----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.277396525094969 -6.501257904999999 0.000000000000000 b 3.277396525094969 6.501257904999999 0.000000000000000 c -3.159189744209552 0.000000000000000 4.906783830020840 Atomic positions (fractional): *1 O 0.35953558868103 0.23255468099357 0.29326127399169 15.999 2 O 0.76744531900643 0.64046441131897 0.20673872600831 15.999 3 O 0.64046441131897 0.76744531900643 0.70673872600831 15.999 4 O 0.23255468099357 0.35953558868103 0.79326127399169 15.999 *5 O 0.08295748341002 0.45906091513307 0.29140292432492 15.999 6 O 0.45906091513307 0.08295748341002 0.79140292432492 15.999 7 O 0.91704251658998 0.54093908486693 0.70859707567508 15.999 8 O 0.54093908486693 0.91704251658998 0.20859707567508 15.999 *9 Na 0.18027835690248 0.81972164309752 0.25000000000000 22.990 *10 Na 0.94420525299652 0.05579474700348 0.25000000000000 22.990 11 Na 0.81972164309752 0.18027835690248 0.75000000000000 22.990 12 Na 0.05579474700348 0.94420525299652 0.75000000000000 22.990 *13 Er 0.56715048168439 0.43284951831561 0.75000000000000 167.259 14 Er 0.43284951831561 0.56715048168439 0.25000000000000 167.259 *15 Er 0.30667848731638 0.69332151268362 0.75000000000000 167.259 16 Er 0.69332151268362 0.30667848731638 0.25000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.554793050189938 0.000000000000000 0.000000000000000 b 0.000000000000000 13.002515809999998 0.000000000000000 c -3.159189744209552 0.000000000000000 4.906783830020840 Atomic positions (fractional): *1 O 0.29604513483730 0.93650954615627 0.29326127399169 15.999 > 1 2 O 0.70395486516270 0.93650954615627 0.20673872600831 15.999 > 2 3 O 0.20395486516270 0.56349045384373 0.70673872600831 15.999 > 3 4 O 0.79604513483730 0.56349045384373 0.79326127399169 15.999 > 4 *5 O 0.77100919927154 0.68805171586152 0.29140292432492 15.999 > 5 6 O 0.27100919927154 0.81194828413848 0.79140292432492 15.999 > 6 7 O 0.72899080072846 0.81194828413848 0.70859707567508 15.999 > 7 8 O 0.22899080072846 0.68805171586152 0.20859707567508 15.999 > 8 9 O 0.79604513483730 0.43650954615627 0.29326127399169 15.999 > 1 10 O 0.20395486516270 0.43650954615627 0.20673872600831 15.999 > 2 11 O 0.70395486516270 0.06349045384373 0.70673872600831 15.999 > 3 12 O 0.29604513483730 0.06349045384373 0.79326127399169 15.999 > 4 13 O 0.27100919927154 0.18805171586152 0.29140292432492 15.999 > 5 14 O 0.77100919927154 0.31194828413848 0.79140292432492 15.999 > 6 15 O 0.22899080072846 0.31194828413848 0.70859707567508 15.999 > 7 16 O 0.72899080072846 0.18805171586152 0.20859707567508 15.999 > 8 *17 Na 0.00000000000000 0.81972164309752 0.25000000000000 22.990 > 9 *18 Na 0.50000000000000 0.55579474700348 0.25000000000000 22.990 > 10 19 Na 0.50000000000000 0.68027835690248 0.75000000000000 22.990 > 11 20 Na 0.00000000000000 0.94420525299652 0.75000000000000 22.990 > 12 21 Na 0.50000000000000 0.31972164309752 0.25000000000000 22.990 > 9 22 Na 0.00000000000000 0.05579474700348 0.25000000000000 22.990 > 10 23 Na 0.00000000000000 0.18027835690248 0.75000000000000 22.990 > 11 24 Na 0.50000000000000 0.44420525299652 0.75000000000000 22.990 > 12 *25 Er 0.50000000000000 0.93284951831561 0.75000000000000 167.259 > 13 26 Er 0.00000000000000 0.56715048168439 0.25000000000000 167.259 > 14 *27 Er 0.00000000000000 0.69332151268362 0.75000000000000 167.259 > 15 28 Er 0.50000000000000 0.80667848731638 0.25000000000000 167.259 > 16 29 Er 0.00000000000000 0.43284951831561 0.75000000000000 167.259 > 13 30 Er 0.50000000000000 0.06715048168439 0.25000000000000 167.259 > 14 31 Er 0.50000000000000 0.19332151268362 0.75000000000000 167.259 > 15 32 Er 0.00000000000000 0.30667848731638 0.25000000000000 167.259 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.109586100379875 0.000000000000000 0.000000000000000 b 0.000000000000000 13.002515809999998 0.000000000000000 c -6.318379488419104 0.000000000000000 9.813567660041681 Atomic positions (fractional): *1 O 0.14802256741865 0.93650954615627 0.14663063699585 15.999 > 1 2 O 0.64802256741865 0.93650954615627 0.14663063699585 15.999 > 1 3 O 0.14802256741865 0.93650954615627 0.64663063699585 15.999 > 1 4 O 0.64802256741865 0.93650954615627 0.64663063699585 15.999 > 1 5 O 0.35197743258135 0.93650954615627 0.10336936300415 15.999 > 2 6 O 0.85197743258135 0.93650954615627 0.10336936300415 15.999 > 2 7 O 0.35197743258135 0.93650954615627 0.60336936300415 15.999 > 2 8 O 0.85197743258135 0.93650954615627 0.60336936300415 15.999 > 2 9 O 0.10197743258135 0.56349045384373 0.35336936300415 15.999 > 3 10 O 0.60197743258135 0.56349045384373 0.35336936300415 15.999 > 3 11 O 0.10197743258135 0.56349045384373 0.85336936300415 15.999 > 3 12 O 0.60197743258135 0.56349045384373 0.85336936300415 15.999 > 3 13 O 0.39802256741865 0.56349045384373 0.39663063699585 15.999 > 4 14 O 0.89802256741865 0.56349045384373 0.39663063699585 15.999 > 4 15 O 0.39802256741865 0.56349045384373 0.89663063699585 15.999 > 4 16 O 0.89802256741865 0.56349045384373 0.89663063699585 15.999 > 4 *17 O 0.38550459963577 0.68805171586152 0.14570146216246 15.999 > 5 18 O 0.88550459963577 0.68805171586152 0.14570146216246 15.999 > 5 19 O 0.38550459963577 0.68805171586152 0.64570146216246 15.999 > 5 20 O 0.88550459963577 0.68805171586152 0.64570146216246 15.999 > 5 21 O 0.13550459963577 0.81194828413848 0.39570146216246 15.999 > 6 22 O 0.63550459963577 0.81194828413848 0.39570146216246 15.999 > 6 23 O 0.13550459963577 0.81194828413848 0.89570146216246 15.999 > 6 24 O 0.63550459963577 0.81194828413848 0.89570146216246 15.999 > 6 25 O 0.36449540036423 0.81194828413848 0.35429853783754 15.999 > 7 26 O 0.86449540036423 0.81194828413848 0.35429853783754 15.999 > 7 27 O 0.36449540036423 0.81194828413848 0.85429853783754 15.999 > 7 28 O 0.86449540036423 0.81194828413848 0.85429853783754 15.999 > 7 29 O 0.11449540036423 0.68805171586152 0.10429853783754 15.999 > 8 30 O 0.61449540036423 0.68805171586152 0.10429853783754 15.999 > 8 31 O 0.11449540036423 0.68805171586152 0.60429853783754 15.999 > 8 32 O 0.61449540036423 0.68805171586152 0.60429853783754 15.999 > 8 33 O 0.39802256741865 0.43650954615627 0.14663063699585 15.999 > 1 34 O 0.89802256741865 0.43650954615627 0.14663063699585 15.999 > 1 35 O 0.39802256741865 0.43650954615627 0.64663063699585 15.999 > 1 36 O 0.89802256741865 0.43650954615627 0.64663063699585 15.999 > 1 37 O 0.10197743258135 0.43650954615627 0.10336936300415 15.999 > 2 38 O 0.60197743258135 0.43650954615627 0.10336936300415 15.999 > 2 39 O 0.10197743258135 0.43650954615627 0.60336936300415 15.999 > 2 40 O 0.60197743258135 0.43650954615627 0.60336936300415 15.999 > 2 41 O 0.35197743258135 0.06349045384373 0.35336936300415 15.999 > 3 42 O 0.85197743258135 0.06349045384373 0.35336936300415 15.999 > 3 43 O 0.35197743258135 0.06349045384373 0.85336936300415 15.999 > 3 44 O 0.85197743258135 0.06349045384373 0.85336936300415 15.999 > 3 45 O 0.14802256741865 0.06349045384373 0.39663063699585 15.999 > 4 46 O 0.64802256741865 0.06349045384373 0.39663063699585 15.999 > 4 47 O 0.14802256741865 0.06349045384373 0.89663063699585 15.999 > 4 48 O 0.64802256741865 0.06349045384373 0.89663063699585 15.999 > 4 49 O 0.13550459963577 0.18805171586152 0.14570146216246 15.999 > 5 50 O 0.63550459963577 0.18805171586152 0.14570146216246 15.999 > 5 51 O 0.13550459963577 0.18805171586152 0.64570146216246 15.999 > 5 52 O 0.63550459963577 0.18805171586152 0.64570146216246 15.999 > 5 53 O 0.38550459963577 0.31194828413848 0.39570146216246 15.999 > 6 54 O 0.88550459963577 0.31194828413848 0.39570146216246 15.999 > 6 55 O 0.38550459963577 0.31194828413848 0.89570146216246 15.999 > 6 56 O 0.88550459963577 0.31194828413848 0.89570146216246 15.999 > 6 57 O 0.11449540036423 0.31194828413848 0.35429853783754 15.999 > 7 58 O 0.61449540036423 0.31194828413848 0.35429853783754 15.999 > 7 59 O 0.11449540036423 0.31194828413848 0.85429853783754 15.999 > 7 60 O 0.61449540036423 0.31194828413848 0.85429853783754 15.999 > 7 61 O 0.36449540036423 0.18805171586152 0.10429853783754 15.999 > 8 62 O 0.86449540036423 0.18805171586152 0.10429853783754 15.999 > 8 63 O 0.36449540036423 0.18805171586152 0.60429853783754 15.999 > 8 64 O 0.86449540036423 0.18805171586152 0.60429853783754 15.999 > 8 *65 Na 0.00000000000000 0.81972164309752 0.12500000000000 22.990 > 9 66 Na 0.50000000000000 0.81972164309752 0.12500000000000 22.990 > 9 67 Na 0.00000000000000 0.81972164309752 0.62500000000000 22.990 > 9 68 Na 0.50000000000000 0.81972164309752 0.62500000000000 22.990 > 9 *69 Na 0.25000000000000 0.55579474700348 0.12500000000000 22.990 > 10 70 Na 0.75000000000000 0.55579474700348 0.12500000000000 22.990 > 10 71 Na 0.25000000000000 0.55579474700348 0.62500000000000 22.990 > 10 72 Na 0.75000000000000 0.55579474700348 0.62500000000000 22.990 > 10 73 Na 0.25000000000000 0.68027835690248 0.37500000000000 22.990 > 11 74 Na 0.75000000000000 0.68027835690248 0.37500000000000 22.990 > 11 75 Na 0.25000000000000 0.68027835690248 0.87500000000000 22.990 > 11 76 Na 0.75000000000000 0.68027835690248 0.87500000000000 22.990 > 11 77 Na 0.00000000000000 0.94420525299652 0.37500000000000 22.990 > 12 78 Na 0.50000000000000 0.94420525299652 0.37500000000000 22.990 > 12 79 Na 0.00000000000000 0.94420525299652 0.87500000000000 22.990 > 12 80 Na 0.50000000000000 0.94420525299652 0.87500000000000 22.990 > 12 81 Na 0.25000000000000 0.31972164309752 0.12500000000000 22.990 > 9 82 Na 0.75000000000000 0.31972164309752 0.12500000000000 22.990 > 9 83 Na 0.25000000000000 0.31972164309752 0.62500000000000 22.990 > 9 84 Na 0.75000000000000 0.31972164309752 0.62500000000000 22.990 > 9 85 Na 0.00000000000000 0.05579474700348 0.12500000000000 22.990 > 10 86 Na 0.50000000000000 0.05579474700348 0.12500000000000 22.990 > 10 87 Na 0.00000000000000 0.05579474700348 0.62500000000000 22.990 > 10 88 Na 0.50000000000000 0.05579474700348 0.62500000000000 22.990 > 10 89 Na 0.00000000000000 0.18027835690248 0.37500000000000 22.990 > 11 90 Na 0.50000000000000 0.18027835690248 0.37500000000000 22.990 > 11 91 Na 0.00000000000000 0.18027835690248 0.87500000000000 22.990 > 11 92 Na 0.50000000000000 0.18027835690248 0.87500000000000 22.990 > 11 93 Na 0.25000000000000 0.44420525299652 0.37500000000000 22.990 > 12 94 Na 0.75000000000000 0.44420525299652 0.37500000000000 22.990 > 12 95 Na 0.25000000000000 0.44420525299652 0.87500000000000 22.990 > 12 96 Na 0.75000000000000 0.44420525299652 0.87500000000000 22.990 > 12 *97 Er 0.25000000000000 0.93284951831561 0.37500000000000 167.259 > 13 98 Er 0.75000000000000 0.93284951831561 0.37500000000000 167.259 > 13 99 Er 0.25000000000000 0.93284951831561 0.87500000000000 167.259 > 13 100 Er 0.75000000000000 0.93284951831561 0.87500000000000 167.259 > 13 101 Er 0.00000000000000 0.56715048168439 0.12500000000000 167.259 > 14 102 Er 0.50000000000000 0.56715048168439 0.12500000000000 167.259 > 14 103 Er 0.00000000000000 0.56715048168439 0.62500000000000 167.259 > 14 104 Er 0.50000000000000 0.56715048168439 0.62500000000000 167.259 > 14 *105 Er 0.00000000000000 0.69332151268362 0.37500000000000 167.259 > 15 106 Er 0.50000000000000 0.69332151268362 0.37500000000000 167.259 > 15 107 Er 0.00000000000000 0.69332151268362 0.87500000000000 167.259 > 15 108 Er 0.50000000000000 0.69332151268362 0.87500000000000 167.259 > 15 109 Er 0.25000000000000 0.80667848731638 0.12500000000000 167.259 > 16 110 Er 0.75000000000000 0.80667848731638 0.12500000000000 167.259 > 16 111 Er 0.25000000000000 0.80667848731638 0.62500000000000 167.259 > 16 112 Er 0.75000000000000 0.80667848731638 0.62500000000000 167.259 > 16 113 Er 0.00000000000000 0.43284951831561 0.37500000000000 167.259 > 13 114 Er 0.50000000000000 0.43284951831561 0.37500000000000 167.259 > 13 115 Er 0.00000000000000 0.43284951831561 0.87500000000000 167.259 > 13 116 Er 0.50000000000000 0.43284951831561 0.87500000000000 167.259 > 13 117 Er 0.25000000000000 0.06715048168439 0.12500000000000 167.259 > 14 118 Er 0.75000000000000 0.06715048168439 0.12500000000000 167.259 > 14 119 Er 0.25000000000000 0.06715048168439 0.62500000000000 167.259 > 14 120 Er 0.75000000000000 0.06715048168439 0.62500000000000 167.259 > 14 121 Er 0.25000000000000 0.19332151268362 0.37500000000000 167.259 > 15 122 Er 0.75000000000000 0.19332151268362 0.37500000000000 167.259 > 15 123 Er 0.25000000000000 0.19332151268362 0.87500000000000 167.259 > 15 124 Er 0.75000000000000 0.19332151268362 0.87500000000000 167.259 > 15 125 Er 0.00000000000000 0.30667848731638 0.12500000000000 167.259 > 16 126 Er 0.50000000000000 0.30667848731638 0.12500000000000 167.259 > 16 127 Er 0.00000000000000 0.30667848731638 0.62500000000000 167.259 > 16 128 Er 0.50000000000000 0.30667848731638 0.62500000000000 167.259 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5683761 0.0000000 -0.1776371 0.0000000 3.7892314 0.0000000 -0.1776376 0.0000000 3.7596142 -------------------------- Born effective charges -------------------------- 1 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 2 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 3 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 4 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 5 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 6 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 7 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 8 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 9 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 10 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 11 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 12 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 13 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 14 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 15 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 16 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2440 Number of blocks in projector: 2440 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 312 Use standard eigh solver. Tree of FC basis block matrices: - (2440, 2403), data: False |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.786 Solver_block: 200 / 480 - Time: 0.730 Solver_block: 300 / 480 - Time: 0.722 Solver_block: 400 / 480 - Time: 0.720 Solver_block: 480 / 480 - Time: 0.594 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.646 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2440 Number of blocks in projector: 2440 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 312 Use standard eigh solver. Tree of FC basis block matrices: - (2440, 2403), data: False |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:56:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:56:01]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.277396525094969 -6.501257904999999 0.000000000000000 b 3.277396525094969 6.501257904999999 0.000000000000000 c -3.159189744209552 0.000000000000000 4.906783830020840 Atomic positions (fractional): 1 O 0.35953558868103 0.23255468099357 0.29326127399169 15.999 2 O 0.76744531900643 0.64046441131897 0.20673872600831 15.999 3 O 0.64046441131897 0.76744531900643 0.70673872600831 15.999 4 O 0.23255468099357 0.35953558868103 0.79326127399169 15.999 5 O 0.08295748341002 0.45906091513307 0.29140292432492 15.999 6 O 0.45906091513307 0.08295748341002 0.79140292432492 15.999 7 O 0.91704251658998 0.54093908486693 0.70859707567508 15.999 8 O 0.54093908486693 0.91704251658998 0.20859707567508 15.999 9 Na 0.18027835690248 0.81972164309752 0.25000000000000 22.990 10 Na 0.94420525299652 0.05579474700348 0.25000000000000 22.990 11 Na 0.81972164309752 0.18027835690248 0.75000000000000 22.990 12 Na 0.05579474700348 0.94420525299652 0.75000000000000 22.990 13 Er 0.56715048168439 0.43284951831561 0.75000000000000 167.259 14 Er 0.43284951831561 0.56715048168439 0.25000000000000 167.259 15 Er 0.30667848731638 0.69332151268362 0.75000000000000 167.259 16 Er 0.69332151268362 0.30667848731638 0.25000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.109586100379875 0.000000000000000 0.000000000000000 b 0.000000000000000 13.002515809999998 0.000000000000000 c -6.318379488419104 0.000000000000000 9.813567660041681 Atomic positions (fractional): 1 O 0.14802256741865 0.93650954615627 0.14663063699585 15.999 > 1 2 O 0.64802256741865 0.93650954615627 0.14663063699585 15.999 > 1 3 O 0.14802256741865 0.93650954615627 0.64663063699585 15.999 > 1 4 O 0.64802256741865 0.93650954615627 0.64663063699585 15.999 > 1 5 O 0.35197743258135 0.93650954615627 0.10336936300415 15.999 > 5 6 O 0.85197743258135 0.93650954615627 0.10336936300415 15.999 > 5 7 O 0.35197743258135 0.93650954615627 0.60336936300415 15.999 > 5 8 O 0.85197743258135 0.93650954615627 0.60336936300415 15.999 > 5 9 O 0.10197743258135 0.56349045384373 0.35336936300415 15.999 > 9 10 O 0.60197743258135 0.56349045384373 0.35336936300415 15.999 > 9 11 O 0.10197743258135 0.56349045384373 0.85336936300415 15.999 > 9 12 O 0.60197743258135 0.56349045384373 0.85336936300415 15.999 > 9 13 O 0.39802256741865 0.56349045384373 0.39663063699585 15.999 > 13 14 O 0.89802256741865 0.56349045384373 0.39663063699585 15.999 > 13 15 O 0.39802256741865 0.56349045384373 0.89663063699585 15.999 > 13 16 O 0.89802256741865 0.56349045384373 0.89663063699585 15.999 > 13 17 O 0.38550459963577 0.68805171586152 0.14570146216246 15.999 > 17 18 O 0.88550459963577 0.68805171586152 0.14570146216246 15.999 > 17 19 O 0.38550459963577 0.68805171586152 0.64570146216246 15.999 > 17 20 O 0.88550459963577 0.68805171586152 0.64570146216246 15.999 > 17 21 O 0.13550459963577 0.81194828413848 0.39570146216246 15.999 > 21 22 O 0.63550459963577 0.81194828413848 0.39570146216246 15.999 > 21 23 O 0.13550459963577 0.81194828413848 0.89570146216246 15.999 > 21 24 O 0.63550459963577 0.81194828413848 0.89570146216246 15.999 > 21 25 O 0.36449540036423 0.81194828413848 0.35429853783754 15.999 > 25 26 O 0.86449540036423 0.81194828413848 0.35429853783754 15.999 > 25 27 O 0.36449540036423 0.81194828413848 0.85429853783754 15.999 > 25 28 O 0.86449540036423 0.81194828413848 0.85429853783754 15.999 > 25 29 O 0.11449540036423 0.68805171586152 0.10429853783754 15.999 > 29 30 O 0.61449540036423 0.68805171586152 0.10429853783754 15.999 > 29 31 O 0.11449540036423 0.68805171586152 0.60429853783754 15.999 > 29 32 O 0.61449540036423 0.68805171586152 0.60429853783754 15.999 > 29 33 O 0.39802256741865 0.43650954615627 0.14663063699585 15.999 > 1 34 O 0.89802256741865 0.43650954615627 0.14663063699585 15.999 > 1 35 O 0.39802256741865 0.43650954615627 0.64663063699585 15.999 > 1 36 O 0.89802256741865 0.43650954615627 0.64663063699585 15.999 > 1 37 O 0.10197743258135 0.43650954615627 0.10336936300415 15.999 > 5 38 O 0.60197743258135 0.43650954615627 0.10336936300415 15.999 > 5 39 O 0.10197743258135 0.43650954615627 0.60336936300415 15.999 > 5 40 O 0.60197743258135 0.43650954615627 0.60336936300415 15.999 > 5 41 O 0.35197743258135 0.06349045384373 0.35336936300415 15.999 > 9 42 O 0.85197743258135 0.06349045384373 0.35336936300415 15.999 > 9 43 O 0.35197743258135 0.06349045384373 0.85336936300415 15.999 > 9 44 O 0.85197743258135 0.06349045384373 0.85336936300415 15.999 > 9 45 O 0.14802256741865 0.06349045384373 0.39663063699585 15.999 > 13 46 O 0.64802256741865 0.06349045384373 0.39663063699585 15.999 > 13 47 O 0.14802256741865 0.06349045384373 0.89663063699585 15.999 > 13 48 O 0.64802256741865 0.06349045384373 0.89663063699585 15.999 > 13 49 O 0.13550459963577 0.18805171586152 0.14570146216246 15.999 > 17 50 O 0.63550459963577 0.18805171586152 0.14570146216246 15.999 > 17 51 O 0.13550459963577 0.18805171586152 0.64570146216246 15.999 > 17 52 O 0.63550459963577 0.18805171586152 0.64570146216246 15.999 > 17 53 O 0.38550459963577 0.31194828413848 0.39570146216246 15.999 > 21 54 O 0.88550459963577 0.31194828413848 0.39570146216246 15.999 > 21 55 O 0.38550459963577 0.31194828413848 0.89570146216246 15.999 > 21 56 O 0.88550459963577 0.31194828413848 0.89570146216246 15.999 > 21 57 O 0.11449540036423 0.31194828413848 0.35429853783754 15.999 > 25 58 O 0.61449540036423 0.31194828413848 0.35429853783754 15.999 > 25 59 O 0.11449540036423 0.31194828413848 0.85429853783754 15.999 > 25 60 O 0.61449540036423 0.31194828413848 0.85429853783754 15.999 > 25 61 O 0.36449540036423 0.18805171586152 0.10429853783754 15.999 > 29 62 O 0.86449540036423 0.18805171586152 0.10429853783754 15.999 > 29 63 O 0.36449540036423 0.18805171586152 0.60429853783754 15.999 > 29 64 O 0.86449540036423 0.18805171586152 0.60429853783754 15.999 > 29 65 Na 0.00000000000000 0.81972164309752 0.12500000000000 22.990 > 65 66 Na 0.50000000000000 0.81972164309752 0.12500000000000 22.990 > 65 67 Na 0.00000000000000 0.81972164309752 0.62500000000000 22.990 > 65 68 Na 0.50000000000000 0.81972164309752 0.62500000000000 22.990 > 65 69 Na 0.25000000000000 0.55579474700348 0.12500000000000 22.990 > 69 70 Na 0.75000000000000 0.55579474700348 0.12500000000000 22.990 > 69 71 Na 0.25000000000000 0.55579474700348 0.62500000000000 22.990 > 69 72 Na 0.75000000000000 0.55579474700348 0.62500000000000 22.990 > 69 73 Na 0.25000000000000 0.68027835690248 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.68027835690248 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.68027835690248 0.87500000000000 22.990 > 73 76 Na 0.75000000000000 0.68027835690248 0.87500000000000 22.990 > 73 77 Na 0.00000000000000 0.94420525299652 0.37500000000000 22.990 > 77 78 Na 0.50000000000000 0.94420525299652 0.37500000000000 22.990 > 77 79 Na 0.00000000000000 0.94420525299652 0.87500000000000 22.990 > 77 80 Na 0.50000000000000 0.94420525299652 0.87500000000000 22.990 > 77 81 Na 0.25000000000000 0.31972164309752 0.12500000000000 22.990 > 65 82 Na 0.75000000000000 0.31972164309752 0.12500000000000 22.990 > 65 83 Na 0.25000000000000 0.31972164309752 0.62500000000000 22.990 > 65 84 Na 0.75000000000000 0.31972164309752 0.62500000000000 22.990 > 65 85 Na 0.00000000000000 0.05579474700348 0.12500000000000 22.990 > 69 86 Na 0.50000000000000 0.05579474700348 0.12500000000000 22.990 > 69 87 Na 0.00000000000000 0.05579474700348 0.62500000000000 22.990 > 69 88 Na 0.50000000000000 0.05579474700348 0.62500000000000 22.990 > 69 89 Na 0.00000000000000 0.18027835690248 0.37500000000000 22.990 > 73 90 Na 0.50000000000000 0.18027835690248 0.37500000000000 22.990 > 73 91 Na 0.00000000000000 0.18027835690248 0.87500000000000 22.990 > 73 92 Na 0.50000000000000 0.18027835690248 0.87500000000000 22.990 > 73 93 Na 0.25000000000000 0.44420525299652 0.37500000000000 22.990 > 77 94 Na 0.75000000000000 0.44420525299652 0.37500000000000 22.990 > 77 95 Na 0.25000000000000 0.44420525299652 0.87500000000000 22.990 > 77 96 Na 0.75000000000000 0.44420525299652 0.87500000000000 22.990 > 77 97 Er 0.25000000000000 0.93284951831561 0.37500000000000 167.259 > 97 98 Er 0.75000000000000 0.93284951831561 0.37500000000000 167.259 > 97 99 Er 0.25000000000000 0.93284951831561 0.87500000000000 167.259 > 97 100 Er 0.75000000000000 0.93284951831561 0.87500000000000 167.259 > 97 101 Er 0.00000000000000 0.56715048168439 0.12500000000000 167.259 > 101 102 Er 0.50000000000000 0.56715048168439 0.12500000000000 167.259 > 101 103 Er 0.00000000000000 0.56715048168439 0.62500000000000 167.259 > 101 104 Er 0.50000000000000 0.56715048168439 0.62500000000000 167.259 > 101 105 Er 0.00000000000000 0.69332151268362 0.37500000000000 167.259 > 105 106 Er 0.50000000000000 0.69332151268362 0.37500000000000 167.259 > 105 107 Er 0.00000000000000 0.69332151268362 0.87500000000000 167.259 > 105 108 Er 0.50000000000000 0.69332151268362 0.87500000000000 167.259 > 105 109 Er 0.25000000000000 0.80667848731638 0.12500000000000 167.259 > 109 110 Er 0.75000000000000 0.80667848731638 0.12500000000000 167.259 > 109 111 Er 0.25000000000000 0.80667848731638 0.62500000000000 167.259 > 109 112 Er 0.75000000000000 0.80667848731638 0.62500000000000 167.259 > 109 113 Er 0.00000000000000 0.43284951831561 0.37500000000000 167.259 > 97 114 Er 0.50000000000000 0.43284951831561 0.37500000000000 167.259 > 97 115 Er 0.00000000000000 0.43284951831561 0.87500000000000 167.259 > 97 116 Er 0.50000000000000 0.43284951831561 0.87500000000000 167.259 > 97 117 Er 0.25000000000000 0.06715048168439 0.12500000000000 167.259 > 101 118 Er 0.75000000000000 0.06715048168439 0.12500000000000 167.259 > 101 119 Er 0.25000000000000 0.06715048168439 0.62500000000000 167.259 > 101 120 Er 0.75000000000000 0.06715048168439 0.62500000000000 167.259 > 101 121 Er 0.25000000000000 0.19332151268362 0.37500000000000 167.259 > 105 122 Er 0.75000000000000 0.19332151268362 0.37500000000000 167.259 > 105 123 Er 0.25000000000000 0.19332151268362 0.87500000000000 167.259 > 105 124 Er 0.75000000000000 0.19332151268362 0.87500000000000 167.259 > 105 125 Er 0.00000000000000 0.30667848731638 0.12500000000000 167.259 > 109 126 Er 0.50000000000000 0.30667848731638 0.12500000000000 167.259 > 109 127 Er 0.00000000000000 0.30667848731638 0.62500000000000 167.259 > 109 128 Er 0.50000000000000 0.30667848731638 0.62500000000000 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5683761 0.0000000 -0.1776371 0.0000000 3.7892314 0.0000000 -0.1776376 0.0000000 3.7596142 -------------------------- Born effective charges -------------------------- 1 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 2 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 3 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 4 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 5 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 6 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 7 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 8 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 9 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 10 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 11 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 12 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 13 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 14 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 15 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 16 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 65, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 69, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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 2026-01-07 20:56:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:56:30]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.277396525094969 -6.501257904999999 0.000000000000000 b 3.277396525094969 6.501257904999999 0.000000000000000 c -3.159189744209552 0.000000000000000 4.906783830020840 Atomic positions (fractional): 1 O 0.35953558868103 0.23255468099357 0.29326127399169 15.999 2 O 0.76744531900643 0.64046441131897 0.20673872600831 15.999 3 O 0.64046441131897 0.76744531900643 0.70673872600831 15.999 4 O 0.23255468099357 0.35953558868103 0.79326127399169 15.999 5 O 0.08295748341002 0.45906091513307 0.29140292432492 15.999 6 O 0.45906091513307 0.08295748341002 0.79140292432492 15.999 7 O 0.91704251658998 0.54093908486693 0.70859707567508 15.999 8 O 0.54093908486693 0.91704251658998 0.20859707567508 15.999 9 Na 0.18027835690248 0.81972164309752 0.25000000000000 22.990 10 Na 0.94420525299652 0.05579474700348 0.25000000000000 22.990 11 Na 0.81972164309752 0.18027835690248 0.75000000000000 22.990 12 Na 0.05579474700348 0.94420525299652 0.75000000000000 22.990 13 Er 0.56715048168439 0.43284951831561 0.75000000000000 167.259 14 Er 0.43284951831561 0.56715048168439 0.25000000000000 167.259 15 Er 0.30667848731638 0.69332151268362 0.75000000000000 167.259 16 Er 