 7.212 8.076 ( -2.181 1.927 6.598) 7.212 9.425 ( -2.660 -0.927 3.095) 4.185 9.425 ( -2.660 0.927 3.095) 4.185 9.717 ( 3.479 -0.898 -9.149) 9.829 9.717 ( 3.479 0.898 -9.149) 9.829 11.486 ( 1.558 -0.761 -0.302) 1.760 11.486 ( 1.558 0.761 -0.302) 1.760 11.548 ( 3.097 -0.174 -3.361) 4.573 11.548 ( 3.097 0.174 -3.361) 4.573 14.331 ( -1.846 -0.120 3.604) 4.051 14.331 ( -1.846 0.120 3.604) 4.051 14.469 ( 1.321 -0.239 -3.455) 3.706 14.469 ( 1.321 0.239 -3.455) 3.706 18.805 ( -1.056 -0.967 3.891) 4.146 18.805 ( -1.056 0.967 3.891) 4.146 18.937 ( 1.613 -0.885 -1.991) 2.711 18.937 ( 1.613 0.885 -1.991) 2.711 20.256 ( -5.598 -2.392 10.221) 11.897 20.256 ( -5.598 2.392 10.221) 11.897 20.573 ( 0.125 -1.715 -1.234) 2.117 20.573 ( 0.125 1.715 -1.234) 2.117 22.035 ( 1.571 -0.493 -2.188) 2.738 22.035 ( 1.571 0.493 -2.188) 2.738 22.193 ( 3.211 -0.664 -0.851) 3.388 22.193 ( 3.211 0.664 -0.851) 3.388 ======================= Grid point 205 (112/126) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.276 0.000 -2.249) 2.266 0.666 ( -0.276 0.000 2.249) 2.266 0.808 ( 3.516 0.000 -4.224) 5.496 0.808 ( -3.516 0.000 4.224) 5.496 0.860 ( -1.619 0.000 -2.071) 2.628 0.860 ( 1.619 0.000 2.071) 2.628 0.930 ( -1.615 0.000 -1.953) 2.535 0.930 ( 1.615 0.000 1.953) 2.535 1.174 ( -1.147 0.000 0.071) 1.149 1.174 ( 1.147 0.000 -0.071) 1.149 1.216 ( 0.475 0.000 -4.205) 4.231 1.216 ( -0.475 0.000 4.205) 4.231 1.804 ( -1.343 0.000 -0.354) 1.389 1.804 ( 1.343 0.000 0.354) 1.389 2.136 ( 2.089 0.000 -4.799) 5.234 2.136 ( -2.089 0.000 4.799) 5.234 2.760 ( 1.950 0.000 -4.086) 4.528 2.760 ( -1.950 0.000 4.086) 4.528 3.042 ( -6.010 0.000 1.758) 6.262 3.042 ( 6.010 0.000 -1.758) 6.262 3.713 ( 6.411 0.000 -16.895) 18.070 3.713 ( -6.411 0.000 16.895) 18.070 3.833 ( 5.560 0.000 -14.301) 15.344 3.833 ( -5.560 0.000 14.301) 15.344 5.683 ( 10.512 0.000 -23.679) 25.908 5.683 ( -10.512 0.000 23.679) 25.908 5.764 ( 8.732 0.000 -23.596) 25.160 5.764 ( -8.732 0.000 23.596) 25.160 7.143 ( 0.231 0.000 -2.178) 2.191 7.143 ( -0.231 0.000 2.178) 2.191 7.184 ( -0.598 0.000 -2.371) 2.445 7.184 ( 0.598 0.000 2.371) 2.445 8.088 ( -2.581 0.000 0.241) 2.593 8.088 ( 2.581 0.000 -0.241) 2.593 8.154 ( 2.409 0.000 -1.551) 2.865 8.154 ( -2.409 0.000 1.551) 2.865 9.490 ( 4.399 0.000 -8.907) 9.934 9.490 ( -4.399 0.000 8.907) 9.934 9.561 ( 3.923 0.000 -8.708) 9.551 9.561 ( -3.923 0.000 8.708) 9.551 11.508 ( 1.837 0.000 -2.634) 3.211 11.508 ( -1.837 0.000 2.634) 3.211 11.526 ( 1.662 0.000 -1.105) 1.996 11.526 ( -1.662 0.000 1.105) 1.996 14.396 ( 1.765 0.000 -3.626) 4.033 14.396 ( -1.765 0.000 3.626) 4.033 14.402 ( 1.654 0.000 -3.704) 4.057 14.402 ( -1.654 0.000 3.704) 4.057 18.862 ( 1.379 0.000 -3.447) 3.713 18.862 ( -1.379 0.000 3.447) 3.713 18.914 ( 0.955 0.000 -3.082) 3.227 18.914 ( -0.955 0.000 3.082) 3.227 20.421 ( 1.266 0.000 -7.555) 7.661 20.421 ( -1.266 0.000 7.555) 7.661 20.490 ( 2.192 0.000 -8.296) 8.581 20.490 ( -2.192 0.000 8.296) 8.581 21.991 ( -0.891 0.000 0.232) 0.921 21.991 ( 0.891 0.000 -0.232) 0.921 22.235 ( 0.685 0.000 -0.408) 0.798 22.235 ( -0.685 0.000 0.408) 0.798 ======================= Grid point 207 (113/126) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.738 0.000 -2.151) 2.274 0.682 ( -0.346 0.000 2.799) 2.821 0.793 ( -1.331 0.000 3.077) 3.353 0.832 ( 0.030 0.000 -0.374) 0.376 0.842 ( 2.539 0.000 -1.653) 3.030 0.906 ( 1.428 0.000 -0.038) 1.429 0.936 ( 1.939 0.000 1.812) 2.654 1.020 ( 5.273 0.000 2.469) 5.822 1.146 ( -1.984 0.000 -1.515) 2.497 1.149 ( -0.278 0.000 0.288) 0.400 1.220 ( 2.029 0.000 -3.315) 3.887 1.245 ( -0.032 0.000 2.679) 2.679 1.837 ( 4.093 0.000 1.367) 4.316 1.885 ( 6.802 0.000 -0.160) 6.804 2.164 ( 1.367 0.000 1.623) 2.122 2.182 ( 7.364 0.000 -4.802) 8.791 2.774 ( -1.415 0.000 5.126) 5.318 2.794 ( 3.902 0.000 -0.580) 3.944 2.960 ( -4.155 0.000 2.895) 5.064 3.132 ( 5.085 0.000 -1.999) 5.464 3.700 ( 7.531 0.000 -16.612) 18.239 3.736 ( -6.175 0.000 15.915) 17.071 3.811 ( 5.462 0.000 -15.197) 16.149 3.844 ( -5.454 0.000 12.848) 13.957 5.691 ( 11.453 0.000 -23.126) 25.807 5.696 ( -10.020 0.000 24.647) 26.606 5.741 ( 10.166 0.000 -23.474) 25.581 5.805 ( -8.649 0.000 24.469) 25.952 7.153 ( 2.685 0.000 -2.128) 3.426 7.170 ( 1.290 0.000 -2.403) 2.727 7.177 ( 1.913 0.000 1.738) 2.585 7.227 ( 1.998 0.000 1.833) 2.711 8.023 ( -3.632 0.000 -1.019) 3.772 8.104 ( 0.517 0.000 -2.551) 2.603 8.126 ( -2.227 0.000 2.043) 3.022 8.184 ( 1.840 0.000 -1.283) 2.243 9.497 ( -3.205 0.000 9.765) 10.277 9.507 ( 5.088 0.000 -8.208) 9.657 9.564 ( -3.552 0.000 8.556) 9.264 9.566 ( 4.397 0.000 -8.475) 9.548 11.483 ( -2.914 0.000 2.147) 3.619 11.493 ( -2.572 0.000 0.838) 2.705 11.506 ( 0.457 0.000 -2.913) 2.948 11.531 ( 0.076 0.000 -1.509) 1.511 14.395 ( -1.605 0.000 3.658) 3.994 14.399 ( 1.828 0.000 -3.631) 4.065 14.405 ( 1.973 0.000 -3.688) 4.182 14.405 ( -1.398 0.000 3.748) 4.001 18.856 ( 1.097 0.000 -3.507) 3.674 18.861 ( -1.748 0.000 3.206) 3.652 18.899 ( 0.350 0.000 -3.311) 3.329 18.914 ( -1.654 0.000 2.713) 3.178 20.387 ( 1.918 0.000 -7.427) 7.670 20.458 ( -1.259 0.000 6.530) 6.651 20.469 ( 2.393 0.000 -6.390) 6.823 20.519 ( -2.428 0.000 8.551) 8.889 21.974 ( -1.340 0.000 0.902) 1.616 22.000 ( 0.289 0.000 -0.063) 0.296 22.205 ( -2.700 0.000 0.081) 2.701 22.220 ( -1.548 0.000 -1.361) 2.061 ======================= Grid point 208 (114/126) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.923 0.000 -1.977) 2.182 0.698 ( -0.610 0.000 3.001) 3.063 0.802 ( 1.461 0.000 -1.182) 1.880 0.861 ( 1.715 0.000 2.494) 3.027 0.862 ( 0.535 0.000 -0.301) 0.613 0.908 ( 0.330 0.000 -1.476) 1.512 1.003 ( 1.561 0.000 4.335) 4.608 1.077 ( 0.581 0.000 -5.330) 5.361 1.162 ( 3.143 0.000 5.178) 6.057 1.173 ( 1.478 0.000 0.945) 1.754 1.219 ( 0.933 0.000 -2.817) 2.967 1.263 ( 0.095 0.000 2.066) 2.069 1.949 ( 5.524 0.000 2.818) 6.201 2.022 ( 9.255 0.000 -3.891) 10.040 2.193 ( 1.174 0.000 -0.500) 1.276 2.301 ( 6.347 0.000 -0.430) 6.362 2.775 ( -0.854 0.000 2.106) 2.273 2.879 ( 3.921 0.000 2.119) 4.457 2.965 ( 0.499 0.000 5.827) 5.848 3.184 ( 3.098 0.000 -4.033) 5.086 3.721 ( 8.981 0.000 -14.823) 17.332 3.747 ( -6.363 0.000 14.508) 15.842 3.785 ( 5.368 0.000 -14.836) 15.777 3.849 ( -4.793 0.000 11.168) 12.153 5.713 ( 11.809 0.000 -23.490) 26.291 5.719 ( -10.338 0.000 25.811) 27.805 5.751 ( 12.524 0.000 -24.110) 27.169 5.844 ( -9.910 0.000 25.386) 27.252 7.190 ( 2.627 0.000 -1.718) 3.139 7.201 ( 3.994 0.000 -1.619) 4.310 7.230 ( 2.323 0.000 0.941) 2.506 7.279 ( 2.031 0.000 1.201) 2.360 7.956 ( -2.744 0.000 -0.319) 2.762 8.072 ( -1.032 0.000 -3.766) 3.905 8.109 ( -1.467 0.000 2.230) 2.669 8.192 ( 0.549 0.000 -2.218) 2.284 9.529 ( -2.482 0.000 9.916) 10.222 9.533 ( 4.863 0.000 -7.922) 9.296 9.573 ( -3.131 0.000 8.434) 8.997 9.583 ( 4.920 0.000 -8.071) 9.452 11.442 ( -2.894 0.000 1.444) 3.234 11.454 ( -2.423 0.000 1.175) 2.693 11.478 ( -0.668 0.000 -2.930) 3.005 11.506 ( -1.187 0.000 -1.736) 2.103 14.397 ( -1.481 0.000 3.707) 3.992 14.402 ( 1.847 0.000 -3.694) 4.130 14.412 ( 2.076 0.000 -3.677) 4.223 14.412 ( -1.313 0.000 3.789) 4.010 18.847 ( 1.070 0.000 -3.354) 3.521 18.852 ( -1.954 0.000 2.858) 3.462 18.875 ( 0.002 0.000 -3.168) 3.168 18.899 ( -2.275 0.000 2.426) 3.326 20.374 ( 2.911 0.000 -6.177) 6.828 20.474 ( 2.747 0.000 -3.937) 4.800 20.476 ( -1.984 0.000 4.821) 5.213 20.538 ( -2.673 0.000 7.288) 7.763 21.961 ( -1.139 0.000 1.917) 2.229 22.002 ( 0.183 0.000 -0.281) 0.336 22.145 ( -3.693 0.000 0.244) 3.701 22.160 ( -2.887 0.000 -2.706) 3.957 ======================= Grid point 209 (115/126) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.722 0.000 -1.717) 2.432 0.703 ( -1.226 0.000 1.898) 2.259 0.829 ( 2.640 0.000 -1.525) 3.049 0.873 ( 0.199 0.000 1.742) 1.753 0.901 ( 0.125 0.000 -1.255) 1.261 0.912 ( 1.819 0.000 0.511) 1.890 1.040 ( 0.138 0.000 -3.625) 3.628 1.044 ( -1.163 0.000 4.267) 4.422 1.196 ( 0.230 0.000 0.657) 0.697 1.204 ( 0.862 0.000 -2.466) 2.612 1.260 ( 2.268 0.000 2.992) 3.755 1.287 ( 0.611 0.000 1.710) 1.816 2.067 ( 4.282 0.000 3.116) 5.296 2.143 ( 9.145 0.000 -9.266) 13.019 2.203 ( 0.328 0.000 0.897) 0.955 2.346 ( -3.998 0.000 5.236) 6.588 2.824 ( 5.582 0.000 -0.992) 5.670 2.942 ( 0.242 0.000 2.375) 2.387 3.043 ( 1.197 0.000 7.571) 7.665 3.177 ( 1.158 0.000 -6.780) 6.878 3.745 ( -6.404 0.000 13.709) 15.131 3.751 ( 7.121 0.000 -16.506) 17.977 3.789 ( 7.001 0.000 -9.414) 11.732 3.852 ( -4.474 0.000 9.673) 10.657 5.733 ( 12.265 0.000 -25.079) 27.917 5.740 ( -11.251 0.000 26.616) 28.896 5.793 ( 13.711 0.000 -24.718) 28.267 5.856 ( -11.858 0.000 25.731) 28.332 7.230 ( 2.569 0.000 -0.651) 2.650 7.262 ( 3.584 0.000 -1.017) 3.726 7.266 ( 0.890 0.000 0.156) 0.904 7.312 ( 0.500 0.000 0.748) 0.900 7.928 ( -0.701 0.000 1.439) 1.601 8.012 ( -1.728 0.000 -4.058) 4.410 8.113 ( -0.261 0.000 2.545) 2.559 8.171 ( -0.352 0.000 -2.825) 2.847 9.552 ( 4.247 0.000 -7.738) 8.827 9.556 ( -3.097 0.000 8.488) 9.035 9.593 ( -2.673 0.000 9.130) 9.514 9.606 ( 4.702 0.000 -8.181) 9.436 11.411 ( -1.653 0.000 1.530) 2.252 11.429 ( -1.247 0.000 1.363) 1.848 11.439 ( -0.910 0.000 -2.595) 2.750 11.466 ( -1.390 0.000 -1.757) 2.240 14.401 ( -1.482 0.000 3.758) 4.040 14.405 ( 1.763 0.000 -3.757) 4.150 14.418 ( -1.428 0.000 3.785) 4.045 14.418 ( 1.948 0.000 -3.696) 4.178 18.840 ( -1.676 0.000 2.611) 3.103 18.842 ( 1.485 0.000 -3.239) 3.563 18.851 ( 0.129 0.000 -2.533) 2.537 18.874 ( -2.441 0.000 2.300) 3.353 20.391 ( 3.689 0.000 -4.473) 5.798 20.464 ( -3.062 0.000 3.550) 4.688 20.499 ( 2.784 0.000 -2.633) 3.831 20.541 ( -2.642 0.000 5.113) 5.755 21.969 ( -0.169 0.000 2.950) 2.954 22.007 ( 0.842 0.000 -0.575) 1.020 22.080 ( -2.584 0.000 -3.734) 4.541 22.081 ( -3.436 0.000 0.616) 3.490 ======================= Grid point 210 (116/126) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 1.895 0.000 -1.341) 2.322 0.686 ( -1.895 0.000 1.341) 2.322 0.866 ( 2.276 0.000 -1.165) 2.557 0.866 ( -2.276 0.000 1.165) 2.557 0.915 ( -0.716 0.000 -1.622) 1.773 0.915 ( 0.716 0.000 1.622) 1.773 1.037 ( 2.016 0.000 -2.484) 3.200 1.037 ( -2.016 0.000 2.484) 3.200 1.200 ( 0.565 0.000 -1.567) 1.666 1.200 ( -0.565 0.000 1.567) 1.666 1.298 ( -0.373 0.000 -0.336) 0.502 1.298 ( 0.373 0.000 0.336) 0.502 2.148 ( -1.317 0.000 -3.561) 3.797 2.148 ( 1.317 0.000 3.561) 3.797 2.273 ( 8.096 0.000 -6.217) 10.207 2.273 ( -8.096 0.000 6.217) 10.207 2.917 ( 4.618 0.000 -1.749) 4.938 2.917 ( -4.618 0.000 1.749) 4.938 3.122 ( -0.218 0.000 -8.030) 8.033 3.122 ( 0.218 0.000 8.030) 8.033 3.744 ( 6.366 0.000 -14.451) 15.791 3.744 ( -6.366 0.000 14.451) 15.791 3.836 ( 5.802 0.000 -8.898) 10.622 3.836 ( -5.802 0.000 8.898) 10.622 5.745 ( 12.161 0.000 -26.391) 29.058 5.745 ( -12.161 0.000 26.391) 29.058 5.836 ( 13.387 0.000 -25.393) 28.706 5.836 ( -13.387 0.000 25.393) 28.706 7.264 ( -1.153 0.000 -0.014) 1.153 7.264 ( 1.153 0.000 0.014) 1.153 7.306 ( 1.764 0.000 -0.663) 1.884 7.306 ( -1.764 0.000 0.663) 1.884 7.952 ( -1.120 0.000 -3.204) 3.394 7.952 ( 1.120 0.000 3.204) 3.394 8.138 ( -0.491 0.000 -2.831) 2.873 8.138 ( 0.491 0.000 2.831) 2.873 9.561 ( 3.668 0.000 -7.776) 8.598 9.561 ( -3.668 0.000 7.776) 8.598 9.613 ( 3.574 0.000 -8.806) 9.504 9.613 ( -3.574 0.000 8.806) 9.504 11.410 ( 0.044 0.000 -2.023) 2.024 11.410 ( -0.044 0.000 2.023) 2.024 11.434 ( -0.388 0.000 -1.605) 1.651 11.434 ( 0.388 0.000 1.605) 1.651 14.405 ( 1.605 0.000 -3.781) 4.107 14.405 ( -1.605 0.000 3.781) 4.107 14.421 ( 1.685 0.000 -3.742) 4.104 14.421 ( -1.685 0.000 3.742) 4.104 18.837 ( 1.015 0.000 -2.769) 2.949 18.837 ( -1.015 0.000 2.769) 2.949 18.852 ( 1.930 0.000 -2.316) 3.015 18.852 ( -1.930 0.000 2.316) 3.015 20.429 ( 3.756 0.000 -3.403) 5.068 20.429 ( -3.756 0.000 3.403) 5.068 20.526 ( 2.647 0.000 -3.189) 4.144 20.526 ( -2.647 0.000 3.189) 4.144 22.005 ( -1.003 0.000 -3.124) 3.281 22.005 ( 1.003 0.000 3.124) 3.281 22.036 ( 1.943 0.000 -1.369) 2.377 22.036 ( -1.943 0.000 1.369) 2.377 ======================= Grid point 215 (117/126) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.230 0.390 -1.941) 1.993 0.673 ( -0.230 0.390 1.941) 1.993 0.782 ( 2.597 -1.554 -3.529) 4.649 0.782 ( -2.597 -1.554 3.529) 4.649 0.863 ( -0.692 -0.265 -1.115) 1.339 0.863 ( 0.692 -0.265 1.115) 1.339 0.936 ( -1.694 0.638 -2.486) 3.075 0.936 ( 1.694 0.638 2.486) 3.075 1.170 ( 0.634 -0.503 -1.494) 1.699 1.170 ( -0.634 -0.503 1.494) 1.699 1.178 ( -0.160 -2.474 -4.360) 5.015 1.178 ( 0.160 -2.474 4.360) 5.015 1.823 ( -1.106 1.340 -3.923) 4.291 1.823 ( 1.106 1.340 3.923) 4.291 2.130 ( 1.485 -0.376 -5.196) 5.417 2.130 ( -1.485 -0.376 5.196) 5.417 2.784 ( 1.762 1.764 -4.168) 4.857 2.784 ( -1.762 1.764 4.168) 4.857 3.027 ( 0.534 -1.079 -1.219) 1.714 3.027 ( -0.534 -1.079 1.219) 1.714 3.735 ( 5.965 1.792 -16.069) 17.233 3.735 ( -5.965 1.792 16.069) 17.233 3.821 ( 5.433 -1.071 -14.217) 15.257 3.821 ( -5.433 -1.071 14.217) 15.257 5.694 ( 10.175 0.959 -23.457) 25.586 5.694 ( -10.175 0.959 23.457) 25.586 5.752 ( 8.913 -1.038 -23.376) 25.039 5.752 ( -8.913 -1.038 23.376) 25.039 7.133 ( 0.285 -0.616 -1.045) 1.246 7.133 ( -0.285 -0.616 1.045) 1.246 7.194 ( -0.325 0.607 -1.173) 1.360 7.194 ( 0.325 0.607 1.173) 1.360 8.091 ( -1.555 0.233 -1.289) 2.033 8.091 ( 1.555 0.233 1.289) 2.033 8.148 ( -0.442 -0.421 -1.650) 1.759 8.148 ( 0.442 -0.421 1.650) 1.759 9.501 ( 4.330 0.961 -8.892) 9.937 9.501 ( -4.330 0.961 8.892) 9.937 9.551 ( 3.992 -0.880 -8.749) 9.657 9.551 ( -3.992 -0.880 8.749) 9.657 11.508 ( 1.265 0.059 -1.985) 2.354 11.508 ( -1.265 0.059 1.985) 2.354 11.525 ( 0.750 -0.045 -0.875) 1.153 11.525 ( -0.750 -0.045 0.875) 1.153 14.396 ( 1.419 0.027 -2.932) 3.257 14.396 ( -1.419 0.027 2.932) 3.257 14.402 ( 1.340 -0.032 -2.986) 3.273 14.402 ( -1.340 -0.032 2.986) 3.273 18.867 ( 1.131 0.348 -2.875) 3.109 18.867 ( -1.131 0.348 2.875) 3.109 18.910 ( 0.832 -0.323 -2.618) 2.765 18.910 ( -0.832 -0.323 2.618) 2.765 20.429 ( 1.285 0.678 -7.157) 7.303 20.429 ( -1.285 0.678 7.157) 7.303 20.481 ( 1.937 -0.726 -7.684) 7.958 20.481 ( -1.937 -0.726 7.684) 7.958 22.001 ( 0.007 0.783 -0.183) 0.804 22.001 ( -0.007 0.783 0.183) 0.804 22.223 ( 0.380 -0.910 -0.389) 1.060 22.223 ( -0.380 -0.910 0.389) 1.060 ======================= Grid point 217 (118/126) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.110 -0.080 -1.243) 1.251 0.681 ( -0.615 -0.446 1.342) 1.542 0.779 ( -0.342 -0.594 2.617) 2.706 0.816 ( 2.957 -1.151 -1.203) 3.394 0.858 ( -0.281 1.435 -0.006) 1.462 0.912 ( 2.853 0.327 0.134) 2.875 0.934 ( 2.558 -0.129 1.016) 2.755 0.999 ( 3.050 -2.659 -0.468) 4.073 1.114 ( -1.253 -0.623 0.187) 1.412 1.150 ( -1.049 -0.494 1.365) 1.791 1.205 ( 2.340 -0.167 -0.926) 2.522 1.252 ( 2.345 -0.757 2.025) 3.189 1.821 ( 3.603 0.772 -2.154) 4.268 1.916 ( 4.880 0.046 4.218) 6.451 2.157 ( 5.071 0.364 -3.237) 6.027 2.190 ( 4.432 0.068 1.440) 4.661 2.794 ( 0.050 1.684 2.336) 2.880 2.815 ( 2.327 1.290 0.893) 2.807 2.966 ( -3.021 0.959 2.007) 3.752 3.096 ( 4.173 -3.093 -2.070) 5.592 3.714 ( 5.798 1.370 -14.255) 15.450 3.760 ( -4.118 1.781 11.656) 12.489 3.796 ( 3.983 -1.224 -12.161) 12.855 3.836 ( -4.614 -0.805 11.391) 12.316 5.693 ( 6.412 0.467 -12.861) 14.379 5.715 ( -4.071 1.176 11.821) 12.558 5.733 ( 8.670 -0.466 -19.211) 21.082 5.791 ( -7.998 -1.280 22.790) 24.187 7.141 ( 1.838 -0.642 -0.982) 2.181 7.150 ( 1.901 -0.926 -1.604) 2.655 7.205 ( 1.946 1.405 0.553) 2.463 7.232 ( 2.263 0.229 1.196) 2.570 8.030 ( -3.284 0.710 -0.977) 3.499 8.100 ( -2.455 -1.868 0.419) 3.113 8.123 ( 0.858 1.389 -1.388) 2.143 8.180 ( 1.441 -0.557 -0.845) 1.761 9.506 ( -2.170 0.776 6.953) 7.325 9.518 ( 3.874 0.918 -5.631) 6.896 9.552 ( -0.952 -0.930 3.048) 3.326 9.561 ( 1.962 -0.604 -2.712) 3.401 11.480 ( -2.703 -0.181 1.242) 2.981 11.486 ( -2.545 -0.404 0.416) 2.610 11.516 ( 0.154 0.633 -1.751) 1.869 11.531 ( 0.117 -0.040 -1.346) 1.351 14.396 ( -1.285 0.057 2.970) 3.236 14.399 ( 1.113 -0.038 -2.129) 2.403 14.404 ( 0.796 -0.014 -1.071) 1.335 14.405 ( 0.172 -0.015 0.318) 0.362 18.859 ( 0.701 0.314 -2.794) 2.897 18.865 ( -1.266 0.263 2.011) 2.391 18.897 ( 0.115 -0.114 -2.488) 2.494 18.909 ( -1.521 -0.427 2.358) 2.839 20.396 ( 1.878 0.884 -7.163) 7.458 20.448 ( 1.039 -0.988 -2.846) 3.187 20.475 ( -0.192 0.630 3.156) 3.223 20.512 ( -2.097 -0.652 8.011) 8.306 21.986 ( -1.246 1.008 0.776) 1.781 22.006 ( -0.010 0.371 -0.016) 0.371 22.196 ( -2.447 -0.642 -0.078) 2.531 22.207 ( -1.563 -0.990 -1.183) 2.196 ======================= Grid point 218 (119/126) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.898 -0.100 -1.328) 1.606 0.683 ( -0.234 -1.224 1.710) 2.116 0.802 ( 1.386 0.191 0.121) 1.404 0.848 ( 0.308 -1.033 0.048) 1.079 0.870 ( 2.311 1.135 -0.233) 2.585 0.937 ( 0.010 2.020 -0.244) 2.035 0.991 ( 0.867 -1.569 1.871) 2.591 1.028 ( 2.641 -2.950 -3.045) 4.995 1.147 ( 2.133 -0.706 2.851) 3.630 1.158 ( 0.402 -1.034 2.476) 2.713 1.243 ( 1.998 1.915 -0.576) 2.827 1.291 ( 0.797 0.995 1.032) 1.640 1.905 ( 6.101 -0.096 -0.295) 6.109 2.054 ( 6.095 -1.766 3.541) 7.267 2.226 ( 4.260 3.505 -2.570) 6.086 2.302 ( 5.577 0.028 1.232) 5.712 2.807 ( 0.011 2.652 1.572) 3.083 2.880 ( 3.164 -0.090 2.015) 3.753 2.969 ( 0.486 0.918 3.740) 3.882 3.137 ( 2.820 -4.063 -3.833) 6.257 3.717 ( 5.645 0.273 -10.355) 11.796 3.768 ( 4.681 -1.064 -12.586) 13.470 3.777 ( -3.272 1.712 8.161) 8.958 3.842 ( -4.331 -0.671 10.121) 11.029 5.713 ( 7.636 0.287 -13.821) 15.793 5.733 ( 1.348 0.267 -0.685) 1.535 5.755 ( 4.389 0.852 -5.663) 7.215 5.828 ( -9.191 -1.379 23.792) 25.543 7.178 ( 2.805 -0.731 -1.177) 3.128 7.184 ( 3.133 -0.892 -1.081) 3.432 7.257 ( 2.779 1.555 0.379) 3.207 7.285 ( 2.317 0.320 0.855) 2.490 7.969 ( -2.467 1.238 -0.240) 2.770 8.057 ( -1.880 -1.790 -0.925) 2.756 8.116 ( -0.465 1.233 -0.843) 1.564 8.183 ( 0.202 -0.888 -2.041) 2.235 9.533 ( -0.773 0.402 5.606) 5.673 9.542 ( 2.736 0.561 -3.628) 4.578 9.568 ( -1.995 -0.396 6.941) 7.233 9.579 ( 4.176 -0.417 -6.522) 7.756 11.437 ( -2.807 -0.361 1.029) 3.012 11.441 ( -2.389 -0.674 0.284) 2.498 11.493 ( -0.890 0.874 -1.809) 2.197 11.509 ( -1.109 0.135 -1.553) 1.913 14.398 ( -1.139 0.062 2.939) 3.153 14.402 ( 1.133 -0.065 -2.118) 2.403 14.411 ( 0.524 -0.005 -0.246) 0.579 14.412 ( 0.610 -0.005 -0.450) 0.759 18.848 ( 0.582 0.179 -2.550) 2.621 18.854 ( -1.226 0.123 1.098) 1.650 18.875 ( -0.422 0.130 -1.940) 1.989 18.894 ( -2.116 -0.438 2.120) 3.027 20.385 ( 2.768 0.997 -5.787) 6.492 20.448 ( 1.617 -1.513 -2.620) 3.430 20.495 ( -0.934 0.898 3.491) 3.723 20.532 ( -2.423 -0.579 6.733) 7.179 21.973 ( -1.134 0.970 1.644) 2.221 22.003 ( -0.137 -0.031 -0.075) 0.159 22.139 ( -3.407 -0.409 -0.110) 3.433 22.151 ( -2.788 -0.749 -2.338) 3.715 ======================= Grid point 219 (120/126) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 1.683 0.339 -1.098) 2.038 0.695 ( -0.284 -0.688 1.528) 1.700 0.831 ( 1.926 0.184 -0.739) 2.071 0.856 ( 0.430 -0.972 1.029) 1.480 0.900 ( 1.295 0.238 -1.916) 2.325 0.931 ( -0.386 0.730 -0.087) 0.830 1.002 ( 0.979 -1.759 -1.316) 2.405 1.037 ( -0.967 -1.256 1.235) 2.009 1.186 ( 0.900 0.063 2.172) 2.352 1.218 ( 1.277 -1.169 2.517) 3.055 1.257 ( 1.171 1.895 -1.081) 2.476 1.307 ( 0.249 0.499 0.003) 0.558 2.023 ( 6.217 0.001 0.733) 6.261 2.163 ( 1.758 -3.274 1.720) 4.094 2.272 ( 4.595 6.910 -3.838) 9.143 2.370 ( -1.158 1.434 4.084) 4.481 2.851 ( 4.155 2.439 -0.123) 4.820 2.942 ( 0.864 -0.088 1.983) 2.165 3.021 ( 0.651 -1.399 5.540) 5.751 3.131 ( 1.115 -3.922 -6.169) 7.395 3.737 ( 1.742 -0.240 -2.366) 2.948 3.754 ( 3.139 -0.436 -7.913) 8.523 3.794 ( 2.270 0.788 -1.486) 2.825 3.843 ( -4.168 -0.782 8.658) 9.641 5.738 ( 9.801 0.565 -18.857) 21.260 5.752 ( -5.453 0.746 13.822) 14.878 5.791 ( 9.575 0.084 -16.582) 19.148 5.842 ( -10.975 -1.228 24.185) 26.587 7.220 ( 2.409 -0.595 -0.539) 2.539 7.231 ( 2.225 -1.198 -0.374) 2.554 7.302 ( 1.993 1.575 -0.240) 2.551 7.322 ( 0.925 0.604 0.499) 1.212 7.944 ( -0.596 1.472 1.290) 2.046 8.012 ( -1.513 -0.350 -2.491) 2.936 8.107 ( -0.254 -0.045 0.939) 0.974 8.158 ( -0.625 -1.176 -2.623) 2.942 9.559 ( 3.258 0.494 -5.497) 6.409 9.560 ( -2.055 0.366 6.688) 7.007 9.590 ( -2.137 -0.251 7.480) 7.783 9.601 ( 4.090 -0.469 -6.934) 8.064 11.403 ( -1.644 -0.527 0.987) 1.988 11.408 ( -1.294 -0.923 -0.001) 1.590 11.461 ( -0.999 1.011 -1.083) 1.787 11.473 ( -1.270 0.393 -1.363) 1.904 14.402 ( -1.085 0.040 2.831) 3.032 14.404 ( 1.164 -0.048 -2.385) 2.655 14.418 ( 0.069 -0.004 0.487) 0.492 14.419 ( 0.651 -0.005 -0.842) 1.065 18.841 ( -0.419 0.048 0.239) 0.484 18.843 ( 0.569 0.013 -1.959) 2.040 18.853 ( -0.453 0.238 -1.165) 1.273 18.870 ( -2.219 -0.356 1.993) 3.004 20.401 ( 3.366 0.924 -4.059) 5.353 20.455 ( -0.600 -0.944 0.783) 1.365 20.502 ( 0.549 0.396 0.012) 0.677 20.534 ( -2.510 -0.632 4.675) 5.344 21.977 ( -0.209 0.712 2.533) 2.639 22.005 ( 0.571 -0.247 -0.154) 0.641 22.076 ( -2.766 -0.294 -2.235) 3.569 22.077 ( -2.883 -0.314 -0.895) 3.035 ======================= Grid point 220 (121/126) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.187 0.251 -0.992) 1.567 0.690 ( -1.187 0.251 0.992) 1.567 0.859 ( 0.281 -0.498 -0.547) 0.791 0.859 ( -0.281 -0.498 0.547) 0.791 0.911 ( -0.927 -0.255 -0.928) 1.336 0.911 ( 0.927 -0.255 0.928) 1.336 1.020 ( 1.688 -1.213 -1.561) 2.599 1.020 ( -1.688 -1.213 1.561) 2.599 1.216 ( -0.223 0.976 -2.447) 2.643 1.216 ( 0.223 0.976 2.447) 2.643 1.292 ( -1.044 -0.380 -1.773) 2.092 1.292 ( 1.044 -0.380 1.773) 2.092 2.131 ( -3.654 -0.607 -1.297) 3.925 2.131 ( 3.654 -0.607 1.297) 3.925 2.339 ( 5.088 4.279 -4.152) 7.838 2.339 ( -5.088 4.279 4.152) 7.838 2.927 ( -1.054 1.015 -0.842) 1.688 2.927 ( 1.054 1.015 0.842) 1.688 3.083 ( -0.165 -3.260 -7.037) 7.757 3.083 ( 0.165 -3.260 7.037) 7.757 3.746 ( 5.126 0.150 -11.317) 12.425 3.746 ( -5.126 0.150 11.317) 12.425 3.827 ( 4.857 -0.653 -7.553) 9.004 3.827 ( -4.857 -0.653 7.553) 9.004 5.755 ( 11.087 0.870 -23.704) 26.183 5.755 ( -11.087 0.870 23.704) 26.183 5.827 ( 11.945 -0.754 -22.992) 25.920 5.827 ( -11.945 -0.754 22.992) 25.920 7.247 ( -0.113 -0.938 -0.274) 0.984 7.247 ( 0.113 -0.938 0.274) 0.984 7.326 ( 0.611 1.149 -0.384) 1.357 7.326 ( -0.611 1.149 0.384) 1.357 7.966 ( -0.924 1.050 -2.668) 3.012 7.966 ( 0.924 1.050 2.668) 3.012 8.125 ( -0.493 -1.079 -2.402) 2.679 8.125 ( 0.493 -1.079 2.402) 2.679 9.567 ( 3.413 0.578 -7.413) 8.182 9.567 ( -3.413 0.578 7.413) 8.182 9.607 ( 3.349 -0.509 -8.138) 8.815 9.607 ( -3.349 -0.509 8.138) 8.815 11.394 ( 0.116 -0.832 -0.731) 1.114 11.394 ( -0.116 -0.832 0.731) 1.114 11.449 ( -0.172 0.807 -0.454) 0.942 11.449 ( 0.172 0.807 0.454) 0.942 14.404 ( 1.136 -0.004 -2.676) 2.907 14.404 ( -1.136 -0.004 2.676) 2.907 14.421 ( 1.193 -0.005 -2.649) 2.905 14.421 ( -1.193 -0.005 2.649) 2.905 18.839 ( 0.962 0.113 -2.467) 2.650 18.839 ( -0.962 0.113 2.467) 2.650 18.850 ( 1.565 -0.153 -2.140) 2.655 18.850 ( -1.565 -0.153 2.140) 2.655 20.434 ( 3.018 0.408 -2.810) 4.144 20.434 ( -3.018 0.408 2.810) 4.144 20.519 ( 2.263 -0.546 -2.677) 3.547 20.519 ( -2.263 -0.546 2.677) 3.547 22.008 ( -0.723 0.268 -2.669) 2.778 22.008 ( 0.723 0.268 2.669) 2.778 22.033 ( 0.899 -0.317 -1.381) 1.678 22.033 ( -0.899 -0.317 1.381) 1.678 ======================= Grid point 225 (122/126) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 0.000 0.000) 0.000 0.674 ( 0.000 0.000 0.000) 0.000 0.766 ( -0.000 0.000 0.000) 0.000 0.766 ( -0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 -0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.169 ( -0.000 0.000 0.000) 0.000 1.840 ( -0.000 0.000 0.000) 0.000 1.840 ( -0.000 0.000 0.000) 0.000 2.126 ( -0.000 0.000 0.000) 0.000 2.126 ( -0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( -0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.012 ( -0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 -0.000) 0.000 3.768 ( -0.000 -0.000 0.000) 0.000 3.798 ( 0.000 0.000 -0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 5.716 ( -0.000 -0.000 0.000) 0.000 5.716 ( -0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 -0.000) 0.000 5.729 ( 0.000 -0.000 0.000) 0.000 7.126 ( -0.000 0.000 0.000) 0.000 7.126 ( -0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.201 ( -0.000 0.000 0.000) 0.000 8.095 ( -0.000 0.000 0.000) 0.000 8.095 ( -0.000 0.000 0.000) 0.000 8.142 ( -0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 9.525 ( -0.000 -0.000 0.000) 0.000 9.525 ( -0.000 0.000 0.000) 0.000 9.529 ( 0.000 -0.000 -0.000) 0.000 9.529 ( 0.000 0.000 -0.000) 0.000 11.509 ( -0.000 -0.000 0.000) 0.000 11.509 ( -0.000 0.000 0.000) 0.000 11.525 ( 0.000 -0.000 -0.000) 0.000 11.525 ( 0.000 0.000 -0.000) 0.000 14.397 ( 0.000 0.000 -0.000) 0.000 14.397 ( -0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 -0.000) 0.000 14.401 ( -0.000 0.000 0.000) 0.000 18.872 ( 0.000 -0.000 -0.000) 0.000 18.872 ( -0.000 0.000 0.000) 0.000 18.905 ( -0.000 0.000 0.000) 0.000 18.905 ( -0.000 0.000 0.000) 0.000 20.441 ( -0.000 0.000 0.000) 0.000 20.441 ( -0.000 -0.000 0.000) 0.000 20.468 ( 0.000 0.000 -0.000) 0.000 20.468 ( 0.000 -0.000 -0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.012 ( -0.000 0.000 0.000) 0.000 22.210 ( 0.000 -0.000 0.000) 0.000 22.210 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 229 (123/126) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.725 -0.785 -0.242) 1.096 0.662 ( -0.725 0.785 -0.242) 1.096 0.788 ( 1.530 -1.213 0.950) 2.171 0.788 ( 1.530 1.213 0.950) 2.171 0.902 ( 3.349 -1.987 -0.166) 3.898 0.902 ( 3.349 1.987 -0.166) 3.898 0.939 ( 0.756 -1.270 -0.764) 1.664 0.939 ( 0.756 1.270 -0.764) 1.664 1.130 ( -0.938 -1.285 1.337) 2.078 1.130 ( -0.938 1.285 1.337) 2.078 1.221 ( 3.403 -1.514 1.611) 4.058 1.221 ( 3.403 1.514 1.611) 4.058 1.872 ( 3.356 -3.223 0.396) 4.669 1.872 ( 3.356 3.223 0.396) 4.669 2.179 ( 4.917 -1.083 0.717) 5.085 2.179 ( 4.917 1.083 0.717) 5.085 2.824 ( 0.775 -0.659 1.763) 2.035 2.824 ( 0.775 0.659 1.763) 2.035 3.017 ( 1.096 -3.608 -1.126) 3.935 3.017 ( 1.096 3.608 -1.126) 3.935 3.752 ( 4.533 -1.932 -12.623) 13.551 3.752 ( 4.533 1.932 -12.623) 13.551 3.808 ( -4.183 -1.721 10.794) 11.703 3.808 ( -4.183 1.721 10.794) 11.703 5.709 ( 7.496 -0.941 -16.281) 17.948 5.709 ( 7.496 0.941 -16.281) 17.948 5.756 ( -5.957 -1.810 17.566) 18.636 5.756 ( -5.957 1.810 17.566) 18.636 7.136 ( 1.709 -0.244 -1.069) 2.030 7.136 ( 1.709 0.244 -1.069) 2.030 7.228 ( 2.297 -0.644 0.712) 2.489 7.228 ( 2.297 0.644 0.712) 2.489 8.057 ( -2.743 -1.813 -0.414) 3.314 8.057 ( -2.743 1.813 -0.414) 3.314 8.157 ( 1.054 -1.505 -0.972) 2.079 8.157 ( 1.054 1.505 -0.972) 2.079 9.528 ( -1.322 -1.163 4.116) 4.477 9.528 ( -1.322 1.163 4.116) 4.477 9.542 ( 2.672 -1.047 -3.277) 4.356 9.542 ( 2.672 1.047 -3.277) 4.356 11.479 ( -2.679 -0.156 0.594) 2.749 11.479 ( -2.679 0.156 0.594) 2.749 11.527 ( 0.179 -0.372 -1.314) 1.377 11.527 ( 0.179 0.372 -1.314) 1.377 14.397 ( -0.321 -0.077 0.910) 0.968 14.397 ( -0.321 0.077 0.910) 0.968 14.404 ( 0.719 -0.025 -0.866) 1.126 14.404 ( 0.719 0.025 -0.866) 1.126 18.866 ( -0.088 -0.218 -1.085) 1.110 18.866 ( -0.088 0.218 -1.085) 1.110 18.899 ( -0.904 -0.372 0.621) 1.159 18.899 ( -0.904 0.372 0.621) 1.159 20.421 ( 1.725 -1.341 -6.183) 6.557 20.421 ( 1.725 1.341 -6.183) 6.557 20.493 ( -1.408 -0.965 6.707) 6.921 20.493 ( -1.408 0.965 6.707) 6.921 22.006 ( -0.758 -0.543 0.350) 0.996 22.006 ( -0.758 0.543 0.350) 0.996 22.190 ( -1.857 -0.335 -0.630) 1.990 22.190 ( -1.857 0.335 -0.630) 1.990 ======================= Grid point 231 (124/126) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.602 -0.780 -0.073) 0.988 0.659 ( 0.602 0.780 -0.073) 0.988 0.819 ( 1.034 -1.294 0.442) 1.714 0.819 ( 1.034 1.294 0.442) 1.714 0.920 ( 1.122 -3.145 -1.878) 3.831 0.920 ( 1.122 3.145 -1.878) 3.831 0.987 ( 1.943 -1.673 0.605) 2.634 0.987 ( 1.943 1.673 0.605) 2.634 1.142 ( 0.904 -0.268 2.529) 2.698 1.142 ( 0.904 0.268 2.529) 2.698 1.283 ( 1.882 -1.458 0.555) 2.445 1.283 ( 1.882 1.458 0.555) 2.445 1.966 ( 5.432 -4.836 1.796) 7.492 1.966 ( 5.432 4.836 1.796) 7.492 2.289 ( 5.443 -1.644 1.152) 5.801 2.289 ( 5.443 1.644 1.152) 5.801 2.861 ( 1.359 -1.837 2.448) 3.348 2.861 ( 1.359 1.837 2.448) 3.348 3.033 ( 1.789 -4.813 -2.016) 5.516 3.033 ( 1.789 4.813 -2.016) 5.516 3.737 ( 4.934 -1.390 -11.759) 12.828 3.737 ( 4.934 1.390 -11.759) 12.828 3.817 ( -3.818 -1.631 9.136) 10.035 3.817 ( -3.818 1.631 9.136) 10.035 5.724 ( 8.739 -0.659 -16.316) 18.521 5.724 ( 8.739 0.659 -16.316) 18.521 5.790 ( -6.600 -1.965 18.142) 19.405 5.790 ( -6.600 1.965 18.142) 19.405 7.171 ( 2.860 -0.179 -0.927) 3.012 7.171 ( 2.860 0.179 -0.927) 3.012 7.282 ( 2.687 -0.682 0.500) 2.817 7.282 ( 2.687 0.682 0.500) 2.817 8.008 ( -2.091 -2.324 -0.069) 3.127 8.008 ( -2.091 2.324 -0.069) 3.127 8.153 ( -0.172 -1.813 -1.943) 2.663 8.153 ( -0.172 1.813 -1.943) 2.663 9.544 ( -0.378 -0.489 3.397) 3.453 9.544 ( -0.378 0.489 3.397) 3.453 9.567 ( 2.437 -0.495 -2.179) 3.306 9.567 ( 2.437 0.495 -2.179) 3.306 11.433 ( -2.642 -0.093 0.450) 2.682 11.433 ( -2.642 0.093 0.450) 2.682 11.507 ( -0.967 -0.360 -1.475) 1.800 11.507 ( -0.967 0.360 -1.475) 1.800 14.400 ( -0.182 -0.094 0.800) 0.826 14.400 ( -0.182 0.094 0.800) 0.826 14.412 ( 0.746 -0.023 -0.738) 1.050 14.412 ( 0.746 0.023 -0.738) 1.050 18.853 ( -0.060 -0.218 -1.553) 1.569 18.853 ( -0.060 0.218 -1.553) 1.569 18.883 ( -1.543 -0.524 0.900) 1.861 18.883 ( -1.543 0.524 0.900) 1.861 20.414 ( 2.328 -1.606 -4.577) 5.380 20.414 ( 2.328 1.606 -4.577) 5.380 20.515 ( -1.801 -0.933 5.396) 5.765 20.515 ( -1.801 0.933 5.396) 5.765 21.995 ( -0.833 -0.814 0.790) 1.407 21.995 ( -0.833 0.814 0.790) 1.407 22.137 ( -2.866 -0.338 -1.254) 3.147 22.137 ( -2.866 0.338 -1.254) 3.147 ======================= Grid point 233 (125/126) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 1.165 -0.713 0.299) 1.398 0.679 ( 1.165 0.713 0.299) 1.398 0.839 ( 0.872 -0.601 0.452) 1.152 0.839 ( 0.872 0.601 0.452) 1.152 0.918 ( 0.643 -1.346 -2.690) 3.076 0.918 ( 0.643 1.346 -2.690) 3.076 1.003 ( -0.195 -1.493 0.710) 1.665 1.003 ( -0.195 1.493 0.710) 1.665 1.195 ( 1.389 -0.746 3.442) 3.786 1.195 ( 1.389 0.746 3.442) 3.786 1.297 ( 0.351 -1.340 -1.505) 2.045 1.297 ( 0.351 1.340 -1.505) 2.045 2.076 ( 4.231 -4.145 1.857) 6.207 2.076 ( 4.231 4.145 1.857) 6.207 2.372 ( 2.266 -1.973 1.025) 3.175 2.372 ( 2.266 1.973 1.025) 3.175 2.914 ( 1.937 -2.730 2.615) 4.248 2.914 ( 1.937 2.730 2.615) 4.248 3.038 ( 0.742 -3.588 -2.735) 4.572 3.038 ( 0.742 3.588 -2.735) 4.572 3.740 ( 3.988 -0.549 -7.510) 8.521 3.740 ( 3.988 0.549 -7.510) 8.521 3.819 ( -2.632 -1.339 5.709) 6.427 3.819 ( -2.632 1.339 5.709) 6.427 5.753 ( 7.877 -0.601 -14.030) 16.101 5.753 ( 7.877 0.601 -14.030) 16.101 5.810 ( -6.363 -1.539 15.324) 16.664 5.810 ( -6.363 1.539 15.324) 16.664 7.215 ( 2.226 -0.235 -0.382) 2.271 7.215 ( 2.226 0.235 -0.382) 2.271 7.325 ( 1.555 -0.454 0.110) 1.624 7.325 ( 1.555 0.454 0.110) 1.624 7.984 ( -0.729 -1.996 0.449) 2.172 7.984 ( -0.729 1.996 0.449) 2.172 8.126 ( -0.740 -1.585 -1.885) 2.571 8.126 ( -0.740 1.585 -1.885) 2.571 9.566 ( 0.075 -0.099 2.272) 2.276 9.566 ( 0.075 0.099 2.272) 2.276 9.590 ( 1.493 -0.394 -1.385) 2.074 9.590 ( 1.493 0.394 -1.385) 2.074 11.397 ( -1.514 -0.092 0.351) 1.556 11.397 ( -1.514 0.092 0.351) 1.556 11.475 ( -1.093 -0.247 -1.081) 1.557 11.475 ( -1.093 0.247 -1.081) 1.557 14.403 ( -0.059 -0.064 0.441) 0.449 14.403 ( -0.059 0.064 0.441) 0.449 14.418 ( 0.458 -0.015 -0.396) 0.606 14.418 ( 0.458 0.015 -0.396) 0.606 18.842 ( 0.280 -0.069 -1.416) 1.445 18.842 ( 0.280 0.069 -1.416) 1.445 18.861 ( -1.550 -0.444 0.954) 1.873 18.861 ( -1.550 0.444 0.954) 1.873 20.427 ( 2.179 -1.402 -2.546) 3.633 20.427 ( 2.179 1.402 -2.546) 3.633 20.517 ( -1.759 -0.842 3.179) 3.730 20.517 ( -1.759 0.842 3.179) 3.730 21.994 ( -0.015 -0.747 1.258) 1.463 21.994 ( -0.015 0.747 1.258) 1.463 22.072 ( -2.598 -0.034 -1.637) 3.071 22.072 ( -2.598 0.034 -1.637) 3.071 ======================= Grid point 235 (126/126) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 0.000 -0.000) 0.000 0.693 ( 0.000 0.000 -0.000) 0.000 0.852 ( 0.000 0.000 -0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 0.908 ( 0.000 0.000 -0.000) 0.000 0.908 ( 0.000 0.000 -0.000) 0.000 1.004 ( 0.000 0.000 -0.000) 0.000 1.004 ( 0.000 0.000 -0.000) 0.000 1.227 ( 0.000 0.000 -0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 -0.000) 0.000 1.288 ( 0.000 0.000 -0.000) 0.000 2.127 ( 0.000 0.000 -0.000) 0.000 2.127 ( 0.000 0.000 -0.000) 0.000 2.394 ( 0.000 0.000 -0.000) 0.000 2.394 ( 0.000 0.000 -0.000) 0.000 2.953 ( 0.000 -0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 -0.000 -0.000) 0.000 3.025 ( 0.000 0.000 -0.000) 0.000 3.748 ( 0.000 0.000 -0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 -0.000 -0.000) 0.000 3.818 ( -0.000 0.000 0.000) 0.000 5.770 ( 0.000 -0.000 -0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 -0.000) 0.000 5.814 ( -0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 -0.000) 0.000 7.236 ( 0.000 0.000 -0.000) 0.000 7.340 ( 0.000 0.000 -0.000) 0.000 7.340 ( 0.000 0.000 -0.000) 0.000 7.982 ( 0.000 -0.000 -0.000) 0.000 7.982 ( 0.000 0.000 -0.000) 0.000 8.108 ( 0.000 0.000 -0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 -0.000 -0.000) 0.000 9.578 ( 0.000 0.000 -0.000) 0.000 9.597 ( -0.000 -0.000 0.000) 0.000 9.597 ( -0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 -0.000) 0.000 11.385 ( 0.000 0.000 -0.000) 0.000 11.459 ( 0.000 0.000 -0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 14.404 ( -0.000 0.000 0.000) 0.000 14.404 ( -0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 -0.000) 0.000 14.421 ( 0.000 0.000 -0.000) 0.000 18.841 ( 0.000 -0.000 -0.000) 0.000 18.841 ( -0.000 0.000 0.000) 0.000 18.848 ( 0.000 0.000 -0.000) 0.000 18.848 ( 0.000 -0.000 0.000) 0.000 20.440 ( 0.000 0.000 -0.000) 0.000 20.440 ( 0.000 0.000 -0.000) 0.000 20.511 ( -0.000 -0.000 0.000) 0.000 20.511 ( 0.000 0.000 -0.000) 0.000 22.012 ( 0.000 0.000 -0.000) 0.000 22.012 ( 0.000 -0.000 -0.000) 0.000 22.027 ( -0.000 -0.000 0.000) 0.000 22.027 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/19200 10.0 6.124 3.514 7.262 0.000 -0.625 0.000 3/19200 20.0 2.261 1.339 3.069 0.000 -0.328 0.000 3/19200 30.0 1.419 0.836 2.050 0.000 -0.298 0.000 3/19200 40.0 1.086 0.618 1.705 0.000 -0.324 0.000 3/19200 50.0 0.913 0.495 1.570 0.000 -0.362 0.000 3/19200 60.0 0.807 0.415 1.513 0.000 -0.398 0.000 3/19200 70.0 0.735 0.359 1.480 0.000 -0.426 0.000 3/19200 80.0 0.680 0.317 1.451 0.000 -0.444 0.000 3/19200 90.0 