0.69332151268362 0.30667848731638 0.25000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.109586100379875 0.000000000000000 0.000000000000000 b 0.000000000000000 13.002515809999998 0.000000000000000 c -6.318379488419104 0.000000000000000 9.813567660041681 Atomic positions (fractional): 1 O 0.14802256741865 0.93650954615627 0.14663063699585 15.999 > 1 2 O 0.64802256741865 0.93650954615627 0.14663063699585 15.999 > 1 3 O 0.14802256741865 0.93650954615627 0.64663063699585 15.999 > 1 4 O 0.64802256741865 0.93650954615627 0.64663063699585 15.999 > 1 5 O 0.35197743258135 0.93650954615627 0.10336936300415 15.999 > 5 6 O 0.85197743258135 0.93650954615627 0.10336936300415 15.999 > 5 7 O 0.35197743258135 0.93650954615627 0.60336936300415 15.999 > 5 8 O 0.85197743258135 0.93650954615627 0.60336936300415 15.999 > 5 9 O 0.10197743258135 0.56349045384373 0.35336936300415 15.999 > 9 10 O 0.60197743258135 0.56349045384373 0.35336936300415 15.999 > 9 11 O 0.10197743258135 0.56349045384373 0.85336936300415 15.999 > 9 12 O 0.60197743258135 0.56349045384373 0.85336936300415 15.999 > 9 13 O 0.39802256741865 0.56349045384373 0.39663063699585 15.999 > 13 14 O 0.89802256741865 0.56349045384373 0.39663063699585 15.999 > 13 15 O 0.39802256741865 0.56349045384373 0.89663063699585 15.999 > 13 16 O 0.89802256741865 0.56349045384373 0.89663063699585 15.999 > 13 17 O 0.38550459963577 0.68805171586152 0.14570146216246 15.999 > 17 18 O 0.88550459963577 0.68805171586152 0.14570146216246 15.999 > 17 19 O 0.38550459963577 0.68805171586152 0.64570146216246 15.999 > 17 20 O 0.88550459963577 0.68805171586152 0.64570146216246 15.999 > 17 21 O 0.13550459963577 0.81194828413848 0.39570146216246 15.999 > 21 22 O 0.63550459963577 0.81194828413848 0.39570146216246 15.999 > 21 23 O 0.13550459963577 0.81194828413848 0.89570146216246 15.999 > 21 24 O 0.63550459963577 0.81194828413848 0.89570146216246 15.999 > 21 25 O 0.36449540036423 0.81194828413848 0.35429853783754 15.999 > 25 26 O 0.86449540036423 0.81194828413848 0.35429853783754 15.999 > 25 27 O 0.36449540036423 0.81194828413848 0.85429853783754 15.999 > 25 28 O 0.86449540036423 0.81194828413848 0.85429853783754 15.999 > 25 29 O 0.11449540036423 0.68805171586152 0.10429853783754 15.999 > 29 30 O 0.61449540036423 0.68805171586152 0.10429853783754 15.999 > 29 31 O 0.11449540036423 0.68805171586152 0.60429853783754 15.999 > 29 32 O 0.61449540036423 0.68805171586152 0.60429853783754 15.999 > 29 33 O 0.39802256741865 0.43650954615627 0.14663063699585 15.999 > 1 34 O 0.89802256741865 0.43650954615627 0.14663063699585 15.999 > 1 35 O 0.39802256741865 0.43650954615627 0.64663063699585 15.999 > 1 36 O 0.89802256741865 0.43650954615627 0.64663063699585 15.999 > 1 37 O 0.10197743258135 0.43650954615627 0.10336936300415 15.999 > 5 38 O 0.60197743258135 0.43650954615627 0.10336936300415 15.999 > 5 39 O 0.10197743258135 0.43650954615627 0.60336936300415 15.999 > 5 40 O 0.60197743258135 0.43650954615627 0.60336936300415 15.999 > 5 41 O 0.35197743258135 0.06349045384373 0.35336936300415 15.999 > 9 42 O 0.85197743258135 0.06349045384373 0.35336936300415 15.999 > 9 43 O 0.35197743258135 0.06349045384373 0.85336936300415 15.999 > 9 44 O 0.85197743258135 0.06349045384373 0.85336936300415 15.999 > 9 45 O 0.14802256741865 0.06349045384373 0.39663063699585 15.999 > 13 46 O 0.64802256741865 0.06349045384373 0.39663063699585 15.999 > 13 47 O 0.14802256741865 0.06349045384373 0.89663063699585 15.999 > 13 48 O 0.64802256741865 0.06349045384373 0.89663063699585 15.999 > 13 49 O 0.13550459963577 0.18805171586152 0.14570146216246 15.999 > 17 50 O 0.63550459963577 0.18805171586152 0.14570146216246 15.999 > 17 51 O 0.13550459963577 0.18805171586152 0.64570146216246 15.999 > 17 52 O 0.63550459963577 0.18805171586152 0.64570146216246 15.999 > 17 53 O 0.38550459963577 0.31194828413848 0.39570146216246 15.999 > 21 54 O 0.88550459963577 0.31194828413848 0.39570146216246 15.999 > 21 55 O 0.38550459963577 0.31194828413848 0.89570146216246 15.999 > 21 56 O 0.88550459963577 0.31194828413848 0.89570146216246 15.999 > 21 57 O 0.11449540036423 0.31194828413848 0.35429853783754 15.999 > 25 58 O 0.61449540036423 0.31194828413848 0.35429853783754 15.999 > 25 59 O 0.11449540036423 0.31194828413848 0.85429853783754 15.999 > 25 60 O 0.61449540036423 0.31194828413848 0.85429853783754 15.999 > 25 61 O 0.36449540036423 0.18805171586152 0.10429853783754 15.999 > 29 62 O 0.86449540036423 0.18805171586152 0.10429853783754 15.999 > 29 63 O 0.36449540036423 0.18805171586152 0.60429853783754 15.999 > 29 64 O 0.86449540036423 0.18805171586152 0.60429853783754 15.999 > 29 65 Na 0.00000000000000 0.81972164309752 0.12500000000000 22.990 > 65 66 Na 0.50000000000000 0.81972164309752 0.12500000000000 22.990 > 65 67 Na 0.00000000000000 0.81972164309752 0.62500000000000 22.990 > 65 68 Na 0.50000000000000 0.81972164309752 0.62500000000000 22.990 > 65 69 Na 0.25000000000000 0.55579474700348 0.12500000000000 22.990 > 69 70 Na 0.75000000000000 0.55579474700348 0.12500000000000 22.990 > 69 71 Na 0.25000000000000 0.55579474700348 0.62500000000000 22.990 > 69 72 Na 0.75000000000000 0.55579474700348 0.62500000000000 22.990 > 69 73 Na 0.25000000000000 0.68027835690248 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.68027835690248 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.68027835690248 0.87500000000000 22.990 > 73 76 Na 0.75000000000000 0.68027835690248 0.87500000000000 22.990 > 73 77 Na 0.00000000000000 0.94420525299652 0.37500000000000 22.990 > 77 78 Na 0.50000000000000 0.94420525299652 0.37500000000000 22.990 > 77 79 Na 0.00000000000000 0.94420525299652 0.87500000000000 22.990 > 77 80 Na 0.50000000000000 0.94420525299652 0.87500000000000 22.990 > 77 81 Na 0.25000000000000 0.31972164309752 0.12500000000000 22.990 > 65 82 Na 0.75000000000000 0.31972164309752 0.12500000000000 22.990 > 65 83 Na 0.25000000000000 0.31972164309752 0.62500000000000 22.990 > 65 84 Na 0.75000000000000 0.31972164309752 0.62500000000000 22.990 > 65 85 Na 0.00000000000000 0.05579474700348 0.12500000000000 22.990 > 69 86 Na 0.50000000000000 0.05579474700348 0.12500000000000 22.990 > 69 87 Na 0.00000000000000 0.05579474700348 0.62500000000000 22.990 > 69 88 Na 0.50000000000000 0.05579474700348 0.62500000000000 22.990 > 69 89 Na 0.00000000000000 0.18027835690248 0.37500000000000 22.990 > 73 90 Na 0.50000000000000 0.18027835690248 0.37500000000000 22.990 > 73 91 Na 0.00000000000000 0.18027835690248 0.87500000000000 22.990 > 73 92 Na 0.50000000000000 0.18027835690248 0.87500000000000 22.990 > 73 93 Na 0.25000000000000 0.44420525299652 0.37500000000000 22.990 > 77 94 Na 0.75000000000000 0.44420525299652 0.37500000000000 22.990 > 77 95 Na 0.25000000000000 0.44420525299652 0.87500000000000 22.990 > 77 96 Na 0.75000000000000 0.44420525299652 0.87500000000000 22.990 > 77 97 Er 0.25000000000000 0.93284951831561 0.37500000000000 167.259 > 97 98 Er 0.75000000000000 0.93284951831561 0.37500000000000 167.259 > 97 99 Er 0.25000000000000 0.93284951831561 0.87500000000000 167.259 > 97 100 Er 0.75000000000000 0.93284951831561 0.87500000000000 167.259 > 97 101 Er 0.00000000000000 0.56715048168439 0.12500000000000 167.259 > 101 102 Er 0.50000000000000 0.56715048168439 0.12500000000000 167.259 > 101 103 Er 0.00000000000000 0.56715048168439 0.62500000000000 167.259 > 101 104 Er 0.50000000000000 0.56715048168439 0.62500000000000 167.259 > 101 105 Er 0.00000000000000 0.69332151268362 0.37500000000000 167.259 > 105 106 Er 0.50000000000000 0.69332151268362 0.37500000000000 167.259 > 105 107 Er 0.00000000000000 0.69332151268362 0.87500000000000 167.259 > 105 108 Er 0.50000000000000 0.69332151268362 0.87500000000000 167.259 > 105 109 Er 0.25000000000000 0.80667848731638 0.12500000000000 167.259 > 109 110 Er 0.75000000000000 0.80667848731638 0.12500000000000 167.259 > 109 111 Er 0.25000000000000 0.80667848731638 0.62500000000000 167.259 > 109 112 Er 0.75000000000000 0.80667848731638 0.62500000000000 167.259 > 109 113 Er 0.00000000000000 0.43284951831561 0.37500000000000 167.259 > 97 114 Er 0.50000000000000 0.43284951831561 0.37500000000000 167.259 > 97 115 Er 0.00000000000000 0.43284951831561 0.87500000000000 167.259 > 97 116 Er 0.50000000000000 0.43284951831561 0.87500000000000 167.259 > 97 117 Er 0.25000000000000 0.06715048168439 0.12500000000000 167.259 > 101 118 Er 0.75000000000000 0.06715048168439 0.12500000000000 167.259 > 101 119 Er 0.25000000000000 0.06715048168439 0.62500000000000 167.259 > 101 120 Er 0.75000000000000 0.06715048168439 0.62500000000000 167.259 > 101 121 Er 0.25000000000000 0.19332151268362 0.37500000000000 167.259 > 105 122 Er 0.75000000000000 0.19332151268362 0.37500000000000 167.259 > 105 123 Er 0.25000000000000 0.19332151268362 0.87500000000000 167.259 > 105 124 Er 0.75000000000000 0.19332151268362 0.87500000000000 167.259 > 105 125 Er 0.00000000000000 0.30667848731638 0.12500000000000 167.259 > 109 126 Er 0.50000000000000 0.30667848731638 0.12500000000000 167.259 > 109 127 Er 0.00000000000000 0.30667848731638 0.62500000000000 167.259 > 109 128 Er 0.50000000000000 0.30667848731638 0.62500000000000 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5683761 0.0000000 -0.1776371 0.0000000 3.7892314 0.0000000 -0.1776376 0.0000000 3.7596142 -------------------------- Born effective charges -------------------------- 1 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 2 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 3 O -2.0962361 -0.0001961 0.3438581 0.0040301 -2.5202625 -0.0020140 0.3081675 0.0244377 -2.3539819 4 O -2.0962361 0.0001961 0.3438581 -0.0040301 -2.5202625 0.0020140 0.3081675 -0.0244377 -2.3539819 5 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 6 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 7 O -2.3518714 0.9628470 -0.0000353 0.9868792 -2.3672618 0.0144768 0.0434130 -0.0263817 -2.3570627 8 O -2.3518714 -0.9628470 -0.0000353 -0.9868792 -2.3672618 -0.0144768 0.0434130 0.0263817 -2.3570627 9 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 10 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 11 Na 1.0942733 0.0000000 0.0121332 0.0000000 0.9627004 0.0000000 0.0098606 0.0000000 1.1008161 12 Na 1.1136806 0.0000000 0.1490384 0.0000000 0.9867664 0.0000000 0.1737067 0.0000000 1.0912686 13 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 14 Er 3.3543770 0.0000000 -0.9513246 0.0000000 3.9560191 0.0000000 -0.9372765 0.0000000 3.6635699 15 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 16 Er 3.3338840 0.0000000 0.1025073 0.0000000 3.8695628 0.0000000 0.0505484 0.0000000 3.5664346 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.70, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/282) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 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 2.610 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.500 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.583 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 16.612 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/282) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 20.021 -15.438 11.105) 27.613 0.637 ( 24.919 -14.466 12.914) 31.575 1.029 ( 41.699 -24.141 18.165) 51.494 2.675 ( 5.734 -0.058 3.685) 6.816 2.841 ( 2.850 1.253 4.417) 5.404 2.984 ( 0.970 0.819 0.713) 1.456 3.210 ( -9.184 9.143 19.711) 23.589 3.623 ( 0.263 -3.257 -0.386) 3.290 4.181 ( -0.310 10.251 -6.056) 11.911 4.516 ( 0.760 -1.557 -6.681) 6.902 4.722 ( 0.259 7.575 1.202) 7.674 4.847 ( 0.143 -5.905 -0.870) 5.971 4.998 ( -2.369 2.241 4.097) 5.236 5.016 ( -3.462 1.279 3.035) 4.778 5.135 ( 1.790 -0.432 1.380) 2.301 5.882 ( -2.056 -4.630 -1.567) 5.303 6.009 ( 4.978 -2.253 -0.667) 5.505 6.263 ( 2.056 -3.928 -0.071) 4.434 7.237 ( -9.493 4.992 19.001) 21.819 7.554 ( -7.729 11.521 4.397) 14.553 7.660 ( 0.597 8.801 0.163) 8.823 7.700 ( -5.457 -6.754 1.407) 8.796 7.729 ( -0.916 0.940 -0.753) 1.513 7.827 ( 1.148 -8.326 0.144) 8.406 8.505 ( 2.936 3.639 -0.252) 4.682 8.556 ( 5.636 4.615 -0.168) 7.286 8.675 ( 4.391 -4.337 -1.292) 6.306 8.957 ( -13.438 -44.705 -10.303) 47.804 9.339 ( -1.587 -3.047 -1.272) 3.664 9.818 ( 1.889 6.586 -10.174) 12.266 10.273 ( 6.514 5.105 -4.031) 9.205 10.398 ( -1.888 -6.387 -4.626) 8.109 10.482 ( 0.175 -5.723 8.133) 9.946 10.798 ( 1.783 3.488 -4.636) 6.069 11.186 ( 1.064 -4.134 -2.608) 5.002 11.423 ( -2.909 -3.998 10.479) 11.587 11.576 ( -0.098 -1.341 -1.180) 1.789 11.799 ( -9.243 1.965 4.719) 10.562 12.053 ( -4.446 11.726 -1.474) 12.627 12.216 ( -10.661 -7.432 -5.264) 14.022 12.562 ( 3.618 1.188 0.780) 3.887 12.619 ( 2.085 -0.159 -0.307) 2.113 12.781 ( -3.251 1.429 3.475) 4.969 13.908 ( 3.094 -0.577 -0.671) 3.218 14.825 ( 8.586 0.276 2.189) 8.865 16.371 ( 15.444 13.375 -14.872) 25.270 16.590 ( -2.426 -2.997 -2.371) 4.527 16.774 ( -2.560 -30.425 -23.993) 38.831 ======================= Grid point 2 (3/282) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 17.164 -13.408 7.998) 23.202 1.220 ( 20.776 -13.633 12.199) 27.682 1.968 ( 36.213 -20.592 14.972) 44.267 2.835 ( 8.113 1.570 6.425) 10.467 2.939 ( 2.890 2.991 6.137) 7.414 3.012 ( 3.007 0.756 3.478) 4.660 3.195 ( -4.064 0.588 6.035) 7.300 3.659 ( 0.776 -5.074 -0.618) 5.171 4.001 ( -0.386 12.925 -9.909) 16.291 4.458 ( 0.975 -4.527 -12.435) 13.269 4.669 ( 0.824 7.553 -2.420) 7.974 4.783 ( -5.184 3.735 -1.770) 6.630 4.978 ( -1.846 6.099 3.681) 7.359 5.085 ( 3.373 -8.414 2.039) 9.291 5.173 ( 0.658 0.038 2.334) 2.425 5.886 ( 1.518 -0.918 -0.054) 1.775 6.109 ( 7.057 -1.844 -1.495) 7.446 6.358 ( 4.672 -7.480 -0.053) 8.819 7.231 ( -3.825 6.033 7.592) 10.424 7.397 ( -8.929 8.625 7.295) 14.399 7.584 ( -1.396 8.118 -0.722) 8.268 7.660 ( -7.956 -5.014 2.317) 9.686 7.706 ( -0.153 1.501 0.053) 1.509 7.873 ( -2.701 -5.805 0.412) 6.416 8.515 ( 3.574 2.834 -4.335) 6.292 8.604 ( 6.386 0.813 -2.841) 7.037 8.822 ( 9.542 -3.508 1.656) 10.300 9.007 ( -9.204 -27.259 -1.089) 28.792 9.315 ( -3.262 -4.895 -2.315) 6.322 9.663 ( 3.315 12.000 -11.392) 16.876 10.345 ( 2.808 -6.845 -6.316) 9.728 10.398 ( 6.177 -2.920 -3.736) 7.787 10.578 ( 0.793 -4.196 2.214) 4.810 10.763 ( 1.556 6.227 0.577) 6.445 11.191 ( -0.178 1.222 0.930) 1.546 11.511 ( -4.808 -4.604 1.631) 6.853 11.568 ( -3.392 0.461 -1.887) 3.909 11.627 ( -3.017 -0.144 1.191) 3.247 11.876 ( -13.083 -1.115 -5.079) 14.078 12.083 ( -10.679 -1.216 10.100) 14.749 12.579 ( 0.808 4.415 -2.653) 5.214 12.626 ( -0.354 1.625 -0.229) 1.679 12.776 ( 3.364 4.694 3.104) 6.556 13.966 ( 4.555 -0.996 -1.254) 4.828 15.020 ( 13.669 0.792 2.565) 13.930 16.320 ( -0.650 7.407 -3.045) 8.035 16.556 ( -2.298 -5.244 -3.374) 6.646 16.719 ( -1.996 -14.711 -14.966) 21.080 ======================= Grid point 3 (4/282) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 12.942 -10.128 4.411) 17.016 1.707 ( 14.779 -11.989 10.819) 21.891 2.686 ( 23.500 -13.735 7.335) 28.190 2.913 ( -2.614 5.662 4.518) 7.701 3.026 ( 7.976 3.364 4.442) 9.729 3.169 ( 3.730 -2.527 6.209) 7.671 3.223 ( 4.371 -1.026 6.301) 7.737 3.707 ( 1.709 -3.687 -1.163) 4.227 3.814 ( 0.021 8.352 -7.955) 11.535 4.378 ( 1.598 -3.456 -13.552) 14.077 4.579 ( -0.807 3.529 -6.963) 7.848 4.654 ( -5.854 8.308 3.181) 10.649 4.939 ( -1.238 5.005 1.924) 5.503 5.150 ( 2.880 -0.754 -6.238) 6.912 5.256 ( 0.537 -6.744 6.895) 9.660 5.957 ( 6.553 0.792 1.740) 6.826 6.220 ( 6.860 -3.598 -1.481) 7.886 6.498 ( 6.037 -6.950 -1.457) 9.320 7.143 ( -6.501 8.803 4.337) 11.772 7.338 ( -3.729 3.512 8.566) 9.981 7.491 ( -2.074 6.069 -0.921) 6.479 7.585 ( -9.500 -4.476 2.197) 10.729 7.702 ( -0.046 1.691 1.704) 2.401 7.847 ( -5.184 -2.683 0.597) 5.868 8.469 ( 1.185 0.816 -9.529) 9.637 8.700 ( 9.311 -1.241 -2.727) 9.781 8.960 ( 0.196 -6.525 -2.262) 6.908 9.110 ( 0.809 -13.512 6.799) 15.148 9.266 ( -4.816 -5.215 -3.614) 7.965 9.580 ( 8.958 10.415 -4.405) 14.426 10.342 ( -1.024 -6.234 -4.307) 7.646 10.446 ( -2.789 -7.228 -4.958) 9.199 10.650 ( 5.497 2.591 -5.746) 8.363 10.758 ( 6.560 7.811 2.263) 10.448 11.174 ( -4.116 3.096 4.756) 7.010 11.371 ( -0.180 3.658 -3.630) 5.156 11.519 ( -5.820 -2.278 -6.833) 9.260 11.617 ( -10.077 -3.861 -0.958) 10.834 11.742 ( -0.179 -7.469 6.918) 10.182 12.059 ( -9.093 -3.642 9.420) 13.590 12.477 ( -3.170 8.150 -3.608) 9.460 12.570 ( -4.970 2.002 1.476) 5.557 12.875 ( 9.481 4.067 1.655) 10.448 14.029 ( 4.209 -1.053 -1.557) 4.610 15.262 ( 15.968 1.230 1.693) 16.104 16.182 ( -8.921 3.964 -0.421) 9.771 16.526 ( -4.475 -5.474 -0.815) 7.117 16.654 ( 0.254 -7.158 -12.295) 14.229 ======================= Grid point 4 (5/282) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.315 -5.664 1.718) 9.410 2.051 ( 7.735 -8.125 7.428) 13.455 2.846 ( -1.902 3.406 -0.082) 3.903 3.008 ( 2.105 -6.584 3.372) 7.691 3.109 ( 5.905 7.038 -0.868) 9.228 3.261 ( 4.963 -0.416 2.012) 5.372 3.458 ( 6.357 -2.317 10.334) 12.351 3.675 ( 0.562 1.325 -6.368) 6.529 3.824 ( 3.807 -2.426 4.374) 6.286 4.305 ( 2.807 -0.585 -10.583) 10.965 4.464 ( -3.324 -0.492 -7.097) 7.852 4.553 ( -3.601 6.889 3.417) 8.491 4.905 ( -0.761 2.761 0.740) 2.958 5.126 ( 0.974 0.117 -3.694) 3.822 5.365 ( 0.846 -4.420 3.403) 5.642 6.081 ( 7.055 1.274 1.894) 7.415 6.350 ( 6.100 -6.543 -0.209) 8.948 6.572 ( 2.090 0.342 -3.333) 3.949 7.050 ( -4.457 3.191 4.887) 7.344 7.348 ( 0.824 4.043 2.666) 4.912 7.430 ( -1.227 2.838 1.659) 3.508 7.492 ( -9.040 -4.340 1.564) 10.149 7.702 ( -0.926 1.252 1.713) 2.315 7.789 ( -3.890 -0.584 0.494) 3.964 8.368 ( -0.342 0.598 -9.377) 9.402 8.842 ( 8.593 -3.688 -0.883) 9.392 8.949 ( -0.926 -1.011 -0.919) 1.650 9.169 ( -7.118 -3.132 -3.538) 8.543 9.298 ( 3.693 -7.410 3.840) 9.126 9.691 ( 11.265 4.395 4.967) 13.073 10.263 ( -6.870 4.600 -5.832) 10.118 10.408 ( -0.982 -12.831 -6.502) 14.418 10.556 ( -2.662 7.324 -0.137) 7.794 10.880 ( 10.214 3.018 -4.485) 11.557 11.134 ( -2.807 1.176 2.389) 3.869 11.292 ( -7.915 4.577 0.439) 9.153 11.425 ( 3.216 -5.143 -1.240) 6.191 11.582 ( -1.752 -0.429 0.661) 1.921 11.870 ( -0.922 -8.382 7.090) 11.018 12.046 ( -3.867 -5.024 2.548) 6.833 12.304 ( -4.694 10.051 -4.212) 11.866 12.495 ( -3.500 2.324 0.685) 4.257 12.997 ( 6.214 1.606 1.694) 6.638 14.074 ( 2.510 -0.697 -1.169) 2.856 15.515 ( 16.634 1.165 0.745) 16.692 15.989 ( -13.195 1.390 -0.027) 13.269 16.494 ( -4.419 -4.390 1.059) 6.318 16.598 ( 1.079 -1.740 -8.065) 8.321 ======================= Grid point 5 (6/282) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 -0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 -0.000 0.000) 0.000 3.037 ( 0.000 -0.000 0.000) 0.000 3.129 ( 0.000 -0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 -0.000 -0.000) 0.000 3.627 ( 0.000 -0.000 0.000) 0.000 3.915 ( -0.000 0.000 -0.000) 0.000 4.276 ( 0.000 -0.000 0.000) 0.000 4.387 ( -0.000 0.000 0.000) 0.000 4.515 ( 0.000 -0.000 -0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 -0.000 0.000) 0.000 5.407 ( 0.000 -0.000 0.000) 0.000 6.147 ( 0.000 -0.000 -0.000) 0.000 6.477 ( -0.000 0.000 -0.000) 0.000 6.509 ( 0.000 -0.000 0.000) 0.000 7.037 ( 0.000 -0.000 -0.000) 0.000 7.354 ( 0.000 -0.000 0.000) 0.000 7.426 ( 0.000 -0.000 0.000) 0.000 7.435 ( -0.000 -0.000 0.000) 0.000 7.696 ( 0.000 -0.000 0.000) 0.000 7.762 ( -0.000 -0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 -0.000) 0.000 8.979 ( -0.000 -0.000 0.000) 0.000 9.063 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 -0.000 0.000) 0.000 9.854 ( 0.000 -0.000 0.000) 0.000 10.082 ( -0.000 0.000 -0.000) 0.000 10.447 ( -0.000 0.000 0.000) 0.000 10.495 ( 0.000 -0.000 -0.000) 0.000 10.903 ( 0.000 -0.000 0.000) 0.000 11.127 ( 0.000 -0.000 -0.000) 0.000 11.219 ( 0.000 -0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.553 ( 0.000 -0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 -0.000) 0.000 12.146 ( 0.000 -0.000 0.000) 0.000 12.459 ( 0.000 -0.000 0.000) 0.000 13.050 ( 0.000 -0.000 0.000) 0.000 14.091 ( 0.000 -0.000 0.000) 0.000 15.752 ( -0.000 -0.000 -0.000) 0.000 15.772 ( 0.000 -0.000 0.000) 0.000 16.484 ( -0.000 -0.000 0.000) 0.000 16.569 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/282) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 19.921 0.000 10.816) 22.668 1.106 ( 24.439 0.000 12.283) 27.352 1.801 ( 41.566 0.000 17.884) 45.250 2.845 ( 9.163 0.000 6.673) 11.336 2.968 ( 4.576 0.000 8.206) 9.395 3.010 ( 1.457 0.000 0.199) 1.470 3.211 ( -8.474 -0.000 7.762) 11.492 3.617 ( 1.198 0.000 -0.287) 1.232 4.130 ( -0.631 -0.000 -10.936) 10.954 4.395 ( -0.431 -0.000 -13.163) 13.170 4.711 ( 0.396 0.000 -11.168) 11.175 4.872 ( -0.776 -0.000 7.773) 7.811 4.971 ( -3.187 -0.000 5.225) 6.120 5.045 ( -0.409 -0.000 2.854) 2.883 5.171 ( 1.620 0.000 0.352) 1.658 5.871 ( 2.111 0.000 0.573) 2.187 6.105 ( 8.318 0.000 -0.738) 8.350 6.289 ( 3.908 0.000 -0.302) 3.919 7.285 ( -6.781 -0.000 13.726) 15.310 7.527 ( -10.470 -0.000 5.357) 11.761 7.537 ( -9.850 -0.000 2.308) 10.117 7.664 ( -1.315 -0.000 -3.243) 3.499 7.751 ( -0.405 -0.000 0.311) 0.511 7.797 ( -0.534 -0.000 1.649) 1.733 8.568 ( 4.803 0.000 -1.980) 5.195 8.571 ( 2.948 0.000 -12.399) 12.745 8.755 ( 1.698 0.000 1.931) 2.572 8.801 ( 9.613 0.000 6.231) 11.456 9.278 ( -2.486 -0.000 -2.405) 3.459 9.774 ( 4.724 0.000 -13.877) 14.659 10.275 ( -0.843 -0.000 -6.667) 6.720 10.371 ( 5.918 0.000 -4.111) 7.206 10.550 ( 5.094 0.000 2.668) 5.751 10.820 ( 3.421 0.000 -0.604) 3.474 11.198 ( 1.392 0.000 1.237) 1.863 11.449 ( -3.571 -0.000 8.918) 9.607 11.563 ( -1.867 -0.000 2.746) 3.321 11.656 ( -11.591 -0.000 -4.542) 12.449 11.868 ( -11.872 -0.000 -8.591) 14.654 12.074 ( -10.902 -0.000 10.404) 15.070 12.612 ( 2.986 0.000 -3.299) 4.449 12.643 ( -2.295 -0.000 0.797) 2.429 12.817 ( 3.503 0.000 3.759) 5.139 13.955 ( 4.583 0.000 -1.462) 4.811 15.027 ( 13.744 0.000 2.686) 14.004 16.419 ( -4.376 -0.000 -5.999) 7.426 16.523 ( -6.254 -0.000 1.426) 6.415 16.538 ( 11.270 0.000 -17.814) 21.079 ======================= Grid point 13 (8/282) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 15.308 -3.744 8.508) 17.909 1.572 ( 18.795 -4.806 10.597) 22.106 2.530 ( 29.778 -5.600 10.183) 31.965 3.001 ( -1.186 5.107 2.688) 5.892 3.060 ( 9.036 1.167 5.643) 10.717 3.110 ( -0.998 -4.451 6.047) 7.574 3.213 ( 3.456 -0.188 8.278) 8.973 3.658 ( 2.972 -1.911 0.888) 3.643 3.963 ( -0.732 8.185 -12.396) 14.873 4.284 ( 0.974 -6.271 -15.044) 16.328 4.575 ( -2.216 -0.357 -12.837) 13.032 4.852 ( -4.399 12.191 8.794) 15.662 4.995 ( -2.789 -0.849 2.390) 3.770 5.106 ( 5.295 -3.417 -0.549) 6.326 5.188 ( -0.823 -1.644 2.114) 2.802 5.951 ( 6.098 -0.831 2.312) 6.574 6.214 ( 8.104 1.950 -2.066) 8.588 6.384 ( 5.987 -6.044 -0.801) 8.545 7.282 ( -6.276 8.082 6.100) 11.913 7.379 ( -8.195 1.929 8.995) 12.320 7.460 ( -11.256 -7.195 3.141) 13.723 7.591 ( -2.180 2.658 -3.486) 4.896 7.736 ( -0.790 2.334 2.145) 3.267 7.805 ( -3.194 -2.544 1.680) 4.415 8.475 ( 0.170 0.250 -10.512) 10.517 8.633 ( 2.506 -5.911 -1.830) 6.676 8.836 ( 3.943 -3.640 1.500) 5.572 9.029 ( 10.494 -1.534 5.653) 12.018 9.216 ( -2.415 -1.282 -3.255) 4.252 9.725 ( 9.601 6.480 -11.259) 16.153 10.226 ( -0.820 -5.762 -5.232) 7.826 10.369 ( -3.967 -2.725 -0.805) 4.880 10.694 ( 15.646 2.072 -7.192) 17.344 10.875 ( 3.375 5.347 3.361) 7.160 11.201 ( -4.700 0.257 3.256) 5.723 11.402 ( -8.090 0.690 -7.879) 11.314 11.485 ( -1.279 -1.707 -1.339) 2.518 11.557 ( -5.194 -2.581 2.181) 6.197 11.680 ( -4.222 -1.345 1.611) 4.715 12.018 ( -12.210 -1.491 12.285) 17.384 12.567 ( -5.809 3.204 0.943) 6.701 12.593 ( -0.555 0.748 -4.339) 4.437 12.931 ( 6.688 2.319 3.926) 8.094 14.013 ( 4.455 -0.731 -1.823) 4.868 15.277 ( 16.079 0.542 1.613) 16.169 16.238 ( -11.654 2.644 -1.273) 12.018 16.451 ( -6.562 -3.393 1.662) 7.572 16.565 ( 9.657 -3.536 -15.121) 18.287 ======================= Grid point 14 (9/282) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 10.102 -2.625 6.106) 12.092 1.945 ( 12.129 -5.253 8.721) 15.835 2.879 ( 3.938 -1.450 -2.478) 4.873 2.958 ( 0.056 2.777 3.616) 4.560 3.154 ( 2.862 -2.859 -0.227) 4.052 3.243 ( 5.062 0.247 5.892) 7.772 3.423 ( 6.636 -1.890 10.364) 12.451 3.742 ( 3.628 4.160 -2.314) 5.985 3.805 ( 2.410 2.010 -2.370) 3.933 4.224 ( 2.825 -8.004 -13.880) 16.270 4.403 ( -4.417 -2.655 -14.119) 15.030 4.768 ( -4.200 14.759 9.829) 18.223 4.959 ( -1.600 2.678 -0.254) 3.130 5.145 ( 2.056 2.039 -1.609) 3.313 5.273 ( 0.825 -7.086 5.255) 8.860 6.090 ( 6.819 -0.720 2.414) 7.269 6.289 ( 6.297 -0.251 -2.842) 6.913 6.515 ( 5.732 -6.442 -2.989) 9.126 7.133 ( -8.687 7.174 4.753) 12.227 7.372 ( -10.289 -5.790 2.977) 12.176 7.404 ( -1.924 0.972 8.591) 8.857 7.510 ( -0.518 3.480 -2.513) 4.324 7.726 ( -1.934 1.598 1.994) 3.205 7.775 ( -3.557 -1.084 1.249) 3.923 8.367 ( -1.027 -0.410 -9.467) 9.532 8.712 ( -0.641 -9.969 3.195) 10.488 8.950 ( 7.641 0.807 0.961) 7.744 9.118 ( -5.691 -2.992 -1.286) 6.557 9.268 ( 10.415 1.271 2.746) 10.846 9.771 ( 12.609 5.154 -4.656) 14.395 10.226 ( -2.953 -8.930 -4.457) 10.408 10.287 ( -6.185 -1.204 -0.738) 6.344 10.707 ( 2.043 11.223 -7.045) 13.407 10.943 ( 12.684 3.886 -7.126) 15.059 11.151 ( -3.966 -0.921 2.092) 4.577 11.248 ( -8.974 -5.925 -3.747) 11.387 11.431 ( 1.592 3.202 0.835) 3.672 11.577 ( 0.350 -0.210 3.968) 3.989 11.748 ( 0.460 -6.357 5.763) 8.592 11.967 ( -8.472 -4.457 6.176) 11.392 12.436 ( -5.952 6.674 -1.303) 9.037 12.522 ( -2.454 0.935 -3.101) 4.063 13.040 ( 3.710 3.011 5.206) 7.067 14.061 ( 3.080 -0.847 -1.485) 3.523 15.532 ( 16.624 0.863 0.182) 16.647 16.011 ( -14.427 1.337 -1.057) 14.527 16.413 ( -5.242 -4.917 3.117) 7.834 16.584 ( 7.764 -0.524 -11.143) 13.592 ======================= Grid point 15 (10/282) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 3.836 1.536 4.322) 5.979 2.176 ( 5.413 -1.111 4.589) 7.182 2.834 ( -1.110 2.041 -1.881) 2.990 2.966 ( -3.532 -4.384 0.487) 5.651 3.174 ( 0.607 0.673 -3.858) 3.963 3.309 ( -1.172 -0.163 0.888) 1.480 3.578 ( 2.810 -0.048 2.972) 4.090 3.668 ( 1.540 4.981 -2.371) 5.728 3.912 ( 2.417 -0.326 2.133) 3.240 4.222 ( -3.796 -5.571 -7.037) 9.745 4.243 ( 3.303 -10.657 -11.814) 16.250 4.704 ( -2.511 15.581 11.401) 19.469 4.918 ( -0.688 2.762 0.449) 2.881 5.145 ( 0.930 3.410 1.237) 3.745 5.371 ( 0.166 -4.490 3.210) 5.521 6.159 ( 0.258 1.262 -1.091) 1.688 6.375 ( 4.371 -6.835 -1.395) 8.232 6.558 ( 0.863 0.483 -3.890) 4.014 7.038 ( -4.657 1.212 3.429) 5.909 7.303 ( -8.044 -5.806 2.845) 10.320 7.437 ( 0.195 3.342 2.664) 4.279 7.495 ( 5.220 4.023 -1.667) 6.798 7.695 ( -2.448 0.110 1.704) 2.985 7.757 ( -0.404 -0.785 0.023) 0.884 8.296 ( -0.443 -1.410 -2.310) 2.742 8.822 ( -3.186 -8.797 8.968) 12.960 9.008 ( -6.491 0.023 -0.948) 6.559 9.078 ( 8.337 2.478 0.585) 8.717 9.418 ( 9.151 4.146 0.717) 10.072 9.902 ( 4.665 4.727 2.843) 7.224 10.041 ( -10.887 -4.133 -5.745) 12.985 10.323 ( 7.095 -7.320 -7.205) 12.483 10.620 ( 1.717 7.843 1.102) 8.104 10.947 ( 0.031 4.149 -3.800) 5.626 11.145 ( 4.787 1.243 -5.455) 7.363 11.171 ( -3.493 -3.728 -0.727) 5.160 11.489 ( 3.214 -0.680 2.510) 4.135 11.592 ( -3.347 3.901 5.210) 7.319 11.866 ( 1.145 -7.778 4.817) 9.220 11.989 ( 1.471 -7.165 0.801) 7.358 12.270 ( -2.861 8.706 -5.561) 10.719 12.461 ( -2.650 -0.015 0.222) 2.659 13.081 ( -2.065 3.377 4.725) 6.164 14.086 ( 0.733 -0.481 -0.486) 1.003 15.753 ( -5.934 0.275 -1.081) 6.038 15.774 ( 4.962 0.099 -1.034) 5.070 16.438 ( -1.322 -4.148 4.981) 6.615 16.600 ( 7.177 2.501 -6.508) 10.006 ======================= Grid point 16 (11/282) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -3.341 7.652 2.775) 8.799 2.182 ( -2.204 8.246 -3.918) 9.392 2.810 ( 0.996 -1.034 -1.792) 2.296 2.967 ( -5.394 -9.835 2.322) 11.455 3.103 ( -1.940 3.537 -3.955) 5.650 3.243 ( -6.702 -1.441 -1.312) 6.980 3.501 ( -4.436 3.911 -10.732) 12.254 3.701 ( 0.837 2.989 5.692) 6.483 3.863 ( -2.640 2.567 -4.503) 5.817 4.211 ( 1.493 -11.424 -3.036) 11.914 4.328 ( 2.339 -9.257 -0.926) 9.593 4.675 ( -1.965 13.058 12.203) 17.980 4.905 ( 0.257 2.592 1.279) 2.902 5.145 ( -0.685 2.484 3.299) 4.186 5.403 ( -0.583 0.382 0.600) 0.919 6.070 ( -6.893 0.071 -3.461) 7.714 6.429 ( -4.384 -0.346 -1.502) 4.647 6.524 ( 1.863 -1.591 0.382) 2.480 7.019 ( -0.089 -1.742 -1.651) 2.402 7.276 ( -4.516 -5.625 2.076) 7.506 7.401 ( -1.166 0.847 -2.755) 3.109 7.563 ( 8.558 4.039 -2.070) 9.687 7.690 ( 0.650 -0.386 -1.011) 1.263 7.791 ( 4.501 -0.486 -0.100) 4.528 8.343 ( 0.325 -2.495 7.874) 8.266 8.845 ( -10.905 -1.315 4.325) 11.805 8.943 ( -2.257 -2.036 5.949) 6.681 9.203 ( 6.739 1.219 3.215) 7.565 9.482 ( 8.069 12.794 -2.425) 15.319 9.667 ( -11.905 3.115 -9.027) 15.261 10.157 ( 5.066 -8.422 7.896) 12.607 10.419 ( 4.956 -6.540 -3.752) 9.023 10.630 ( 4.386 9.781 3.021) 11.137 10.878 ( -5.733 2.805 2.177) 6.743 11.133 ( 1.903 1.695 -2.198) 3.365 11.185 ( 5.394 -7.301 -7.879) 12.020 11.516 ( -2.787 5.260 5.193) 7.900 11.587 ( 2.586 0.446 1.896) 3.237 11.960 ( 3.407 1.185 -2.967) 4.671 12.078 ( -0.231 -3.760 -0.024) 3.767 12.184 ( 5.996 -1.107 -1.721) 6.336 12.458 ( 1.163 -2.093 0.174) 2.400 13.011 ( -8.456 3.349 2.787) 9.512 14.079 ( -2.097 -0.149 0.509) 2.163 15.500 ( -16.408 -0.739 -1.611) 16.504 15.966 ( 11.389 -1.640 -0.903) 11.541 16.521 ( 2.502 -0.398 5.277) 5.854 16.651 ( 7.672 4.517 -0.086) 8.903 ======================= Grid point 17 (12/282) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -9.197 13.778 0.468) 16.572 1.922 ( -9.849 15.352 -9.868) 20.738 2.830 ( 0.352 -4.134 -2.608) 4.901 2.897 ( -12.791 6.448 -2.066) 14.472 2.970 ( -5.211 0.574 -6.332) 8.221 3.176 ( -4.194 -3.090 0.917) 5.289 3.230 ( -8.839 1.364 -11.040) 14.208 3.723 ( -1.561 1.087 5.303) 5.634 3.794 ( 0.485 3.445 -1.204) 3.682 4.333 ( 4.222 -10.829 0.104) 11.623 4.414 ( -0.278 -9.352 0.268) 9.360 4.695 ( -0.765 6.692 12.359) 14.075 4.902 ( 0.353 1.216 -0.132) 1.273 5.154 ( -2.102 0.367 4.620) 5.089 5.358 ( -0.898 5.895 -2.771) 6.575 5.931 ( -6.984 -1.991 -2.167) 7.579 6.301 ( -6.591 5.354 0.373) 8.499 6.557 ( -2.329 0.089 1.332) 2.684 7.036 ( 3.634 -4.653 -4.055) 7.163 7.275 ( -0.353 -4.630 -3.599) 5.875 7.380 ( -1.473 -6.546 -0.847) 6.763 7.632 ( 6.710 0.892 -3.324) 7.541 7.692 ( 1.712 0.595 -1.801) 2.555 7.887 ( 7.947 2.507 0.134) 8.334 8.444 ( -2.232 -2.468 8.727) 9.340 8.705 ( -10.990 0.321 2.718) 11.326 8.977 ( -4.244 -1.625 3.244) 5.584 9.313 ( -0.382 -2.991 8.236) 8.770 9.406 ( 7.572 17.976 -3.980) 19.908 9.497 ( 0.054 5.872 -3.222) 6.698 10.361 ( 4.840 -3.295 5.299) 7.897 10.506 ( -0.871 -4.072 6.921) 8.077 10.639 ( 1.669 2.255 -4.464) 5.273 10.748 ( -6.228 8.596 4.625) 11.579 11.121 ( 4.201 -3.338 -9.710) 11.094 11.293 ( 2.735 -5.522 2.231) 6.554 11.554 ( 2.616 2.524 8.868) 9.584 11.659 ( 8.242 1.594 1.299) 8.494 11.880 ( 1.415 8.987 -7.514) 11.799 12.109 ( 5.378 1.337 -4.320) 7.027 12.339 ( 4.930 -8.499 2.657) 10.178 12.528 ( 6.263 -3.602 -2.716) 7.718 12.843 ( -13.381 1.027 2.013) 13.570 14.037 ( -4.339 -0.230 0.812) 4.420 15.243 ( -15.633 -1.096 -1.997) 15.798 16.121 ( 6.642 -3.981 -0.209) 7.746 16.603 ( 4.129 4.138 3.450) 6.788 16.765 ( 7.748 6.761 7.553) 12.759 ======================= Grid point 18 (13/282) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -12.809 19.407 -2.745) 23.414 1.485 ( -14.858 19.845 -11.623) 27.380 2.376 ( -24.214 30.116 -9.292) 39.745 2.787 ( -5.333 -4.773 -5.911) 9.283 2.894 ( -2.561 -2.506 -4.148) 5.482 2.990 ( -5.133 -1.407 -7.067) 8.846 3.197 ( -0.374 -0.565 -1.243) 1.416 3.752 ( -0.247 5.342 2.590) 5.941 3.814 ( 0.117 -8.584 5.204) 10.038 4.467 ( -3.246 -5.273 6.340) 8.862 4.492 ( 5.721 -11.815 -3.074) 13.482 4.791 ( 1.331 1.931 12.067) 12.293 4.892 ( -0.266 -2.839 -3.299) 4.361 5.153 ( -3.219 -0.116 3.342) 4.642 5.234 ( -1.359 8.694 -6.483) 10.930 5.875 ( -1.671 -2.262 0.658) 2.888 6.174 ( -5.783 5.621 1.825) 8.268 6.477 ( -4.164 6.810 0.009) 7.982 7.118 ( 3.656 -8.025 -2.832) 9.262 7.280 ( 3.835 -6.410 -7.833) 10.823 7.424 ( -2.437 -11.239 0.725) 11.523 7.688 ( 2.998 -1.341 -1.513) 3.616 7.709 ( 4.454 1.226 -2.069) 5.062 7.964 ( 5.735 5.929 -0.026) 8.249 8.463 ( -5.536 -3.942 2.897) 7.388 8.578 ( -8.127 -2.231 0.475) 8.441 8.877 ( -6.421 3.478 -0.758) 7.341 9.415 ( 3.234 11.031 6.552) 13.231 9.436 ( 5.899 13.486 -1.831) 14.833 9.480 ( 7.447 -1.648 11.149) 13.508 10.429 ( -5.946 0.859 -0.137) 6.009 10.447 ( -5.636 6.185 5.839) 10.203 10.655 ( 1.403 -6.456 3.298) 7.384 10.703 ( 5.530 10.501 -5.438) 13.055 11.150 ( 3.311 -4.253 -2.343) 5.877 11.430 ( 5.083 -8.856 6.042) 11.865 11.606 ( -2.208 1.722 5.116) 5.832 11.742 ( -0.831 11.629 -3.371) 12.136 11.903 ( 15.693 2.105 2.314) 16.002 12.115 ( 8.961 3.205 -10.287) 14.014 12.482 ( 2.621 -7.763 1.198) 8.281 12.611 ( 0.214 -0.115 0.209) 0.320 12.690 ( -5.601 -5.858 0.307) 8.111 13.973 ( -5.020 -0.491 0.565) 5.076 15.006 ( -13.354 -0.891 -2.360) 13.590 16.218 ( 0.274 -5.935 0.974) 6.021 16.649 ( 3.342 6.246 2.633) 7.557 16.922 ( 8.243 10.951 13.461) 19.211 ======================= Grid point 19 (14/282) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -14.583 24.270 -5.252) 28.797 0.968 ( -13.438 26.628 -10.457) 31.606 1.609 ( -23.446 45.350 -9.284) 51.890 2.673 ( -5.086 -0.779 -3.424) 6.180 2.807 ( -2.816 -2.889 -4.918) 6.361 2.941 ( -0.944 -3.670 -3.113) 4.904 3.153 ( -0.115 1.109 -6.661) 6.754 3.712 ( 0.169 7.606 0.633) 7.634 3.968 ( -0.257 -14.896 5.199) 15.779 4.509 ( -2.518 -6.026 2.876) 7.136 4.622 ( 2.900 -4.144 1.336) 5.231 4.877 ( 0.681 -5.576 -3.992) 6.891 4.923 ( -0.417 -1.201 10.362) 10.440 5.079 ( -0.454 7.957 -6.201) 10.098 5.132 ( -1.151 -0.287 -2.027) 2.349 5.906 ( 1.762 -1.201 1.599) 2.666 6.080 ( -2.934 6.109 2.290) 7.154 6.363 ( -2.311 8.106 -0.328) 8.436 7.167 ( 1.827 -4.334 -5.407) 7.167 7.362 ( 4.973 -12.324 -4.804) 14.131 7.483 ( -2.494 -12.919 0.163) 13.158 7.720 ( 0.840 -0.252 1.301) 1.569 7.756 ( 4.443 -0.112 -2.690) 5.195 7.962 ( 1.560 8.703 -0.218) 8.844 8.423 ( -4.529 -6.160 -1.424) 7.777 8.507 ( -4.549 -3.387 0.386) 5.685 8.768 ( -2.186 6.981 0.229) 7.319 9.426 ( 3.824 8.547 -0.634) 9.385 9.455 ( 6.896 10.275 7.093) 14.264 9.746 ( 10.556 4.571 14.819) 18.760 10.263 ( -6.745 2.666 0.900) 7.309 10.449 ( 0.383 1.473 -0.072) 1.524 10.617 ( 2.659 10.911 -6.728) 13.092 10.735 ( 0.269 -3.736 1.749) 4.134 11.235 ( 3.222 0.636 6.530) 7.309 11.537 ( -3.756 6.407 -7.109) 10.281 11.625 ( -1.476 7.332 2.917) 8.028 11.687 ( 8.716 -11.659 4.637) 15.277 11.949 ( 1.241 0.011 -9.472) 9.553 12.277 ( 11.001 0.657 4.769) 12.008 12.541 ( -1.393 -1.782 3.499) 4.167 12.599 ( 1.548 -2.587 0.137) 3.018 12.743 ( 4.373 -3.273 -2.956) 6.211 13.911 ( -3.793 -0.618 0.170) 3.847 14.819 ( -8.417 -0.437 -1.933) 8.647 16.234 ( -6.632 -6.489 2.648) 9.649 16.665 ( 2.235 5.985 1.578) 6.581 17.124 ( 10.277 14.143 20.073) 26.619 ======================= Grid point 20 (15/282) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.000 30.261 -0.000) 30.261 0.549 ( -0.000 35.104 -0.000) 35.104 0.919 ( -0.000 58.813 -0.000) 58.813 2.613 ( -0.000 0.273 -0.000) 0.273 2.781 ( 0.000 -2.515 0.000) 2.515 2.926 ( 0.000 -2.885 0.000) 2.885 3.066 ( -0.000 5.286 -0.000) 5.286 3.661 ( -0.000 6.258 -0.000) 6.258 4.108 ( 0.000 -14.719 0.000) 14.719 4.533 ( 0.000 -0.232 0.000) 0.232 4.660 ( 0.000 -2.970 0.000) 2.970 4.923 ( -0.000 11.005 -0.000) 11.005 4.925 ( 0.000 -9.746 0.000) 9.746 5.049 ( 0.000 -2.862 0.000) 2.862 5.101 ( -0.000 0.510 -0.000) 0.510 5.948 ( 0.000 -1.449 0.000) 1.449 6.042 ( -0.000 4.533 -0.000) 4.533 6.287 ( -0.000 6.445 -0.000) 6.445 7.163 ( 0.000 -1.548 0.000) 1.548 7.483 ( 0.000 -13.751 0.000) 13.751 7.560 ( 0.000 -12.311 0.000) 12.311 7.737 ( 0.000 -0.228 0.000) 0.228 7.778 ( -0.000 1.136 -0.000) 1.136 7.889 ( -0.000 11.097 -0.000) 11.097 8.424 ( 0.000 -6.332 0.000) 6.332 8.495 ( 0.000 -1.882 0.000) 1.882 8.699 ( -0.000 6.983 -0.000) 6.983 9.394 ( -0.000 6.153 -0.000) 6.153 9.603 ( 0.000 -8.284 0.000) 8.284 9.941 ( -0.000 5.710 -0.000) 5.710 10.237 ( -0.000 2.305 -0.000) 2.305 10.403 ( -0.000 2.897 -0.000) 2.897 10.532 ( -0.000 6.480 -0.000) 6.480 10.773 ( 0.000 -5.137 0.000) 5.137 11.291 ( -0.000 14.149 -0.000) 14.149 11.389 ( 0.000 -1.426 0.000) 1.426 11.590 ( -0.000 1.993 -0.000) 1.993 11.857 ( -0.000 2.470 -0.000) 2.470 11.941 ( 0.000 -17.144 0.000) 17.144 12.347 ( -0.000 2.751 -0.000) 2.751 12.581 ( 0.000 -0.152 0.000) 0.152 12.684 ( 0.000 -1.867 0.000) 1.867 12.782 ( 0.000 -1.808 0.000) 1.808 13.882 ( 0.000 -0.451 0.000) 0.451 14.743 ( 0.000 -0.245 0.000) 0.245 16.205 ( 0.000 -3.353 0.000) 3.353 16.651 ( -0.000 4.577 -0.000) 4.577 17.372 ( -0.000 1.012 -0.000) 1.012 ======================= Grid point 23 (16/282) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 11.040 0.000 8.202) 13.753 1.902 ( 13.821 0.000 8.814) 16.393 2.856 ( 7.700 0.000 -1.530) 7.850 3.022 ( -0.502 -0.000 -1.218) 1.317 3.087 ( -0.352 -0.000 4.645) 4.658 3.253 ( 5.863 0.000 5.673) 8.158 3.407 ( 6.529 0.000 10.563) 12.417 3.754 ( 6.416 0.000 5.559) 8.490 3.866 ( -0.196 -0.000 -11.474) 11.475 4.138 ( 2.707 0.000 -14.188) 14.444 4.384 ( -5.151 -0.000 -14.332) 15.229 4.942 ( -3.112 -0.000 0.505) 3.153 4.946 ( -2.436 -0.000 9.023) 9.346 5.172 ( -2.940 -0.000 3.378) 4.478 5.190 ( 6.321 0.000 0.462) 6.338 6.077 ( 6.250 0.000 2.901) 6.891 6.313 ( 6.799 0.000 -4.809) 8.328 6.440 ( 6.317 0.000 -1.488) 6.490 7.240 ( -10.520 -0.000 1.846) 10.681 7.271 ( -10.493 -0.000 6.026) 12.100 7.417 ( -2.215 -0.000 10.152) 10.391 7.541 ( -0.272 -0.000 -3.614) 3.624 7.740 ( -2.261 -0.000 2.094) 3.082 7.765 ( -3.706 -0.000 1.853) 4.144 8.363 ( -1.476 -0.000 -9.118) 9.237 8.624 ( -0.313 -0.000 4.063) 4.075 8.958 ( 9.613 0.000 1.239) 9.693 9.092 ( -4.924 -0.000 -0.119) 4.925 9.284 ( 11.457 0.000 2.482) 11.723 9.818 ( 13.191 0.000 -11.293) 17.365 10.154 ( -0.570 -0.000 -2.569) 2.632 10.269 ( -8.610 -0.000 2.531) 8.974 10.831 ( 7.157 0.000 -11.116) 13.221 10.975 ( 11.524 0.000 -8.397) 14.259 11.086 ( -9.819 -0.000 -0.190) 9.821 11.228 ( -5.448 -0.000 2.492) 5.991 11.457 ( 0.713 0.000 -2.166) 2.280 11.574 ( 0.232 0.000 5.392) 5.397 11.698 ( 2.757 0.000 4.607) 5.368 11.929 ( -11.746 -0.000 8.610) 14.564 12.496 ( -10.314 -0.000 8.196) 13.174 12.522 ( 1.778 0.000 -12.807) 12.930 13.066 ( 2.829 0.000 6.310) 6.915 14.054 ( 3.362 0.000 -1.556) 3.705 15.539 ( 16.552 0.000 -0.008) 16.552 16.023 ( -15.016 -0.000 -1.582) 15.099 16.371 ( -4.644 -0.000 3.244) 5.665 16.579 ( 9.733 0.000 -11.466) 15.040 ======================= Grid point 24 (17/282) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 6.320 1.202 7.510) 9.889 2.155 ( 8.001 -1.148 7.217) 10.836 2.843 ( -1.846 -0.671 -3.950) 4.411 2.966 ( -2.562 3.393 -1.864) 4.642 3.125 ( -2.256 -4.785 -0.757) 5.344 3.322 ( -0.372 0.865 -0.127) 0.950 3.579 ( 4.587 0.036 6.531) 7.981 3.758 ( 1.372 5.134 -7.171) 8.925 3.907 ( 4.461 -0.255 3.838) 5.890 4.102 ( 3.755 -6.463 -8.796) 11.543 4.153 ( -6.614 -2.529 -13.034) 14.833 4.894 ( -2.508 5.375 5.261) 7.928 4.988 ( -0.053 7.835 6.663) 10.285 5.175 ( -2.068 -1.707 4.269) 5.041 5.293 ( 3.231 -3.506 1.839) 5.111 6.163 ( 0.572 -0.816 0.836) 1.301 6.320 ( 2.979 -0.255 -6.515) 7.168 6.526 ( 5.298 -2.817 -3.379) 6.887 7.089 ( -8.044 4.683 3.306) 9.878 7.207 ( -9.313 -5.908 5.121) 12.160 7.481 ( 0.346 1.704 4.855) 5.157 7.543 ( 5.566 1.830 -1.983) 6.185 7.706 ( -3.295 1.475 1.579) 3.940 7.736 ( -1.969 -1.924 0.738) 2.851 8.276 ( -1.004 -0.829 -3.559) 3.790 8.714 ( -0.423 -4.096 10.868) 11.622 8.999 ( -7.429 -0.550 0.564) 7.471 9.114 ( 9.077 1.480 1.130) 9.266 9.476 ( 9.889 2.557 4.216) 11.050 9.891 ( 5.000 -3.922 -6.177) 8.862 10.082 ( -5.744 8.250 -1.475) 10.160 10.219 ( 3.566 -7.203 -5.184) 9.564 10.726 ( 0.035 5.437 -4.685) 7.177 10.965 ( -4.630 -2.285 -3.562) 6.273 11.086 ( 13.904 -2.439 -16.297) 21.560 11.228 ( -2.665 4.690 8.749) 10.278 11.477 ( 2.799 -0.865 0.154) 2.933 11.628 ( -3.456 -0.259 9.836) 10.428 11.798 ( 2.037 1.308 2.452) 3.446 11.879 ( -0.423 -6.939 2.293) 7.320 12.379 ( -1.377 4.996 -9.887) 11.163 12.450 ( -6.102 -1.538 4.692) 7.850 13.128 ( -2.885 1.963 7.133) 7.941 14.079 ( 1.182 -0.306 -0.829) 1.476 15.761 ( -7.635 0.682 -1.869) 7.890 15.772 ( 5.673 -0.427 -1.621) 5.916 16.387 ( 0.668 -1.931 4.993) 5.395 16.627 ( 9.259 0.888 -7.407) 11.891 ======================= Grid point 25 (18/282) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.776 6.852 6.493) 9.472 2.279 ( 2.019 3.724 2.039) 4.701 2.789 ( -1.195 -3.853 -4.982) 6.411 2.868 ( -6.224 0.163 0.458) 6.243 3.086 ( -4.952 -4.702 -1.516) 6.995 3.248 ( -4.456 1.283 -3.904) 6.061 3.585 ( -2.425 6.657 -10.393) 12.578 3.729 ( 1.937 -0.063 3.471) 3.975 3.910 ( -1.349 3.762 -3.629) 5.398 4.042 ( 3.868 -8.978 -8.489) 12.947 4.187 ( 0.169 -8.844 2.466) 9.183 4.876 ( -3.382 10.217 10.710) 15.183 4.972 ( -0.247 7.127 4.144) 8.247 5.185 ( -2.200 1.320 2.865) 3.846 5.379 ( 1.107 -3.009 3.600) 4.820 6.082 ( -7.024 1.063 -4.874) 8.615 6.332 ( 0.366 -7.205 -3.431) 7.989 6.555 ( 2.418 1.799 -3.319) 4.483 7.002 ( -3.812 0.468 1.787) 4.236 7.179 ( -6.859 -6.500 4.524) 10.477 7.451 ( -2.363 4.352 -2.665) 5.624 7.606 ( 4.287 1.280 -1.955) 4.883 7.691 ( 1.457 0.734 -0.167) 1.639 7.774 ( 6.169 -1.498 0.138) 6.350 8.301 ( 0.795 -2.479 6.017) 6.557 8.823 ( -6.409 -1.338 10.572) 12.435 8.909 ( -6.121 -1.719 5.245) 8.242 9.209 ( 2.438 -0.266 0.382) 2.482 9.609 ( 6.048 5.999 2.462) 8.867 9.794 ( -4.269 6.728 -6.675) 10.394 10.051 ( 5.219 -1.534 4.519) 7.072 10.317 ( 8.593 -7.235 -7.549) 13.534 10.717 ( -0.059 2.470 4.941) 5.524 10.905 ( -0.525 -1.362 -3.812) 4.082 11.104 ( 9.142 -2.512 -17.108) 19.559 11.217 ( -0.084 8.803 5.187) 10.218 11.541 ( 2.291 -1.691 1.257) 3.112 11.633 ( -3.695 4.899 8.345) 10.358 11.877 ( 2.264 -8.375 4.576) 9.809 12.010 ( 6.784 -4.001 -1.528) 8.023 12.226 ( 2.513 3.364 -13.126) 13.781 12.440 ( -3.688 -0.234 7.036) 7.947 13.079 ( -8.719 4.428 5.738) 11.338 14.072 ( -2.020 -0.599 -0.348) 2.135 15.493 ( -16.133 -0.122 -2.494) 16.325 15.940 ( 9.551 -1.531 -1.418) 9.776 16.507 ( 5.428 -0.944 6.127) 8.240 16.711 ( 10.401 2.839 -2.710) 11.116 ======================= Grid point 26 (19/282) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -4.968 14.452 4.527) 15.938 2.155 ( -5.868 13.983 -6.956) 16.684 2.754 ( -2.323 -6.954 -6.613) 9.873 2.827 ( -5.810 -5.704 5.195) 9.658 3.052 ( -2.388 -2.687 -0.519) 3.632 3.114 ( -6.907 0.816 -1.767) 7.175 3.305 ( -8.312 8.074 -14.587) 18.629 3.777 ( -0.635 3.613 3.885) 5.343 3.845 ( 1.360 3.758 -2.289) 4.605 4.138 ( 7.917 -11.694 -8.264) 16.362 4.277 ( -2.317 -9.406 5.125) 10.960 4.826 ( -5.231 10.226 10.058) 15.268 4.962 ( -0.931 5.252 4.015) 6.676 5.162 ( -2.871 0.301 2.967) 4.140 5.428 ( 0.700 2.968 2.244) 3.786 5.906 ( -7.767 -1.046 -4.547) 9.061 6.322 ( -4.798 -4.124 -1.732) 6.559 6.546 ( 1.816 1.101 -1.303) 2.491 6.989 ( 0.095 -2.077 -0.931) 2.278 7.182 ( -4.820 -7.286 2.976) 9.229 7.339 ( -2.984 1.518 -4.864) 5.905 7.620 ( 1.863 -1.970 -3.142) 4.150 7.708 ( 2.997 0.920 -2.417) 3.959 7.922 ( 11.105 2.009 0.234) 11.288 8.398 ( -2.220 -3.063 7.573) 8.465 8.722 ( -12.001 2.007 3.447) 12.647 8.936 ( -3.752 -3.403 5.501) 7.478 9.212 ( -5.616 -6.809 3.651) 9.552 9.588 ( 3.984 10.536 -0.889) 11.299 9.745 ( 10.499 17.654 0.431) 20.545 10.259 ( 6.037 -8.933 9.767) 14.548 10.420 ( 5.092 -5.026 -3.109) 7.800 10.685 ( -9.072 2.768 4.900) 10.675 10.871 ( 2.057 2.812 -3.428) 4.888 11.077 ( 5.642 -2.755 -16.465) 17.622 11.269 ( 6.805 5.192 4.628) 9.731 11.596 ( 1.483 1.978 6.857) 7.289 11.669 ( 4.187 0.536 3.481) 5.472 11.995 ( 2.321 5.629 -6.943) 9.234 12.048 ( 3.399 -8.673 2.800) 9.727 12.251 ( 9.777 -4.152 -6.004) 12.201 12.479 ( 1.043 -1.542 3.899) 4.321 12.911 ( -13.171 6.755 3.533) 15.217 14.021 ( -5.154 -1.715 -0.464) 5.452 15.231 ( -15.071 -0.445 -2.515) 15.286 16.062 ( 5.102 -3.513 -0.514) 6.216 16.650 ( 5.805 2.099 4.904) 7.884 16.854 ( 11.768 4.661 3.307) 13.082 ======================= Grid point 27 (20/282) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -9.154 20.793 1.020) 22.742 1.803 ( -10.431 20.671 -9.088) 24.873 2.691 ( -4.766 -7.524 -5.569) 10.505 2.808 ( -11.644 15.260 5.124) 19.867 2.872 ( -0.909 7.028 -9.561) 11.901 2.982 ( -7.066 1.286 -10.907) 13.059 3.132 ( -2.564 -7.962 3.519) 9.075 3.740 ( -2.462 1.904 2.747) 4.152 3.848 ( 2.523 3.997 -0.238) 4.733 4.271 ( 5.573 -13.335 -7.114) 16.109 4.377 ( 0.211 -8.437 6.209) 10.478 4.797 ( -2.674 0.942 5.544) 6.226 4.926 ( -3.923 4.911 4.975) 8.016 5.154 ( -1.801 0.335 2.471) 3.076 5.372 ( -1.550 8.892 -2.787) 9.447 5.826 ( -2.217 -3.943 0.232) 4.530 6.240 ( -5.424 1.582 0.655) 5.688 6.543 ( -0.521 1.897 -0.735) 2.100 7.017 ( 2.338 -4.353 -1.723) 5.233 7.190 ( -1.649 -6.231 -2.246) 6.826 7.273 ( -3.425 -6.605 -2.003) 7.705 7.646 ( 2.391 -4.086 -2.809) 5.505 7.724 ( 2.773 1.109 -1.592) 3.385 8.047 ( 7.983 4.568 -0.462) 9.209 8.401 ( -6.629 -3.852 2.265) 7.995 8.537 ( -11.693 -3.097 -1.728) 12.219 8.925 ( -2.347 2.871 1.821) 4.131 9.292 ( -1.308 -9.552 8.864) 13.096 9.592 ( 5.456 12.093 2.333) 13.471 9.791 ( 10.840 19.341 6.159) 23.012 10.431 ( 0.027 -0.188 -4.122) 4.126 10.528 ( 4.019 -5.308 -0.108) 6.659 10.549 ( -7.944 2.287 12.864) 15.292 10.861 ( 5.526 6.370 -5.715) 10.186 11.060 ( 5.086 -6.967 -7.696) 11.560 11.341 ( 1.521 -0.228 2.752) 3.153 11.634 ( -2.805 2.618 5.548) 6.746 11.861 ( 7.768 1.173 4.026) 8.828 11.943 ( 8.214 3.739 -0.516) 9.040 12.177 ( 9.130 2.945 -4.357) 10.536 12.362 ( 5.168 -6.489 -3.449) 8.984 12.575 ( 5.819 -4.568 -0.726) 7.434 12.678 ( -13.835 5.528 4.299) 15.507 13.943 ( -6.411 -3.435 -0.653) 7.302 14.997 ( -12.599 -0.196 -2.285) 12.807 16.135 ( 0.170 -4.895 0.176) 4.901 16.735 ( 3.869 4.757 2.843) 6.758 17.053 ( 11.519 6.274 8.792) 15.790 ======================= Grid point 28 (21/282) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -11.110 25.149 -3.204) 27.679 1.398 ( -7.239 27.950 -5.548) 29.401 2.317 ( -11.613 44.712 -4.652) 46.430 2.632 ( -3.819 -5.111 -2.870) 6.996 2.774 ( -3.608 -0.827 -5.349) 6.505 2.892 ( -0.952 -2.906 -1.896) 3.598 3.159 ( -1.142 -2.540 -1.103) 2.996 3.771 ( -1.482 -7.662 4.640) 9.080 3.835 ( 1.646 6.238 -0.894) 6.514 4.362 ( 0.061 -11.314 -1.439) 11.405 4.538 ( 5.203 -7.693 3.816) 10.041 4.784 ( -3.915 -4.737 -3.597) 7.121 4.920 ( -1.794 0.122 8.567) 8.753 5.141 ( -1.265 1.627 1.109) 2.340 5.230 ( -0.844 10.772 -4.998) 11.905 5.867 ( 1.020 -3.668 1.721) 4.178 6.164 ( -2.949 3.958 1.658) 5.207 6.483 ( -1.399 6.759 -0.602) 6.929 7.087 ( 1.802 -6.036 -0.480) 6.317 7.200 ( 2.249 -8.189 -5.928) 10.357 7.285 ( -4.183 -11.925 0.944) 12.673 7.697 ( 1.942 -4.411 -0.645) 4.863 7.740 ( 1.681 0.296 -1.341) 2.171 8.077 ( 2.614 5.971 -1.149) 6.619 8.329 ( -5.688 -5.578 -1.835) 8.175 8.439 ( -4.869 -5.388 0.281) 7.267 8.877 ( -0.447 6.988 0.778) 7.045 9.417 ( -0.181 -7.047 4.218) 8.215 9.586 ( 2.603 11.976 2.064) 12.428 9.923 ( 9.727 12.821 12.545) 20.405 10.320 ( -2.854 3.831 -2.899) 5.588 10.479 ( -2.972 3.190 2.225) 4.895 10.674 ( 4.125 -3.356 -3.099) 6.155 10.805 ( 2.771 10.790 -4.884) 12.164 11.194 ( 6.081 -7.312 4.197) 10.395 11.420 ( -1.398 -12.220 1.519) 12.393 11.612 ( -0.340 2.056 1.064) 2.340 11.855 ( -1.888 12.343 7.785) 14.715 12.024 ( 3.529 11.001 -12.557) 17.064 12.242 ( 5.209 -4.426 1.393) 6.976 12.490 ( 8.664 -5.168 1.414) 10.187 12.570 ( -3.532 -0.274 4.435) 5.676 12.687 ( 5.569 -3.666 -2.126) 6.998 13.878 ( -4.799 -4.076 -0.486) 6.315 14.817 ( -7.865 0.370 -1.615) 8.037 16.146 ( -3.743 -5.154 0.473) 6.387 16.758 ( 1.923 5.737 1.318) 6.193 17.265 ( 9.128 5.807 10.729) 15.236 ======================= Grid point 29 (22/282) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.000 29.271 -0.000) 29.271 1.072 ( -0.000 32.720 -0.000) 32.720 1.794 ( -0.000 54.465 -0.000) 54.465 2.609 ( 0.000 -1.582 0.000) 1.582 2.734 ( 0.000 -2.948 0.000) 2.948 2.891 ( 0.000 -1.947 0.000) 1.947 3.135 ( -0.000 2.714 -0.000) 2.714 3.781 ( -0.000 8.412 -0.000) 8.412 3.877 ( 0.000 -13.882 0.000) 13.882 4.434 ( 0.000 -9.602 0.000) 9.602 4.665 ( -0.000 0.482 -0.000) 0.482 4.754 ( 0.000 -11.807 0.000) 11.807 4.985 ( 0.000 -4.587 0.000) 4.587 5.103 ( -0.000 12.146 -0.000) 12.146 5.119 ( -0.000 1.970 -0.000) 1.970 5.914 ( 0.000 -2.985 0.000) 2.985 6.120 ( -0.000 4.849 -0.000) 4.849 6.407 ( -0.000 8.389 -0.000) 8.389 7.126 ( 0.000 -3.182 0.000) 3.182 7.280 ( 0.000 -12.284 0.000) 12.284 7.352 ( 0.000 -13.874 0.000) 13.874 7.737 ( -0.000 0.502 -0.000) 0.502 7.752 ( 0.000 -4.253 0.000) 4.253 8.035 ( -0.000 7.540 -0.000) 7.540 8.321 ( 0.000 -6.533 0.000) 6.533 8.445 ( 0.000 -4.595 0.000) 4.595 8.819 ( -0.000 8.120 -0.000) 8.120 9.487 ( 0.000 -6.632 0.000) 6.632 9.526 ( -0.000 10.818 -0.000) 10.818 10.024 ( -0.000 5.236 -0.000) 5.236 10.287 ( -0.000 3.988 -0.000) 3.988 10.427 ( -0.000 1.846 -0.000) 1.846 10.700 ( -0.000 12.988 -0.000) 12.988 10.703 ( 0.000 -3.702 0.000) 3.702 11.360 ( 0.000 -2.099 0.000) 2.099 11.433 ( 0.000 -4.157 0.000) 4.157 11.645 ( 0.000 -3.446 0.000) 3.446 11.767 ( -0.000 11.544 -0.000) 11.544 11.902 ( -0.000 2.900 -0.000) 2.900 12.324 ( 0.000 -5.558 0.000) 5.558 12.578 ( 0.000 -0.372 0.000) 0.372 12.642 ( 0.000 -3.483 0.000) 3.483 12.745 ( 0.000 -2.840 0.000) 2.840 13.862 ( 0.000 -2.671 0.000) 2.671 14.742 ( -0.000 0.287 -0.000) 0.287 16.143 ( 0.000 -4.326 0.000) 4.326 16.735 ( -0.000 5.825 -0.000) 5.825 17.393 ( -0.000 1.652 -0.000) 1.652 ======================= Grid point 34 (23/282) ======================= q-point: ( 0.30 -0.70 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 3.052 0.000 8.214) 8.763 2.301 ( 2.751 0.000 5.727) 6.354 2.748 ( -3.351 -0.000 -6.472) 7.288 2.903 ( -4.596 -0.000 -3.426) 5.732 3.025 ( -6.575 -0.000 0.935) 6.641 3.259 ( -3.807 -0.000 -4.723) 6.066 3.673 ( -3.834 -0.000 -13.672) 14.199 3.698 ( 4.001 0.000 3.617) 5.393 3.961 ( 5.740 0.000 -6.159) 8.419 3.963 ( -1.518 -0.000 -5.571) 5.774 4.098 ( -0.640 -0.000 4.328) 4.375 4.937 ( -1.279 -0.000 7.781) 7.886 5.119 ( -2.182 -0.000 7.880) 8.176 5.136 ( -4.842 -0.000 4.370) 6.523 5.349 ( 3.319 0.000 2.543) 4.181 6.091 ( -7.200 -0.000 -4.498) 8.489 6.272 ( 0.451 0.000 -5.729) 5.746 6.564 ( 4.998 0.000 -4.195) 6.525 7.025 ( -5.580 -0.000 1.496) 5.777 7.110 ( -8.162 -0.000 6.919) 10.700 7.493 ( -1.919 -0.000 -2.695) 3.309 7.610 ( 0.907 0.000 -1.521) 1.771 7.703 ( 0.379 0.000 -0.111) 0.395 7.757 ( 9.191 0.000 0.340) 9.197 8.280 ( 1.040 0.000 5.280) 5.382 8.811 ( -3.517 -0.000 14.078) 14.510 8.897 ( -7.728 -0.000 3.534) 8.497 9.205 ( -0.474 -0.000 -0.707) 0.851 9.688 ( 8.416 0.000 8.075) 11.663 9.780 ( -3.134 -0.000 -4.194) 5.235 10.144 ( 1.146 0.000 1.422) 1.826 10.196 ( 12.287 0.000 -10.959) 16.464 10.735 ( -1.520 -0.000 4.387) 4.643 10.879 ( -0.104 -0.000 -4.635) 4.636 11.090 ( 10.725 0.000 -19.622) 22.361 11.316 ( 0.975 0.000 6.811) 6.880 11.511 ( 2.672 0.000 -0.373) 2.698 11.681 ( -3.491 -0.000 11.970) 12.469 11.800 ( -1.018 -0.000 3.246) 3.402 11.968 ( 10.581 0.000 -1.783) 10.730 12.254 ( 1.524 0.000 -17.327) 17.394 12.441 ( -5.593 -0.000 11.450) 12.743 13.117 ( -8.482 -0.000 6.762) 10.848 14.066 ( -2.071 -0.000 -0.802) 2.221 15.493 ( -16.034 -0.000 -2.892) 16.293 15.927 ( 8.794 0.000 -1.550) 8.929 16.499 ( 6.917 0.000 5.933) 9.113 16.733 ( 11.129 0.000 -3.253) 11.595 ======================= Grid point 36 (24/282) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -0.476 8.712 7.534) 11.528 2.313 ( -3.469 5.278 -1.069) 6.406 2.627 ( -6.064 -6.292 -6.498) 10.889 2.788 ( -6.292 -0.526 0.524) 6.335 2.973 ( -4.856 -4.010 2.718) 6.859 3.139 ( -4.647 0.763 -6.282) 7.851 3.427 ( -4.381 5.685 -13.756) 15.516 3.782 ( 3.137 -1.802 0.785) 3.702 3.927 ( 1.776 5.300 -2.051) 5.955 4.013 ( 7.250 -4.093 -6.830) 10.769 4.143 ( -2.953 -6.675 5.730) 9.279 4.975 ( -6.572 6.301 10.873) 14.182 5.044 ( -3.365 6.234 3.519) 7.910 5.142 ( -4.270 -3.742 2.197) 6.087 5.450 ( 3.100 0.278 6.205) 6.941 5.900 ( -8.661 -0.028 -6.960) 11.111 6.233 ( -1.720 -4.490 -4.120) 6.332 6.579 ( 3.201 1.658 -4.139) 5.489 6.974 ( -2.470 0.278 1.703) 3.013 7.080 ( -6.775 -4.807 5.751) 10.104 7.387 ( -3.905 2.931 -5.734) 7.531 7.584 ( -1.166 -2.054 -2.459) 3.410 7.717 ( 3.303 0.313 -2.753) 4.311 7.945 ( 12.892 0.775 0.111) 12.916 8.362 ( -1.716 -1.353 6.944) 7.280 8.759 ( -14.469 2.223 3.207) 14.986 8.883 ( -2.495 -2.786 7.633) 8.500 9.137 ( -5.638 -2.598 2.247) 6.602 9.750 ( 6.584 9.450 0.551) 11.530 9.915 ( 9.095 0.621 6.123) 10.981 10.179 ( 3.802 2.701 6.838) 8.277 10.334 ( 8.083 -6.692 -3.611) 11.097 10.714 ( -9.332 0.925 7.706) 12.138 10.849 ( 2.516 -2.532 -8.128) 8.877 11.045 ( 8.098 -1.009 -19.517) 21.154 11.417 ( 9.193 10.330 4.656) 14.591 11.569 ( 4.262 -4.977 0.782) 6.599 11.720 ( -2.824 5.113 10.302) 11.842 11.903 ( 4.613 -8.104 3.892) 10.104 12.053 ( 1.730 1.878 -6.597) 7.074 12.185 ( 11.882 -3.230 -11.024) 16.527 12.481 ( -2.744 0.720 9.635) 10.044 13.004 ( -11.485 3.890 4.469) 12.923 13.994 ( -6.207 -1.202 -1.791) 6.571 15.228 ( -14.598 -0.034 -2.947) 14.892 16.021 ( 4.407 -1.505 -0.583) 4.693 16.670 ( 7.314 0.604 5.220) 9.006 16.903 ( 13.265 1.654 1.127) 13.415 ======================= Grid point 37 (25/282) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -5.668 19.328 3.544) 20.451 2.093 ( -7.355 15.806 -5.761) 18.361 2.549 ( -6.209 -10.837 -4.661) 13.331 2.769 ( -3.299 -6.639 3.611) 8.246 2.964 ( -7.277 0.387 -8.647) 11.308 2.986 ( -2.632 -6.731 2.693) 7.713 3.217 ( -0.672 16.926 -5.842) 17.918 3.816 ( -1.635 4.460 1.900) 5.116 3.884 ( 3.044 2.469 -3.627) 5.340 4.097 ( 4.992 -8.698 -5.685) 11.528 4.241 ( 2.114 -8.336 4.089) 9.522 4.854 ( -7.702 6.115 3.081) 10.305 4.987 ( -7.854 1.980 6.151) 10.171 5.158 ( -0.351 -0.008 3.756) 3.773 5.500 ( 0.226 7.417 1.276) 7.530 5.759 ( -3.566 -4.556 -2.170) 6.180 6.204 ( -2.959 -5.021 -2.003) 6.163 6.568 ( 1.980 1.909 -2.663) 3.829 6.974 ( -0.193 -1.731 0.772) 1.905 7.081 ( -5.796 -6.575 4.605) 9.901 7.248 ( -2.900 1.921 -6.696) 7.545 7.574 ( 0.044 -4.716 -2.853) 5.512 7.742 ( 3.402 1.035 -1.835) 4.002 8.101 ( 8.916 2.353 -1.060) 9.282 8.353 ( -6.507 -2.213 2.531) 7.324 8.491 ( -15.664 -2.515 -4.168) 16.403 8.970 ( 1.690 3.047 5.939) 6.885 9.167 ( -1.251 -6.725 7.697) 10.298 9.787 ( 6.430 12.634 2.699) 14.431 10.045 ( 7.341 12.816 6.948) 16.322 10.377 ( 4.863 -9.009 5.159) 11.464 10.422 ( 3.421 -2.352 0.476) 4.179 10.625 ( -10.028 4.251 10.685) 15.258 10.843 ( 3.257 -6.359 -7.289) 10.207 10.983 ( 6.387 -2.500 -16.681) 18.036 11.432 ( 2.112 9.237 -1.518) 9.596 11.694 ( -2.395 5.082 6.841) 8.853 11.823 ( 10.616 -4.197 6.458) 13.116 11.981 ( 1.714 0.945 -4.185) 4.619 12.119 ( 10.432 -8.617 1.818) 13.652 12.328 ( 12.470 0.088 -6.178) 13.916 12.535 ( 0.269 -0.416 5.950) 5.970 12.804 ( -11.523 9.065 1.782) 14.769 13.875 ( -8.851 -4.754 -2.501) 10.354 14.999 ( -11.606 0.342 -2.337) 11.844 16.072 ( 0.202 -3.047 -0.040) 3.054 16.791 ( 4.289 2.435 3.336) 5.954 17.122 ( 13.139 2.896 4.927) 14.328 ======================= Grid point 38 (26/282) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -8.212 23.839 -2.065) 25.298 1.807 ( -4.255 24.789 -2.052) 25.235 2.515 ( -3.738 -9.898 -2.575) 10.889 2.773 ( -3.997 0.484 -4.084) 5.734 2.830 ( -3.025 -4.744 1.879) 5.932 2.943 ( -0.640 31.982 -5.408) 32.442 3.055 ( -2.255 -7.603 1.483) 8.068 3.746 ( -2.019 4.233 1.195) 4.840 3.901 ( 2.080 1.283 -1.129) 2.691 4.184 ( 1.464 -11.331 -2.176) 11.630 4.408 ( 6.658 -8.272 2.336) 10.873 4.738 ( -6.675 -1.163 -1.371) 6.913 4.927 ( -5.027 0.617 5.419) 7.417 5.172 ( -0.907 2.056 2.459) 3.332 5.397 ( -0.774 10.634 -2.909) 11.052 5.796 ( 0.749 -5.482 1.858) 5.836 6.180 ( -2.378 -2.031 0.082) 3.128 6.555 ( 0.763 2.704 -1.231) 3.068 7.007 ( 1.263 -3.868 0.087) 4.070 7.091 ( -3.974 -6.764 2.311) 8.179 7.160 ( -1.508 -3.215 -4.840) 6.003 7.603 ( 0.808 -6.886 -1.841) 7.173 7.760 ( 1.755 1.820 -0.607) 2.600 8.134 ( 0.002 1.090 -3.425) 3.594 8.268 ( -4.590 -1.900 -0.799) 5.031 8.354 ( -4.678 -5.192 0.365) 6.998 8.980 ( 0.543 6.380 