0.635 0.284 1.419 0.000 -0.454 0.000 3/19200 100.0 0.597 0.258 1.383 0.000 -0.456 0.000 3/19200 110.0 0.563 0.237 1.343 0.000 -0.454 0.000 3/19200 120.0 0.533 0.218 1.300 0.000 -0.447 0.000 3/19200 130.0 0.505 0.203 1.256 0.000 -0.438 0.000 3/19200 140.0 0.480 0.189 1.212 0.000 -0.427 0.000 3/19200 150.0 0.457 0.178 1.168 0.000 -0.415 0.000 3/19200 160.0 0.435 0.167 1.126 0.000 -0.403 0.000 3/19200 170.0 0.416 0.158 1.085 0.000 -0.391 0.000 3/19200 180.0 0.398 0.150 1.046 0.000 -0.379 0.000 3/19200 190.0 0.381 0.142 1.009 0.000 -0.367 0.000 3/19200 200.0 0.365 0.136 0.974 0.000 -0.355 0.000 3/19200 210.0 0.351 0.129 0.941 0.000 -0.344 0.000 3/19200 220.0 0.338 0.124 0.909 0.000 -0.334 0.000 3/19200 230.0 0.325 0.119 0.880 0.000 -0.324 0.000 3/19200 240.0 0.314 0.114 0.852 0.000 -0.314 0.000 3/19200 250.0 0.303 0.110 0.825 0.000 -0.305 0.000 3/19200 260.0 0.293 0.106 0.800 0.000 -0.296 0.000 3/19200 270.0 0.283 0.102 0.776 0.000 -0.288 0.000 3/19200 280.0 0.275 0.098 0.754 0.000 -0.280 0.000 3/19200 290.0 0.266 0.095 0.733 0.000 -0.272 0.000 3/19200 300.0 0.258 0.092 0.712 0.000 -0.265 0.000 3/19200 310.0 0.251 0.089 0.693 0.000 -0.258 0.000 3/19200 320.0 0.244 0.086 0.675 0.000 -0.251 0.000 3/19200 330.0 0.237 0.084 0.658 0.000 -0.245 0.000 3/19200 340.0 0.231 0.082 0.641 0.000 -0.239 0.000 3/19200 350.0 0.225 0.079 0.626 0.000 -0.234 0.000 3/19200 360.0 0.219 0.077 0.611 0.000 -0.228 0.000 3/19200 370.0 0.214 0.075 0.596 0.000 -0.223 0.000 3/19200 380.0 0.209 0.073 0.583 0.000 -0.218 0.000 3/19200 390.0 0.204 0.071 0.570 0.000 -0.213 0.000 3/19200 400.0 0.199 0.070 0.557 0.000 -0.209 0.000 3/19200 410.0 0.195 0.068 0.545 0.000 -0.204 0.000 3/19200 420.0 0.190 0.067 0.534 0.000 -0.200 0.000 3/19200 430.0 0.186 0.065 0.523 0.000 -0.196 0.000 3/19200 440.0 0.182 0.064 0.512 0.000 -0.192 0.000 3/19200 450.0 0.178 0.062 0.502 0.000 -0.188 0.000 3/19200 460.0 0.175 0.061 0.492 0.000 -0.185 0.000 3/19200 470.0 0.171 0.060 0.483 0.000 -0.181 0.000 3/19200 480.0 0.168 0.058 0.474 0.000 -0.178 0.000 3/19200 490.0 0.165 0.057 0.465 0.000 -0.175 0.000 3/19200 500.0 0.162 0.056 0.456 0.000 -0.171 0.000 3/19200 510.0 0.159 0.055 0.448 0.000 -0.168 0.000 3/19200 520.0 0.156 0.054 0.440 0.000 -0.165 0.000 3/19200 530.0 0.153 0.053 0.433 0.000 -0.163 0.000 3/19200 540.0 0.150 0.052 0.425 0.000 -0.160 0.000 3/19200 550.0 0.148 0.051 0.418 0.000 -0.157 0.000 3/19200 560.0 0.145 0.050 0.411 0.000 -0.155 0.000 3/19200 570.0 0.143 0.049 0.405 0.000 -0.152 0.000 3/19200 580.0 0.141 0.049 0.398 0.000 -0.150 0.000 3/19200 590.0 0.138 0.048 0.392 0.000 -0.148 0.000 3/19200 600.0 0.136 0.047 0.386 0.000 -0.145 0.000 3/19200 610.0 0.134 0.046 0.380 0.000 -0.143 0.000 3/19200 620.0 0.132 0.046 0.375 0.000 -0.141 0.000 3/19200 630.0 0.130 0.045 0.369 0.000 -0.139 0.000 3/19200 640.0 0.128 0.044 0.364 0.000 -0.137 0.000 3/19200 650.0 0.126 0.044 0.358 0.000 -0.135 0.000 3/19200 660.0 0.124 0.043 0.353 0.000 -0.133 0.000 3/19200 670.0 0.123 0.042 0.349 0.000 -0.131 0.000 3/19200 680.0 0.121 0.042 0.344 0.000 -0.129 0.000 3/19200 690.0 0.119 0.041 0.339 0.000 -0.128 0.000 3/19200 700.0 0.118 0.041 0.335 0.000 -0.126 0.000 3/19200 710.0 0.116 0.040 0.330 0.000 -0.124 0.000 3/19200 720.0 0.114 0.039 0.326 0.000 -0.123 0.000 3/19200 730.0 0.113 0.039 0.322 0.000 -0.121 0.000 3/19200 740.0 0.112 0.038 0.318 0.000 -0.120 0.000 3/19200 750.0 0.110 0.038 0.314 0.000 -0.118 0.000 3/19200 760.0 0.109 0.037 0.310 0.000 -0.117 0.000 3/19200 770.0 0.107 0.037 0.306 0.000 -0.115 0.000 3/19200 780.0 0.106 0.036 0.302 0.000 -0.114 0.000 3/19200 790.0 0.105 0.036 0.299 0.000 -0.113 0.000 3/19200 800.0 0.103 0.036 0.295 0.000 -0.111 0.000 3/19200 810.0 0.102 0.035 0.292 0.000 -0.110 0.000 3/19200 820.0 0.101 0.035 0.288 0.000 -0.109 0.000 3/19200 830.0 0.100 0.034 0.285 0.000 -0.107 0.000 3/19200 840.0 0.099 0.034 0.282 0.000 -0.106 0.000 3/19200 850.0 0.098 0.034 0.279 0.000 -0.105 0.000 3/19200 860.0 0.097 0.033 0.276 0.000 -0.104 0.000 3/19200 870.0 0.095 0.033 0.273 0.000 -0.103 0.000 3/19200 880.0 0.094 0.032 0.270 0.000 -0.102 0.000 3/19200 890.0 0.093 0.032 0.267 0.000 -0.101 0.000 3/19200 900.0 0.092 0.032 0.264 0.000 -0.100 0.000 3/19200 910.0 0.091 0.031 0.261 0.000 -0.098 0.000 3/19200 920.0 0.090 0.031 0.258 0.000 -0.097 0.000 3/19200 930.0 0.090 0.031 0.256 0.000 -0.096 0.000 3/19200 940.0 0.089 0.030 0.253 0.000 -0.095 0.000 3/19200 950.0 0.088 0.030 0.251 0.000 -0.095 0.000 3/19200 960.0 0.087 0.030 0.248 0.000 -0.094 0.000 3/19200 970.0 0.086 0.029 0.246 0.000 -0.093 0.000 3/19200 980.0 0.085 0.029 0.243 0.000 -0.092 0.000 3/19200 990.0 0.084 0.029 0.241 0.000 -0.091 0.000 3/19200 1000.0 0.083 0.029 0.239 0.000 -0.090 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m8410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:36:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|