1.876) 6.672 9.304 ( 1.032 -7.360 5.614) 9.314 9.787 ( 3.429 13.866 2.253) 14.461 10.111 ( 2.992 11.728 9.348) 15.294 10.364 ( 0.804 1.527 -3.749) 4.127 10.548 ( -4.492 5.261 3.295) 7.662 10.615 ( 4.659 -4.443 1.338) 6.576 10.899 ( 2.631 -1.334 -1.139) 3.163 10.996 ( 4.582 -13.075 -5.306) 14.835 11.369 ( -0.100 3.876 -2.038) 4.381 11.661 ( -1.594 4.321 2.172) 5.092 11.939 ( -0.803 1.604 3.252) 3.714 12.077 ( 3.474 -8.303 3.204) 9.554 12.348 ( 4.276 17.287 -7.069) 19.159 12.397 ( 14.226 -5.918 1.138) 15.450 12.587 ( -5.264 1.789 5.921) 8.122 12.647 ( 3.483 -0.124 -1.518) 3.802 13.779 ( -6.850 -8.578 -1.611) 11.095 14.831 ( -6.896 1.322 -1.383) 7.156 16.076 ( -2.596 -3.812 -0.027) 4.612 16.833 ( 1.671 3.895 1.442) 4.476 17.329 ( 8.842 2.794 5.677) 10.873 ======================= Grid point 39 (27/282) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 27.218 -0.000) 27.218 1.550 ( -0.000 29.243 -0.000) 29.243 2.540 ( 0.000 -7.482 0.000) 7.482 2.576 ( -0.000 46.399 -0.000) 46.399 2.711 ( 0.000 -0.097 0.000) 0.097 2.856 ( 0.000 -3.046 0.000) 3.046 3.110 ( 0.000 -6.856 0.000) 6.856 3.735 ( 0.000 -3.067 0.000) 3.067 3.889 ( -0.000 4.604 -0.000) 4.604 4.272 ( 0.000 -11.185 0.000) 11.185 4.581 ( 0.000 -10.174 0.000) 10.174 4.653 ( 0.000 -1.758 0.000) 1.758 4.930 ( 0.000 -2.229 0.000) 2.229 5.156 ( -0.000 2.607 -0.000) 2.607 5.289 ( -0.000 11.726 -0.000) 11.726 5.855 ( 0.000 -4.679 0.000) 4.679 6.168 ( -0.000 0.753 -0.000) 0.753 6.521 ( -0.000 5.649 -0.000) 5.649 7.063 ( 0.000 -5.224 0.000) 5.224 7.121 ( 0.000 -7.762 0.000) 7.762 7.168 ( 0.000 -8.849 0.000) 8.849 7.659 ( 0.000 -7.418 0.000) 7.418 7.755 ( -0.000 1.822 -0.000) 1.822 8.101 ( -0.000 0.143 -0.000) 0.143 8.248 ( 0.000 -1.836 0.000) 1.836 8.364 ( 0.000 -5.326 0.000) 5.326 8.940 ( -0.000 7.406 -0.000) 7.406 9.391 ( 0.000 -6.242 0.000) 6.242 9.718 ( -0.000 13.746 -0.000) 13.746 10.114 ( -0.000 6.759 -0.000) 6.759 10.354 ( -0.000 4.462 -0.000) 4.462 10.479 ( -0.000 4.527 -0.000) 4.527 10.658 ( 0.000 -2.283 0.000) 2.283 10.875 ( -0.000 8.235 -0.000) 8.235 11.183 ( 0.000 -21.477 0.000) 21.477 11.340 ( -0.000 0.263 -0.000) 0.263 11.635 ( -0.000 2.514 -0.000) 2.514 11.938 ( -0.000 1.742 -0.000) 1.742 12.121 ( -0.000 25.787 -0.000) 25.787 12.196 ( 0.000 -9.117 0.000) 9.117 12.550 ( 0.000 -4.126 0.000) 4.126 12.601 ( 0.000 -0.774 0.000) 0.774 12.701 ( 0.000 -2.753 0.000) 2.753 13.783 ( 0.000 -7.997 0.000) 7.997 14.756 ( -0.000 1.610 -0.000) 1.610 16.078 ( 0.000 -3.964 0.000) 3.964 16.819 ( -0.000 4.807 -0.000) 4.807 17.419 ( -0.000 1.675 -0.000) 1.675 ======================= Grid point 46 (28/282) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -0.250 -0.000 6.815) 6.819 2.221 ( -8.276 -0.000 -3.449) 8.966 2.422 ( -7.199 -0.000 -6.311) 9.574 2.691 ( -6.313 -0.000 2.098) 6.652 2.935 ( -2.224 -0.000 2.704) 3.501 2.967 ( -7.328 -0.000 -9.330) 11.863 3.362 ( 3.342 0.000 -3.791) 5.054 3.816 ( 3.340 0.000 -1.911) 3.848 3.966 ( 2.761 0.000 -4.348) 5.151 4.001 ( -1.133 -0.000 -1.841) 2.162 4.164 ( 4.693 0.000 3.135) 5.643 4.939 ( -11.823 -0.000 -0.205) 11.825 4.976 ( -8.431 -0.000 7.611) 11.358 5.157 ( 0.745 0.000 5.258) 5.310 5.572 ( 3.027 0.000 6.871) 7.509 5.709 ( -6.116 -0.000 -7.035) 9.322 6.153 ( -1.195 -0.000 -3.386) 3.591 6.588 ( 2.397 0.000 -4.042) 4.700 6.962 ( -1.646 -0.000 1.793) 2.434 7.023 ( -5.892 -0.000 6.382) 8.686 7.275 ( -3.372 -0.000 -7.355) 8.091 7.530 ( -1.108 -0.000 -2.476) 2.712 7.751 ( 3.863 0.000 -1.994) 4.347 8.119 ( 9.088 0.000 -1.337) 9.186 8.336 ( -6.166 -0.000 2.878) 6.805 8.470 ( -17.419 -0.000 -5.259) 18.195 9.005 ( 5.239 0.000 10.073) 11.354 9.103 ( -3.484 -0.000 4.786) 5.920 9.921 ( 8.092 0.000 0.385) 8.101 10.121 ( 6.770 0.000 10.401) 12.410 10.338 ( 3.473 0.000 11.936) 12.431 10.367 ( 1.989 0.000 -2.344) 3.074 10.665 ( -9.038 -0.000 13.196) 15.995 10.774 ( 2.577 0.000 -12.800) 13.057 10.965 ( 7.631 0.000 -18.929) 20.409 11.523 ( 0.553 0.000 -4.954) 4.985 11.750 ( 11.096 0.000 7.787) 13.556 11.783 ( -5.727 -0.000 9.755) 11.312 11.988 ( 0.865 0.000 -7.014) 7.067 12.021 ( 14.509 0.000 0.667) 14.525 12.327 ( 15.380 0.000 -4.022) 15.897 12.537 ( -1.939 -0.000 8.021) 8.252 12.887 ( -9.683 -0.000 2.019) 9.891 13.830 ( -10.480 -0.000 -3.743) 11.128 15.003 ( -11.132 -0.000 -2.379) 11.383 16.047 ( 0.249 0.000 -0.058) 0.255 16.810 ( 4.480 0.000 3.553) 5.718 17.144 ( 13.639 0.000 3.512) 14.084 ======================= Grid point 48 (29/282) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -6.642 17.501 -2.239) 18.852 2.133 ( -1.416 15.049 1.507) 15.191 2.337 ( -4.560 -11.865 -2.433) 12.942 2.678 ( -2.817 -10.652 1.445) 11.113 2.788 ( -4.793 0.256 -6.097) 7.759 2.943 ( -1.004 -2.794 1.361) 3.266 3.361 ( 3.342 16.211 0.849) 16.574 3.844 ( -0.677 2.583 1.760) 3.198 3.888 ( 1.346 3.070 -5.687) 6.601 4.023 ( -0.266 -9.678 -2.130) 9.914 4.310 ( 8.408 -3.629 1.655) 9.306 4.741 ( -10.978 0.843 -1.010) 11.056 4.930 ( -5.298 -0.242 4.487) 6.947 5.196 ( -0.935 0.839 3.277) 3.510 5.548 ( -1.134 8.456 -2.633) 8.929 5.700 ( 0.902 -6.562 2.493) 7.078 6.130 ( -0.515 -2.840 -1.436) 3.224 6.580 ( 1.328 0.815 -2.145) 2.651 6.962 ( -0.872 -1.872 0.834) 2.227 7.018 ( -4.139 -2.312 5.862) 7.539 7.158 ( -1.459 1.276 -6.910) 7.176 7.512 ( -0.288 -3.878 -1.805) 4.287 7.784 ( 2.354 0.993 -0.718) 2.654 8.127 ( -4.786 -0.825 -5.213) 7.125 8.264 ( -2.942 0.609 0.521) 3.049 8.293 ( -2.657 -2.464 0.311) 3.637 9.073 ( -0.128 5.490 2.851) 6.188 9.197 ( 2.750 -6.069 5.660) 8.743 9.985 ( 4.557 9.713 1.082) 10.783 10.270 ( 0.301 7.758 7.500) 10.795 10.349 ( 1.344 -3.501 0.752) 3.825 10.539 ( 4.688 -4.286 8.816) 10.866 10.629 ( -3.362 5.417 -0.820) 6.428 10.747 ( -2.431 -10.087 1.943) 10.556 10.928 ( 7.938 -1.187 -13.374) 15.598 11.447 ( -0.508 3.787 -5.847) 6.984 11.743 ( -3.104 5.608 3.546) 7.325 11.920 ( 0.018 -5.952 5.847) 8.343 11.966 ( 0.803 -1.850 -2.169) 2.961 12.315 ( 16.107 -3.227 1.065) 16.461 12.518 ( 12.468 3.806 -0.884) 13.066 12.585 ( 0.257 -0.969 4.522) 4.632 12.747 ( -5.848 8.561 -0.179) 10.370 13.647 ( -10.016 -6.483 -3.314) 12.383 14.849 ( -6.103 0.777 -1.276) 6.283 16.034 ( -2.117 -1.471 -0.105) 2.580 16.874 ( 1.545 1.358 1.611) 2.613 17.356 ( 9.008 0.890 3.430) 9.680 ======================= Grid point 49 (30/282) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 22.915 -0.000) 22.915 1.964 ( -0.000 24.096 -0.000) 24.096 2.386 ( 0.000 -12.181 0.000) 12.181 2.717 ( -0.000 0.408 -0.000) 0.408 2.759 ( 0.000 -11.080 0.000) 11.080 2.977 ( 0.000 -6.714 0.000) 6.714 3.192 ( -0.000 32.351 -0.000) 32.351 3.777 ( -0.000 7.115 -0.000) 7.115 3.904 ( 0.000 -2.745 0.000) 2.745 4.095 ( 0.000 -11.579 0.000) 11.579 4.454 ( 0.000 -5.935 0.000) 5.935 4.624 ( 0.000 -1.606 0.000) 1.606 4.914 ( 0.000 -0.234 0.000) 0.234 5.191 ( -0.000 1.738 -0.000) 1.738 5.457 ( -0.000 9.829 -0.000) 9.829 5.771 ( 0.000 -6.081 0.000) 6.081 6.143 ( 0.000 -3.184 0.000) 3.184 6.573 ( -0.000 1.481 -0.000) 1.481 6.982 ( 0.000 -4.181 0.000) 4.181 7.041 ( 0.000 -3.306 0.000) 3.306 7.101 ( 0.000 -0.365 0.000) 0.365 7.544 ( 0.000 -6.759 0.000) 6.759 7.787 ( -0.000 1.962 -0.000) 1.962 8.064 ( 0.000 -3.099 0.000) 3.099 8.246 ( 0.000 -0.184 0.000) 0.184 8.301 ( 0.000 -2.249 0.000) 2.249 9.043 ( -0.000 5.964 -0.000) 5.964 9.294 ( 0.000 -6.086 0.000) 6.086 9.935 ( -0.000 13.582 -0.000) 13.582 10.226 ( -0.000 6.986 -0.000) 6.986 10.413 ( -0.000 2.712 -0.000) 2.712 10.544 ( -0.000 3.223 -0.000) 3.223 10.630 ( 0.000 -1.350 0.000) 1.350 10.866 ( 0.000 -17.981 0.000) 17.981 10.933 ( -0.000 0.130 -0.000) 0.130 11.378 ( -0.000 3.844 -0.000) 3.844 11.695 ( -0.000 5.043 -0.000) 5.043 11.955 ( -0.000 0.520 -0.000) 0.520 12.021 ( 0.000 -10.687 0.000) 10.687 12.478 ( 0.000 -4.219 0.000) 4.219 12.531 ( -0.000 23.415 -0.000) 23.415 12.603 ( -0.000 0.536 -0.000) 0.536 12.664 ( 0.000 -1.878 0.000) 1.878 13.622 ( 0.000 -11.894 0.000) 11.894 14.785 ( -0.000 1.772 -0.000) 1.772 16.027 ( 0.000 -2.486 0.000) 2.486 16.877 ( -0.000 2.635 -0.000) 2.635 17.441 ( -0.000 1.049 -0.000) 1.049 ======================= Grid point 59 (31/282) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 0.000 -0.000) 0.000 2.207 ( -0.000 0.000 -0.000) 0.000 2.229 ( 0.000 -0.000 0.000) 0.000 2.603 ( 0.000 -0.000 0.000) 0.000 2.722 ( 0.000 -0.000 0.000) 0.000 2.933 ( 0.000 -0.000 0.000) 0.000 3.483 ( -0.000 0.000 -0.000) 0.000 3.848 ( 0.000 -0.000 0.000) 0.000 3.906 ( -0.000 0.000 -0.000) 0.000 3.935 ( 0.000 -0.000 0.000) 0.000 4.407 ( 0.000 -0.000 0.000) 0.000 4.611 ( 0.000 -0.000 0.000) 0.000 4.913 ( 0.000 -0.000 0.000) 0.000 5.205 ( 0.000 -0.000 0.000) 0.000 5.557 ( 0.000 -0.000 0.000) 0.000 5.700 ( 0.000 -0.000 0.000) 0.000 6.110 ( 0.000 -0.000 0.000) 0.000 6.582 ( 0.000 -0.000 0.000) 0.000 6.949 ( 0.000 -0.000 0.000) 0.000 7.015 ( 0.000 -0.000 0.000) 0.000 7.110 ( 0.000 -0.000 0.000) 0.000 7.484 ( 0.000 -0.000 0.000) 0.000 7.804 ( 0.000 -0.000 0.000) 0.000 8.037 ( 0.000 -0.000 0.000) 0.000 8.238 ( 0.000 -0.000 0.000) 0.000 8.290 ( 0.000 -0.000 0.000) 0.000 9.103 ( -0.000 0.000 -0.000) 0.000 9.232 ( 0.000 -0.000 0.000) 0.000 10.067 ( 0.000 -0.000 0.000) 0.000 10.289 ( -0.000 0.000 -0.000) 0.000 10.428 ( 0.000 -0.000 0.000) 0.000 10.568 ( 0.000 -0.000 0.000) 0.000 10.620 ( 0.000 -0.000 0.000) 0.000 10.706 ( 0.000 -0.000 0.000) 0.000 10.925 ( 0.000 -0.000 0.000) 0.000 11.415 ( 0.000 -0.000 0.000) 0.000 11.757 ( 0.000 -0.000 0.000) 0.000 11.913 ( 0.000 -0.000 0.000) 0.000 11.958 ( 0.000 -0.000 0.000) 0.000 12.442 ( 0.000 -0.000 0.000) 0.000 12.609 ( 0.000 -0.000 0.000) 0.000 12.648 ( 0.000 -0.000 0.000) 0.000 12.744 ( 0.000 -0.000 0.000) 0.000 13.500 ( 0.000 -0.000 0.000) 0.000 14.800 ( 0.000 -0.000 0.000) 0.000 16.007 ( 0.000 -0.000 0.000) 0.000 16.897 ( 0.000 -0.000 0.000) 0.000 17.449 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/282) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 15.433 0.000 28.973) 32.827 0.636 ( -3.529 -0.000 30.627) 30.830 0.931 ( -13.240 -0.000 45.417) 47.308 2.645 ( 2.669 0.000 3.250) 4.205 2.860 ( 1.800 0.000 5.266) 5.565 3.028 ( -2.715 -0.000 5.056) 5.738 3.372 ( 7.035 0.000 2.585) 7.495 3.584 ( 1.235 0.000 -2.415) 2.712 4.123 ( 0.427 0.000 -12.351) 12.359 4.284 ( 5.745 0.000 -17.225) 18.158 4.655 ( 1.125 0.000 -7.130) 7.218 5.008 ( 0.871 0.000 -2.419) 2.571 5.059 ( -2.683 -0.000 -2.497) 3.665 5.153 ( -5.046 -0.000 8.739) 10.091 5.170 ( -0.148 -0.000 6.748) 6.749 5.853 ( -1.450 -0.000 -0.652) 1.590 5.906 ( 4.067 0.000 -4.923) 6.385 6.211 ( 0.877 0.000 -2.175) 2.345 7.641 ( -1.929 -0.000 0.304) 1.953 7.649 ( 1.835 0.000 -3.178) 3.670 7.717 ( 0.868 0.000 0.170) 0.884 7.740 ( 5.309 0.000 0.490) 5.332 7.779 ( -4.118 -0.000 3.582) 5.458 7.817 ( 2.987 0.000 2.332) 3.789 8.500 ( -1.287 -0.000 0.001) 1.287 8.507 ( 0.874 0.000 0.872) 1.234 8.750 ( -0.859 -0.000 4.061) 4.151 9.275 ( 3.986 0.000 -5.825) 7.058 9.533 ( -43.077 -0.000 3.847) 43.248 9.711 ( -0.854 -0.000 -12.126) 12.156 10.207 ( -1.706 -0.000 -9.157) 9.315 10.355 ( -8.158 -0.000 -6.466) 10.410 10.584 ( -1.519 -0.000 4.544) 4.791 10.695 ( 4.083 0.000 -0.446) 4.107 11.173 ( 0.752 0.000 -0.345) 0.827 11.461 ( 4.480 0.000 5.549) 7.132 11.539 ( -4.111 -0.000 -3.469) 5.379 11.968 ( -4.890 -0.000 3.183) 5.835 12.151 ( 6.125 0.000 -0.579) 6.152 12.195 ( -7.930 -0.000 -7.379) 10.832 12.592 ( -3.110 -0.000 1.124) 3.307 12.716 ( -6.198 -0.000 2.358) 6.632 12.773 ( 6.045 0.000 -1.463) 6.220 13.834 ( 3.810 0.000 -4.438) 5.849 14.823 ( -1.497 -0.000 6.765) 6.929 15.904 ( -15.237 -0.000 -3.631) 15.664 16.616 ( -1.073 -0.000 0.411) 1.149 16.631 ( -0.005 -0.000 1.423) 1.423 ======================= Grid point 108 (33/282) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 8.674 -1.914 25.930) 27.409 1.084 ( 8.084 -10.793 27.746) 30.850 1.558 ( 24.996 -16.376 30.674) 42.823 2.773 ( 7.925 0.059 5.451) 9.619 2.979 ( 4.730 0.981 8.922) 10.146 3.047 ( -1.653 0.003 5.685) 5.921 3.361 ( -4.735 3.749 1.329) 6.184 3.591 ( 1.608 -2.549 -2.610) 3.987 3.953 ( 0.962 9.075 -14.455) 17.095 4.221 ( 3.723 -6.470 -17.877) 19.373 4.586 ( 0.515 1.242 -9.333) 9.430 4.928 ( -2.397 7.256 1.482) 7.784 5.010 ( -0.816 -2.546 -2.980) 4.003 5.126 ( -4.141 6.324 5.155) 9.149 5.242 ( -1.613 -3.096 6.464) 7.347 5.829 ( 1.401 -0.997 -4.420) 4.743 5.968 ( 7.130 -1.066 -2.562) 7.651 6.236 ( 3.298 -4.502 -2.616) 6.164 7.511 ( -5.898 12.527 3.246) 14.222 7.585 ( -1.693 9.140 -1.367) 9.395 7.718 ( -3.239 -3.706 -0.306) 4.932 7.751 ( -2.810 0.211 3.598) 4.570 7.767 ( -6.548 1.893 3.795) 7.801 7.860 ( -0.181 -3.818 4.983) 6.280 8.508 ( 1.980 -0.725 -0.437) 2.153 8.518 ( -0.939 1.344 0.663) 1.768 8.764 ( 0.209 2.746 6.393) 6.961 9.122 ( -27.528 -20.299 16.903) 38.152 9.261 ( 0.770 -1.788 -5.427) 5.765 9.580 ( 0.001 2.842 -10.982) 11.344 10.114 ( 7.415 3.371 -10.970) 13.663 10.267 ( -2.283 -8.972 -6.728) 11.444 10.578 ( 0.564 -0.359 -2.314) 2.409 10.809 ( 1.392 -0.623 9.790) 9.908 11.195 ( 1.224 -0.184 1.542) 1.978 11.457 ( 1.949 -0.571 -6.817) 7.113 11.609 ( 4.411 -1.971 4.725) 6.758 11.711 ( -11.067 9.157 -11.791) 18.584 11.968 ( -12.662 -5.492 -9.481) 16.745 12.334 ( -0.552 -0.411 15.720) 15.735 12.533 ( 1.910 4.927 -4.233) 6.771 12.626 ( -6.127 -0.867 -0.087) 6.189 12.831 ( 2.325 1.902 1.897) 3.552 13.877 ( 5.105 -0.453 -1.700) 5.400 14.925 ( 5.759 0.514 6.720) 8.865 16.009 ( 17.582 -7.575 -13.542) 23.450 16.553 ( -5.300 1.287 -0.170) 5.456 16.657 ( -4.382 -8.207 0.455) 9.315 ======================= Grid point 109 (34/282) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 6.847 -3.179 21.661) 22.939 1.568 ( 10.258 -13.196 20.983) 26.826 2.324 ( 24.747 -14.678 18.211) 34.051 2.963 ( 9.204 1.169 4.860) 10.474 3.058 ( -2.376 2.638 8.139) 8.880 3.178 ( 5.762 -0.504 9.880) 11.448 3.269 ( -3.561 2.652 1.917) 4.836 3.621 ( 2.988 -2.457 -2.856) 4.808 3.771 ( 0.621 6.289 -10.426) 12.192 4.142 ( 2.199 -6.933 -17.065) 18.550 4.471 ( -1.156 0.453 -11.292) 11.360 4.861 ( -0.374 9.133 1.451) 9.255 5.012 ( 0.707 0.630 -2.121) 2.322 5.044 ( -1.999 4.981 0.047) 5.367 5.304 ( -1.425 -3.466 6.095) 7.154 5.843 ( 6.862 0.733 -4.900) 8.464 6.070 ( 7.239 -2.403 -1.914) 7.864 6.324 ( 5.621 -7.371 -3.354) 9.858 7.365 ( -5.728 10.764 3.336) 12.642 7.478 ( -1.464 9.373 -0.348) 9.493 7.652 ( -8.646 0.948 5.174) 10.121 7.703 ( -7.849 -5.579 1.248) 9.710 7.749 ( -0.227 3.579 3.763) 5.198 7.902 ( -2.864 -2.048 3.245) 4.788 8.465 ( -4.465 2.394 1.561) 5.302 8.562 ( 5.453 -0.312 -0.639) 5.499 8.877 ( 4.665 -3.716 4.460) 7.447 9.149 ( -10.743 -18.346 12.064) 24.444 9.226 ( -0.549 -2.107 -4.573) 5.065 9.483 ( 3.143 3.831 -5.756) 7.595 10.183 ( 14.340 -2.376 -10.210) 17.763 10.247 ( -1.508 -8.842 -5.781) 10.671 10.572 ( 0.637 1.076 -0.698) 1.432 10.867 ( -3.047 5.397 4.268) 7.525 11.239 ( 1.846 -2.270 0.613) 2.989 11.374 ( -6.038 7.537 -10.498) 14.264 11.450 ( 3.690 0.363 -4.509) 5.838 11.694 ( -7.100 -3.192 -12.097) 14.385 11.748 ( -3.038 -7.758 4.731) 9.581 12.308 ( -11.752 2.656 5.931) 13.429 12.488 ( -5.076 2.709 -4.764) 7.470 12.618 ( 5.437 1.131 1.598) 5.779 12.877 ( 3.352 5.152 6.532) 8.969 13.953 ( 4.514 -1.005 0.577) 4.660 15.103 ( 10.294 0.939 4.960) 11.465 16.158 ( 13.303 -3.185 -12.875) 18.785 16.438 ( -7.976 -1.906 -2.282) 8.512 16.634 ( -6.872 -7.676 0.598) 10.320 ======================= Grid point 110 (35/282) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 4.021 -2.206 18.021) 18.596 1.975 ( 6.560 -10.926 15.008) 19.689 2.789 ( 9.909 -4.043 2.848) 11.075 3.047 ( -1.772 -2.287 5.325) 6.061 3.116 ( 0.177 5.415 5.721) 7.879 3.221 ( 4.896 2.002 3.280) 6.224 3.427 ( 7.129 -2.603 6.778) 10.175 3.613 ( 1.514 2.180 -4.201) 4.969 3.768 ( 5.276 -3.413 2.836) 6.894 4.080 ( 3.951 -6.951 -14.214) 16.309 4.335 ( -2.271 -3.093 -12.147) 12.738 4.796 ( -1.383 11.819 4.295) 12.651 4.931 ( -2.150 5.129 -1.048) 5.659 5.046 ( 4.519 1.201 -3.879) 6.075 5.365 ( -0.080 -2.628 3.342) 4.252 5.935 ( 11.239 0.802 -4.307) 12.063 6.190 ( 6.823 -5.511 -1.329) 8.870 6.431 ( 5.966 -6.119 -4.806) 9.804 7.239 ( -6.139 7.289 3.781) 10.253 7.387 ( -0.356 8.303 -1.701) 8.483 7.567 ( -6.408 3.540 4.247) 8.463 7.621 ( -9.815 -5.941 0.742) 11.496 7.750 ( -0.859 2.991 2.168) 3.793 7.874 ( -4.836 0.242 2.202) 5.319 8.404 ( -5.260 1.394 5.744) 7.913 8.677 ( 9.459 -0.339 0.523) 9.480 8.964 ( 0.711 1.251 1.523) 2.096 9.197 ( -3.772 -4.156 0.206) 5.616 9.279 ( -3.059 -12.808 9.974) 16.519 9.548 ( 10.637 -1.563 -0.155) 10.752 10.232 ( 1.077 -4.187 -5.884) 7.301 10.336 ( 6.874 -4.210 -4.134) 9.059 10.517 ( -3.174 1.097 -6.541) 7.353 10.742 ( 0.069 7.485 -4.030) 8.501 11.242 ( -1.276 2.973 -0.974) 3.378 11.277 ( 2.238 -4.380 -7.594) 9.048 11.433 ( -7.211 -1.109 -2.601) 7.746 11.523 ( 4.352 -0.635 -3.606) 5.688 11.869 ( 2.324 -8.794 2.654) 9.475 12.147 ( -8.761 3.585 -0.525) 9.480 12.307 ( -5.455 4.672 -8.630) 11.228 12.637 ( -4.315 1.679 3.439) 5.767 12.997 ( 6.339 6.286 9.274) 12.873 14.034 ( 2.998 -1.255 2.242) 3.949 15.316 ( 12.993 0.746 3.474) 13.470 16.179 ( -3.980 2.266 -1.303) 4.761 16.337 ( 2.414 -5.541 -11.714) 13.181 16.594 ( -6.724 -7.416 1.431) 10.112 ======================= Grid point 111 (36/282) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.050 0.445 16.290) 16.330 2.194 ( 0.002 -3.518 6.551) 7.435 2.826 ( -0.927 1.464 -1.299) 2.165 3.048 ( -0.303 1.728 0.462) 1.814 3.171 ( -2.365 -3.483 6.874) 8.061 3.317 ( 3.057 1.879 2.187) 4.202 3.512 ( 1.836 -1.367 -5.505) 5.962 3.638 ( 2.715 -0.670 3.252) 4.289 3.880 ( 2.201 -1.343 -2.769) 3.784 4.146 ( 6.745 -8.573 -4.834) 11.932 4.248 ( -0.233 -8.407 -4.419) 9.500 4.732 ( -1.598 14.245 8.658) 16.746 4.872 ( 1.119 3.065 -3.156) 4.539 5.080 ( 4.564 1.361 -1.130) 4.894 5.396 ( 1.082 0.865 -0.487) 1.468 6.051 ( 8.514 -0.783 -4.920) 9.864 6.341 ( 6.904 -8.570 -0.670) 11.025 6.483 ( 3.054 -1.417 -4.920) 5.962 7.135 ( -6.309 4.691 2.800) 8.346 7.323 ( 2.793 6.200 -2.379) 7.204 7.471 ( -4.699 3.931 -1.234) 6.249 7.526 ( -8.548 -4.282 1.739) 9.718 7.712 ( -1.535 3.378 -0.343) 3.726 7.814 ( -4.245 0.624 1.297) 4.483 8.429 ( -4.088 -0.612 15.354) 15.900 8.857 ( 12.149 2.302 1.729) 12.486 8.950 ( 1.588 6.091 1.507) 6.472 9.162 ( -7.667 -3.454 3.636) 9.161 9.402 ( -3.869 -9.068 6.837) 11.998 9.770 ( 12.246 -0.196 0.207) 12.249 10.132 ( -6.670 4.816 -5.111) 9.685 10.306 ( -2.033 -11.722 -2.729) 12.206 10.541 ( 5.366 -4.349 -3.283) 7.648 10.718 ( 6.794 3.918 -6.708) 10.320 11.126 ( -5.712 -0.748 -5.769) 8.153 11.275 ( 2.083 -2.486 -2.779) 4.272 11.398 ( 4.915 -1.102 -5.407) 7.390 11.591 ( 1.799 3.661 4.574) 6.129 11.980 ( 3.759 0.937 -10.262) 10.969 12.008 ( -4.874 -5.609 6.262) 9.717 12.104 ( -3.986 3.264 -9.478) 10.788 12.570 ( -6.003 2.855 4.188) 7.857 13.105 ( 2.504 6.390 7.464) 10.140 14.103 ( 0.843 -1.216 3.477) 3.779 15.553 ( 13.991 0.093 3.143) 14.340 16.010 ( -15.460 -0.433 1.864) 15.578 16.346 ( 8.854 -0.457 -11.242) 14.317 16.588 ( -3.616 -7.192 2.829) 8.533 ======================= Grid point 112 (37/282) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -9.497 5.064 15.069) 18.518 2.156 ( -6.169 5.289 -1.691) 8.300 2.800 ( -0.651 -2.228 -1.258) 2.640 3.057 ( -0.286 1.126 2.834) 3.063 3.172 ( -5.986 -3.725 0.683) 7.084 3.311 ( -1.762 1.566 -3.288) 4.046 3.460 ( -3.839 -0.795 -2.608) 4.709 3.719 ( 2.166 -0.397 3.907) 4.485 3.827 ( -1.600 1.223 -5.663) 6.010 4.193 ( 2.513 -16.251 -10.888) 19.722 4.410 ( 2.777 -5.503 9.795) 11.573 4.715 ( 0.395 13.053 11.602) 17.468 4.847 ( 2.676 2.325 -4.106) 5.425 5.141 ( 3.480 0.301 2.311) 4.188 5.369 ( 0.583 4.634 -3.375) 5.762 6.079 ( 0.452 -2.204 -6.292) 6.682 6.439 ( -0.957 2.309 -2.446) 3.497 6.520 ( 5.147 -8.523 0.261) 9.960 7.022 ( -4.074 4.870 -1.445) 6.512 7.313 ( -0.043 1.632 -3.842) 4.175 7.372 ( 3.573 5.888 -3.030) 7.524 7.477 ( -4.261 -3.298 2.939) 6.138 7.674 ( 0.234 1.189 -0.679) 1.389 7.770 ( -1.631 -0.031 -0.282) 1.655 8.572 ( -4.410 -1.195 22.830) 23.283 8.906 ( 5.469 11.127 0.687) 12.417 9.068 ( -1.308 1.309 0.496) 1.915 9.095 ( 1.812 0.613 7.222) 7.472 9.398 ( -6.943 1.128 0.638) 7.063 9.729 ( -6.394 -3.051 -7.116) 10.042 10.184 ( 7.794 -2.810 5.848) 10.142 10.402 ( 2.578 -14.714 -1.431) 15.007 10.553 ( -1.337 5.763 0.642) 5.951 10.748 ( 8.769 -2.829 -9.872) 13.504 11.079 ( 3.762 -7.173 -4.889) 9.461 11.290 ( -2.838 -1.271 3.400) 4.608 11.450 ( 9.195 1.724 -6.446) 11.361 11.557 ( -6.820 6.540 4.646) 10.529 11.835 ( 1.450 8.629 -11.560) 14.498 12.004 ( 0.894 -0.546 -5.322) 5.424 12.119 ( 5.151 -5.758 -0.461) 7.739 12.523 ( -3.529 -0.746 3.984) 5.374 13.111 ( -3.111 5.856 4.503) 8.015 14.139 ( -1.892 -0.759 3.514) 4.063 15.776 ( -18.064 -1.865 1.103) 18.193 15.795 ( 12.945 -0.781 3.427) 13.413 16.382 ( 8.885 3.475 -6.470) 11.527 16.655 ( 0.555 -5.766 5.168) 7.763 ======================= Grid point 113 (38/282) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -17.954 10.020 10.805) 23.227 1.927 ( -12.369 9.405 -3.510) 15.930 2.806 ( -0.768 -4.548 -2.954) 5.477 3.015 ( -8.577 3.085 1.017) 9.172 3.088 ( -7.272 -0.322 0.603) 7.305 3.167 ( -4.880 0.968 -10.965) 12.040 3.328 ( -10.444 5.456 1.538) 11.883 3.734 ( 0.682 2.982 -3.125) 4.373 3.825 ( 0.032 -6.842 5.658) 8.878 4.290 ( 5.823 -17.592 -9.375) 20.767 4.546 ( -1.043 -1.813 10.017) 10.233 4.769 ( 1.401 8.066 12.558) 14.991 4.836 ( 3.513 -0.374 -6.134) 7.079 5.204 ( 0.139 0.137 0.904) 0.925 5.296 ( -0.254 6.093 0.030) 6.098 5.990 ( -4.509 -1.735 -6.645) 8.216 6.353 ( -4.492 4.373 0.365) 6.280 6.613 ( -2.264 -1.201 0.829) 2.694 6.955 ( 4.106 -1.249 -4.400) 6.146 7.237 ( -1.424 -0.842 -4.746) 5.026 7.417 ( 8.244 4.991 -1.681) 9.782 7.507 ( 0.308 -3.539 3.160) 4.755 7.680 ( 0.286 -1.288 -0.144) 1.327 7.773 ( 3.680 0.518 -1.353) 3.955 8.677 ( -8.178 0.759 15.408) 17.461 8.914 ( -10.869 3.049 4.819) 12.274 9.006 ( 8.908 9.819 8.046) 15.509 9.174 ( -0.252 9.418 -8.099) 12.424 9.253 ( -1.008 1.364 2.396) 2.935 9.668 ( -8.233 -13.343 4.079) 16.201 10.337 ( 7.463 2.026 -0.638) 7.759 10.444 ( 0.224 3.485 -5.178) 6.246 10.586 ( 3.689 -8.823 2.343) 9.846 10.815 ( 3.964 -5.719 -3.902) 7.978 11.188 ( -5.355 -7.004 2.770) 9.241 11.289 ( 1.020 -4.752 1.747) 5.165 11.474 ( 5.568 6.887 0.311) 8.862 11.511 ( 8.383 5.768 -2.076) 10.385 11.713 ( 3.046 6.228 -7.813) 10.446 11.945 ( 0.346 7.281 -4.809) 8.732 12.256 ( 10.791 -4.296 -4.453) 12.439 12.551 ( -1.686 -6.415 3.023) 7.289 13.023 ( -7.597 3.496 2.448) 8.714 14.122 ( -4.300 -0.203 1.911) 4.710 15.516 ( -18.792 -1.950 0.687) 18.905 16.021 ( 10.653 -2.102 3.292) 11.346 16.439 ( 9.236 5.715 -2.874) 11.235 16.781 ( 2.628 -2.157 8.301) 8.970 ======================= Grid point 114 (39/282) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -22.779 12.582 5.019) 26.503 1.571 ( -20.433 11.529 -1.656) 23.520 2.553 ( -28.995 16.068 -3.256) 33.309 2.844 ( -5.369 -2.931 -2.812) 6.732 2.940 ( -6.171 -0.049 -6.792) 9.177 3.048 ( -5.766 -1.300 2.406) 6.382 3.192 ( -3.097 5.102 0.377) 5.980 3.691 ( 0.973 4.989 -2.235) 5.553 3.961 ( 0.826 -13.037 3.289) 13.471 4.441 ( 6.777 -15.661 -6.776) 18.361 4.608 ( -1.405 3.201 7.320) 8.112 4.838 ( 2.943 -1.932 -4.825) 5.973 4.871 ( 2.329 2.267 9.565) 10.102 5.120 ( -3.202 3.248 -4.532) 6.430 5.292 ( -4.697 1.714 7.023) 8.620 5.884 ( -1.512 -0.356 -5.086) 5.318 6.250 ( -6.231 3.973 1.566) 7.554 6.492 ( -6.158 7.928 -1.848) 10.207 7.087 ( 8.795 -10.273 -2.148) 13.694 7.200 ( -0.262 -1.739 -2.199) 2.816 7.500 ( 7.816 2.594 -0.849) 8.279 7.582 ( 1.492 -4.430 2.161) 5.150 7.698 ( 0.542 -1.082 1.230) 1.725 7.829 ( 5.869 2.594 -1.390) 6.566 8.653 ( -8.192 -0.821 6.587) 10.544 8.749 ( -11.329 -1.469 0.540) 11.437 8.954 ( -7.856 4.617 -6.166) 11.003 9.144 ( 9.079 21.216 9.342) 24.896 9.305 ( 3.246 2.245 5.195) 6.524 9.747 ( -5.242 -14.254 10.717) 18.588 10.338 ( 5.172 3.111 -14.382) 15.597 10.414 ( 0.959 0.968 2.048) 2.460 10.718 ( 3.093 -5.883 1.083) 6.734 10.801 ( -13.030 -1.623 5.149) 14.105 11.123 ( 0.271 -0.757 -0.845) 1.167 11.400 ( 7.633 -4.564 -2.912) 9.358 11.534 ( 8.631 6.721 -5.325) 12.167 11.608 ( 0.399 12.188 0.911) 12.228 11.740 ( 10.636 -3.124 6.003) 12.606 11.870 ( 8.185 5.463 -4.359) 10.763 12.413 ( 11.055 -4.027 -4.758) 12.692 12.602 ( -1.792 -7.209 1.106) 7.510 12.892 ( -9.452 0.753 1.330) 9.575 14.053 ( -5.276 0.089 -0.607) 5.311 15.253 ( -18.038 -1.338 0.862) 18.108 16.213 ( 7.336 -4.352 2.686) 8.943 16.511 ( 8.412 6.440 -0.833) 10.627 16.918 ( 3.519 3.283 10.622) 11.661 ======================= Grid point 115 (40/282) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -26.124 13.176 2.988) 29.411 1.105 ( -26.973 12.061 0.617) 29.554 1.832 ( -41.039 26.590 5.107) 49.166 2.729 ( -6.279 -0.550 -3.814) 7.367 2.836 ( -3.003 -2.181 -2.246) 4.338 3.016 ( -5.193 -2.004 4.503) 7.159 3.122 ( -3.072 4.506 1.867) 5.765 3.644 ( 0.890 5.043 -2.096) 5.534 4.089 ( 1.319 -14.645 -3.162) 15.040 4.540 ( 2.149 0.925 -5.791) 6.246 4.628 ( 2.772 -5.367 -0.957) 6.116 4.849 ( 1.879 -0.246 -3.587) 4.057 4.972 ( 1.624 1.747 6.329) 6.764 5.052 ( -3.366 -3.365 4.897) 6.829 5.237 ( -7.498 1.416 4.779) 9.003 5.857 ( 2.791 1.063 -2.971) 4.212 6.124 ( -7.190 4.458 0.105) 8.461 6.335 ( -3.266 6.991 -2.165) 8.014 7.217 ( -0.873 -2.991 6.779) 7.461 7.300 ( 9.075 -12.431 -2.093) 15.533 7.591 ( 6.359 1.459 0.105) 6.525 7.654 ( 0.881 -4.749 1.401) 5.029 7.735 ( 1.001 0.208 2.520) 2.720 7.861 ( 3.272 5.087 -0.880) 6.112 8.568 ( -8.957 -5.201 -0.461) 10.368 8.634 ( -7.347 -1.968 1.471) 7.747 8.779 ( -5.038 4.372 -1.042) 6.752 9.175 ( 9.058 16.157 2.433) 18.682 9.399 ( 2.760 8.754 13.034) 15.942 9.888 ( -2.215 -7.455 6.823) 10.346 10.266 ( 0.964 -5.141 -6.465) 8.316 10.428 ( -0.865 -0.187 -0.748) 1.159 10.608 ( -12.652 2.424 4.012) 13.493 10.793 ( 0.766 -1.782 -0.840) 2.114 11.183 ( 8.391 0.589 -3.410) 9.076 11.389 ( -3.787 13.345 -5.737) 15.012 11.520 ( 7.497 0.331 -4.471) 8.735 11.624 ( 9.349 5.891 3.960) 11.739 11.935 ( 5.189 -8.829 4.112) 11.035 12.111 ( 15.474 1.040 7.587) 17.265 12.549 ( 8.429 -3.071 -3.934) 9.796 12.619 ( -2.057 -3.866 -0.457) 4.403 12.757 ( -8.243 -0.094 -0.193) 8.246 13.957 ( -4.361 0.138 -3.171) 5.394 15.015 ( -15.487 -0.601 2.115) 15.642 16.363 ( 2.744 -8.586 1.952) 9.223 16.572 ( 5.666 5.240 0.146) 7.719 17.035 ( 6.074 10.027 6.905) 13.606 ======================= Grid point 116 (41/282) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -25.320 12.944 3.522) 28.654 0.673 ( -26.452 9.189 17.637) 33.094 1.123 ( -40.182 26.497 27.384) 55.377 2.634 ( -2.935 0.138 -0.248) 2.949 2.819 ( -0.995 -1.355 1.585) 2.311 3.024 ( -3.537 -1.829 6.052) 7.244 3.120 ( 2.556 1.540 13.859) 14.177 3.604 ( 0.879 3.098 -2.272) 3.941 4.155 ( 1.192 -12.585 -8.815) 15.411 4.422 ( 1.861 8.767 -12.677) 15.525 4.695 ( 1.659 -3.966 -5.665) 7.112 4.876 ( 4.232 -3.866 4.476) 7.273 5.062 ( 0.017 -5.356 6.699) 8.577 5.104 ( -1.758 -1.587 3.369) 4.118 5.174 ( -4.816 2.441 6.499) 8.449 5.868 ( 3.465 2.974 -2.419) 5.168 5.976 ( -5.239 3.678 -3.071) 7.099 6.246 ( -0.951 3.619 -1.765) 4.138 7.421 ( 7.523 -11.860 16.165) 21.414 7.508 ( 6.832 -12.374 -0.597) 14.148 7.667 ( 4.817 2.471 0.891) 5.486 7.707 ( 0.271 -2.362 1.756) 2.956 7.759 ( 0.088 1.814 1.975) 2.683 7.833 ( -0.885 6.302 0.955) 6.435 8.499 ( -3.758 -4.258 -0.138) 5.681 8.552 ( -4.816 1.064 0.586) 4.967 8.723 ( -2.670 -1.461 3.140) 4.373 9.241 ( 9.842 4.859 -4.419) 11.832 9.588 ( 11.007 4.272 17.524) 21.130 9.855 ( -1.372 2.063 -8.617) 8.966 10.334 ( -6.080 -1.438 -2.513) 6.734 10.394 ( 2.792 -9.396 5.410) 11.196 10.515 ( -3.603 1.846 5.830) 7.098 10.749 ( 1.353 3.350 -9.150) 9.838 11.192 ( 2.050 3.237 -7.690) 8.592 11.324 ( 4.433 3.326 7.309) 9.173 11.576 ( 3.049 1.561 1.798) 3.869 11.809 ( 10.634 2.834 7.361) 13.240 12.101 ( -0.529 -15.852 -0.283) 15.864 12.318 ( 4.508 6.427 2.061) 8.116 12.614 ( -0.273 -0.452 3.409) 3.450 12.625 ( 2.272 0.554 2.310) 3.288 12.696 ( 5.030 -0.612 -3.635) 6.236 13.869 ( -1.495 -0.035 -5.109) 5.323 14.853 ( -9.805 -0.223 4.569) 10.819 16.450 ( -8.915 -19.394 -2.980) 21.552 16.602 ( 2.108 2.597 -0.588) 3.396 16.920 ( -3.410 27.676 -24.499) 37.119 ======================= Grid point 118 (42/282) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 3.179 0.000 28.965) 29.139 1.433 ( 15.058 0.000 18.160) 23.591 2.204 ( 28.952 0.000 20.350) 35.388 2.971 ( 9.509 0.000 4.419) 10.486 3.082 ( -1.109 -0.000 7.349) 7.432 3.171 ( 5.448 0.000 10.974) 12.252 3.289 ( -5.767 -0.000 1.510) 5.961 3.599 ( 3.478 0.000 -0.945) 3.604 3.850 ( 0.540 0.000 -15.171) 15.181 4.064 ( 2.156 0.000 -16.819) 16.956 4.475 ( -1.945 -0.000 -11.692) 11.853 4.944 ( 1.008 0.000 -5.831) 5.918 4.996 ( 3.279 0.000 2.308) 4.010 5.112 ( -5.729 -0.000 3.316) 6.620 5.263 ( -2.100 -0.000 6.214) 6.559 5.845 ( 6.534 0.000 -3.982) 7.652 6.063 ( 8.472 0.000 -2.898) 8.954 6.255 ( 5.313 0.000 -3.063) 6.133 7.524 ( -4.679 -0.000 -3.969) 6.136 7.533 ( -7.311 -0.000 7.335) 10.357 7.601 ( -4.486 -0.000 -2.231) 5.010 7.650 ( -8.516 -0.000 3.187) 9.093 7.813 ( -2.149 -0.000 5.194) 5.621 7.875 ( -2.928 -0.000 6.015) 6.690 8.494 ( -6.178 -0.000 4.414) 7.593 8.546 ( 4.121 0.000 -0.173) 4.124 8.827 ( -0.097 -0.000 5.407) 5.408 9.002 ( -2.030 -0.000 13.645) 13.795 9.205 ( -1.291 -0.000 -3.325) 3.567 9.523 ( 4.295 0.000 -9.320) 10.262 10.162 ( 0.106 0.000 -4.352) 4.353 10.172 ( 12.798 0.000 -11.170) 16.987 10.584 ( 0.873 0.000 0.161) 0.887 10.917 ( 0.543 0.000 6.749) 6.770 11.217 ( 1.356 0.000 -2.201) 2.585 11.451 ( 3.953 0.000 -2.554) 4.706 11.458 ( -9.900 -0.000 -11.980) 15.541 11.638 ( -12.582 -0.000 -10.704) 16.519 11.696 ( 3.063 0.000 2.638) 4.042 12.327 ( -13.296 -0.000 9.323) 16.239 12.512 ( -3.907 -0.000 -6.415) 7.511 12.629 ( 5.580 0.000 0.195) 5.583 12.919 ( 4.049 0.000 6.300) 7.488 13.944 ( 4.297 0.000 0.784) 4.368 15.111 ( 10.256 0.000 4.941) 11.384 16.121 ( 17.625 0.000 -15.232) 23.295 16.439 ( -9.939 -0.000 -0.728) 9.965 16.563 ( -6.113 -0.000 2.274) 6.522 ======================= Grid point 119 (43/282) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.107 1.842 23.717) 23.991 1.832 ( 11.359 -6.564 14.538) 19.582 2.714 ( 15.084 -3.520 7.442) 17.185 3.045 ( -1.741 0.781 2.181) 2.898 3.178 ( -2.526 2.444 4.384) 5.619 3.224 ( 4.168 -0.993 6.151) 7.496 3.402 ( 7.070 -0.778 6.885) 9.900 3.681 ( 4.604 4.811 -3.579) 7.560 3.730 ( 4.368 -1.407 -2.327) 5.145 3.968 ( 2.849 -5.844 -14.404) 15.803 4.309 ( -3.832 -0.693 -13.109) 13.675 4.898 ( 1.774 1.995 -5.226) 5.868 5.042 ( -4.222 6.899 4.867) 9.440 5.077 ( 6.245 2.240 -1.218) 6.745 5.303 ( -2.362 -4.429 5.794) 7.666 5.944 ( 11.014 0.137 -4.044) 11.734 6.150 ( 7.011 0.039 -3.424) 7.803 6.335 ( 6.639 -4.830 -3.792) 9.043 7.356 ( -7.618 7.287 0.488) 10.553 7.495 ( -2.858 4.858 -2.449) 6.145 7.514 ( -8.249 -6.526 2.873) 10.904 7.584 ( -5.847 -1.185 3.187) 6.764 7.804 ( -2.748 2.974 4.031) 5.714 7.872 ( -4.911 -0.506 4.260) 6.521 8.433 ( -7.927 2.087 8.641) 11.910 8.644 ( 5.945 -3.291 2.530) 7.251 8.919 ( 1.246 -3.968 6.945) 8.096 9.127 ( -0.262 -2.243 1.608) 2.772 9.197 ( 3.524 -1.188 5.662) 6.774 9.540 ( 9.039 0.341 -6.348) 11.051 10.153 ( 0.264 -3.729 -2.071) 4.273 10.287 ( 10.939 -1.650 -5.828) 12.504 10.573 ( -0.303 2.898 -4.530) 5.386 10.862 ( -3.435 6.505 -6.831) 10.039 11.193 ( -2.682 -5.177 -5.748) 8.188 11.292 ( -0.738 2.852 -0.395) 2.972 11.393 ( -4.494 -2.734 -10.905) 12.108 11.528 ( 6.170 0.543 1.426) 6.356 11.767 ( 1.043 -3.679 2.956) 4.834 12.180 ( -12.759 0.975 3.459) 13.256 12.367 ( -2.484 2.295 -11.561) 12.045 12.658 ( -3.014 0.830 3.374) 4.600 13.071 ( 5.838 2.732 9.360) 11.364 14.018 ( 2.938 -0.655 2.290) 3.783 15.326 ( 12.916 0.437 3.121) 13.295 16.207 ( 0.795 0.962 -5.320) 5.464 16.274 ( 0.744 -2.050 -9.420) 9.669 16.503 ( -6.450 -3.598 2.492) 7.795 ======================= Grid point 120 (44/282) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.403 2.867 20.198) 20.405 2.133 ( 6.178 -4.102 9.458) 12.019 2.841 ( -0.768 -0.250 -1.550) 1.748 3.018 ( -4.087 -1.884 1.615) 4.781 3.173 ( -1.055 0.613 2.896) 3.142 3.329 ( 1.103 0.095 2.726) 2.943 3.517 ( 4.870 1.927 -3.468) 6.282 3.640 ( 3.595 0.815 -1.529) 3.991 3.853 ( 3.503 -2.241 -4.003) 5.772 4.024 ( 6.016 -6.125 -0.926) 8.635 4.142 ( -2.604 -5.244 -8.395) 10.236 4.879 ( 2.739 2.830 -1.566) 4.238 4.983 ( -1.223 11.975 6.541) 13.700 5.126 ( 5.365 4.209 -1.183) 6.921 5.369 ( -0.373 -4.662 3.654) 5.935 6.055 ( 9.159 0.975 -6.844) 11.475 6.230 ( 5.407 -4.942 -1.862) 7.558 6.430 ( 5.728 -4.740 -4.843) 8.873 7.205 ( -7.752 4.584 1.656) 9.157 7.403 ( -2.746 2.267 -1.171) 3.749 7.454 ( -4.888 -2.256 0.149) 5.386 7.531 ( -3.560 2.220 0.788) 4.268 7.763 ( -3.421 2.860 1.465) 4.694 7.819 ( -5.461 0.158 1.879) 5.777 8.426 ( -7.196 0.290 16.577) 18.074 8.835 ( 8.615 -4.442 7.403) 12.196 9.019 ( 1.114 2.124 6.031) 6.491 9.107 ( -4.531 -2.844 2.199) 5.784 9.346 ( 5.969 1.766 4.843) 7.887 9.699 ( 14.267 -7.178 -2.772) 16.210 10.178 ( -0.446 -4.981 0.065) 5.002 10.226 ( -14.395 5.895 -6.568) 16.885 10.514 ( 12.684 0.872 -10.882) 16.735 10.773 ( 4.421 2.687 -5.984) 7.910 11.065 ( -7.950 -6.140 -9.029) 13.507 11.282 ( 4.725 2.680 -3.700) 6.573 11.381 ( 3.781 -1.075 0.001) 3.931 11.640 ( 5.974 2.384 2.592) 6.935 11.854 ( 0.788 -8.137 3.159) 8.765 12.013 ( -9.667 0.047 -0.167) 9.669 12.180 ( -1.318 4.654 -14.484) 15.270 12.615 ( -5.599 2.529 4.803) 7.798 13.199 ( 1.890 5.040 9.285) 10.732 14.083 ( 1.129 -1.120 3.033) 3.425 15.557 ( 13.848 0.335 2.553) 14.085 16.005 ( -16.292 -0.154 0.335) 16.296 16.339 ( 13.298 -0.409 -11.988) 17.908 16.486 ( -3.272 -5.454 3.083) 7.068 ======================= Grid point 121 (45/282) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -5.463 6.269 17.831) 19.675 2.236 ( -0.262 4.621 1.557) 4.883 2.782 ( -2.206 -0.478 -3.056) 3.800 2.999 ( -4.279 -6.461 1.284) 7.855 3.160 ( -3.659 0.483 2.627) 4.530 3.316 ( -3.873 -0.726 -0.464) 3.968 3.466 ( -1.019 2.875 -7.282) 7.895 3.715 ( 3.921 -1.578 0.994) 4.342 3.846 ( 1.347 0.555 -6.027) 6.201 3.982 ( -0.636 -9.738 -9.365) 13.526 4.289 ( 3.034 -8.709 7.527) 11.905 4.900 ( 3.518 5.806 2.162) 7.125 4.943 ( -0.713 13.453 7.525) 15.432 5.164 ( 3.764 2.632 0.452) 4.615 5.412 ( 0.473 0.415 0.863) 1.068 6.053 ( 1.013 -0.932 -8.704) 8.812 6.351 ( 3.843 -9.375 -0.887) 10.171 6.475 ( 3.001 -0.959 -3.710) 4.867 7.078 ( -6.240 2.936 0.525) 6.916 7.331 ( -5.022 -0.706 -1.594) 5.316 7.451 ( 6.271 3.289 -1.726) 7.289 7.460 ( -3.768 2.668 1.204) 4.772 7.697 ( -2.734 1.607 -0.421) 3.200 7.763 ( -2.470 -0.848 -0.523) 2.663 8.536 ( -6.633 -3.022 23.313) 24.426 9.025 ( -1.716 3.085 2.679) 4.432 9.067 ( -6.490 -0.858 12.545) 14.150 9.110 ( 10.896 1.379 3.463) 11.516 9.439 ( 5.531 5.403 1.880) 7.957 9.784 ( -10.882 8.590 -13.639) 19.448 10.033 ( 8.795 -14.961 2.413) 17.522 10.241 ( 2.163 -6.135 0.982) 6.579 10.605 ( 9.563 1.063 -8.648) 12.937 10.763 ( 4.242 3.222 -6.338) 8.279 10.958 ( 0.331 -8.165 -7.698) 11.227 11.298 ( -0.260 2.492 2.048) 3.237 11.461 ( 5.797 -0.004 0.030) 5.797 11.663 ( -1.119 6.941 0.878) 7.085 11.924 ( -1.030 -0.824 -2.384) 2.725 11.976 ( 3.509 -3.927 -6.856) 8.645 12.006 ( 1.978 -2.870 -5.328) 6.366 12.557 ( -4.614 3.838 4.798) 7.684 13.215 ( -4.460 6.961 7.049) 10.864 14.121 ( -1.422 -1.389 2.715) 3.365 15.750 ( -17.895 -1.282 0.097) 17.941 15.786 ( 12.217 -0.503 2.993) 12.589 16.427 ( 11.395 2.323 -6.826) 13.484 16.563 ( 3.285 -5.809 3.795) 7.677 ======================= Grid point 122 (46/282) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -13.039 12.087 12.952) 21.997 2.096 ( -7.371 12.197 -3.235) 14.614 2.745 ( -0.731 -3.465 -3.448) 4.942 2.981 ( -5.420 -5.861 -1.571) 8.136 3.119 ( -5.411 1.562 4.541) 7.234 3.194 ( -5.031 2.079 -10.908) 12.191 3.350 ( -10.032 -0.775 4.471) 11.011 3.766 ( 1.993 1.130 -3.819) 4.453 3.797 ( -0.385 1.837 2.121) 2.832 4.036 ( 5.948 -14.471 -8.734) 17.919 4.440 ( -1.076 -9.606 6.749) 11.789 4.887 ( -0.926 8.326 1.117) 8.451 4.934 ( 2.155 10.208 8.179) 13.257 5.204 ( 0.416 0.217 1.784) 1.845 5.392 ( 0.502 5.795 -0.652) 5.854 5.953 ( -4.327 -2.693 -7.426) 9.006 6.402 ( -3.053 -0.928 -0.430) 3.220 6.521 ( 2.994 -6.623 -0.541) 7.289 6.985 ( -2.071 2.969 -1.740) 4.017 7.233 ( -2.971 0.364 -4.756) 5.619 7.424 ( -3.934 -2.126 4.013) 6.008 7.519 ( 7.123 3.673 -1.830) 8.221 7.667 ( -0.069 -0.466 -0.444) 0.648 7.772 ( 5.023 -0.611 -1.805) 5.373 8.653 ( -10.211 -3.614 17.408) 20.503 8.943 ( -13.045 2.470 4.821) 14.125 9.072 ( -1.054 -0.177 7.748) 7.821 9.335 ( 10.066 4.337 6.677) 12.834 9.390 ( 1.358 15.652 -9.595) 18.409 9.523 ( -3.417 -1.364 1.302) 3.903 10.300 ( 7.942 -7.678 1.456) 11.142 10.350 ( 4.095 -8.676 -2.626) 9.947 10.592 ( 5.374 3.279 -8.834) 10.848 10.765 ( 5.794 -1.240 -5.540) 8.112 11.054 ( 3.014 -8.920 1.237) 9.497 11.264 ( -4.550 1.746 4.973) 6.963 11.527 ( 4.587 1.122 -2.181) 5.202 11.621 ( 4.458 7.093 1.344) 8.485 11.821 ( 3.089 7.167 -9.136) 12.015 11.985 ( 4.606 -2.131 -5.462) 7.456 12.160 ( 6.586 -8.420 0.596) 10.707 12.517 ( -2.333 2.426 3.105) 4.579 13.103 ( -10.212 6.721 4.597) 13.061 14.108 ( -4.150 -1.528 0.983) 4.530 15.486 ( -18.202 -1.727 0.180) 18.284 15.989 ( 8.865 -2.065 3.363) 9.704 16.521 ( 10.476 4.627 -2.736) 11.774 16.735 ( 7.759 -3.494 5.780) 10.287 ======================= Grid point 123 (47/282) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -17.000 17.675 5.275) 25.084 1.785 ( -14.998 16.022 -2.623) 22.102 2.709 ( -4.121 -0.128 -4.066) 5.791 2.859 ( -11.735 4.710 -1.887) 12.785 2.954 ( -7.947 2.802 -8.414) 11.908 3.046 ( -9.350 2.364 8.202) 12.660 3.248 ( -6.093 1.053 1.482) 6.358 3.748 ( 2.580 0.349 -3.739) 4.556 3.822 ( -0.594 -1.987 2.714) 3.416 4.194 ( 8.009 -15.744 -5.473) 18.492 4.552 ( -2.766 -9.358 7.355) 12.219 4.822 ( 0.366 2.530 -4.267) 4.974 4.974 ( 0.838 8.806 10.195) 13.497 5.167 ( -2.442 2.130 -4.267) 5.358 5.346 ( -3.058 5.305 3.057) 6.844 5.859 ( -1.755 -2.747 -4.704) 5.723 6.324 ( -5.644 4.204 2.171) 7.365 6.559 ( -3.040 -0.758 -0.809) 3.236 6.969 ( 4.837 -3.335 -3.421) 6.798 7.169 ( -1.220 -2.088 -2.967) 3.828 7.440 ( -3.883 -6.620 4.126) 8.713 7.578 ( 5.792 0.745 -1.755) 6.098 7.687 ( 1.572 -0.224 1.388) 2.109 7.866 ( 9.059 2.160 -2.223) 9.575 8.618 ( -11.894 -3.406 5.929) 13.720 8.734 ( -13.631 -0.698 -0.586) 13.661 9.007 ( -8.732 2.452 -1.086) 9.134 9.367 ( 5.724 4.650 -1.925) 7.622 9.492 ( 15.594 21.214 10.716) 28.426 9.566 ( -2.932 -6.137 11.692) 13.527 10.340 ( 3.309 -3.259 -18.642) 19.212 10.406 ( 4.088 -1.363 -3.219) 5.379 10.665 ( 6.220 -1.422 3.638) 7.344 10.803 ( -3.636 0.810 2.253) 4.353 11.067 ( -4.366 -5.429 3.308) 7.712 11.324 ( 5.428 -3.768 -1.137) 6.705 11.629 ( 6.941 4.992 -3.513) 9.243 11.688 ( 10.953 -2.942 3.329) 11.820 11.794 ( 6.678 10.261 1.749) 12.367 11.972 ( 3.180 6.346 -5.604) 9.044 12.327 ( 7.927 -7.531 -1.944) 11.105 12.515 ( 0.073 -2.311 0.319) 2.334 12.921 ( -12.598 3.479 3.626) 13.564 14.042 ( -5.502 -1.690 -1.447) 5.935 15.231 ( -17.327 -1.431 0.776) 17.404 16.149 ( 4.713 -4.026 2.973) 6.874 16.611 ( 8.596 6.215 -0.696) 10.630 16.948 ( 9.586 0.513 7.600) 12.244 ======================= Grid point 124 (48/282) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -19.105 20.959 0.136) 28.360 1.363 ( -18.470 21.015 0.453) 27.982 2.310 ( -26.047 32.513 4.717) 41.927 2.708 ( -5.610 -2.463 -2.141) 6.490 2.803 ( -4.076 -1.616 -3.283) 5.477 2.997 ( -6.634 -0.341 7.487) 10.009 3.183 ( -2.818 2.510 1.124) 3.937 3.734 ( 2.493 4.962 -3.415) 6.519 3.874 ( 0.343 -10.946 -2.466) 11.225 4.384 ( 5.527 -13.608 -1.915) 14.812 4.637 ( -2.061 -3.329 5.735) 6.944 4.780 ( 1.723 -4.135 -7.179) 8.462 5.004 ( -2.757 2.153 2.109) 4.085 5.078 ( 1.181 5.565 1.519) 5.889 5.263 ( -7.367 2.736 3.753) 8.709 5.852 ( 2.671 -1.695 -2.966) 4.336 6.215 ( -6.239 6.174 2.064) 9.017 6.453 ( -3.409 7.220 -2.054) 8.244 7.105 ( 7.426 -11.932 -2.420) 14.261 7.166 ( -1.081 -3.607 2.007) 4.267 7.481 ( -4.104 -9.555 3.730) 11.048 7.656 ( 5.740 -0.568 -0.468) 5.787 7.735 ( 1.128 0.000 3.364) 3.549 7.939 ( 6.586 4.922 -2.348) 8.550 8.481 ( -10.513 -5.741 -2.040) 12.150 8.593 ( -8.884 -3.631 2.009) 9.805 8.861 ( -4.259 5.974 -0.814) 7.381 9.350 ( 5.180 6.995 -5.899) 10.515 9.590 ( 2.073 10.166 9.322) 13.947 9.811 ( 8.289 2.646 17.443) 19.493 10.219 ( 2.219 -1.730 -15.078) 15.339 10.404 ( 1.643 -2.127 -8.843) 9.242 10.674 ( -8.765 5.632 2.810) 10.790 10.784 ( 2.000 0.687 5.294) 5.701 11.159 ( 6.262 -3.691 0.517) 7.287 11.448 ( 8.002 -8.458 -5.222) 12.761 11.583 ( -0.859 7.090 -4.595) 8.492 11.778 ( 0.358 13.186 2.208) 13.374 11.869 ( 5.977 3.411 3.489) 7.716 12.098 ( 16.142 -2.409 5.564) 17.244 12.471 ( 5.371 -7.217 -1.495) 9.119 12.557 ( 3.915 -3.391 -2.623) 5.805 12.761 ( -10.242 0.867 3.287) 10.791 13.949 ( -4.683 -1.535 -3.668) 6.143 15.004 ( -14.937 -0.724 2.171) 15.112 16.247 ( -0.520 -6.450 1.978) 6.767 16.664 ( 5.196 6.448 -0.075) 8.281 17.151 ( 10.630 4.655 4.590) 12.479 ======================= Grid point 125 (49/282) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -15.692 24.342 1.128) 28.983 0.973 ( -13.907 26.488 10.615) 31.744 1.703 ( -25.702 43.605 17.905) 53.690 2.636 ( -2.640 -0.189 -0.096) 2.648 2.782 ( -1.072 -3.161 2.077) 3.932 2.994 ( -4.532 -1.466 8.412) 9.667 3.160 ( -1.133 2.720 7.069) 7.658 3.687 ( 1.691 6.746 -3.002) 7.575 3.933 ( 1.459 -14.158 -8.434) 16.545 4.487 ( -0.066 -4.993 -3.878) 6.322 4.624 ( 2.722 0.245 -6.201) 6.777 4.833 ( 2.119 -5.698 -0.514) 6.101 4.944 ( -3.558 -4.874 1.818) 6.302 5.123 ( 0.472 2.210 3.353) 4.043 5.188 ( -5.296 1.068 6.647) 8.565 5.881 ( 3.619 -1.162 -4.162) 5.637 6.081 ( -4.289 8.013 -1.533) 9.217 6.342 ( -0.894 8.079 -1.626) 8.289 7.251 ( 0.388 -8.945 8.294) 12.205 7.299 ( 5.210 -14.091 0.180) 15.024 7.538 ( -3.511 -10.863 4.319) 12.206 7.735 ( 2.985 0.280 1.401) 3.309 7.785 ( 0.909 -0.110 4.195) 4.294 7.941 ( 2.631 7.503 -1.736) 8.139 8.407 ( -3.757 -7.094 0.050) 8.028 8.529 ( -5.591 -3.542 1.558) 6.799 8.767 ( -1.898 6.223 0.346) 6.515 9.327 ( 6.299 5.454 -6.973) 10.865 9.627 ( -1.479 1.011 6.231) 6.483 9.918 ( 2.122 4.844 -8.541) 10.046 10.286 ( 5.932 -1.025 12.234) 13.635 10.309 ( -0.625 -3.192 -13.989) 14.362 10.579 ( -0.564 6.882 3.996) 7.978 10.813 ( -1.443 4.064 2.787) 5.135 11.242 ( 5.695 1.416 -11.771) 13.152 11.413 ( 0.877 7.022 1.840) 7.312 11.582 ( 3.342 -0.544 -2.322) 4.106 11.800 ( 1.132 -8.924 2.789) 9.418 11.949 ( 0.932 3.490 6.902) 7.790 12.341 ( 3.382 -2.890 0.710) 4.505 12.596 ( 5.839 -2.650 3.632) 7.369 12.622 ( 3.820 -0.681 -1.353) 4.109 12.684 ( 0.507 -0.502 -0.076) 0.717 13.863 ( -1.724 -0.914 -5.041) 5.405 14.847 ( -9.689 -0.342 4.472) 10.677 16.257 ( -7.416 -7.943 -0.449) 10.877 16.670 ( 2.110 5.699 -0.709) 6.118 17.211 ( 5.991 10.780 -13.903) 18.584 ======================= Grid point 126 (50/282) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 6.270 15.572 21.554) 27.320 0.831 ( 1.415 21.978 22.908) 31.778 1.329 ( -8.368 41.301 32.116) 52.984 2.648 ( 2.571 0.269 3.263) 4.163 2.845 ( 1.859 -1.930 5.534) 6.149 3.023 ( -2.696 -0.989 5.578) 6.274 3.289 ( 2.188 -6.666 9.032) 11.437 3.630 ( 1.228 5.628 -2.934) 6.465 3.968 ( 2.171 -13.755 -12.241) 18.540 4.384 ( 2.058 6.673 -13.671) 15.351 4.630 ( 1.749 -4.127 -7.168) 8.454 4.882 ( -0.450 -7.475 0.957) 7.550 5.037 ( -1.535 -9.724 6.847) 11.991 5.081 ( -2.948 0.809 -1.220) 3.292 5.220 ( -1.785 1.826 8.007) 8.404 5.886 ( 0.994 -1.544 -6.052) 6.325 5.950 ( 1.060 8.641 -2.981) 9.202 6.269 ( 1.102 6.906 -1.822) 7.227 7.440 ( -3.944 -16.320 6.685) 18.072 7.468 ( 3.778 -14.979 0.501) 15.456 7.638 ( -0.367 -10.142 4.785) 11.220 7.768 ( -1.895 -1.372 3.670) 4.352 7.835 ( -0.278 1.618 4.185) 4.496 7.875 ( 0.421 10.471 -1.559) 10.595 8.465 ( 1.763 -5.307 2.052) 5.956 8.506 ( -1.986 -2.158 0.974) 3.090 8.718 ( -1.733 2.444 3.344) 4.490 9.306 ( 3.864 3.354 -6.787) 8.499 9.591 ( -13.041 0.990 0.302) 13.082 9.734 ( -8.306 4.756 -11.880) 15.256 10.141 ( -2.541 -2.507 -10.740) 11.317 10.413 ( -0.206 1.849 -2.832) 3.389 10.643 ( 0.047 6.802 5.639) 8.836 10.729 ( 0.583 5.650 -0.712) 5.724 11.179 ( 1.323 0.762 -2.836) 3.221 11.498 ( 6.058 3.646 4.562) 8.414 11.535 ( -3.752 -0.274 -4.228) 5.659 11.868 ( -7.728 -14.691 -7.133) 18.067 12.051 ( 5.941 1.257 13.076) 14.417 12.285 ( -4.091 2.170 -6.375) 7.880 12.577 ( -5.842 -0.998 0.347) 5.937 12.710 ( -3.928 -1.249 2.451) 4.796 12.756 ( 5.596 -1.899 -1.688) 6.145 13.834 ( 3.838 -0.151 -4.230) 5.714 14.818 ( -1.581 -0.533 6.614) 6.821 16.088 ( -5.484 8.896 -9.600) 14.191 16.623 ( -1.112 4.366 -2.202) 5.014 16.867 ( -4.156 21.740 -13.641) 25.999 ======================= Grid point 129 (51/282) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.735 -0.000 23.493) 23.504 2.091 ( 10.167 0.000 8.928) 13.531 2.831 ( -0.180 -0.000 -1.050) 1.065 3.013 ( -3.901 -0.000 -0.280) 3.911 3.170 ( -2.855 -0.000 3.747) 4.710 3.330 ( 0.984 0.000 2.222) 2.430 3.539 ( 6.356 0.000 1.130) 6.456 3.653 ( 3.199 0.000 -9.447) 9.974 3.827 ( 3.016 0.000 -6.626) 7.280 3.975 ( 8.837 0.000 7.848) 11.819 4.100 ( -5.680 -0.000 -12.711) 13.923 4.895 ( 3.206 0.000 -2.747) 4.222 5.094 ( 2.277 0.000 3.455) 4.138 5.199 ( 5.742 0.000 2.239) 6.164 5.285 ( -3.918 -0.000 5.569) 6.809 6.064 ( 9.430 0.000 -6.423) 11.410 6.198 ( 4.318 0.000 -4.032) 5.907 6.381 ( 6.648 0.000 -3.848) 7.681 7.253 ( -8.370 -0.000 -0.633) 8.393 7.384 ( -9.085 -0.000 4.069) 9.955 7.464 ( 1.131 0.000 -3.631) 3.804 7.547 ( -2.805 -0.000 1.411) 3.140 7.787 ( -4.503 -0.000 2.136) 4.984 7.820 ( -5.994 -0.000 2.126) 6.360 8.432 ( -9.800 -0.000 17.729) 20.257 8.784 ( 6.629 0.000 10.543) 12.454 9.034 ( 4.934 0.000 7.151) 8.688 9.085 ( -3.520 -0.000 0.569) 3.566 9.380 ( 9.849 0.000 6.006) 11.536 9.628 ( 11.777 0.000 -7.152) 13.779 10.139 ( -0.030 -0.000 1.120) 1.120 10.274 ( -12.258 -0.000 -3.601) 12.776 10.535 ( 12.301 0.000 -15.863) 20.074 10.796 ( 2.660 0.000 -6.509) 7.032 11.000 ( -7.635 -0.000 -7.888) 10.978 11.314 ( 8.395 0.000 -11.779) 14.464 11.369 ( 1.224 0.000 8.068) 8.160 11.658 ( 7.463 0.000 2.251) 7.795 11.785 ( -0.264 -0.000 3.206) 3.216 12.013 ( -12.012 -0.000 1.073) 12.060 12.218 ( -0.953 -0.000 -15.101) 15.131 12.636 ( -5.242 -0.000 5.080) 7.300 13.241 ( 1.778 0.000 9.890) 10.049 14.074 ( 1.237 0.000 2.804) 3.065 15.560 ( 13.686 0.000 2.371) 13.889 16.005 ( -16.469 -0.000 -0.377) 16.474 16.335 ( 15.051 0.000 -12.325) 19.453 16.440 ( -3.241 -0.000 3.385) 4.686 ======================= Grid point 130 (52/282) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -3.539 3.805 20.511) 21.160 2.283 ( 5.265 1.333 4.744) 7.211 2.767 ( -4.243 -1.391 -3.570) 5.717 2.935 ( -4.861 -1.279 -1.734) 5.317 3.149 ( -4.959 -1.302 3.310) 6.103 3.305 ( -4.531 -0.381 -0.413) 4.566 3.543 ( 0.542 6.182 -9.511) 11.356 3.653 ( 4.158 -5.982 -5.106) 8.896 3.825 ( 4.375 -1.657 -5.389) 7.137 3.925 ( -2.920 0.148 -6.553) 7.175 4.180 ( 2.773 -4.288 9.116) 10.449 4.951 ( 4.799 1.529 2.098) 5.456 5.140 ( 1.121 8.158 4.379) 9.327 5.224 ( 0.736 6.367 2.157) 6.763 5.365 ( 1.269 -6.522 5.457) 8.598 6.050 ( 1.118 0.327 -11.560) 11.619 6.240 ( 2.186 -4.099 -1.052) 4.763 6.446 ( 5.404 -1.811 -3.928) 6.922 7.121 ( -6.988 2.139 0.091) 7.308 7.298 ( -7.498 -2.143 2.295) 8.129 7.495 ( 6.484 2.022 -1.978) 7.074 7.504 ( -1.685 1.690 -0.811) 2.520 7.721 ( -4.563 1.546 -0.085) 4.819 7.745 ( -4.020 -1.424 -0.506) 4.295 8.498 ( -8.847 -1.458 23.079) 24.760 9.025 ( 0.457 -1.673 16.640) 16.730 9.040 ( -3.612 -0.743 5.711) 6.798 9.151 ( 4.922 2.082 2.213) 5.784 9.556 ( 10.967 8.169 2.899) 13.979 9.812 ( 10.954 -11.648 -1.796) 16.090 9.919 ( -10.966 6.471 -15.685) 20.203 10.175 ( 0.563 -2.752 3.334) 4.360 10.610 ( 13.199 0.113 -14.337) 19.488 10.803 ( 2.520 1.741 -3.407) 4.582 10.849 ( -1.103 -5.041 -8.079) 9.587 11.350 ( 7.635 2.875 -5.953) 10.099 11.460 ( -0.183 0.084 8.069) 8.071 11.761 ( 5.516 5.081 -2.671) 7.961 11.842 ( -2.123 -4.749 5.708) 7.723 11.883 ( -1.410 -4.994 -0.877) 5.262 12.049 ( 0.016 2.269 -15.328) 15.495 12.607 ( -4.497 1.940 5.799) 7.590 13.300 ( -4.786 3.205 8.548) 10.307 14.102 ( -1.226 -0.796 1.904) 2.400 15.738 ( -17.721 -0.368 -0.628) 17.735 15.780 ( 11.343 -0.234 2.815) 11.690 16.455 ( 12.062 1.581 -5.601) 13.393 16.490 ( 6.078 -3.301 1.517) 7.081 ======================= Grid point 131 (53/282) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -8.325 10.754 15.659) 20.740 2.279 ( -2.631 10.517 -1.056) 10.893 2.689 ( -3.065 -4.376 -4.562) 7.025 2.875 ( -4.704 -6.389 -1.157) 8.018 3.115 ( -5.551 -1.719 3.500) 6.784 3.196 ( -6.646 -1.117 -6.433) 9.317 3.380 ( -6.660 4.271 -0.869) 7.960 3.724 ( 5.048 -6.809 -4.586) 9.637 3.837 ( 2.518 2.601 -4.362) 5.668 3.897 ( 3.570 -3.052 -3.157) 5.659 4.303 ( -1.977 -7.160 6.736) 10.027 5.017 ( 2.550 7.037 0.474) 7.499 5.094 ( -2.940 9.812 9.214) 13.777 5.212 ( -0.785 0.800 0.308) 1.163 5.458 ( 1.766 2.333 4.030) 4.980 5.915 ( -4.294 -2.086 -10.183) 11.246 6.291 ( -1.069 -8.903 -0.742) 8.997 6.488 ( 3.285 -0.500 -2.655) 4.253 7.022 ( -3.806 2.012 0.252) 4.312 7.227 ( -4.715 -1.631 -1.470) 5.201 7.422 ( -6.354 1.867 1.874) 6.883 7.565 ( 3.734 1.998 -1.835) 4.616 7.665 ( 0.085 0.247 -1.143) 1.173 7.756 ( 7.024 -1.314 -1.942) 7.405 8.591 ( -9.879 -3.515 17.583) 20.472 8.988 ( -11.662 2.989 7.034) 13.943 9.060 ( -7.168 -1.080 4.692) 8.635 9.297 ( -1.072 -4.606 9.997) 11.059 9.567 ( 1.251 9.358 -8.837) 12.932 9.693 ( 13.559 14.508 0.704) 19.871 10.125 ( 13.659 -11.557 -1.200) 17.932 10.269 ( 2.938 -3.830 4.626) 6.686 10.610 ( 8.909 -0.133 -17.915) 20.009 10.736 ( 2.887 -3.375 -10.609) 11.502 10.946 ( 3.272 -4.453 5.697) 7.937 11.341 ( -0.621 7.291 2.047) 7.598 11.524 ( 2.316 -1.326 1.246) 2.945 11.727 ( 2.846 6.913 -0.976) 7.539 11.904 ( 4.633 -1.236 -12.482) 13.371 11.918 ( 3.943 -1.098 -1.564) 4.381 12.020 ( 4.736 -8.530 3.254) 10.285 12.582 ( -2.715 4.252 4.912) 7.041 13.211 ( -11.097 6.307 5.920) 14.070 14.079 ( -4.426 -1.990 -0.210) 4.857 15.466 ( -17.683 -0.895 -0.332) 17.708 15.960 ( 7.210 -1.587 3.531) 8.184 16.578 ( 10.098 2.742 -0.313) 10.468 16.684 ( 13.103 -2.854 1.370) 13.480 ======================= Grid point 132 (54/282) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -12.733 18.045 6.750) 23.094 2.050 ( -9.513 17.585 -2.294) 20.124 2.647 ( -3.322 -6.294 -3.287) 7.839 2.851 ( -3.669 -4.824 -1.176) 6.173 2.979 ( -6.325 0.086 -10.507) 12.265 3.110 ( -5.668 -0.713 5.412) 7.869 3.261 ( -10.638 5.569 8.005) 14.431 3.767 ( 2.240 2.954 -5.277) 6.449 3.831 ( 1.115 -0.669 1.764) 2.192 3.987 ( 8.163 -9.233 -5.167) 13.363 4.390 ( -2.687 -10.318 5.538) 12.015 4.905 ( -4.280 7.766 -1.782) 9.044 5.110 ( -2.286 8.007 8.841) 12.145 5.185 ( -1.173 0.284 -0.913) 1.513 5.446 ( -1.170 7.419 -0.142) 7.512 5.804 ( -2.370 -4.331 -4.644) 6.778 6.314 ( -4.755 -6.910 1.196) 8.473 6.515 ( 1.875 -1.481 -1.130) 2.643 6.974 ( -0.067 1.912 -1.485) 2.422 7.147 ( -2.480 -0.560 -4.064) 4.794 7.353 ( -7.396 -4.072 4.678) 9.652 7.570 ( 1.181 -1.508 -1.709) 2.567 7.690 ( 2.780 0.347 1.008) 2.977 7.894 ( 11.997 1.520 -2.909) 12.438 8.563 ( -12.224 -3.282 6.447) 14.204 8.719 ( -17.695 -1.301 -4.100) 18.211 9.043 ( -5.914 2.531 5.443) 8.427 9.339 ( -2.960 -6.200 5.390) 8.732 9.601 ( 9.400 9.514 3.658) 13.865 9.820 ( 14.292 18.781 7.575) 24.787 10.271 ( 5.806 -4.722 -14.814) 16.597 10.379 ( 5.041 -1.910 -1.921) 5.723 10.639 ( 9.527 -2.609 -3.451) 10.463 10.766 ( 4.079 -6.569 -4.011) 8.711 10.993 ( -8.535 -3.456 6.289) 11.151 11.329 ( 3.253 4.703 -0.281) 5.725 11.650 ( 12.894 -1.975 2.100) 13.212 11.695 ( 2.240 4.142 -4.379) 6.430 11.902 ( 5.305 3.192 1.037) 6.278 12.024 ( 9.239 0.616 -3.832) 10.021 12.187 ( 4.720 -9.803 1.200) 10.946 12.551 ( -0.767 5.506 2.001) 5.909 13.004 ( -14.607 6.884 4.137) 16.669 14.000 ( -6.571 -3.668 -2.539) 7.942 15.212 ( -16.437 -0.892 0.596) 16.472 16.091 ( 2.941 -3.287 3.406) 5.572 16.696 ( 8.389 4.644 0.439) 9.599 16.940 ( 14.280 -1.309 3.879) 14.855 ======================= Grid point 133 (55/282) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -15.086 21.696 -0.990) 26.443 1.722 ( -10.591 24.394 1.322) 26.627 2.612 ( -3.909 -4.201 -1.231) 5.869 2.753 ( -7.749 10.789 -0.594) 13.296 2.803 ( -5.721 3.949 -3.722) 7.885 3.033 ( -11.108 8.182 13.131) 19.046 3.165 ( -4.163 -4.497 0.071) 6.128 3.725 ( 1.175 -0.794 -4.960) 5.159 3.852 ( 1.644 3.235 -0.030) 3.629 4.173 ( 7.339 -13.216 -1.338) 15.176 4.500 ( -1.209 -11.361 6.250) 13.023 4.779 ( -2.621 2.539 -5.056) 6.235 5.034 ( -6.256 1.616 -0.875) 6.520 5.178 ( 1.277 6.394 3.447) 7.375 5.333 ( -4.669 6.506 -0.280) 8.013 5.811 ( 2.021 -3.590 -1.970) 4.567 6.272 ( -6.251 -0.144 2.362) 6.684 6.524 ( -0.402 1.718 -0.561) 1.852 6.974 ( 4.114 -3.876 -4.570) 7.269 7.110 ( -1.547 -3.545 -0.090) 3.869 7.344 ( -6.480 -7.725 5.297) 11.389 7.612 ( 2.606 -4.543 -0.387) 5.252 7.743 ( 1.688 0.980 3.208) 3.755 8.005 ( 8.518 3.391 -3.398) 9.778 8.402 ( -11.644 -4.118 -2.963) 12.701 8.522 ( -10.401 -5.287 1.535) 11.768 8.958 ( -3.083 6.589 0.807) 7.319 9.387 ( 0.384 -2.630 -0.899) 2.806 9.685 ( 2.206 7.512 6.945) 10.466 9.987 ( 11.456 14.480 8.814) 20.459 10.206 ( 5.985 0.471 -12.625) 13.980 10.381 ( 4.156 -0.737 -12.740) 13.421 10.748 ( -6.300 2.901 1.772) 7.159 10.795 ( 6.398 -0.633 3.101) 7.138 11.058 ( 3.810 -9.652 4.999) 11.518 11.332 ( 1.709 -3.351 -4.246) 5.672 11.631 ( -0.368 2.290 -3.503) 4.202 11.915 ( 6.931 4.881 -0.424) 8.488 12.015 ( 9.988 -0.594 6.109) 11.723 12.087 ( 9.810 10.956 -0.152) 14.707 12.336 ( 4.118 -9.764 1.298) 10.676 12.536 ( 4.106 1.503 -2.469) 5.021 12.791 ( -12.351 3.279 4.733) 13.627 13.901 ( -5.895 -4.860 -4.070) 8.656 14.996 ( -13.928 -0.202 2.173) 14.098 16.161 ( -1.680 -4.765 2.369) 5.580 16.760 ( 4.754 5.666 0.179) 7.398 17.189 ( 12.711 0.814 2.625) 13.005 ======================= Grid point 134 (56/282) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -10.241 26.174 -0.029) 28.106 1.406 ( -7.657 28.455 6.091) 30.090 2.370 ( -13.555 40.377 10.515) 43.870 2.613 ( -2.782 -3.476 0.687) 4.505 2.738 ( -1.146 -1.731 1.661) 2.659 2.984 ( -6.586 0.553 9.779) 11.803 3.166 ( -1.544 -3.263 2.194) 4.224 3.715 ( 1.893 -5.074 -7.035) 8.878 3.837 ( 1.546 4.445 -1.732) 5.015 4.339 ( 2.105 -11.465 -0.304) 11.661 4.644 ( 1.424 -3.378 2.393) 4.378 4.686 ( -0.686 -7.023 -4.095) 8.158 4.920 ( -3.401 -0.584 -5.169) 6.214 5.165 ( -2.340 2.916 1.039) 3.880 5.246 ( -1.541 6.764 4.803) 8.438 5.847 ( 2.486 -3.014 -3.774) 5.432 6.183 ( -4.623 4.403 0.142) 6.386 6.469 ( -0.466 7.701 -0.649) 7.743 7.078 ( 5.765 -12.413 -3.587) 14.149 7.148 ( -1.503 -6.441 4.515) 8.008 7.376 ( -5.248 -9.582 6.157) 12.541 7.700 ( 2.330 -5.140 1.687) 5.890 7.781 ( -0.620 0.669 4.434) 4.526 8.040 ( 4.409 4.743 -2.252) 6.857 8.302 ( -3.837 -5.883 -0.800) 7.070 8.457 ( -5.916 -5.572 1.375) 8.243 8.877 ( -0.659 7.547 -0.545) 7.595 9.380 ( 2.457 0.423 -5.864) 6.372 9.679 ( -3.135 6.958 5.231) 9.252 9.981 ( 2.340 3.687 -12.541) 13.280 10.278 ( 4.428 0.037 -16.083) 16.682 10.327 ( 5.323 4.638 9.604) 11.920 10.688 ( 1.639 6.068 4.261) 7.594 10.870 ( -0.551 3.057 5.105) 5.975 11.235 ( 7.611 -2.605 -3.706) 8.857 11.344 ( -1.529 -13.770 -5.924) 15.068 11.590 ( 1.190 1.771 -2.098) 2.992 11.830 ( -0.226 11.389 -4.586) 12.280 12.072 ( -0.006 11.783 10.948) 16.084 12.248 ( 1.604 -8.612 -0.828) 8.799 12.537 ( 10.010 -4.627 4.137) 11.778 12.604 ( 6.669 -1.440 -3.675) 7.749 12.684 ( -5.271 0.371 3.703) 6.452 13.828 ( -2.258 -4.148 -4.583) 6.581 14.847 ( -9.216 0.364 4.318) 10.184 16.161 ( -4.981 -5.046 0.830) 7.139 16.762 ( 1.783 5.871 -0.666) 6.172 17.314 ( 6.310 3.881 -6.643) 9.950 ======================= Grid point 135 (57/282) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.830 24.312 9.876) 26.519 1.222 ( 0.433 27.130 14.195) 30.622 2.021 ( -5.271 45.739 20.176) 50.268 2.643 ( 2.029 -1.534 3.265) 4.139 2.807 ( 2.317 -2.525 6.279) 7.154 2.998 ( -3.825 -1.670 7.774) 8.823 3.217 ( -0.772 -4.224 5.482) 6.963 3.706 ( 2.120 -1.068 -6.945) 7.339 3.807 ( 1.217 -1.077 -4.966) 5.225 4.401 ( 0.010 -5.490 -4.651) 7.195 4.573 ( 0.982 -1.439 -9.020) 9.186 4.808 ( 1.040 -5.009 -3.393) 6.139 4.883 ( -1.381 -8.322 5.248) 9.935 5.102 ( -1.976 1.866 -1.902) 3.317 5.256 ( -0.691 3.864 6.922) 7.958 5.850 ( 1.379 -2.894 -6.248) 7.023 6.080 ( -0.780 7.387 -2.336) 7.787 6.398 ( 1.072 9.111 -1.170) 9.248 7.234 ( -2.967 -10.748 6.528) 12.920 7.247 ( 4.455 -14.124 -1.259) 14.864 7.461 ( -2.800 -11.435 7.360) 13.884 7.757 ( -1.836 -0.996 3.498) 4.074 7.819 ( -1.201 -2.585 4.341) 5.194 8.023 ( 1.907 8.221 -1.590) 8.587 8.357 ( 1.848 -7.551 3.383) 8.478 8.450 ( -1.537 -4.821 0.589) 5.094 8.809 ( -0.116 7.411 -0.030) 7.412 9.345 ( 2.783 0.405 -8.672) 9.117 9.603 ( -6.169 3.603 2.606) 7.604 9.823 ( -3.283 6.052 -12.301) 14.097 10.146 ( 2.667 2.348 -14.574) 15.001 10.426 ( 1.434 1.122 2.947) 3.464 10.750 ( -0.559 5.176 1.625) 5.453 10.841 ( -0.869 7.885 5.208) 9.489 11.195 ( 1.092 1.114 -6.251) 6.442 11.448 ( 2.848 -12.022 -3.286) 12.784 11.561 ( 0.487 0.951 -5.027) 5.140 11.732 ( -2.693 3.470 -1.315) 4.585 12.128 ( 3.025 7.817 13.639) 16.008 12.251 ( -3.052 -5.961 -5.464) 8.643 12.570 ( -7.125 0.024 -1.305) 7.244 12.674 ( -3.689 -3.324 3.579) 6.121 12.720 ( 4.605 -2.728 -1.863) 5.668 13.821 ( 3.790 -1.975 -3.595) 5.585 14.812 ( -1.748 -0.119 6.275) 6.515 16.125 ( -1.047 -1.347 -2.440) 2.977 16.710 ( -0.762 6.140 -2.458) 6.657 17.143 ( -3.965 13.135 -15.923) 21.019 ======================= Grid point 136 (58/282) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.732 13.535 18.300) 24.039 1.317 ( 10.155 18.540 21.451) 30.116 1.979 ( 13.597 34.596 23.677) 44.072 2.766 ( 6.951 -1.212 5.436) 8.907 2.955 ( 3.984 -1.779 9.333) 10.302 3.038 ( -1.135 -1.205 6.606) 6.811 3.278 ( -3.143 -6.185 2.802) 7.482 3.658 ( 1.557 4.390 -4.718) 6.630 3.797 ( 1.250 -7.629 -8.835) 11.740 4.316 ( 1.919 4.087 -14.785) 15.459 4.546 ( 1.485 -3.818 -8.014) 9.000 4.803 ( -2.688 -7.741 0.178) 8.196 4.994 ( -1.968 -8.530 3.973) 9.613 5.050 ( 0.589 1.699 -3.260) 3.723 5.284 ( -1.140 2.711 6.512) 7.145 5.825 ( 2.076 -1.873 -6.540) 7.112 6.028 ( 4.390 6.478 -1.876) 8.047 6.345 ( 3.326 8.634 -2.312) 9.537 7.315 ( -4.809 -11.877 5.045) 13.771 7.399 ( 1.308 -12.779 0.023) 12.846 7.595 ( -2.298 -12.302 7.723) 14.706 7.744 ( -3.910 0.913 3.253) 5.168 7.830 ( -5.168 0.673 3.817) 6.460 7.948 ( -0.359 7.795 -1.218) 7.898 8.458 ( -0.401 -5.177 2.067) 5.589 8.503 ( 3.587 -2.263 -0.600) 4.284 8.789 ( 2.647 4.816 3.951) 6.768 9.291 ( 1.954 0.748 -8.531) 8.784 9.467 ( -13.862 17.421 3.910) 22.604 9.533 ( -7.548 1.098 -6.175) 9.814 10.105 ( 11.048 2.267 -11.424) 16.053 10.411 ( -2.021 7.311 -2.629) 8.028 10.600 ( -1.987 2.721 -6.690) 7.490 10.846 ( -3.354 4.799 8.903) 10.656 11.199 ( 1.397 0.172 2.220) 2.628 11.458 ( 1.412 -2.776 -8.941) 9.468 11.525 ( -4.251 -10.061 -10.707) 15.295 11.677 ( 2.858 5.966 2.892) 7.220 12.054 ( -12.965 4.417 -5.700) 14.835 12.350 ( 1.192 1.919 15.112) 15.280 12.443 ( -0.260 -5.657 -5.423) 7.840 12.614 ( -7.542 -2.379 0.523) 7.926 12.783 ( 0.919 -4.048 1.437) 4.393 13.883 ( 5.843 0.042 -1.696) 6.084 14.913 ( 5.638 -0.912 6.525) 8.671 16.121 ( 9.118 3.856 -9.011) 13.387 16.591 ( -4.065 5.920 -4.070) 8.254 16.829 ( -6.236 13.155 -5.677) 15.626 ======================= Grid point 140 (59/282) ======================= q-point: ( 0.30 -0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -5.617 -0.000 17.884) 18.745 2.375 ( 0.295 0.000 1.626) 1.653 2.633 ( -6.416 -0.000 -4.586) 7.887 2.824 ( -4.122 -0.000 -5.275) 6.695 3.094 ( -6.659 -0.000 5.488) 8.629 3.186 ( -6.905 -0.000 -6.615) 9.563 3.427 ( -5.569 -0.000 -3.360) 6.504 3.651 ( 6.244 0.000 -6.318) 8.883 3.866 ( 5.624 0.000 -2.336) 6.090 3.876 ( 1.978 0.000 -4.232) 4.671 4.244 ( -3.102 -0.000 7.857) 8.447 5.074 ( 5.228 0.000 4.258) 6.742 5.175 ( -1.685 -0.000 -1.790) 2.459 5.231 ( -6.846 -0.000 5.662) 8.885 5.468 ( 3.896 0.000 8.524) 9.372 5.897 ( -4.390 -0.000 -12.682) 13.420 6.214 ( -1.688 -0.000 -1.031) 1.978 6.481 ( 4.392 0.000 -3.226) 5.450 7.042 ( -4.317 -0.000 0.146) 4.319 7.206 ( -5.780 -0.000 1.255) 5.915 7.445 ( -6.332 -0.000 -0.006) 6.332 7.579 ( 0.962 0.000 -1.359) 1.665 7.669 ( -0.278 -0.000 -1.766) 1.788 7.743 ( 9.100 0.000 -1.818) 9.280 8.562 ( -9.508 -0.000 17.608) 20.011 9.021 ( -4.569 -0.000 9.672) 10.697 9.043 ( -15.836 -0.000 2.002) 15.962 9.258 ( -2.350 -0.000 10.029) 10.300 9.657 ( 2.873 0.000 -8.475) 8.949 9.827 ( 12.758 0.000 4.360) 13.483 10.013 ( 18.884 0.000 -4.853) 19.498 10.234 ( 1.991 0.000 7.121) 7.394 10.607 ( 10.181 0.000 -20.342) 22.747 10.696 ( 1.196 0.000 -12.742) 12.798 10.915 ( 2.603 0.000 7.188) 7.645 11.426 ( 7.345 0.000 -6.481) 9.796 11.497 ( -4.623 -0.000 9.777) 10.815 11.816 ( 3.020 0.000 -0.486) 3.059 11.848 ( 10.117 0.000 -12.137) 15.800 11.894 ( -2.087 -0.000 1.815) 2.766 11.968 ( 4.309 0.000 -0.939) 4.410 12.617 ( -2.726 -0.000 5.675) 6.296 13.265 ( -11.055 -0.000 6.563) 12.856 14.061 ( -4.675 -0.000 -0.908) 4.763 15.459 ( -17.480 -0.000 -0.566) 17.489 15.946 ( 6.521 0.000 3.645) 7.471 16.601 ( 7.765 0.000 3.985) 8.727 16.658 ( 17.356 0.000 -3.704) 17.747 ======================= Grid point 142 (60/282) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -8.796 13.747 7.975) 18.165 2.284 ( -6.614 10.529 2.122) 12.614 2.526 ( -6.355 -8.469 -3.303) 11.091 2.740 ( -2.245 -7.345 -5.509) 9.452 2.978 ( -6.938 -0.051 -11.104) 13.094 3.063 ( -6.197 -2.170 6.043) 8.924 3.376 ( -4.176 5.834 9.711) 12.074 3.717 ( 6.240 -5.831 -4.035) 9.446 3.861 ( 2.440 3.288 -4.099) 5.793 3.932 ( 5.681 -0.487 -3.048) 6.465 4.264 ( -4.487 -4.984 6.172) 9.114 5.038 ( -6.231 8.340 -1.903) 10.583 5.144 ( -4.899 -3.677 -1.668) 6.349 5.220 ( -0.920 3.479 10.297) 10.908 5.562 ( 1.160 6.721 2.770) 7.361 5.726 ( -3.811 -5.325 -7.537) 9.985 6.190 ( -3.037 -5.805 -0.269) 6.557 6.512 ( 2.851 0.079 -1.736) 3.338 6.995 ( -1.685 0.758 0.154) 1.854 7.139 ( -3.601 -0.610 -1.734) 4.043 7.326 ( -8.649 0.025 1.791) 8.832 7.544 ( -2.160 -1.310 -1.296) 2.839 7.694 ( 3.324 0.150 0.832) 3.430 7.911 ( 13.619 0.564 -3.322) 14.030 8.527 ( -11.534 -1.287 7.432) 13.781 8.701 ( -20.447 -0.747 -7.186) 21.685 9.085 ( -2.331 2.454 11.532) 12.019 9.253 ( -6.185 -3.954 5.324) 9.068 9.739 ( 11.343 6.279 -0.785) 12.989 10.041 ( 13.377 7.777 6.192) 16.666 10.220 ( 9.795 -0.883 -7.095) 12.127 10.354 ( 4.614 -1.136 2.895) 5.564 10.596 ( 11.394 -2.016 -12.894) 17.324 10.643 ( 3.880 -6.707 -8.227) 11.302 10.961 ( -7.795 -0.853 8.376) 11.474 11.420 ( 2.709 4.787 -4.859) 7.339 11.623 ( 11.089 -1.377 5.785) 12.583 11.769 ( 3.028 4.801 -9.686) 11.227 11.903 ( 5.231 -1.001 -0.002) 5.326 11.988 ( 5.475 -5.777 3.400) 8.655 12.087 ( 8.144 -1.400 0.716) 8.294 12.625 ( -1.439 2.917 4.246) 5.349 13.102 ( -14.392 4.357 4.155) 15.601 13.946 ( -8.047 -2.445 -3.717) 9.195 15.204 ( -15.753 -0.253 0.423) 15.761 16.054 ( 2.094 -1.350 3.775) 4.523 16.748 ( 7.423 1.886 2.358) 8.014 16.920 ( 17.701 -0.925 0.473) 17.732 ======================= Grid point 143 (61/282) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -11.555 19.766 -0.661) 22.905 2.084 ( -7.080 21.895 2.828) 23.184 2.488 ( -5.524 -10.458 -1.044) 11.873 2.756 ( -0.968 -8.684 -2.276) 9.029 2.801 ( -4.517 -2.141 -6.592) 8.273 3.054 ( -5.086 -3.730 4.880) 7.975 3.318 ( -6.702 18.276 11.422) 22.569 3.772 ( 1.754 4.201 -5.473) 7.119 3.861 ( 1.985 -2.542 2.275) 3.947 4.008 ( 6.559 -6.565 -3.363) 9.870 4.337 ( -0.373 -8.972 5.493) 10.526 4.846 ( -7.431 5.913 -2.672) 9.866 5.042 ( -7.139 -1.067 -2.735) 7.719 5.256 ( -2.185 3.541 5.458) 6.863 5.457 ( -1.289 8.902 -3.464) 9.639 5.742 ( 1.300 -5.380 -0.411) 5.550 6.200 ( -3.634 -7.273 1.460) 8.260 6.537 ( 1.841 0.642 0.249) 1.966 6.968 ( 0.155 1.143 -3.129) 3.334 7.067 ( -2.328 -1.645 -3.173) 4.265 7.256 ( -7.301 -3.407 6.184) 10.157 7.537 ( -0.139 -4.515 -0.624) 4.560 7.759 ( 2.439 0.855 3.153) 4.077 8.041 ( 8.611 1.455 -4.244) 9.710 8.362 ( -12.232 -1.130 -3.560) 12.790 8.443 ( -10.864 -4.564 1.627) 11.896 9.064 ( -2.608 7.182 2.270) 7.971 9.303 ( -1.547 -7.139 4.220) 8.436 9.826 ( 7.329 8.891 0.977) 11.563 10.165 ( 4.399 7.770 -10.521) 13.799 10.257 ( 10.959 5.771 5.698) 13.633 10.382 ( 5.210 0.997 -12.302) 13.397 10.721 ( 7.958 -8.787 -2.765) 12.173 10.731 ( 0.605 -5.153 -0.461) 5.209 10.944 ( -3.528 -2.392 10.929) 11.730 11.350 ( -0.307 3.415 -5.501) 6.483 11.684 ( 1.827 4.581 -5.553) 7.426 11.927 ( 11.529 -6.499 2.338) 13.440 11.974 ( 3.936 3.032 3.245) 5.935 12.182 ( 7.029 -9.237 4.995) 12.637 12.239 ( 14.066 4.826 -1.698) 14.967 12.606 ( -0.043 5.732 1.124) 5.841 12.869 ( -14.011 6.692 3.598) 15.938 13.807 ( -8.391 -6.604 -4.612) 11.632 14.997 ( -12.727 0.247 2.084) 12.899 16.102 ( -2.133 -2.776 2.859) 4.520 16.831 ( 4.029 3.339 0.751) 5.286 17.190 ( 14.781 -0.336 1.069) 14.823 ======================= Grid point 144 (62/282) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -7.420 24.650 -0.050) 25.743 1.828 ( -5.222 25.970 3.595) 26.733 2.502 ( -2.876 -9.618 1.514) 10.152 2.717 ( -0.766 1.104 0.113) 1.349 2.784 ( -1.566 0.186 -0.602) 1.689 3.065 ( -2.917 -6.928 1.653) 7.697 3.127 ( -9.858 24.512 13.966) 29.885 3.704 ( 0.745 3.861 -3.813) 5.477 3.901 ( 2.062 2.241 -0.655) 3.115 4.157 ( 3.448 -11.809 0.164) 12.303 4.492 ( 3.423 -10.002 5.596) 11.961 4.685 ( -5.391 1.514 -4.237) 7.022 4.911 ( -4.581 -0.658 -5.813) 7.430 5.208 ( -3.736 2.499 0.199) 4.500 5.376 ( 0.924 9.348 1.277) 9.480 5.789 ( 1.406 -4.647 -2.852) 5.631 6.199 ( -3.649 -2.365 1.526) 4.608 6.555 ( 0.767 3.138 1.397) 3.520 6.943 ( 3.317 -4.103 -6.115) 8.077 7.056 ( -1.853 -5.510 0.622) 5.846 7.261 ( -5.525 -4.964 7.816) 10.782 7.598 ( 1.229 -7.287 1.443) 7.530 7.803 ( -0.365 1.754 4.362) 4.715 8.074 ( 2.300 -0.293 -1.892) 2.993 8.246 ( -1.811 -1.169 -1.675) 2.730 8.369 ( -5.845 -5.339 1.180) 8.004 8.990 ( -0.562 6.852 -1.045) 6.954 9.342 ( -0.963 -4.597 -2.050) 5.125 9.830 ( 0.879 11.401 1.940) 11.598 10.048 ( 4.472 5.571 -14.219) 15.913 10.295 ( 4.595 1.413 -16.810) 17.484 10.411 ( 4.262 5.836 7.352) 10.309 10.748 ( 0.404 1.611 6.306) 6.521 10.843 ( 2.942 -9.579 -5.793) 11.575 11.092 ( 1.305 -8.064 8.706) 11.938 11.281 ( 1.998 2.365 -5.735) 6.517 11.634 ( 1.179 4.000 -2.743) 4.991 11.945 ( -0.961 2.058 -3.948) 4.555 12.103 ( -0.746 -8.791 0.035) 8.823 12.320 ( 5.909 16.618 4.573) 18.220 12.466 ( 11.388 -3.694 4.973) 12.964 12.595 ( 5.118 1.052 -3.202) 6.128 12.697 ( -8.821 1.793 4.625) 10.120 13.727 ( -3.871 -8.769 -3.643) 10.255 14.859 ( -8.274 1.192 4.075) 9.300 16.096 ( -4.150 -3.450 1.712) 5.662 16.841 ( 1.227 4.185 -0.520) 4.392 17.353 ( 7.398 1.600 -3.510) 8.343 ======================= Grid point 145 (63/282) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.370 25.382 4.249) 25.845 1.635 ( -0.459 25.974 8.798) 27.428 2.579 ( 1.072 -7.271 3.434) 8.113 2.639 ( -2.180 27.512 7.383) 28.569 2.787 ( 3.225 0.192 6.028) 6.839 3.007 ( -5.762 6.954 11.280) 14.450 3.111 ( -1.383 -8.596 1.066) 8.771 3.668 ( 1.715 1.204 -3.542) 4.115 3.882 ( 1.071 5.274 -2.271) 5.841 4.269 ( 0.703 -10.102 -0.537) 10.140 4.546 ( -4.552 -3.347 -5.609) 7.962 4.698 ( 4.695 -6.738 2.637) 8.625 4.817 ( -0.925 -1.871 -5.286) 5.683 5.134 ( -1.656 2.233 -2.468) 3.717 5.347 ( 0.623 7.622 3.303) 8.330 5.796 ( 0.814 -4.145 -5.617) 7.028 6.162 ( -1.073 2.974 -0.289) 3.175 6.529 ( 0.311 7.292 0.314) 7.306 7.036 ( 5.557 -12.212 -2.965) 13.741 7.093 ( -2.316 -7.984 2.610) 8.713 7.317 ( -3.527 -6.756 8.389) 11.334 7.692 ( -0.008 -7.074 3.378) 7.840 7.810 ( -2.467 1.519 4.558) 5.401 8.116 ( 3.272 3.269 0.331) 4.637 8.257 ( 1.834 -4.556 1.690) 5.193 8.365 ( -1.239 -5.698 0.329) 5.841 8.920 ( -0.208 6.643 -1.357) 6.783 9.309 ( -1.430 -4.341 -7.175) 8.507 9.722 ( -3.856 11.091 -0.183) 11.743 9.927 ( 2.107 7.746 -11.857) 14.319 10.196 ( 6.585 3.625 -15.212) 16.968 10.452 ( 0.307 1.825 2.952) 3.484 10.768 ( -6.513 -3.717 -1.853) 7.724 10.915 ( 5.022 -0.643 2.888) 5.829 11.192 ( -2.593 -3.435 2.263) 4.863 11.282 ( 5.461 -1.766 -3.685) 6.821 11.587 ( -0.644 3.036 -3.387) 4.593 11.847 ( 0.373 6.409 -5.914) 8.729 12.124 ( -0.913 -8.810 -4.439) 9.907 12.308 ( 1.251 15.479 11.735) 19.465 12.570 ( -6.070 -0.573 -2.624) 6.638 12.614 ( -4.681 -3.836 5.143) 7.942 12.678 ( 2.645 -2.511 -1.501) 3.944 13.759 ( 3.720 -6.413 -2.099) 7.705 14.819 ( -1.821 1.156 5.881) 6.264 16.088 ( -0.740 -2.836 0.493) 2.972 16.798 ( -0.703 4.997 -2.038) 5.442 17.291 ( -2.392 6.773 -10.330) 12.582 ======================= Grid point 146 (64/282) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 6.576 19.274 9.663) 22.541 1.629 ( 8.007 21.290 15.800) 27.695 2.511 ( 5.039 29.945 11.805) 32.580 2.723 ( 5.270 -4.565 6.296) 9.394 2.939 ( 4.337 0.129 10.081) 10.975 3.025 ( -1.096 1.079 9.587) 9.709 3.163 ( -1.317 -9.027 -0.890) 9.166 3.659 ( 2.047 -0.211 -4.094) 4.582 3.816 ( -0.022 6.104 -2.957) 6.782 4.314 ( 1.280 -4.457 -7.641) 8.938 4.476 ( -0.443 -5.143 -4.674) 6.964 4.711 ( -2.229 -3.901 -5.606) 7.185 4.877 ( 1.286 -5.580 3.140) 6.530 5.079 ( 0.988 1.729 -4.561) 4.977 5.342 ( 0.334 4.937 3.828) 6.256 5.785 ( 2.497 -3.067 -6.200) 7.354 6.132 ( 3.057 6.069 -1.107) 6.885 6.477 ( 1.952 8.021 -1.649) 8.418 7.153 ( -3.442 -9.373 4.646) 11.013 7.199 ( 4.254 -13.211 -1.335) 13.943 7.418 ( -2.305 -9.462 8.228) 12.749 7.750 ( -2.785 -1.955 4.635) 5.750 7.804 ( -3.372 -1.331 3.774) 5.233 8.068 ( -2.005 7.099 -2.245) 7.711 8.374 ( 1.604 -5.331 2.435) 6.077 8.447 ( 5.992 -4.716 0.809) 7.668 8.871 ( 0.818 5.122 1.564) 5.418 9.245 ( -0.070 -5.865 -10.004) 11.597 9.568 ( -4.918 7.785 -1.356) 9.308 9.735 ( -6.215 13.683 -4.357) 15.647 10.168 ( 12.314 5.219 -12.427) 18.257 10.476 ( 0.107 1.871 2.551) 3.166 10.614 ( -6.932 -3.049 -9.004) 11.765 10.948 ( -4.172 6.359 3.641) 8.433 11.202 ( 1.411 0.596 2.016) 2.532 11.323 ( -0.890 -6.804 -4.062) 7.974 11.502 ( 0.228 1.813 -7.854) 8.064 11.780 ( 3.758 6.097 -3.546) 7.992 12.075 ( -8.199 -1.815 -3.704) 9.179 12.377 ( -11.762 -2.237 -4.087) 12.651 12.415 ( 8.628 6.766 11.781) 16.094 12.565 ( -9.225 -3.593 2.202) 10.142 12.712 ( -1.267 -4.859 0.712) 5.072 13.867 ( 6.763 -2.443 -0.875) 7.244 14.904 ( 5.269 -0.037 6.400) 8.290 16.128 ( 4.040 -1.821 -2.247) 4.968 16.694 ( -2.961 6.515 -4.792) 8.612 17.026 ( -7.492 11.512 -9.284) 16.578 ======================= Grid point 147 (65/282) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 5.760 10.482 14.619) 18.888 1.800 ( 8.826 16.299 18.195) 25.973 2.593 ( 14.447 16.857 9.692) 24.224 2.926 ( 7.851 -3.853 7.023) 11.216 3.029 ( -3.434 0.547 10.305) 10.876 3.160 ( 1.992 -4.997 0.283) 5.387 3.225 ( 5.221 -0.629 9.360) 10.736 3.638 ( 1.324 0.367 -5.282) 5.458 3.755 ( 1.076 4.035 -2.116) 4.682 4.222 ( 1.975 2.593 -14.827) 15.181 4.466 ( 1.411 -0.213 -9.221) 9.331 4.696 ( -3.620 -10.973 3.077) 11.958 4.929 ( -1.908 -5.358 0.499) 5.710 5.046 ( 2.973 1.371 -6.006) 6.840 5.352 ( 0.008 2.772 3.536) 4.494 5.822 ( 7.426 -1.595 -4.751) 8.959 6.145 ( 6.181 6.515 -0.975) 9.033 6.441 ( 4.457 7.123 -3.551) 9.122 7.212 ( -4.562 -9.001 4.933) 11.232 7.322 ( 1.282 -10.776 -1.172) 10.915 7.536 ( -3.912 -10.014 8.053) 13.433 7.739 ( -2.414 1.557 2.803) 4.013 7.774 ( -7.011 0.756 2.947) 7.643 7.945 ( -4.195 4.160 -1.369) 6.065 8.424 ( -1.807 -3.010 0.586) 3.559 8.554 ( 6.469 -1.030 -1.245) 6.668 8.913 ( 3.328 0.808 2.471) 4.223 9.226 ( 3.137 -3.043 -6.420) 7.766 9.438 ( -6.624 10.411 1.765) 12.465 9.495 ( -5.093 12.603 4.611) 14.354 10.232 ( 14.247 3.678 -10.902) 18.313 10.380 ( -3.694 5.849 -4.839) 8.442 10.565 ( 2.370 -0.750 -2.158) 3.292 10.805 ( -9.876 0.423 0.221) 9.888 11.261 ( 4.357 -1.882 -3.978) 6.193 11.286 ( -3.774 -0.987 1.489) 4.175 11.441 ( 2.940 -0.544 -7.304) 7.892 11.727 ( -5.043 1.248 -10.011) 11.279 11.890 ( -3.659 9.352 3.173) 10.531 12.241 ( -7.799 -5.758 -1.657) 9.834 12.443 ( -9.401 -2.951 -1.269) 9.935 12.616 ( 5.468 1.811 4.155) 7.103 12.772 ( 1.623 -8.053 6.966) 10.771 13.966 ( 5.156 0.348 0.558) 5.198 15.088 ( 10.252 -0.799 5.199) 11.523 16.174 ( 4.843 -1.238 -5.114) 7.152 16.517 ( -4.656 7.276 -7.301) 11.310 16.770 ( -7.637 9.527 -2.127) 12.394 ======================= Grid point 152 (66/282) ======================= q-point: ( 0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -10.056 -0.000 0.181) 10.057 2.312 ( -6.089 -0.000 6.737) 9.081 2.349 ( -7.061 -0.000 -0.011) 7.061 2.600 ( -0.140 -0.000 -9.528) 9.529 2.796 ( -4.524 -0.000 -6.515) 7.932 3.029 ( -5.863 -0.000 6.845) 9.012 3.495 ( -1.245 -0.000 13.528) 13.585 3.747 ( 5.432 0.000 -2.768) 6.096 3.872 ( 2.291 0.000 -3.621) 4.285 3.964 ( 2.181 0.000 -3.211) 3.882 4.258 ( 0.006 0.000 5.854) 5.854 4.918 ( -11.566 -0.000 -1.397) 11.650 5.014 ( -5.171 -0.000 -4.124) 6.614 5.284 ( -3.690 -0.000 5.654) 6.751 5.560 ( -1.224 -0.000 -5.768) 5.896 5.670 ( 1.623 0.000 2.157) 2.700 6.131 ( -1.862 -0.000 0.952) 2.091 6.543 ( 2.117 0.000 0.174) 2.124 6.976 ( -1.166 -0.000 -0.501) 1.269 7.058 ( -2.774 -0.000 -5.227) 5.917 7.234 ( -7.038 -0.000 5.619) 9.006 7.497 ( -1.439 -0.000 -0.585) 1.554 7.766 ( 2.846 0.000 3.124) 4.226 8.052 ( 8.213 0.000 -4.602) 9.414 8.359 ( -12.827 -0.000 -5.122) 13.812 8.400 ( -10.313 -0.000 3.152) 10.784 9.163 ( -4.670 -0.000 -0.218) 4.676 9.202 ( 0.367 0.000 8.323) 8.332 9.903 ( 9.600 0.000 -3.842) 10.340 10.255 ( 3.846 0.000 -8.050) 8.922 10.281 ( 9.670 0.000 -1.892) 9.854 10.406 ( 4.837 0.000 -3.084) 5.736 10.646 ( 3.814 0.000 3.815) 5.395 10.650 ( 7.118 0.000 -9.089) 11.545 10.938 ( -5.063 -0.000 12.221) 13.228 11.383 ( -0.372 -0.000 -7.225) 7.234 11.741 ( 3.633 0.000 -8.646) 9.378 11.854 ( 7.283 0.000 1.916) 7.531 12.028 ( -2.030 -0.000 6.448) 6.760 12.073 ( 15.091 0.000 5.617) 16.102 12.272 ( 15.890 0.000 -1.321) 15.945 12.654 ( -1.288 -0.000 3.079) 3.337 12.940 ( -12.856 -0.000 2.683) 13.133 13.744 ( -10.278 -0.000 -5.088) 11.468 15.000 ( -12.168 -0.000 2.021) 12.334 16.080 ( -2.250 -0.000 3.080) 3.814 16.857 ( 3.586 0.000 1.086) 3.747 17.186 ( 15.791 0.000 0.405) 15.796 ======================= Grid point 154 (67/282) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -6.195 18.331 1.228) 19.388 2.191 ( -4.666 19.473 2.796) 20.218 2.322 ( -3.562 -12.263 1.074) 12.815 2.607 ( 0.787 -16.074 -6.014) 17.180 2.725 ( -0.388 0.242 0.050) 0.459 3.011 ( -5.349 -1.059 5.966) 8.083 3.501 ( -4.475 17.512 9.890) 20.603 3.784 ( 2.189 3.845 -3.528) 5.659 3.900 ( 1.620 -0.933 3.212) 3.716 3.991 ( 2.279 -8.758 -1.004) 9.105 4.376 ( 5.120 -4.321 4.906) 8.304 4.715 ( -10.568 1.807 -1.422) 10.815 4.896 ( -3.379 -1.069 -7.360) 8.169 5.236 ( -4.151 1.015 -0.117) 4.275 5.512 ( 1.389 7.231 0.134) 7.365 5.707 ( 0.476 -5.253 -2.372) 5.783 6.142 ( -1.135 -3.130 2.377) 4.091 6.577 ( 1.279 0.406 1.852) 2.287 6.936 ( -0.128 1.817 -4.755) 5.092 6.984 ( -1.636 -3.668 -3.063) 5.051 7.221 ( -4.611 -0.732 8.342) 9.559 7.503 ( 0.225 -3.910 0.985) 4.038 7.826 ( 0.264 0.929 4.375) 4.480 8.056 ( -0.864 -1.040 -1.459) 1.989 8.250 ( 0.801 0.904 -2.346) 2.638 8.304 ( -5.815 -2.732 1.232) 6.541 9.080 ( -1.333 4.255 -2.469) 5.096 9.266 ( -1.334 -4.028 0.861) 4.329 9.972 ( 6.817 5.087 -3.693) 9.273 10.168 ( 3.257 9.664 -10.200) 14.423 10.295 ( 4.451 -2.547 -14.334) 15.223 10.484 ( 2.774 2.496 0.760) 3.808 10.643 ( 1.530 -10.066 -9.226) 13.739 10.751 ( 0.109 -0.980 8.572) 8.629 11.045 ( 0.667 -0.496 12.294) 12.323 11.325 ( 3.346 2.051 -5.389) 6.666 11.705 ( 1.767 4.394 -3.541) 5.914 11.898 ( -0.139 -5.467 -5.132) 7.500 12.032 ( -4.061 -0.982 4.396) 6.065 12.387 ( 12.744 -1.867 5.260) 13.913 12.497 ( 14.324 2.289 -0.991) 14.539 12.641 ( -1.537 2.293 0.623) 2.830 12.772 ( -9.018 7.039 2.895) 11.800 13.590 ( -6.504 -6.912 -2.495) 9.813 14.876 ( -7.449 0.698 3.861) 8.419 16.058 ( -3.923 -1.301 2.192) 4.679 16.885 ( 0.793 1.500 -0.404) 1.744 17.368 ( 8.400 0.460 -2.353) 8.736 ======================= Grid point 155 (68/282) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.351 23.145 2.317) 23.300 2.008 ( -1.528 22.039 4.934) 22.636 2.423 ( 0.948 -12.539 3.276) 12.994 2.689 ( 0.925 -13.348 -4.877) 14.241 2.781 ( 4.069 0.615 6.233) 7.469 3.003 ( -3.875 -3.107 3.771) 6.236 3.345 ( -6.645 24.456 12.222) 28.136 3.740 ( 1.980 6.898 -1.765) 7.390 3.930 ( 0.952 1.017 -0.642) 1.534 4.112 ( 1.080 -9.911 1.767) 10.125 4.478 ( -6.522 -4.296 1.376) 7.930 4.630 ( 4.596 -2.511 0.549) 5.266 4.799 ( 1.015 -0.738 -8.774) 8.864 5.164 ( -1.899 1.484 -2.854) 3.736 5.475 ( 1.300 8.666 0.476) 8.776 5.719 ( 0.211 -5.923 -4.508) 7.446 6.171 ( -0.733 -1.345 2.484) 2.919 6.604 ( -0.019 2.201 2.509) 3.338 6.908 ( 3.930 -3.609 -5.905) 7.959 6.987 ( -1.176 -5.790 -0.048) 5.909 7.258 ( -2.629 -1.200 8.605) 9.077 7.576 ( 0.555 -7.093 2.895) 7.681 7.842 ( -2.437 2.094 4.881) 5.844 8.111 ( 4.678 -2.497 4.156) 6.738 8.237 ( 0.746 0.830 -1.340) 1.743 8.289 ( -0.789 -3.781 -0.308) 3.874 9.008 ( -0.279 4.739 -2.907) 5.567 9.235 ( -3.828 -4.691 -5.400) 8.113 9.917 ( -1.880 13.211 -2.121) 13.512 10.058 ( 5.496 8.893 -11.133) 15.272 10.237 ( 7.264 0.964 -14.120) 15.908 10.464 ( -1.083 -1.397 -2.354) 2.944 10.613 ( -3.932 -13.294 -12.875) 18.920 10.876 ( 1.233 -1.970 11.267) 11.504 11.159 ( -1.925 -0.486 10.933) 11.112 11.338 ( 7.689 4.929 -5.901) 10.873 11.652 ( -1.144 5.104 -1.482) 5.436 11.862 ( 0.604 -4.471 -9.530) 10.544 12.025 ( -1.888 -2.822 1.647) 3.774 12.524 ( -4.268 -3.722 2.436) 6.164 12.553 ( 0.452 9.431 0.293) 9.446 12.610 ( -4.332 3.889 0.533) 5.846 12.655 ( 0.073 2.416 2.247) 3.300 13.630 ( 3.886 -9.295 0.804) 10.107 14.842 ( -1.755 1.464 5.511) 5.966 16.049 ( -1.012 -2.046 1.690) 2.840 16.858 ( -0.837 2.719 -1.771) 3.351 17.365 ( -1.286 3.091 -6.793) 7.573 ======================= Grid point 156 (69/282) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.735 20.952 3.738) 21.803 1.950 ( 5.254 19.747 11.449) 23.423 2.590 ( 4.692 -10.282 2.349) 11.544 2.733 ( 0.664 -4.026 -0.398) 4.100 2.945 ( 6.523 0.003 8.730) 10.898 3.020 ( -1.214 -5.616 1.308) 5.892 3.222 ( -3.668 21.139 16.835) 27.271 3.709 ( 2.418 5.855 -1.733) 6.567 3.898 ( -0.489 4.053 -2.411) 4.741 4.203 ( 1.366 -8.835 -1.682) 9.096 4.392 ( -6.990 -5.457 0.037) 8.868 4.683 ( 2.344 0.296 -7.781) 8.132 4.826 ( 6.160 -1.800 -0.899) 6.480 5.102 ( 0.154 1.144 -4.773) 4.910 5.430 ( 0.611 6.171 -0.893) 6.265 5.733 ( 2.932 -3.569 -3.796) 5.979 6.196 ( 2.155 1.860 1.353) 3.152 6.581 ( -0.617 5.425 0.594) 5.492 6.996 ( 4.214 -10.603 -2.647) 11.713 7.035 ( 0.158 -7.539 1.471) 7.683 7.324 ( -1.253 -2.576 7.895) 8.399 7.666 ( -0.813 -7.115 3.993) 8.199 7.823 ( -3.810 2.331 4.699) 6.483 8.157 ( -2.317 4.352 -1.892) 5.281 8.303 ( 2.888 -3.679 2.450) 5.280 8.368 ( 8.447 -5.198 2.064) 10.131 8.940 ( -1.636 3.906 -0.844) 4.318 9.147 ( -2.661 -6.234 -8.213) 10.649 9.727 ( -4.306 12.333 -4.032) 13.671 9.932 ( -0.479 12.223 -6.298) 13.758 10.244 ( 12.549 3.932 -12.504) 18.146 10.453 ( -2.198 -8.847 -4.340) 10.096 10.511 ( -5.123 -5.627 -5.931) 9.648 10.976 ( -1.179 -1.566 3.703) 4.190 11.217 ( -1.511 0.965 8.092) 8.288 11.336 ( 3.728 6.436 -4.111) 8.499 11.552 ( -1.851 4.810 -5.799) 7.759 11.812 ( 2.077 -2.858 -10.687) 11.255 12.044 ( -1.183 -0.606 2.044) 2.438 12.346 ( -14.805 -2.353 -4.952) 15.788 12.516 ( -7.115 -1.894 1.425) 7.499 12.544 ( -0.519 5.578 8.850) 10.475 12.665 ( -0.054 1.769 1.198) 2.137 13.805 ( 8.275 -5.403 1.278) 9.966 14.913 ( 4.644 1.050 6.388) 7.967 16.089 ( 1.860 -2.645 0.667) 3.302 16.778 ( -2.813 4.213 -3.875) 6.378 17.170 ( -7.768 7.098 -8.437) 13.487 ======================= Grid point 157 (70/282) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.635 14.524 8.029) 16.990 2.054 ( 7.096 16.132 14.549) 22.853 2.705 ( 5.890 -3.667 -4.372) 8.200 2.852 ( 3.456 -5.089 9.813) 11.581 3.045 ( 1.414 -7.801 -2.684) 8.370 3.108 ( 0.853 6.536 11.508) 13.262 3.289 ( 6.435 10.043 17.240) 20.964 3.678 ( 1.557 4.469 -3.374) 5.812 3.830 ( 0.003 4.879 -1.692) 5.164 4.211 ( 1.035 -3.762 -10.224) 10.943 4.410 ( -1.137 -8.723 4.009) 9.668 4.607 ( -0.052 1.756 -8.116) 8.304 4.883 ( 1.442 -0.594 -1.809) 2.389 5.066 ( 2.807 1.104 -5.480) 6.255 5.389 ( 0.146 1.954 -1.731) 2.614 5.804 ( 8.061 -0.520 -2.023) 8.327 6.239 ( 5.749 4.698 0.262) 7.429 6.532 ( 0.864 4.950 -2.096) 5.444 7.082 ( -2.664 -8.463 4.048) 9.752 7.152 ( 4.040 -10.849 -2.025) 11.753 7.411 ( -1.136 -4.960 7.194) 8.811 7.724 ( -2.999 -4.284 4.115) 6.655 7.783 ( -4.218 1.868 2.738) 5.364 8.019 ( -6.799 4.711 -3.033) 8.810 8.375 ( 0.588 -3.184 1.141) 3.433 8.538 ( 8.161 -0.966 -1.447) 8.344 8.899 ( -1.379 -2.347 -1.624) 3.169 9.154 ( 4.957 -5.196 -1.284) 7.295 9.557 ( -2.651 8.752 -1.384) 9.249 9.743 ( -6.237 15.384 0.821) 16.621 10.269 ( 4.801 -1.264 -11.399) 12.433 10.394 ( 2.126 -2.114 -7.782) 8.339 10.522 ( 2.071 -2.997 2.053) 4.182 10.904 ( -6.616 7.886 -1.788) 10.448 11.243 ( 2.500 2.368 -5.863) 6.799 11.306 ( -3.270 2.208 10.305) 11.034 11.444 ( 1.810 1.195 -9.974) 10.207 11.722 ( -4.429 -2.224 -10.684) 11.777 12.011 ( -1.583 5.632 2.179) 6.243 12.150 ( -7.496 -5.245 -3.736) 9.883 12.403 ( -9.808 -1.888 -0.327) 9.994 12.627 ( -5.628 -8.019 4.304) 10.701 12.697 ( 8.867 5.884 6.821) 12.640 13.958 ( 6.301 -1.423 1.370) 6.604 15.083 ( 9.864 0.199 5.799) 11.444 16.137 ( 0.941 -2.999 -0.527) 3.187 16.625 ( -4.773 6.054 -7.225) 10.566 16.911 ( -8.529 8.306 -4.478) 12.719 ======================= Grid point 158 (71/282) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 2.082 6.790 12.785) 14.625 2.150 ( 2.068 11.211 11.835) 16.433 2.794 ( 5.361 -2.832 -2.169) 6.439 2.995 ( -0.222 -7.784 2.636) 8.221 3.139 ( 0.456 2.167 9.566) 9.819 3.179 ( 5.721 0.867 4.830) 7.537 3.484 ( 6.470 4.965 7.817) 11.297 3.625 ( 0.279 3.035 -2.784) 4.128 3.827 ( 4.004 3.846 2.801) 6.218 4.146 ( 3.956 0.947 -10.698) 11.446 4.416 ( 0.961 7.019 -9.585) 11.919 4.592 ( -3.576 -12.849 5.997) 14.624 4.874 ( 0.172 -2.031 -2.846) 3.500 5.051 ( 3.475 1.731 -4.727) 6.117 5.379 ( 1.025 -0.656 -1.145) 1.671 5.934 ( 10.984 0.824 -2.226) 11.238 6.296 ( 7.384 7.092 -0.377) 10.245 6.499 ( 2.635 2.684 -4.204) 5.641 7.133 ( -4.460 -7.021 4.744) 9.576 7.253 ( 2.319 -8.652 -2.301) 9.248 7.484 ( -3.543 -5.544 4.838) 8.167 7.690 ( -8.447 2.516 1.563) 8.951 7.724 ( -2.390 -0.547 -0.242) 2.463 7.872 ( -5.496 0.381 -0.671) 5.550 8.388 ( -3.566 -0.836 5.424) 6.545 8.665 ( 10.195 -1.407 -0.734) 10.318 8.896 ( 0.406 -5.962 -3.221) 6.789 9.239 ( -0.998 1.320 1.354) 2.139 9.527 ( -3.438 16.313 7.078) 18.112 9.574 ( 3.932 1.984 3.604) 5.691 10.203 ( -2.545 -7.107 -8.336) 11.246 10.404 ( 4.418 5.303 -3.162) 7.592 10.611 ( 8.339 2.790 -5.855) 10.564 10.676 ( -7.973 7.132 -0.845) 10.731 11.197 ( -2.312 -3.131 -2.539) 4.647 11.329 ( 5.208 2.846 -9.787) 11.446 11.426 ( -4.198 -0.787 8.043) 9.107 11.545 ( -1.056 1.266 -9.235) 9.381 11.994 ( 5.073 3.475 -5.400) 8.184 12.072 ( -6.379 -3.052 0.915) 7.130 12.252 ( -8.883 -2.000 -3.823) 9.875 12.605 ( -6.334 -3.046 3.727) 7.956 12.909 ( 7.632 -3.892 7.715) 11.529 14.050 ( 3.265 0.667 2.458) 4.140 15.309 ( 12.854 -0.119 4.293) 13.553 16.141 ( -4.426 -2.731 0.806) 5.262 16.427 ( -1.760 5.720 -10.751) 12.305 16.712 ( -6.871 7.525 0.131) 10.191 ======================= Grid point 164 (72/282) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.607 0.000 4.861) 4.899 2.189 ( -1.828 -0.000 -2.798) 3.343 2.308 ( -1.711 -0.000 8.576) 8.745 2.496 ( 5.008 0.000 -8.194) 9.603 2.787 ( 4.153 -0.000 6.316) 7.558 2.983 ( -5.203 0.000 5.402) 7.500 3.557 ( -7.043 0.000 6.783) 9.778 3.817 ( 2.131 -0.000 -2.650) 3.400 3.943 ( 1.237 -0.000 -1.040) 1.616 4.000 ( 1.414 -0.000 7.216) 7.354 4.441 ( -6.144 -0.000 4.060) 7.365 4.611 ( 3.493 -0.000 -0.079) 3.493 4.792 ( 1.970 -0.000 -10.300) 10.487 5.176 ( -2.060 -0.000 -3.011) 3.648 5.587 ( 2.518 -0.000 1.963) 3.193 5.630 ( -1.129 0.000 -6.361) 6.460 6.153 ( -0.421 -0.000 3.927) 3.949 6.614 ( 0.699 -0.000 2.433) 2.531 6.905 ( 0.916 -0.000 -5.144) 5.225 6.924 ( 0.220 0.000 -2.105) 2.116 7.257 ( -1.734 -0.000 8.640) 8.812 7.512 ( 0.672 0.000 2.454) 2.545 7.861 ( -2.373 0.000 5.085) 5.612 8.087 ( 4.690 -0.000 4.498) 6.499 8.246 ( -1.502 -0.000 1.022) 1.817 8.259 ( 1.631 -0.000 -2.995) 3.411 9.052 ( 0.312 -0.000 -4.275) 4.286 9.190 ( -5.071 0.000 -4.014) 6.468 10.048 ( 3.065 -0.000 -2.299) 3.831 10.196 ( 2.595 0.000 -11.449) 11.740 10.197 ( 5.800 -0.000 -8.326) 10.147 10.391 ( -2.139 0.000 -17.081) 17.214 10.521 ( 0.030 0.000 -7.907) 7.907 10.861 ( -1.638 -0.000 14.240) 14.334 11.158 ( -1.829 -0.000 12.200) 12.336 11.382 ( 9.190 -0.000 -6.724) 11.387 11.716 ( -1.424 -0.000 0.236) 1.444 11.792 ( 0.491 0.000 -10.501) 10.513 12.011 ( -1.840 -0.000 3.123) 3.625 12.490 ( -5.138 -0.000 2.970) 5.934 12.591 ( -5.182 -0.000 -0.624) 5.220 12.616 ( 1.800 -0.000 -2.871) 3.389 12.760 ( -0.797 -0.000 1.869) 2.032 13.538 ( 4.263 0.000 3.325) 5.407 14.855 ( -1.703 -0.000 5.359) 5.623 16.032 ( -1.158 -0.000 2.026) 2.334 16.879 ( -0.911 -0.000 -1.683) 1.914 17.389 ( -0.894 -0.000 -5.668) 5.738 ======================= Grid point 166 (73/282) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.407 19.031 0.599) 19.192 2.186 ( 1.640 5.432 6.749) 8.818 2.424 ( 5.742 -6.021 3.895) 9.186 2.579 ( 4.879 -11.923 -2.984) 13.224 2.950 ( 1.148 0.675 6.676) 6.807 2.970 ( 1.746 -1.664 7.374) 7.758 3.490 ( -6.257 10.232 11.478) 16.601 3.795 ( 1.609 3.619 -3.625) 5.369 3.947 ( 1.282 2.829 -1.241) 3.344 4.076 ( -0.767 -6.425 1.811) 6.719 4.326 ( -11.018 -2.453 3.692) 11.877 4.722 ( 7.721 4.386 -6.015) 10.725 4.790 ( 9.075 -3.534 -4.266) 10.633 5.112 ( -0.756 0.283 -5.141) 5.204 5.515 ( -1.218 3.944 -6.529) 7.724 5.680 ( 4.701 -2.802 0.800) 5.531 6.198 ( 0.349 -0.647 4.903) 4.958 6.641 ( -0.424 2.070 2.929) 3.612 6.893 ( 4.190 -2.220 -5.330) 7.134 6.937 ( 0.492 -4.849 -1.069) 4.990 7.324 ( 0.350 1.346 7.772) 7.895 7.568 ( 0.387 -4.469 3.281) 5.557 7.854 ( -4.393 1.267 5.232) 6.948 8.201 ( -1.985 1.379 -1.014) 2.621 8.267 ( 2.655 -1.031 1.524) 3.230 8.304 ( 10.602 -2.588 3.087) 11.341 8.997 ( -3.334 3.739 -3.632) 6.188 9.062 ( -3.451 -4.833 -6.101) 8.515 9.935 ( -4.843 13.903 -4.577) 15.417 10.092 ( 0.005 5.777 -6.789) 8.914 10.237 ( -1.267 -10.124 -14.804) 17.979 10.278 ( 11.226 -3.173 -9.044) 14.761 10.461 ( 0.039 -2.108 -5.252) 5.659 10.952 ( -2.898 -0.903 9.625) 10.092 11.231 ( -3.310 0.676 12.198) 12.657 11.425 ( 9.031 3.628 -10.836) 14.565 11.640 ( -2.501 5.811 -4.243) 7.618 11.730 ( 0.651 -6.054 -10.494) 12.133 12.050 ( 1.266 0.592 5.283) 5.465 12.305 ( -17.925 -2.229 -1.947) 18.168 12.502 ( -6.383 -0.041 0.075) 6.383 12.547 ( -7.200 -1.399 0.587) 7.358 12.771 ( 3.092 6.246 2.370) 7.362 13.725 ( 10.211 -3.670 4.248) 11.653 14.929 ( 4.135 0.685 6.406) 7.656 16.058 ( 0.935 -1.188 1.724) 2.293 16.822 ( -2.905 1.435 -3.339) 4.652 17.243 ( -7.760 2.380 -7.200) 10.850 ======================= Grid point 167 (74/282) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.686 15.200 3.129) 15.534 2.263 ( 3.303 8.530 9.082) 12.890 2.585 ( 8.334 -6.875 -3.223) 11.274 2.760 ( 4.579 -7.600 8.264) 12.125 2.953 ( -0.966 -3.813 0.618) 3.982 3.160 ( 4.509 1.334 10.055) 11.100 3.486 ( 0.109 12.020 16.493) 20.409 3.745 ( 0.840 3.142 -5.230) 6.159 3.903 ( -0.223 5.040 -1.488) 5.260 4.121 ( 0.820 -7.510 -5.802) 9.526 4.268 ( -7.373 -7.584 7.795) 13.139 4.696 ( 6.424 7.704 -9.935) 14.118 4.896 ( 5.467 1.520 -3.851) 6.858 5.071 ( 2.532 -0.842 -4.973) 5.644 5.410 ( -1.120 0.909 -6.351) 6.513 5.803 ( 8.876 0.170 0.981) 8.931 6.271 ( 2.951 -0.270 4.004) 4.981 6.613 ( -1.452 5.781 1.130) 6.067 6.954 ( 2.512 -7.083 -2.623) 7.960 7.000 ( 2.879 -8.712 -0.824) 9.213 7.393 ( 1.089 1.896 6.382) 6.746 7.643 ( -0.488 -5.575 3.440) 6.569 7.812 ( -5.160 1.540 3.055) 6.191 8.077 ( -7.970 2.664 -3.193) 8.989 8.333 ( 1.746 -2.069 1.994) 3.362 8.526 ( 11.448 -0.475 -1.376) 11.540 8.856 ( -5.193 -2.607 -4.569) 7.392 9.085 ( 4.274 -3.444 1.743) 5.759 9.710 ( -3.952 11.087 -4.910) 12.754 9.953 ( -4.256 10.014 -2.175) 11.097 10.154 ( -3.719 -9.176 -9.850) 13.966 10.402 ( 15.054 1.691 -9.609) 17.939 10.466 ( -0.737 -5.073 2.050) 5.521 10.963 ( -3.368 0.766 2.228) 4.111 11.299 ( 0.139 2.335 7.482) 7.840 11.383 ( 0.036 7.257 -3.880) 8.229 11.484 ( -1.309 4.180 -10.681) 11.544 11.664 ( -2.437 -4.723 -9.681) 11.043 12.022 ( -11.073 -3.315 -4.631) 12.452 12.126 ( -1.639 1.627 5.192) 5.682 12.390 ( -7.436 0.045 -1.650) 7.617 12.500 ( -6.869 -7.136 5.962) 11.561 12.811 ( 6.005 6.918 2.356) 9.459 13.927 ( 7.835 -2.145 3.008) 8.663 15.091 ( 9.252 0.706 6.482) 11.319 16.093 ( -0.515 -2.343 1.447) 2.802 16.695 ( -5.638 3.077 -5.683) 8.576 17.013 ( -9.270 4.703 -5.380) 11.705 ======================= Grid point 168 (75/282) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.119 9.236 8.225) 12.418 2.287 ( -2.527 5.009 5.086) 7.573 2.743 ( 9.379 -1.926 -0.701) 9.600 2.896 ( -2.951 -4.468 6.779) 8.638 3.068 ( 7.683 -6.631 3.921) 10.879 3.258 ( 0.191 3.959 8.094) 9.013 3.582 ( 2.578 7.203 5.654) 9.512 3.684 ( 0.441 4.215 -1.064) 4.369 3.882 ( 2.568 3.453 2.121) 4.798 4.112 ( 2.210 -4.623 -5.971) 7.868 4.359 ( -3.324 -11.922 8.816) 15.196 4.602 ( 3.920 11.240 -10.465) 15.850 4.876 ( 1.619 2.088 -4.895) 5.563 5.084 ( 4.112 1.572 -4.314) 6.164 5.355 ( 0.635 -1.878 -4.675) 5.078 5.955 ( 10.782 1.544 -0.309) 10.896 6.363 ( 5.124 0.571 1.755) 5.446 6.551 ( -0.463 5.640 -0.950) 5.738 7.010 ( -1.321 -8.255 0.398) 8.370 7.119 ( 4.121 -9.255 -1.575) 10.253 7.444 ( -0.279 0.941 3.966) 4.085 7.684 ( -2.992 -2.501 2.266) 4.511 7.731 ( -4.867 0.677 -1.536) 5.149 7.889 ( -8.836 1.523 -2.704) 9.365 8.374 ( -2.887 -0.967 6.957) 7.594 8.642 ( 8.692 -1.501 -3.718) 9.572 8.813 ( 0.921 -4.215 -3.824) 5.765 9.228 ( 2.835 -2.622 3.629) 5.299 9.594 ( 0.889 2.990 -0.662) 3.189 9.783 ( -5.322 14.271 3.509) 15.630 10.080 ( -3.172 -7.093 -6.448) 10.097 10.483 ( 3.218 3.687 2.000) 5.287 10.557 ( 7.450 -4.365 -4.191) 9.598 10.880 ( -2.973 9.836 -2.125) 10.493 11.172 ( -7.061 2.618 -4.843) 8.953 11.374 ( 6.971 2.897 -10.888) 13.249 11.427 ( -3.685 0.790 11.804) 12.391 11.547 ( -1.623 -0.978 -9.711) 9.894 11.902 ( -1.486 -8.793 -10.899) 14.082 12.123 ( -3.150 3.356 5.403) 7.098 12.245 ( -6.780 0.938 -4.453) 8.166 12.532 ( -5.493 -5.816 7.271) 10.810 12.902 ( 7.323 2.536 2.733) 8.217 14.053 ( 3.801 -0.232 3.081) 4.899 15.313 ( 12.426 0.643 5.377) 13.555 16.098 ( -4.306 -2.722 2.278) 5.580 16.502 ( -5.872 3.917 -8.522) 11.066 16.814 ( -7.161 5.376 -1.199) 9.034 ======================= Grid point 169 (76/282) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -4.587 2.205 12.721) 13.701 2.231 ( -5.406 0.772 1.501) 5.663 2.821 ( 0.934 1.433 0.277) 1.733 2.977 ( 1.894 -5.152 3.836) 6.697 3.248 ( -0.912 0.739 8.288) 8.370 3.279 ( 2.403 0.125 0.106) 2.408 3.537 ( -0.103 1.240 -6.526) 6.644 3.676 ( 0.590 4.794 3.925) 6.224 3.896 ( 0.102 0.699 -4.061) 4.122 4.222 ( 8.930 0.505 5.319) 10.406 4.418 ( -0.314 11.970 -6.159) 13.465 4.522 ( -1.258 -11.008 6.980) 13.095 4.851 ( 2.207 0.572 -4.307) 4.873 5.088 ( 3.363 2.074 -1.725) 4.312 5.356 ( 1.493 -3.799 -3.921) 5.660 6.076 ( 7.883 1.992 -3.040) 8.681 6.436 ( 3.366 -0.193 -1.158) 3.565 6.509 ( 2.618 6.034 -0.828) 6.629 7.041 ( -3.413 -7.559 0.178) 8.295 7.228 ( 4.580 -6.709 -1.760) 8.311 7.424 ( -3.551 -0.810 -2.010) 4.160 7.591 ( -8.546 3.818 0.737) 9.389 7.668 ( -0.629 -2.136 -1.817) 2.874 7.798 ( -3.120 -1.527 0.561) 3.519 8.436 ( -2.991 0.029 15.077) 15.370 8.759 ( 5.386 -8.773 -2.607) 10.619 8.888 ( 8.272 -2.123 0.472) 8.553 9.205 ( -7.606 2.152 2.829) 8.395 9.532 ( -9.156 3.853 1.709) 10.079 9.776 ( 8.570 5.844 1.087) 10.429 10.061 ( -0.074 -5.363 0.114) 5.364 10.488 ( 0.779 9.010 2.060) 9.276 10.593 ( -6.011 -1.443 0.119) 6.183 10.738 ( 8.108 11.150 -8.250) 16.066 11.099 ( -0.599 -3.548 -2.112) 4.172 11.335 ( 2.117 4.314 -5.948) 7.646 11.414 ( 4.569 0.915 -9.521) 10.600 11.540 ( -3.481 -2.588 8.698) 9.719 11.861 ( 0.924 -9.925 -12.149) 15.715 12.082 ( -6.112 -0.315 -0.212) 6.124 12.118 ( 1.479 4.335 -3.658) 5.862 12.542 ( -4.384 -0.377 5.450) 7.005 13.028 ( 3.656 -3.096 3.800) 6.115 14.117 ( 0.510 0.583 3.904) 3.981 15.556 ( 13.791 0.601 4.045) 14.384 16.013 ( -13.411 -0.228 3.376) 13.832 16.352 ( 2.544 0.406 -9.826) 10.159 16.692 ( -4.030 5.876 2.559) 7.571 ======================= Grid point 176 (77/282) ======================= q-point: (-0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -3.992 -0.000 1.648) 4.319 2.264 ( 3.971 0.000 -0.714) 4.034 2.615 ( 6.345 0.000 12.339) 13.874 2.630 ( 11.219 0.000 0.567) 11.233 2.925 ( -2.856 -0.000 2.058) 3.521 3.169 ( 5.102 0.000 10.097) 11.313 3.591 ( -1.392 -0.000 15.375) 15.438 3.764 ( -0.482 -0.000 -6.189) 6.207 3.988 ( 4.340 0.000 -4.937) 6.573 4.011 ( -3.179 -0.000 -0.562) 3.228 4.208 ( -9.671 -0.000 7.432) 12.197 4.774 ( 7.515 0.000 -10.498) 12.910 4.911 ( 10.013 0.000 -3.042) 10.465 5.054 ( 0.555 0.000 -5.460) 5.489 5.418 ( -1.901 -0.000 -7.665) 7.897 5.805 ( 9.254 0.000 1.969) 9.461 6.262 ( 0.682 0.000 6.807) 6.841 6.676 ( -1.397 -0.000 3.812) 4.060 6.896 ( 4.726 0.000 -5.635) 7.354 6.916 ( 2.074 0.000 -2.390) 3.165 7.423 ( 2.057 0.000 6.388) 6.711 7.587 ( 0.556 0.000 2.855) 2.909 7.824 ( -5.698 -0.000 3.074) 6.474 8.098 ( -8.284 -0.000 -3.182) 8.874 8.317 ( 2.023 0.000 2.387) 3.129 8.523 ( 13.446 0.000 -1.273) 13.506 8.834 ( -6.780 -0.000 -5.315) 8.615 9.057 ( 3.573 0.000 2.109) 4.149 9.874 ( -5.390 -0.000 -13.256) 14.310 9.914 ( -6.858 -0.000 -0.051) 6.858 10.147 ( 2.175 0.000 -5.215) 5.651 10.383 ( 5.262 0.000 -1.964) 5.617 10.431 ( 8.987 0.000 -7.001) 11.392 10.965 ( -4.352 -0.000 4.908) 6.560 11.317 ( -2.202 -0.000 13.374) 13.554 11.444 ( 8.340 0.000 -14.857) 17.038 11.546 ( -4.328 -0.000 -12.535) 13.261 11.607 ( -2.488 -0.000 -4.414) 5.067 11.988 ( -16.250 -0.000 -3.309) 16.583 12.142 ( 0.562 0.000 6.636) 6.659 12.394 ( -5.424 -0.000 -3.633) 6.528 12.437 ( -8.958 -0.000 6.984) 11.359 12.870 ( 5.249 0.000 0.460) 5.269 13.908 ( 8.679 0.000 4.050) 9.578 15.098 ( 8.950 0.000 6.786) 11.232 16.074 ( -0.938 -0.000 2.021) 2.228 16.719 ( -5.990 -0.000 -5.049) 7.834 17.050 ( -9.549 -0.000 -5.518) 11.029 ======================= Grid point 178 (78/282) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -5.515 6.782 5.753) 10.465 2.282 ( -1.600 -3.564 -2.918) 4.876 2.780 ( 8.996 5.738 7.472) 13.026 2.850 ( -0.131 -2.273 7.992) 8.310 2.961 ( 6.610 -6.146 2.067) 9.260 3.291 ( 0.756 0.829 6.953) 7.043 3.665 ( -1.396 2.589 -6.127) 6.797 3.752 ( 2.090 3.850 11.288) 12.108 3.941 ( 1.815 4.555 -0.999) 5.004 4.027 ( 1.280 -5.868 -2.559) 6.528 4.206 ( -4.712 -6.367 9.702) 12.524 4.750 ( 5.966 5.588 -10.447) 13.265 4.939 ( 3.403 6.165 -6.625) 9.668 5.064 ( 4.377 -4.463 -4.918) 7.953 5.341 ( -0.185 0.013 -4.525) 4.529 5.969 ( 10.536 0.273 -0.170) 10.541 6.347 ( 0.990 -1.126 6.361) 6.535 6.651 ( -2.474 5.275 2.372) 6.291 6.919 ( 3.284 -2.076 -4.454) 5.911 6.978 ( 5.071 -8.010 -2.804) 9.886 7.489 ( 1.134 3.273 3.395) 4.850 7.635 ( 0.100 -3.032 2.180) 3.736 7.737 ( -5.319 0.161 -2.432) 5.851 7.908 ( -10.959 0.767 -3.170) 11.434 8.361 ( -3.019 -0.531 8.530) 9.064 8.623 ( 6.426 -0.725 -7.818) 10.146 8.773 ( 2.647 -1.116 -1.840) 3.411 9.182 ( 5.126 -2.193 4.293) 7.037 9.666 ( -3.587 5.258 -6.507) 9.103 9.853 ( -4.895 -4.491 0.585) 6.669 10.102 ( 0.202 8.624 -0.992) 8.684 10.430 ( -2.182 -7.083 4.015) 8.429 10.557 ( 12.542 1.797 -4.669) 13.503 10.928 ( -2.650 -0.319 -0.382) 2.696 11.286 ( -10.240 7.792 -5.564) 14.019 11.410 ( 6.799 1.486 -11.174) 13.164 11.434 ( -1.309 -0.458 9.779) 9.877 11.526 ( -0.647 -1.293 -8.827) 8.945 11.791 ( -5.319 -4.402 -7.128) 9.923 12.141 ( -6.904 -0.226 3.624) 7.801 12.268 ( -3.028 1.271 -7.501) 8.188 12.459 ( -3.030 -2.812 11.821) 12.523 12.947 ( 6.313 2.106 -0.952) 6.722 14.047 ( 4.324 -0.304 3.767) 5.743 15.323 ( 12.040 0.457 6.169) 13.536 16.065 ( -4.321 -1.232 3.151) 5.488 16.544 ( -8.084 1.369 -6.873) 10.699 16.871 ( -7.472 1.928 -2.044) 7.982 ======================= Grid point 179 (79/282) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -8.987 3.203 9.947) 13.783 2.214 ( -6.484 -2.526 -2.766) 7.488 2.871 ( 0.088 3.329 2.227) 4.006 2.927 ( 3.550 0.386 6.924) 7.791 3.167 ( 4.505 -7.382 5.400) 10.196 3.321 ( -1.399 1.849 1.321) 2.669 3.548 ( -2.212 0.325 -8.518) 8.807 3.780 ( 0.045 7.759 4.659) 9.050 3.902 ( -1.572 0.025 -5.476) 5.697 4.196 ( 8.028 -2.355 11.536) 14.250 4.323 ( -1.883 -10.370 10.592) 14.943 4.654 ( 3.656 13.022 -10.615) 17.193 4.881 ( 2.726 2.768 -5.068) 6.386 5.107 ( 3.617 -1.427 -3.516) 5.242 5.308 ( 0.078 -1.220 -3.558) 3.762 6.094 ( 7.170 -0.063 -3.202) 7.853 6.410 ( -0.832 -0.642 3.178) 3.347 6.606 ( 0.064 4.107 1.610) 4.411 6.941 ( 2.141 -3.365 -4.087) 5.710 7.105 ( 5.879 -8.922 -2.412) 10.953 7.445 ( -3.369 2.421 -4.107) 5.837 7.632 ( -4.584 0.739 0.345) 4.656 7.657 ( -1.630 1.465 -1.208) 2.503 7.766 ( -3.343 -2.519 -0.316) 4.198 8.430 ( -3.599 -0.648 15.564) 15.988 8.639 ( 2.540 -5.976 -5.491) 8.504 8.866 ( 8.738 -0.950 -0.123) 8.791 9.222 ( -5.466 0.055 1.421) 5.648 9.545 ( -5.441 0.761 -2.709) 6.126 9.904 ( 6.905 0.665 4.333) 8.179 10.016 ( -2.496 7.243 1.027) 7.729 10.465 ( -7.035 -8.706 3.772) 11.812 10.655 ( 5.863 7.883 1.116) 9.888 10.913 ( 2.815 3.934 -2.355) 5.380 11.063 ( -1.396 3.274 -5.140) 6.252 11.390 ( 5.981 2.237 -9.494) 11.442 11.426 ( 2.506 0.686 -11.310) 11.605 11.516 ( -7.363 -0.654 13.638) 15.512 11.720 ( 0.435 -7.359 -10.181) 12.570 12.047 ( -10.253 -3.717 1.956) 11.079 12.165 ( 4.213 2.142 -10.261) 11.297 12.550 ( -1.231 0.793 9.595) 9.706 13.011 ( 4.387 0.424 -0.870) 4.492 14.121 ( 0.278 0.059 4.261) 4.271 15.569 ( 13.483 0.850 4.856) 14.356 16.004 ( -11.109 -0.817 4.433) 11.989 16.359 ( -3.205 0.391 -8.186) 8.800 16.761 ( -4.435 3.090 2.192) 5.833 ======================= Grid point 180 (80/282) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -14.035 -3.011 12.500) 19.034 2.081 ( -9.798 -4.234 -3.449) 11.217 2.856 ( 0.426 4.917 0.270) 4.943 3.017 ( -0.947 -2.303 5.509) 6.046 3.233 ( -5.359 3.243 -3.397) 7.126 3.266 ( -1.476 -4.734 -1.551) 5.196 3.439 ( -5.228 -3.490 -5.145) 8.123 3.761 ( -0.690 3.143 -0.394) 3.241 3.828 ( -1.198 3.263 0.817) 3.570 4.412 ( 5.202 -0.054 5.647) 7.678 4.463 ( -0.059 11.656 -2.203) 11.862 4.544 ( 3.072 -7.022 10.211) 12.767 4.863 ( 3.399 3.066 -5.535) 7.182 5.148 ( 2.964 0.534 2.101) 3.672 5.290 ( -0.446 -4.717 -4.265) 6.374 6.105 ( -0.062 0.471 -5.734) 5.754 6.391 ( -3.545 -1.682 -0.110) 3.925 6.620 ( 0.961 2.045 2.054) 3.054 6.951 ( 2.136 -2.095 -4.717) 5.586 7.249 ( 8.041 -7.479 -2.361) 11.232 7.328 ( -2.672 0.389 -6.099) 6.670 7.534 ( -3.842 3.638 2.069) 5.682 7.667 ( 2.296 0.494 -0.383) 2.380 7.761 ( -0.796 -1.285 -0.135) 1.518 8.567 ( -3.556 -1.509 20.633) 20.991 8.723 ( 4.774 -11.370 -0.927) 12.367 9.024 ( 9.126 -3.509 -0.844) 9.814 9.101 ( -10.290 0.724 2.574) 10.632 9.400 ( -10.057 1.865 -0.218) 10.231 9.862 ( -4.887 12.657 0.140) 13.569 10.145 ( 10.112 -6.282 3.606) 12.439 10.445 ( -7.407 -7.942 3.736) 11.485 10.631 ( 1.757 13.610 1.265) 13.781 10.852 ( 6.790 9.483 -8.673) 14.534 11.149 ( 8.849 0.169 2.333) 9.153 11.329 ( 0.711 3.716 -4.068) 5.555 11.412 ( 3.613 -1.967 -6.471) 7.668 11.477 ( -10.053 -3.793 5.585) 12.110 11.706 ( 3.537 -7.190 -11.081) 13.675 11.959 ( -5.688 -6.342 -1.413) 8.635 12.174 ( 10.103 2.434 -7.635) 12.896 12.582 ( -1.408 5.389 5.868) 8.090 13.048 ( -0.924 -2.334 0.777) 2.628 14.144 ( -2.520 0.012 4.021) 4.745 15.802 ( -17.307 1.418 2.557) 17.552 15.811 ( 12.667 1.216 3.440) 13.182 16.326 ( 5.507 -3.510 -5.524) 8.553 16.729 ( -1.631 3.611 5.925) 7.128 ======================= Grid point 188 (81/282) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -11.957 -0.000 9.071) 15.008 2.185 ( -4.944 -0.000 -4.249) 6.519 2.880 ( -0.968 -0.000 5.678) 5.760 2.989 ( 4.034 0.000 4.713) 6.204 3.070 ( 4.800 0.000 5.736) 7.479 3.333 ( -0.892 -0.000 0.681) 1.122 3.550 ( -3.135 -0.000 -9.420) 9.927 3.863 ( 0.191 0.000 6.124) 6.127 3.895 ( -1.954 -0.000 -7.855) 8.094 4.179 ( 8.162 0.000 14.847) 16.942 4.225 ( -2.265 -0.000 9.954) 10.209 4.769 ( 6.576 0.000 -9.062) 11.197 4.919 ( 0.479 0.000 -10.158) 10.169 5.063 ( 4.367 0.000 -1.928) 4.773 5.310 ( -0.821 -0.000 -2.151) 2.302 6.086 ( 6.368 0.000 -3.678) 7.354 6.415 ( -0.319 -0.000 6.780) 6.788 6.625 ( -5.409 -0.000 1.159) 5.532 6.966 ( 8.176 0.000 -6.368) 10.363 6.985 ( 5.618 0.000 -2.383) 6.103 7.467 ( -4.438 -0.000 -5.692) 7.218 7.635 ( -2.079 -0.000 0.739) 2.207 7.681 ( 0.855 0.000 -0.020) 0.856 7.737 ( -6.396 -0.000 -1.297) 6.526 8.424 ( -4.185 -0.000 16.113) 16.647 8.591 ( 1.700 0.000 -6.812) 7.021 8.859 ( 8.321 0.000 -0.514) 8.336 9.219 ( -3.513 -0.000 0.543) 3.555 9.560 ( -5.529 -0.000 -2.924) 6.255 9.866 ( 5.306 0.000 4.274) 6.814 10.157 ( -0.053 -0.000 2.201) 2.202 10.346 ( -8.678 -0.000 2.080) 8.924 10.740 ( 9.018 0.000 6.558) 11.150 10.886 ( 1.443 0.000 -3.971) 4.225 11.139 ( -4.451 -0.000 -6.200) 7.632 11.398 ( 7.907 0.000 -12.423) 14.726 11.433 ( 1.466 0.000 -10.279) 10.383 11.512 ( -7.689 -0.000 14.640) 16.537 11.663 ( 0.438 0.000 -8.171) 8.182 12.008 ( -12.347 -0.000 2.323) 12.564 12.183 ( 5.245 0.000 -12.560) 13.611 12.557 ( 0.013 0.000 11.546) 11.546 13.019 ( 4.528 0.000 -2.879) 5.365 14.121 ( 0.201 0.000 4.417) 4.421 15.577 ( 13.374 0.000 5.167) 14.337 15.996 ( -10.211 -0.000 4.835) 11.298 16.362 ( -5.464 -0.000 -7.446) 9.236 16.785 ( -4.620 -0.000 2.000) 5.035 ======================= Grid point 189 (82/282) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -17.236 -0.919 10.669) 20.292 2.032 ( -10.935 -1.815 -3.791) 11.715 2.923 ( 1.264 2.195 3.001) 3.927 3.025 ( -1.828 4.258 4.404) 6.393 3.162 ( -3.295 -7.747 2.266) 8.718 3.267 ( -4.292 1.127 -5.038) 6.714 3.393 ( -5.920 -1.628 -9.984) 11.720 3.770 ( -3.744 -0.335 -7.164) 8.091 3.929 ( 1.802 6.152 8.643) 10.761 4.325 ( -0.361 -5.849 9.959) 11.555 4.454 ( 6.551 -1.888 14.792) 16.287 4.709 ( 4.066 13.560 -10.465) 17.604 4.866 ( 3.543 -4.555 -7.736) 9.651 5.138 ( 3.722 -1.220 2.280) 4.532 5.257 ( -3.145 0.121 -1.721) 3.588 6.089 ( -0.413 -1.485 -5.745) 5.949 6.418 ( -4.244 4.291 2.356) 6.478 6.568 ( -5.111 -6.167 0.543) 8.028 6.997 ( 8.828 6.832 -4.770) 12.140 7.122 ( 9.065 -8.536 -3.249) 12.868 7.336 ( -2.938 0.295 -6.890) 7.497 7.578 ( -2.868 1.704 1.440) 3.634 7.689 ( 2.057 2.252 -0.133) 3.053 7.731 ( 0.652 -2.523 0.002) 2.606 8.543 ( -3.403 -1.082 18.666) 19.004 8.593 ( 2.268 -4.675 -1.313) 5.359 8.979 ( 8.067 -1.757 -2.708) 8.689 9.110 ( -9.772 0.337 0.489) 9.790 9.440 ( -9.487 2.251 2.567) 10.083 10.044 ( 4.912 -2.042 6.850) 8.673 10.085 ( -0.644 12.418 -0.535) 12.446 10.292 ( -7.086 -12.109 3.718) 14.514 10.825 ( 3.880 11.761 0.416) 12.391 10.954 ( 3.919 -0.964 -5.200) 6.583 11.100 ( 8.702 -2.248 1.969) 9.201 11.369 ( 4.920 0.333 -11.457) 12.473 11.421 ( -1.345 1.899 1.535) 2.788 11.435 ( -12.008 -1.342 6.713) 13.822 11.640 ( 7.961 -1.027 -12.893) 15.188 11.849 ( -11.568 -5.850 0.114) 12.963 12.203 ( 12.530 1.105 -10.689) 16.507 12.647 ( -0.448 2.363 8.241) 8.585 13.032 ( 0.665 -0.225 -2.619) 2.711 14.142 ( -2.992 -0.127 4.262) 5.209 15.818 ( -16.774 0.552 3.125) 17.071 15.827 ( 12.801 0.635 3.833) 13.378 16.284 ( 2.739 -1.554 -4.810) 5.750 16.765 ( -2.958 1.116 6.214) 6.972 ======================= Grid point 190 (83/282) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -21.765 -5.642 9.787) 24.522 1.813 ( -16.291 -5.272 -3.248) 17.428 2.881 ( -8.784 4.315 -3.691) 10.459 2.950 ( -10.001 -2.434 3.902) 11.008 3.104 ( -5.956 -0.430 -7.302) 9.432 3.149 ( -5.004 -2.028 -2.848) 6.104 3.219 ( -7.051 -5.785 -4.509) 10.174 3.687 ( -1.137 -2.621 -3.547) 4.555 3.977 ( 1.693 10.983 8.166) 13.790 4.481 ( 1.301 -7.707 7.649) 10.936 4.557 ( 4.391 16.095 -8.050) 18.524 4.682 ( 3.192 -2.939 12.784) 13.500 4.875 ( 4.362 0.411 -7.508) 8.693 5.181 ( -2.403 -1.755 -2.583) 3.940 5.241 ( -0.175 -1.092 6.915) 7.003 5.995 ( -4.483 -1.046 -6.524) 7.985 6.320 ( -5.794 1.093 0.398) 5.909 6.540 ( -6.490 -8.358 -0.553) 10.596 7.042 ( 9.994 8.480 -3.726) 13.626 7.248 ( -0.912 0.463 -4.623) 4.735 7.314 ( 11.044 -7.860 -2.525) 13.788 7.570 ( 1.046 3.717 2.860) 4.805 7.702 ( 0.834 1.365 -0.231) 1.616 7.758 ( 2.623 -1.183 -0.745) 2.973 8.645 ( -3.826 -2.616 9.957) 10.983 8.755 ( 2.965 -11.333 11.545) 16.447 8.956 ( -9.613 0.323 1.116) 9.683 9.056 ( 3.025 -5.787 -8.028) 10.348 9.297 ( -9.178 4.321 6.268) 11.924 9.890 ( -8.576 14.697 6.189) 18.107 10.254 ( 9.546 -6.365 -2.706) 11.788 10.352 ( -2.188 -7.663 5.644) 9.766 10.759 ( 1.596 11.345 -1.826) 11.602 10.925 ( 3.476 7.217 -5.352) 9.634 11.219 ( -17.765 -4.069 5.305) 18.982 11.348 ( 6.887 -1.643 3.116) 7.736 11.383 ( 11.149 -1.229 -4.311) 12.016 11.476 ( 7.406 3.855 -1.847) 8.551 11.636 ( 2.156 -3.743 -4.995) 6.604 11.797 ( 0.829 -10.519 -6.816) 12.562 12.307 ( 13.189 2.438 -6.888) 15.077 12.660 ( -1.663 6.097 4.396) 7.699 12.991 ( -4.592 -0.993 -0.700) 4.750 14.118 ( -4.747 -0.427 2.511) 5.387 15.542 ( -19.208 1.288 1.046) 19.279 16.053 ( 12.247 1.976 3.248) 12.824 16.356 ( 7.372 -4.664 -2.329) 9.029 16.799 ( -1.628 0.425 9.606) 9.752 ======================= Grid point 199 (84/282) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -23.187 -0.000 9.643) 25.112 1.771 ( -17.856 -0.000 -3.176) 18.137 2.893 ( -25.926 -0.000 0.904) 25.942 2.988 ( 1.466 0.000 -3.856) 4.125 3.045 ( -3.136 -0.000 -1.849) 3.640 3.137 ( -6.274 -0.000 -2.271) 6.672 3.186 ( -4.646 -0.000 -8.551) 9.731 3.665 ( -1.931 -0.000 -3.879) 4.333 4.088 ( 2.753 0.000 9.143) 9.549 4.392 ( 0.846 0.000 7.759) 7.805 4.661 ( 3.858 0.000 12.302) 12.892 4.763 ( 2.438 0.000 -6.912) 7.330 4.798 ( 7.479 0.000 -11.403) 13.637 5.184 ( -5.174 -0.000 0.520) 5.200 5.229 ( 0.979 0.000 7.290) 7.356 5.980 ( -4.238 -0.000 -6.364) 7.646 6.366 ( -7.820 -0.000 0.634) 7.846 6.435 ( -5.336 -0.000 -1.917) 5.670 7.174 ( 10.938 0.000 -3.117) 11.373 7.189 ( 11.336 0.000 -2.677) 11.648 7.252 ( -0.642 -0.000 -4.576) 4.621 7.602 ( 1.891 0.000 2.321) 2.994 7.714 ( 1.168 0.000 -0.355) 1.220 7.746 ( 2.041 0.000 -0.335) 2.069 8.616 ( 1.902 0.000 2.782) 3.370 8.667 ( -3.192 -0.000 17.586) 17.873 8.961 ( -10.523 -0.000 1.030) 10.574 9.009 ( 3.112 0.000 -8.179) 8.751 9.337 ( -10.817 -0.000 7.243) 13.018 10.050 ( -11.438 -0.000 6.938) 13.377 10.199 ( 9.311 0.000 -0.490) 9.324 10.248 ( 1.063 0.000 6.586) 6.671 10.878 ( -1.338 -0.000 -3.821) 4.049 10.981 ( 11.959 0.000 -9.707) 15.403 11.151 ( -21.702 -0.000 9.093) 23.530 11.340 ( 6.650 0.000 8.855) 11.074 11.360 ( 8.530 0.000 -11.538) 14.349 11.549 ( 8.104 0.000 4.513) 9.276 11.625 ( -11.189 -0.000 -1.617) 11.305 11.668 ( 13.383 0.000 -14.654) 19.845 12.327 ( 13.728 0.000 -7.413) 15.602 12.710 ( -1.791 -0.000 5.517) 5.800 12.984 ( -3.207 -0.000 -2.614) 4.137 14.114 ( -5.007 -0.000 2.732) 5.704 15.552 ( -19.346 -0.000 1.181) 19.382 16.072 ( 13.238 0.000 3.240) 13.628 16.315 ( 6.127 0.000 -2.058) 6.464 16.801 ( -3.413 -0.000 9.987) 10.554 ======================= Grid point 200 (85/282) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -27.117 -4.119 6.821) 28.264 1.441 ( -24.084 -4.801 -1.332) 24.594 2.354 ( -40.160 -7.595 -4.728) 41.145 2.890 ( -6.080 2.233 -6.074) 8.879 2.941 ( -3.448 -0.150 -6.371) 7.246 3.072 ( -4.383 1.664 2.395) 5.265 3.121 ( -1.923 -3.497 0.152) 3.994 3.630 ( -0.243 -2.327 -2.124) 3.160 4.156 ( 1.781 9.991 4.801) 11.227 4.494 ( 2.270 -7.198 0.759) 7.585 4.676 ( 4.493 13.092 -5.176) 14.777 4.822 ( 1.499 -0.774 9.947) 10.089 4.845 ( 5.326 -6.652 -7.357) 11.258 5.113 ( -5.278 2.013 2.930) 6.364 5.276 ( -5.092 -0.822 6.937) 8.644 5.874 ( -1.583 -0.998 -5.059) 5.394 6.229 ( -7.909 1.045 -0.226) 7.981 6.370 ( -4.975 -6.213 -2.076) 8.225 7.209 ( -0.712 1.445 1.013) 1.902 7.257 ( 10.773 9.408 -3.369) 14.694 7.403 ( 11.357 -8.423 -2.125) 14.298 7.654 ( 2.436 2.714 2.496) 4.419 7.723 ( 0.483 2.537 0.597) 2.650 7.786 ( 2.907 -2.963 -0.528) 4.184 8.656 ( -3.092 0.251 4.935) 5.829 8.770 ( -7.975 0.418 5.782) 9.859 8.851 ( -4.655 -7.518 2.183) 9.108 8.929 ( -2.696 -4.610 -0.778) 5.397 9.295 ( -2.651 0.201 6.358) 6.892 9.948 ( -5.532 9.232 7.123) 12.906 10.296 ( 4.903 -0.794 -4.003) 6.379 10.363 ( 0.430 -4.825 7.492) 8.921 10.818 ( 0.142 5.147 -3.180) 6.051 10.847 ( -20.226 3.259 6.315) 21.438 11.086 ( 8.671 -3.826 -6.983) 11.772 11.395 ( 5.351 -4.302 -9.111) 11.409 11.473 ( -4.850 -3.885 0.336) 6.223 11.492 ( 8.738 0.928 -4.779) 10.003 11.776 ( 11.995 1.251 8.491) 14.749 11.818 ( 14.531 -1.513 -1.359) 14.673 12.456 ( 11.715 1.440 -5.359) 12.963 12.694 ( -3.353 3.619 2.193) 5.399 12.887 ( -6.731 -0.144 -1.723) 6.950 14.048 ( -5.477 -0.360 -0.020) 5.488 15.268 ( -18.434 0.545 0.878) 18.463 16.278 ( 10.581 3.404 2.686) 11.435 16.425 ( 7.767 -4.146 -0.680) 8.830 16.866 ( -2.746 -2.476 12.292) 12.836 ======================= Grid point 210 (86/282) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -30.182 -0.000 3.078) 30.338 1.009 ( -30.227 -0.000 4.068) 30.500 1.602 ( -49.614 -0.000 3.844) 49.763 2.732 ( -6.668 -0.000 -4.097) 7.826 2.855 ( -2.689 -0.000 -2.292) 3.533 3.054 ( -4.530 -0.000 4.295) 6.243 3.063 ( -3.342 -0.000 0.601) 3.396 3.603 ( 0.384 0.000 -1.859) 1.898 4.245 ( 1.006 0.000 -0.852) 1.318 4.458 ( 3.005 0.000 -9.460) 9.926 4.759 ( 2.723 0.000 -8.540) 8.964 4.788 ( 1.737 0.000 2.792) 3.288 4.957 ( 3.505 0.000 8.042) 8.773 5.112 ( -4.284 -0.000 8.757) 9.748 5.213 ( -7.590 -0.000 3.129) 8.210 5.840 ( 1.767 0.000 -2.357) 2.945 6.092 ( -8.258 -0.000 -1.725) 8.437 6.274 ( -2.523 -0.000 -1.687) 3.035 7.245 ( 0.009 0.000 9.795) 9.795 7.472 ( 9.611 0.000 -0.258) 9.615 7.481 ( 9.756 0.000 -2.304) 10.025 7.714 ( 1.161 0.000 1.716) 2.072 7.774 ( 0.922 0.000 1.730) 1.961 7.778 ( 0.073 0.000 -0.268) 0.278 8.621 ( -6.977 -0.000 2.849) 7.536 8.649 ( -8.700 -0.000 -4.257) 9.685 8.746 ( -2.919 -0.000 1.206) 3.158 8.996 ( 3.944 0.000 14.504) 15.030 9.340 ( -0.562 -0.000 9.295) 9.312 9.951 ( -2.383 -0.000 -2.706) 3.606 10.346 ( 0.449 0.000 4.999) 5.019 10.410 ( -0.349 -0.000 5.508) 5.519 10.590 ( -16.227 -0.000 2.720) 16.453 10.816 ( 0.480 0.000 -6.294) 6.313 11.162 ( 10.782 0.000 -7.248) 12.992 11.274 ( -5.598 -0.000 -0.955) 5.678 11.484 ( 5.321 0.000 -1.218) 5.459 11.602 ( 11.532 0.000 -3.099) 11.941 12.058 ( 11.272 0.000 9.875) 14.986 12.059 ( 11.675 0.000 4.693) 12.583 12.572 ( 8.853 0.000 -4.354) 9.866 12.653 ( -5.192 -0.000 0.577) 5.223 12.758 ( -6.433 -0.000 -2.761) 7.000 13.955 ( -4.384 -0.000 -2.817) 5.211 15.020 ( -15.664 -0.000 2.088) 15.803 16.473 ( 8.540 0.000 2.199) 8.819 16.509 ( 6.292 0.000 0.076) 6.292 16.922 ( -2.165 -0.000 8.578) 8.847 ======================= Grid point 211 (87/282) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 13.572 0.000 26.950) 30.174 1.237 ( -4.322 -0.000 28.039) 28.370 1.842 ( -12.846 -0.000 43.699) 45.548 2.729 ( 4.421 0.000 4.414) 6.247 3.007 ( 4.099 0.000 8.498) 9.435 3.170 ( -3.951 -0.000 8.365) 9.251 3.415 ( -0.834 -0.000 -0.162) 0.850 3.535 ( 0.479 0.000 -1.178) 1.272 3.817 ( 0.779 0.000 -16.001) 16.020 3.924 ( 5.288 0.000 -15.751) 16.615 4.504 ( -0.679 -0.000 -7.952) 7.981 4.928 ( 3.242 0.000 -5.666) 6.528 4.969 ( -2.579 -0.000 -6.334) 6.839 5.276 ( 1.173 0.000 2.958) 3.182 5.295 ( -5.478 -0.000 4.840) 7.310 5.722 ( 2.751 0.000 -11.408) 11.735 5.862 ( 1.623 0.000 -0.098) 1.626 6.148 ( 1.053 0.000 -3.809) 3.952 7.566 ( -0.130 -0.000 -4.706) 4.708 7.639 ( 1.610 0.000 -1.123) 1.963 7.698 ( -0.492 -0.000 -1.711) 1.780 7.711 ( 3.746 0.000 -2.407) 4.453 7.889 ( -2.009 -0.000 6.315) 6.627 7.912 ( 0.613 0.000 5.817) 5.849 8.504 ( -2.064 -0.000 0.354) 2.094 8.531 ( 0.152 0.000 1.245) 1.255 8.861 ( -1.659 -0.000 6.634) 6.838 9.165 ( 4.480 0.000 -3.266) 5.545 9.500 ( -1.947 -0.000 -6.682) 6.960 9.635 ( -14.477 -0.000 5.996) 15.670 9.953 ( 0.028 0.000 -13.045) 13.045 10.215 ( -4.395 -0.000 -6.733) 8.041 10.538 ( 0.453 0.000 -0.049) 0.456 10.918 ( -0.281 -0.000 11.846) 11.850 11.130 ( 6.863 0.000 -3.339) 7.632 11.434 ( -4.437 -0.000 -6.985) 8.275 11.534 ( -0.044 -0.000 -1.496) 1.496 11.761 ( -9.366 -0.000 -17.006) 19.415 12.057 ( -12.582 -0.000 -4.099) 13.233 12.229 ( 17.704 0.000 0.085) 17.705 12.690 ( -4.385 -0.000 9.165) 10.160 12.747 ( -7.212 -0.000 0.545) 7.232 12.772 ( 2.922 0.000 2.446) 3.810 13.735 ( 8.806 0.000 -4.518) 9.897 14.975 ( -1.349 -0.000 7.069) 7.196 15.787 ( -7.028 -0.000 -7.855) 10.541 16.627 ( -2.014 -0.000 0.614) 2.106 16.664 ( 0.337 0.000 1.639) 1.673 ======================= Grid point 212 (88/282) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 4.186 -1.793 23.665) 24.099 1.645 ( 10.216 -4.506 25.467) 27.807 2.232 ( 4.900 -9.799 34.456) 36.156 2.872 ( 8.336 -0.324 3.593) 9.083 3.179 ( 6.669 0.060 8.801) 11.042 3.201 ( -2.564 0.983 8.427) 8.863 3.356 ( -3.673 2.624 -2.263) 5.050 3.540 ( 2.683 -0.334 -0.957) 2.868 3.672 ( 0.703 1.101 -11.306) 11.381 3.877 ( 3.243 -4.832 -13.548) 14.745 4.392 ( -2.257 0.643 -9.796) 10.073 4.855 ( -0.111 3.081 -7.485) 8.095 4.925 ( 3.178 -0.144 -5.726) 6.550 5.213 ( -5.502 6.810 3.445) 9.408 5.342 ( 0.594 -2.843 3.337) 4.424 5.659 ( 5.894 1.185 -12.321) 13.710 5.932 ( 5.830 -2.343 -1.009) 6.364 6.161 ( 3.734 -4.392 -4.471) 7.295 7.469 ( -1.344 6.981 -4.258) 8.287 7.581 ( -1.443 8.773 -0.876) 8.934 7.701 ( -2.276 -6.909 -1.926) 7.525 7.721 ( -1.574 -4.993 -3.104) 6.087 7.887 ( -2.266 6.539 6.269) 9.337 7.975 ( -1.497 -1.315 5.041) 5.420 8.501 ( 1.558 0.423 0.001) 1.614 8.553 ( 1.475 1.724 1.412) 2.672 8.909 ( -0.797 -0.527 7.997) 8.054 9.185 ( 1.033 0.561 0.084) 1.178 9.438 ( -1.612 -0.792 -1.534) 2.362 9.485 ( -19.775 -5.713 17.236) 26.847 9.895 ( 8.305 1.154 -8.614) 12.021 10.147 ( -1.507 -7.367 -4.794) 8.917 10.566 ( 1.583 0.255 1.781) 2.397 10.989 ( -1.714 3.895 4.880) 6.475 11.153 ( -0.305 -3.721 -5.342) 6.517 11.365 ( 3.185 6.352 -7.991) 10.694 11.406 ( -4.535 4.097 -9.672) 11.441 11.519 ( 1.200 -4.761 -15.348) 16.114 11.849 ( -12.479 -4.836 -1.664) 13.486 12.413 ( 8.002 3.651 -5.796) 10.534 12.592 ( -9.120 -0.209 -0.874) 9.164 12.671 ( -10.037 -0.830 13.021) 16.461 12.887 ( 7.269 1.942 4.548) 8.792 13.854 ( 8.807 -0.351 -0.607) 8.834 15.061 ( 4.146 0.471 5.945) 7.264 15.766 ( 10.080 -5.146 -11.637) 16.233 16.560 ( -6.377 1.015 0.647) 6.490 16.678 ( -3.481 -4.538 1.183) 5.840 ======================= Grid point 213 (89/282) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 4.891 -1.067 19.117) 19.761 2.045 ( 4.098 -7.403 24.062) 25.507 2.675 ( 8.121 -5.992 15.738) 18.696 3.027 ( 6.087 -2.040 1.865) 6.685 3.215 ( 1.462 6.313 -1.383) 6.626 3.277 ( -4.010 0.475 7.640) 8.642 3.347 ( 6.049 -2.066 1.620) 6.594 3.573 ( 0.495 -0.871 -2.727) 2.905 3.690 ( 6.781 -3.220 6.112) 9.680 3.834 ( 2.724 -5.274 -10.040) 11.664 4.242 ( -3.468 -0.848 -11.010) 11.574 4.777 ( 2.692 2.456 -7.635) 8.460 4.930 ( 5.600 1.734 -5.919) 8.330 5.101 ( -5.236 9.390 4.117) 11.513 5.390 ( -0.472 -0.703 2.325) 2.474 5.670 ( 12.493 0.248 -11.801) 17.187 6.039 ( 6.378 -3.898 -1.201) 7.571 6.233 ( 5.896 -6.459 -5.040) 10.094 7.357 ( -1.891 6.449 -2.553) 7.189 7.476 ( -2.958 7.937 -0.420) 8.480 7.664 ( -4.112 -2.111 -3.326) 5.695 7.686 ( -5.616 -6.723 -1.723) 8.928 7.854 ( -2.365 7.254 5.231) 9.251 7.973 ( -3.665 1.307 2.697) 4.735 8.545 ( 3.140 2.266 3.124) 4.975 8.583 ( 3.918 3.480 2.715) 5.902 9.007 ( 0.139 -1.521 8.770) 8.902 9.221 ( 1.203 -1.216 4.896) 5.186 9.426 ( -1.988 -1.130 4.488) 5.037 9.481 ( -11.765 -10.680 15.881) 22.466 10.008 ( 13.097 -2.740 -6.030) 14.677 10.168 ( 0.957 -7.487 -2.013) 7.812 10.597 ( -1.842 1.243 3.435) 4.091 10.806 ( -9.279 9.668 -10.765) 17.189 11.063 ( 3.187 0.466 -13.665) 14.039 11.254 ( 2.034 0.307 -2.890) 3.547 11.361 ( -3.684 -5.357 -16.784) 18.000 11.481 ( 6.087 1.369 2.362) 6.671 11.744 ( -1.480 -5.097 -6.430) 8.338 12.305 ( -7.112 6.298 -1.285) 9.586 12.441 ( -11.855 -1.475 -0.389) 11.953 12.700 ( -1.194 -0.288 4.704) 4.861 13.045 ( 7.116 4.373 9.253) 12.465 13.982 ( 6.474 -0.913 1.536) 6.716 15.205 ( 8.249 0.445 4.944) 9.628 15.873 ( 14.227 -5.704 -14.379) 21.016 16.435 ( -10.698 -0.446 0.869) 10.743 16.654 ( -5.603 -5.340 1.084) 7.816 ======================= Grid point 214 (90/282) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 3.210 0.130 15.205) 15.541 2.328 ( -2.789 -5.209 19.589) 20.461 2.826 ( 1.620 2.554 1.197) 3.253 3.085 ( -2.273 -1.559 2.473) 3.703 3.212 ( 4.442 1.566 -2.234) 5.213 3.307 ( -0.382 -1.235 -0.079) 1.295 3.450 ( 1.998 -1.815 4.736) 5.451 3.582 ( 2.638 -3.546 -2.501) 5.078 3.775 ( 1.427 -2.968 -5.304) 6.243 3.997 ( 6.220 -4.281 5.907) 9.587 4.135 ( 1.551 -7.019 -3.201) 7.869 4.751 ( 5.263 3.332 -5.964) 8.624 4.943 ( 4.184 4.484 -2.975) 6.817 5.020 ( 0.013 8.760 4.482) 9.840 5.385 ( 1.114 3.157 -1.733) 3.769 5.786 ( 13.673 -2.681 -9.606) 16.924 6.167 ( 6.700 -6.562 -0.986) 9.430 6.324 ( 6.052 -5.430 -4.978) 9.534 7.267 ( -2.983 3.670 -0.748) 4.788 7.358 ( -3.306 7.757 -1.197) 8.517 7.550 ( -5.709 1.491 -4.460) 7.397 7.624 ( -6.638 -4.287 -0.012) 7.902 7.799 ( -3.210 6.385 2.545) 7.586 7.908 ( -4.887 2.174 0.969) 5.436 8.624 ( 3.640 5.225 10.412) 12.205 8.709 ( 11.315 1.708 2.008) 11.618 9.066 ( -2.917 5.059 10.878) 12.347 9.299 ( -4.298 -2.820 8.310) 9.772 9.525 ( 1.832 -6.463 7.945) 10.404 9.562 ( -3.130 -9.912 7.499) 12.817 10.128 ( 6.276 0.852 -5.185) 8.186 10.267 ( 6.216 -5.561 -1.477) 8.470 10.389 ( -14.073 -1.462 -6.242) 15.464 10.671 ( 1.917 2.970 -1.406) 3.804 11.029 ( 8.846 -1.368 -15.130) 17.580 11.104 ( -6.089 -4.773 -14.846) 16.741 11.331 ( 4.563 2.868 1.069) 5.494 11.575 ( 3.734 0.424 1.061) 3.905 11.727 ( 8.435 -1.244 -13.902) 16.309 12.159 ( -8.290 1.138 3.082) 8.917 12.249 ( -14.618 -0.014 2.103) 14.769 12.692 ( -3.219 1.610 1.872) 4.057 13.187 ( 5.240 7.057 8.107) 11.958 14.092 ( 4.022 -1.693 2.324) 4.944 15.405 ( 11.321 -0.217 5.467) 12.574 15.995 ( 14.686 -4.348 -13.569) 20.463 16.261 ( -14.497 -1.710 1.374) 14.662 16.626 ( -4.969 -6.110 1.530) 8.023 ======================= Grid point 215 (91/282) ======================= q-point: (-0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -0.474 2.166 9.196) 9.459 2.405 ( -11.408 2.769 17.021) 20.677 2.798 ( -2.081 -0.303 -1.503) 2.585 3.101 ( -2.442 -3.586 3.314) 5.459 3.207 ( 2.717 3.212 -6.435) 7.689 3.258 ( -2.609 -0.661 -5.216) 5.869 3.525 ( -2.123 -3.081 6.772) 7.737 3.661 ( 4.910 -4.055 -1.278) 6.495 3.754 ( 1.540 -2.106 -5.875) 6.429 4.009 ( -2.153 -8.164 -3.874) 9.290 4.384 ( 6.012 -9.695 10.552) 15.539 4.751 ( 6.328 6.319 -5.344) 10.418 4.926 ( 0.947 12.002 6.669) 13.763 5.075 ( 6.561 0.536 1.328) 6.715 5.348 ( 2.574 6.243 -4.072) 7.885 5.897 ( 8.688 -4.236 -9.557) 13.593 6.326 ( 7.053 -8.639 -0.493) 11.163 6.396 ( 4.453 -2.856 -3.214) 6.190 7.153 ( -7.284 4.966 -0.843) 8.856 7.277 ( 2.202 5.412 -2.112) 6.213 7.396 ( -5.007 3.707 -4.686) 7.796 7.562 ( -5.423 -2.227 1.856) 6.149 7.718 ( -3.053 4.717 0.714) 5.664 7.824 ( -4.825 0.985 -0.071) 4.925 8.794 ( 9.464 6.597 12.341) 16.893 8.897 ( 12.516 5.089 1.365) 13.580 9.071 ( -6.539 4.484 13.072) 15.289 9.301 ( -7.783 0.189 9.947) 12.631 9.548 ( -10.151 -0.551 1.558) 10.285 9.671 ( 2.801 -3.445 -2.520) 5.105 10.105 ( 0.615 -6.162 -0.531) 6.215 10.291 ( -1.256 -11.598 0.567) 11.680 10.430 ( 4.983 -9.051 -2.273) 10.579 10.634 ( 1.840 5.529 -6.410) 8.663 10.906 ( 0.612 -5.365 -13.021) 14.096 11.127 ( 11.249 -2.555 -7.879) 13.970 11.393 ( 4.521 6.994 4.327) 9.385 11.595 ( 4.915 -0.427 -9.977) 11.130 11.742 ( 7.139 3.192 -4.974) 9.268 12.016 ( -13.434 1.260 -0.298) 13.497 12.140 ( -5.830 -4.914 6.589) 10.077 12.629 ( -4.240 2.773 1.450) 5.270 13.237 ( 1.161 9.122 4.409) 10.198 14.166 ( 1.067 -2.001 1.295) 2.611 15.652 ( 12.133 -0.613 6.734) 13.890 16.039 ( -14.291 -3.617 -2.180) 14.902 16.134 ( 11.198 -0.691 -5.900) 12.676 16.644 ( -1.295 -6.957 2.490) 7.502 ======================= Grid point 216 (92/282) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -8.376 6.072 2.736) 10.701 2.292 ( -18.557 7.916 14.669) 24.944 2.778 ( -1.522 -4.131 -0.159) 4.406 3.064 ( -2.478 -1.936 -9.968) 10.452 3.109 ( -3.819 -0.670 -4.828) 6.192 3.229 ( -2.017 2.201 6.978) 7.590 3.542 ( -6.393 -0.420 3.968) 7.535 3.671 ( 2.320 0.866 -6.699) 7.142 3.819 ( 2.070 -4.615 2.577) 5.676 4.030 ( 0.049 -12.893 -3.270) 13.301 4.599 ( 0.494 -10.866 7.656) 13.301 4.729 ( 5.605 9.193 -6.165) 12.407 4.937 ( 1.761 10.760 9.188) 14.258 5.184 ( 3.475 -0.028 -0.004) 3.476 5.311 ( 3.956 5.452 0.096) 6.737 5.909 ( 1.488 -3.505 -9.945) 10.649 6.409 ( 0.773 1.565 0.026) 1.745 6.521 ( 6.275 -10.442 0.019) 12.182 6.977 ( -5.940 8.352 -3.104) 10.709 7.229 ( -2.419 0.600 -3.533) 4.324 7.326 ( 5.965 6.240 -1.508) 8.764 7.541 ( -2.340 -1.947 2.984) 4.263 7.671 ( -0.276 1.056 0.063) 1.093 7.755 ( -3.044 -0.572 -0.862) 3.215 8.947 ( 1.852 11.363 3.684) 12.088 9.031 ( 13.029 10.410 1.387) 16.735 9.072 ( -4.377 -0.018 9.916) 10.839 9.198 ( -9.842 8.524 -0.885) 13.050 9.395 ( -10.064 -4.714 8.786) 14.167 9.713 ( -4.071 -9.681 4.661) 11.490 10.166 ( 4.113 -4.033 -10.393) 11.883 10.392 ( -1.368 -9.552 -1.669) 9.793 10.472 ( 2.765 -4.839 -3.606) 6.638 10.658 ( 7.171 -4.406 1.168) 8.497 10.966 ( 11.684 -6.200 -4.936) 14.118 11.235 ( 8.839 -1.550 -5.681) 10.621 11.446 ( 6.546 7.961 2.418) 10.586 11.579 ( 5.827 3.703 -5.209) 8.649 11.695 ( -15.347 3.924 4.300) 16.414 11.893 ( 4.383 -2.648 -4.374) 6.735 12.166 ( -1.245 0.242 4.620) 4.791 12.574 ( -2.692 -0.841 0.764) 2.922 13.175 ( -3.224 8.735 0.871) 9.352 14.171 ( -2.126 -1.556 -1.682) 3.126 15.788 ( -16.249 -2.895 0.034) 16.505 15.914 ( 8.324 -0.786 7.955) 11.541 16.267 ( 12.430 2.140 -4.112) 13.266 16.747 ( 3.581 -6.882 3.502) 8.512 ======================= Grid point 217 (93/282) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -16.911 8.792 4.374) 19.555 1.998 ( -22.952 9.719 4.403) 25.310 2.782 ( -3.727 -3.521 0.981) 5.220 2.916 ( -2.561 -0.411 -10.561) 10.875 3.020 ( -10.118 0.969 3.674) 10.808 3.248 ( -4.297 2.071 9.223) 10.383 3.378 ( -13.651 8.396 3.894) 16.493 3.647 ( 2.724 1.324 -5.443) 6.229 3.860 ( -0.355 -7.407 -3.829) 8.346 4.177 ( 6.150 -14.661 -0.382) 15.903 4.649 ( 4.219 9.026 -10.603) 14.550 4.742 ( -1.712 -9.166 7.867) 12.200 4.990 ( 2.355 7.097 8.706) 11.477 5.143 ( -1.891 1.928 -3.422) 4.359 5.402 ( 1.484 -0.221 7.006) 7.165 5.822 ( -1.323 -1.429 -9.699) 9.892 6.378 ( -2.824 4.892 2.303) 6.100 6.611 ( -4.461 1.177 -1.088) 4.740 6.868 ( 5.435 -2.476 -3.844) 7.103 7.193 ( -0.655 -2.190 -0.058) 2.286 7.389 ( 9.294 5.995 -0.594) 11.076 7.575 ( -0.120 -3.141 3.070) 4.394 7.692 ( 1.433 -1.362 1.030) 2.229 7.737 ( 2.419 -0.641 -1.872) 3.125 8.859 ( -8.576 4.718 0.024) 9.788 8.910 ( -9.816 2.209 -3.703) 10.722 8.986 ( -1.752 5.005 -4.124) 6.718 9.188 ( 5.806 12.608 0.662) 13.896 9.459 ( -2.826 1.263 17.644) 17.914 9.804 ( -1.459 -10.320 6.543) 12.306 10.107 ( 1.816 -5.870 -13.392) 14.734 10.384 ( -0.433 -5.637 -3.847) 6.838 10.580 ( 6.994 -4.064 -2.223) 8.389 10.829 ( 5.727 -4.831 2.936) 8.047 11.142 ( 7.135 -3.474 -4.797) 9.273 11.331 ( 2.971 -3.161 0.529) 4.370 11.424 ( -7.806 8.446 0.044) 11.501 11.581 ( 12.023 5.304 4.018) 13.742 11.633 ( 7.538 1.289 0.531) 7.666 11.894 ( -2.702 5.612 -0.198) 6.232 12.240 ( 6.282 -0.336 4.689) 7.846 12.575 ( -1.488 -6.170 -0.710) 6.386 13.040 ( -6.054 6.050 -1.411) 8.674 14.096 ( -4.224 -0.996 -5.184) 6.760 15.538 ( -18.644 -2.341 1.390) 18.842 16.124 ( 7.393 -1.376 6.548) 9.971 16.394 ( 11.345 5.001 -1.390) 12.476 16.902 ( 5.949 -4.021 2.916) 7.750 ======================= Grid point 218 (94/282) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -26.343 11.160 -1.169) 28.633 1.616 ( -22.256 9.527 8.314) 25.597 2.651 ( -24.505 12.661 12.462) 30.267 2.784 ( -8.270 1.606 -3.422) 9.092 2.844 ( -3.724 -0.639 0.179) 3.783 3.217 ( -8.359 2.717 7.924) 11.834 3.250 ( -4.740 2.216 9.168) 10.556 3.616 ( 2.621 3.604 -5.123) 6.790 3.877 ( 1.381 -12.326 -9.890) 15.863 4.380 ( 6.518 -10.915 -0.854) 12.742 4.514 ( 3.769 8.724 -14.222) 17.105 4.836 ( -1.559 -4.254 4.456) 6.354 5.046 ( 0.864 4.298 4.862) 6.546 5.107 ( -2.585 -5.261 3.640) 6.900 5.417 ( -7.707 -0.613 4.338) 8.865 5.755 ( 3.684 -0.027 -7.298) 8.175 6.293 ( -6.253 6.594 2.814) 9.513 6.428 ( -5.906 8.909 -4.209) 11.488 7.044 ( 9.395 -11.963 -1.039) 15.247 7.240 ( 1.498 -4.272 3.514) 5.731 7.498 ( 9.790 5.159 1.085) 11.119 7.633 ( -0.313 -5.243 2.474) 5.806 7.741 ( 2.039 0.097 2.517) 3.241 7.792 ( 5.778 0.281 -1.933) 6.099 8.649 ( -9.682 -3.994 -6.545) 12.350 8.786 ( -9.550 -0.180 3.833) 10.292 8.875 ( -3.712 4.632 -0.860) 5.998 9.135 ( 3.971 11.030 -4.521) 12.565 9.551 ( 2.676 8.656 8.861) 12.673 9.860 ( 2.196 -0.402 -8.664) 8.947 10.168 ( -0.095 -15.099 6.551) 16.459 10.379 ( -2.181 -9.044 -3.857) 10.071 10.693 ( 8.191 0.236 -2.173) 8.477 10.879 ( -8.735 -1.307 2.190) 9.100 11.072 ( -2.467 6.225 -6.547) 9.365 11.328 ( 6.142 -3.264 -0.914) 7.015 11.433 ( 4.732 8.751 -0.732) 9.975 11.689 ( 5.508 11.261 4.322) 13.260 11.839 ( 2.926 -1.731 1.848) 3.869 11.918 ( 17.833 -2.844 6.923) 19.340 12.406 ( 5.384 -2.999 5.535) 8.283 12.593 ( -1.273 -6.661 -1.454) 6.936 12.883 ( -6.792 3.936 -2.274) 8.173 13.967 ( -4.514 -0.524 -8.021) 9.219 15.295 ( -17.602 -1.321 3.001) 17.905 16.285 ( 4.557 -3.747 3.959) 7.105 16.505 ( 9.123 5.949 0.265) 10.895 17.007 ( 4.963 1.942 -2.633) 5.944 ======================= Grid point 219 (95/282) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -24.454 11.871 2.745) 27.322 1.310 ( -23.817 8.487 17.163) 30.559 2.188 ( -36.562 22.167 26.331) 50.214 2.682 ( -3.433 -0.120 -0.637) 3.493 2.844 ( -0.806 -1.999 2.512) 3.310 3.177 ( -6.317 0.319 7.593) 9.882 3.275 ( -3.186 1.411 12.480) 12.958 3.577 ( 2.070 3.868 -4.083) 5.993 3.890 ( 2.099 -13.812 -13.665) 19.543 4.312 ( 2.638 11.284 -16.289) 19.990 4.542 ( 4.809 -8.256 -4.610) 10.608 4.855 ( -0.261 -1.272 0.785) 1.517 5.078 ( 0.924 0.557 2.111) 2.370 5.170 ( -4.160 -7.832 5.979) 10.695 5.327 ( -6.339 0.116 3.397) 7.193 5.761 ( 4.647 -0.345 -6.534) 8.026 6.124 ( -9.557 7.709 -0.082) 12.279 6.279 ( -1.550 6.559 -2.953) 7.358 7.278 ( 8.495 -13.171 0.602) 15.684 7.377 ( 4.722 -7.582 4.819) 10.149 7.613 ( 8.438 5.862 1.840) 10.438 7.697 ( 0.022 -5.487 2.548) 6.050 7.784 ( 1.797 2.563 1.562) 3.499 7.850 ( 3.217 1.227 0.701) 3.514 8.529 ( -5.970 -6.258 -1.383) 8.759 8.673 ( -8.966 -0.626 1.549) 9.120 8.809 ( -3.281 1.402 3.613) 5.078 9.091 ( 7.385 8.001 -6.082) 12.472 9.615 ( 5.549 5.700 3.935) 8.875 9.762 ( 0.078 1.772 -11.805) 11.937 10.230 ( -2.572 -11.847 -13.197) 17.921 10.476 ( -3.781 -7.000 13.423) 15.604 10.703 ( -8.640 3.071 5.819) 10.860 10.726 ( -1.944 7.541 -3.819) 8.674 10.972 ( 9.296 2.865 -13.014) 16.247 11.421 ( 0.124 3.821 5.136) 6.403 11.498 ( 8.946 -4.727 1.972) 10.309 11.760 ( 9.139 10.447 5.509) 14.934 11.958 ( 4.339 -10.124 -3.759) 11.638 12.254 ( 12.858 0.028 5.623) 14.034 12.520 ( 2.481 -2.458 0.687) 3.560 12.620 ( 0.205 -3.576 1.246) 3.793 12.755 ( -4.424 2.985 2.452) 5.873 13.823 ( -2.753 -0.059 -9.659) 10.044 15.093 ( -14.339 -0.531 4.918) 15.169 16.395 ( -0.432 -8.847 0.301) 8.863 16.576 ( 4.678 4.419 0.239) 6.439 16.910 ( -1.099 12.756 -14.131) 19.069 ======================= Grid point 220 (96/282) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -4.819 6.867 23.034) 24.514 1.148 ( -17.020 4.994 26.030) 31.499 1.828 ( -30.016 15.535 38.026) 50.875 2.662 ( -0.309 0.253 2.799) 2.827 2.895 ( 1.043 -0.897 5.685) 5.849 3.161 ( -5.326 -0.090 7.704) 9.366 3.371 ( 0.741 -0.650 8.472) 8.529 3.544 ( 1.231 2.213 -2.458) 3.529 3.883 ( 2.253 -12.655 -15.332) 20.008 4.092 ( 2.939 11.755 -17.936) 21.645 4.568 ( 0.748 -2.587 -6.551) 7.082 4.897 ( 3.339 -4.257 -2.621) 6.012 5.061 ( -0.952 1.896 -3.943) 4.478 5.217 ( -2.534 -5.943 4.956) 8.143 5.314 ( -3.170 -0.028 5.482) 6.333 5.761 ( 4.476 -1.004 -8.807) 9.930 5.931 ( -6.998 5.371 -0.820) 8.859 6.195 ( -0.523 3.894 -3.012) 4.951 7.493 ( 5.599 -12.263 -0.847) 13.507 7.556 ( 5.346 -8.842 0.526) 10.346 7.684 ( 6.421 8.422 0.058) 10.590 7.733 ( -0.132 2.193 -0.090) 2.198 7.816 ( 0.288 -3.394 3.980) 5.238 7.883 ( 0.290 2.982 4.060) 5.046 8.515 ( -2.325 -3.718 1.547) 4.649 8.568 ( -5.663 1.156 0.912) 5.851 8.820 ( -2.397 -1.761 6.113) 6.798 9.117 ( 8.407 2.871 -5.734) 10.573 9.623 ( -2.038 1.702 -9.847) 10.198 9.697 ( 3.288 0.123 -0.079) 3.292 10.105 ( -4.273 -8.142 -15.721) 18.213 10.391 ( -5.384 8.344 -4.927) 11.085 10.579 ( -3.161 3.219 -2.824) 5.322 10.787 ( 0.184 -1.495 14.011) 14.092 11.039 ( 10.820 -0.169 -6.932) 12.852 11.466 ( 1.903 0.820 2.510) 3.255 11.608 ( -4.164 -2.660 0.842) 5.012 11.941 ( 16.632 1.861 2.702) 16.952 11.976 ( -4.087 -9.891 -11.233) 15.515 12.281 ( -5.992 5.817 -3.860) 9.200 12.595 ( 7.772 -1.057 -1.523) 7.991 12.720 ( 2.268 -2.908 5.363) 6.509 12.760 ( -1.936 1.887 8.758) 9.166 13.717 ( 1.979 0.221 -8.913) 9.133 14.977 ( -8.324 -0.266 6.663) 10.666 16.202 ( -24.574 -0.503 -16.113) 29.390 16.594 ( 2.200 0.036 0.941) 2.393 16.683 ( 2.493 11.926 -1.498) 12.275 ======================= Grid point 222 (97/282) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 7.485 0.000 17.464) 19.000 1.983 ( 2.409 0.000 27.607) 27.712 2.616 ( 10.373 0.000 20.410) 22.895 3.014 ( 6.781 0.000 -0.479) 6.798 3.266 ( -0.159 -0.000 8.377) 8.379 3.285 ( -3.523 -0.000 -1.681) 3.904 3.333 ( 6.235 0.000 0.781) 6.284 3.570 ( 1.145 0.000 -10.078) 10.142 3.660 ( 7.936 0.000 9.491) 12.371 3.789 ( 1.282 0.000 -7.776) 7.880 4.236 ( -4.194 -0.000 -11.565) 12.302 4.792 ( 2.224 0.000 -8.549) 8.833 4.948 ( 6.084 0.000 -5.892) 8.469 5.191 ( -4.489 -0.000 3.965) 5.989 5.369 ( -0.935 -0.000 4.023) 4.130 5.676 ( 12.084 0.000 -12.701) 17.531 6.013 ( 6.984 0.000 -1.826) 7.219 6.175 ( 5.976 0.000 -4.428) 7.437 7.422 ( -2.153 -0.000 -5.013) 5.456 7.554 ( -5.268 -0.000 -2.701) 5.920 7.613 ( -4.015 -0.000 1.352) 4.236 7.636 ( -2.375 -0.000 -3.280) 4.050 7.920 ( -3.773 -0.000 4.552) 5.913 7.977 ( -3.405 -0.000 3.663) 5.001 8.560 ( 5.412 0.000 1.434) 5.599 8.623 ( 2.483 0.000 4.954) 5.541 8.980 ( 0.312 0.000 9.260) 9.265 9.211 ( -1.444 -0.000 4.614) 4.834 9.376 ( -16.231 -0.000 22.510) 27.752 9.436 ( 0.881 0.000 1.529) 1.765 9.987 ( 13.123 0.000 -6.576) 14.679 10.102 ( 2.040 0.000 -1.148) 2.341 10.609 ( -0.123 -0.000 2.972) 2.974 10.910 ( -10.600 -0.000 -10.431) 14.872 11.055 ( 2.739 0.000 -11.738) 12.053 11.280 ( 2.557 0.000 -3.032) 3.966 11.282 ( -4.842 -0.000 -19.555) 20.146 11.493 ( 6.006 0.000 3.377) 6.890 11.702 ( -0.914 -0.000 -5.508) 5.583 12.386 ( -7.551 -0.000 -1.150) 7.638 12.402 ( -10.764 -0.000 -2.728) 11.104 12.697 ( -0.748 -0.000 4.958) 5.014 13.080 ( 7.692 0.000 9.051) 11.878 13.974 ( 6.310 0.000 1.407) 6.465 15.210 ( 8.258 0.000 4.616) 9.461 15.826 ( 15.643 0.000 -14.196) 21.124 16.434 ( -10.837 -0.000 0.209) 10.839 16.608 ( -5.546 -0.000 2.014) 5.900 ======================= Grid point 223 (98/282) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 6.552 1.024 12.570) 14.212 2.263 ( -1.771 -2.621 25.418) 25.614 2.841 ( 0.915 -0.270 5.695) 5.774 3.049 ( -0.399 -1.533 -2.294) 2.788 3.237 ( -1.078 0.661 0.853) 1.525 3.330 ( 3.529 3.293 -1.262) 4.989 3.420 ( 4.672 -1.926 -0.609) 5.090 3.530 ( 1.734 -2.634 -4.343) 5.368 3.739 ( 0.997 -1.359 -3.386) 3.782 3.956 ( 9.408 -1.143 13.334) 16.359 4.062 ( -3.671 -2.401 -9.768) 10.707 4.777 ( 5.601 0.584 -5.761) 8.056 4.983 ( 6.949 1.396 -5.804) 9.161 5.175 ( 0.017 8.056 5.990) 10.039 5.389 ( -1.227 -2.094 2.307) 3.349 5.765 ( 14.688 -0.310 -12.862) 19.526 6.100 ( 5.976 -1.897 -1.542) 6.456 6.248 ( 6.945 -3.502 -4.238) 8.857 7.321 ( -4.174 2.595 -2.934) 5.724 7.440 ( -3.939 2.853 -2.570) 5.501 7.534 ( -6.552 -2.500 -2.095) 7.319 7.591 ( -2.775 -0.150 -0.176) 2.785 7.876 ( -4.784 2.956 2.655) 6.218 7.931 ( -5.743 0.701 1.694) 6.028 8.699 ( 7.543 2.897 7.828) 11.250 8.734 ( 5.756 1.992 8.596) 10.535 9.109 ( 1.147 0.634 11.154) 11.231 9.227 ( -6.573 -5.560 9.742) 13.001 9.422 ( -6.552 -3.280 16.409) 17.971 9.482 ( 3.409 -1.577 1.273) 3.966 10.129 ( 9.727 0.654 -4.404) 10.697 10.172 ( 6.773 -5.020 -0.638) 8.455 10.458 ( -17.211 5.144 -10.214) 20.664 10.713 ( 2.127 1.892 -2.287) 3.652 11.015 ( -1.312 -2.190 -21.372) 21.524 11.021 ( 3.187 -2.628 -10.075) 10.889 11.359 ( 6.029 0.782 2.379) 6.529 11.582 ( 2.145 0.186 -0.918) 2.341 11.701 ( 9.260 -1.280 -7.451) 11.954 12.198 ( -10.131 3.006 -0.566) 10.582 12.240 ( -13.099 -1.365 1.025) 13.210 12.710 ( -1.610 0.640 1.708) 2.432 13.269 ( 6.016 2.967 8.830) 11.089 14.071 ( 3.843 -0.847 1.752) 4.308 15.406 ( 11.441 0.144 4.940) 12.462 15.944 ( 16.982 -1.893 -14.427) 22.363 16.246 ( -14.280 -0.354 0.845) 14.310 16.552 ( -5.464 -2.810 2.222) 6.533 ======================= Grid point 224 (99/282) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 3.602 2.838 8.125) 9.330 2.438 ( -6.778 1.499 21.122) 22.233 2.809 ( -4.724 1.138 -1.548) 5.100 3.022 ( -3.755 -5.347 -0.749) 6.577 3.242 ( -1.391 -0.011 2.621) 2.967 3.279 ( 1.992 4.003 -11.059) 11.929 3.476 ( -0.833 -2.704 2.677) 3.895 3.571 ( 4.192 -6.313 -3.648) 8.410 3.739 ( 1.416 -0.064 -3.183) 3.484 3.926 ( -3.174 -3.438 -4.193) 6.283 4.260 ( 5.873 -5.639 11.262) 13.897 4.829 ( 7.748 3.518 -2.753) 8.944 5.037 ( 7.283 1.822 -2.751) 7.995 5.176 ( 1.653 12.112 7.114) 14.143 5.414 ( 1.646 1.030 0.495) 2.004 5.840 ( 9.588 -2.694 -12.725) 16.159 6.208 ( 5.778 -5.777 -0.661) 8.197 6.342 ( 6.184 -3.845 -3.237) 7.969 7.201 ( -6.393 2.205 -1.452) 6.916 7.358 ( -0.128 4.175 -2.495) 4.866 7.421 ( -4.823 -0.529 -3.727) 6.118 7.548 ( -3.400 0.362 1.778) 3.854 7.788 ( -5.359 3.726 0.804) 6.577 7.836 ( -6.749 0.559 0.223) 6.776 8.886 ( 3.978 5.387 20.672) 21.729 8.949 ( 14.200 1.828 3.502) 14.739 9.123 ( -7.375 1.629 6.941) 10.257 9.320 ( -5.115 1.067 16.015) 16.846 9.483 ( -4.714 -3.368 9.108) 10.794 9.628 ( 10.097 -6.358 -4.827) 12.871 10.023 ( -15.722 0.157 -11.086) 19.238 10.216 ( 3.800 -1.224 -0.629) 4.042 10.309 ( 7.010 -6.452 -3.979) 10.325 10.713 ( 0.535 3.864 -8.361) 9.227 10.819 ( 0.204 -5.123 -7.948) 9.458 11.088 ( 12.204 -2.116 -9.067) 15.351 11.474 ( 5.943 3.406 4.921) 8.434 11.574 ( 5.908 -1.410 -11.209) 12.749 11.792 ( 8.071 2.266 -4.388) 9.462 12.037 ( -12.740 1.160 -0.127) 12.793 12.070 ( -9.545 -3.162 5.648) 11.533 12.677 ( -2.796 2.701 1.332) 4.109 13.365 ( 1.357 6.722 5.921) 9.060 14.133 ( 1.184 -1.990 0.517) 2.373 15.648 ( 12.374 0.035 6.657) 14.051 15.991 ( -10.649 -2.317 -4.544) 11.808 16.125 ( 11.253 -0.428 -5.507) 12.536 16.546 ( -1.929 -5.205 2.555) 6.111 ======================= Grid point 225 (100/282) ======================= q-point: (-0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -3.018 7.507 2.865) 8.583 2.427 ( -14.334 9.177 15.974) 23.341 2.724 ( -2.826 -2.860 -1.774) 4.395 2.997 ( -4.396 -6.455 -1.930) 8.045 3.116 ( -2.662 1.052 -13.244) 13.550 3.258 ( -2.469 0.951 5.775) 6.352 3.498 ( -2.955 -2.968 2.961) 5.129 3.671 ( 3.383 -4.010 -2.320) 5.736 3.729 ( 4.087 -3.813 -3.164) 6.423 3.901 ( -3.066 -4.625 0.077) 5.550 4.448 ( 0.414 -7.726 7.492) 10.770 4.868 ( 6.467 8.313 -3.845) 11.212 5.100 ( 3.122 6.969 4.406) 8.816 5.191 ( 2.282 4.202 3.173) 5.739 5.417 ( 2.749 7.160 0.112) 7.670 5.846 ( 2.500 -4.505 -10.415) 11.620 6.343 ( 3.942 -9.604 0.249) 10.384 6.424 ( 4.191 -2.055 -1.076) 4.790 7.069 ( -6.005 3.745 -1.211) 7.180 7.255 ( -4.460 2.107 -4.622) 6.760 7.405 ( 6.820 3.950 -1.905) 8.108 7.525 ( -2.667 0.032 3.469) 4.376 7.694 ( -3.649 1.621 -0.041) 3.993 7.741 ( -4.419 -0.966 -1.216) 4.684 9.018 ( -14.957 -1.435 11.472) 18.904 9.117 ( 5.089 5.278 1.202) 7.430 9.169 ( 11.335 5.724 13.977) 18.884 9.332 ( -6.067 6.102 10.129) 13.290 9.393 ( -6.018 7.360 -11.841) 15.186 9.608 ( -4.071 -3.489 6.261) 8.243 10.015 ( 6.490 -13.989 -5.639) 16.420 10.272 ( 4.652 -4.131 -3.840) 7.311 10.402 ( 2.488 -5.514 -2.910) 6.712 10.599 ( 3.908 -3.855 -9.259) 10.764 10.916 ( 9.351 -0.735 2.339) 9.667 11.204 ( 9.580 -1.847 -6.509) 11.728 11.533 ( 7.327 2.777 -7.687) 10.977 11.620 ( 1.070 2.537 7.280) 7.784 11.784 ( -3.665 6.256 -2.433) 7.647 11.854 ( -1.012 -1.859 -3.982) 4.510 12.104 ( -1.001 -6.612 6.265) 9.164 12.617 ( -2.704 4.715 1.148) 5.555 13.318 ( -4.510 9.182 2.214) 10.467 14.138 ( -1.971 -2.592 -2.320) 3.999 15.748 ( -16.578 -2.102 -0.456) 16.717 15.902 ( 8.896 -0.696 8.310) 12.193 16.297 ( 16.101 1.673 -4.855) 16.900 16.636 ( 4.236 -6.971 2.842) 8.638 ======================= Grid point 226 (101/282) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -10.876 12.564 3.045) 16.894 2.173 ( -19.197 12.838 3.679) 23.385 2.723 ( -2.824 -4.329 1.764) 5.462 2.908 ( -2.737 -0.690 -10.697) 11.063 3.001 ( -5.849 -3.826 2.126) 7.306 3.267 ( -4.528 -0.143 7.269) 8.565 3.462 ( -8.618 2.390 4.660) 10.085 3.651 ( 2.950 1.549 -6.674) 7.459 3.822 ( -0.050 -0.134 -1.645) 1.651 3.954 ( 4.094 -13.326 2.672) 14.194 4.566 ( -1.538 -10.388 5.532) 11.869 4.807 ( 1.659 9.890 -6.271) 11.828 5.122 ( 1.590 9.350 7.023) 11.801 5.184 ( -1.771 2.358 -2.783) 4.055 5.425 ( 1.462 3.695 3.458) 5.268 5.789 ( -0.684 -2.693 -8.150) 8.611 6.428 ( -1.657 -0.965 2.991) 3.553 6.512 ( 2.866 -8.670 -0.152) 9.133 6.929 ( -3.171 6.683 -4.081) 8.448 7.163 ( -2.127 -1.346 -1.700) 3.038 7.468 ( 6.161 4.201 -0.249) 7.461 7.532 ( -2.250 -2.108 3.454) 4.630 7.674 ( 0.942 -0.965 0.837) 1.587 7.721 ( 3.935 -1.369 -2.874) 5.062 8.868 ( -16.652 -1.513 1.348) 16.775 8.931 ( -14.140 0.145 -5.354) 15.120 9.121 ( -1.045 10.406 -5.222) 11.690 9.338 ( 1.300 5.894 -0.897) 6.102 9.530 ( 10.926 4.292 22.763) 25.611 9.683 ( -0.361 -0.469 9.167) 9.186 10.026 ( 4.183 -4.748 -18.714) 19.755 10.301 ( 0.745 -4.660 -7.664) 9.001 10.512 ( 8.892 -5.253 0.079) 10.328 10.720 ( 7.001 -9.039 0.275) 11.436 11.114 ( 8.480 -0.692 3.001) 9.022 11.266 ( 1.535 -3.141 -2.433) 4.259 11.550 ( -4.614 7.141 2.318) 8.812 11.573 ( 6.295 -1.917 -2.370) 6.994 11.755 ( 9.136 9.263 1.269) 13.072 11.910 ( 3.496 -2.789 -0.947) 4.571 12.218 ( 2.695 -4.267 5.451) 7.429 12.551 ( -2.282 3.798 0.269) 4.439 13.151 ( -8.718 8.276 -0.371) 12.026 14.068 ( -4.399 -2.678 -5.675) 7.663 15.502 ( -17.796 -2.212 1.255) 17.977 16.102 ( 5.453 -1.481 7.302) 9.233 16.471 ( 13.900 4.934 -1.611) 14.837 16.822 ( 9.220 -6.113 2.159) 11.271 ======================= Grid point 227 (102/282) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -21.133 15.872 -2.447) 26.542 1.815 ( -16.099 15.877 6.916) 23.645 2.714 ( -4.688 -2.100 2.426) 5.681 2.790 ( -2.497 -1.302 -5.242) 5.950 2.929 ( -13.269 6.443 9.355) 17.467 3.256 ( -4.752 -0.914 1.328) 5.018 3.304 ( -12.795 7.982 13.314) 20.117 3.634 ( 3.262 -0.951 -6.518) 7.351 3.777 ( 0.929 0.227 -6.036) 6.111 4.181 ( 6.566 -13.621 2.199) 15.280 4.639 ( 2.325 3.200 -10.385) 11.113 4.710 ( -3.674 -6.311 5.823) 9.340 5.075 ( -4.595 1.549 -3.136) 5.775 5.152 ( 1.698 7.519 6.037) 9.791 5.410 ( -5.840 0.182 1.831) 6.123 5.747 ( 2.992 -0.888 -5.999) 6.763 6.391 ( -5.811 4.651 4.125) 8.510 6.530 ( -4.141 2.254 -2.143) 5.179 6.889 ( 5.771 -5.913 -3.384) 8.929 7.171 ( -0.133 -4.472 1.595) 4.750 7.522 ( -1.358 -3.421 3.811) 5.298 7.572 ( 4.121 -0.925 1.279) 4.413 7.737 ( 3.292 -0.373 2.962) 4.444 7.800 ( 8.921 0.755 -3.973) 9.795 8.585 ( -13.448 -3.954 -7.280) 15.795 8.758 ( -12.199 -3.212 2.362) 12.834 8.976 ( -4.395 7.762 -0.826) 8.958 9.278 ( 2.561 7.373 -5.627) 9.622 9.731 ( 2.306 11.627 7.676) 14.122 9.828 ( 5.257 -2.444 -1.612) 6.017 10.001 ( 6.875 -4.909 1.422) 8.567 10.259 ( -0.152 -6.340 -8.835) 10.876 10.673 ( 9.721 -2.517 -2.294) 10.300 10.844 ( -2.132 -3.909 0.452) 4.475 11.146 ( -2.498 3.123 1.175) 4.168 11.256 ( 0.790 -4.565 -1.722) 4.942 11.546 ( 5.535 5.123 -2.979) 8.109 11.786 ( 9.791 -3.895 7.194) 12.759 11.862 ( 11.528 10.159 1.603) 15.449 11.928 ( 4.999 2.437 0.105) 5.563 12.361 ( 3.682 -3.490 6.766) 8.456 12.510 ( -1.299 -2.071 -0.805) 2.574 12.951 ( -9.085 5.140 -0.671) 10.459 13.946 ( -4.760 -2.426 -8.195) 9.783 15.272 ( -16.758 -1.456 3.173) 17.118 16.231 ( 1.562 -3.269 4.514) 5.788 16.602 ( 9.632 6.499 0.094) 11.620 17.012 ( 10.174 -1.360 -1.782) 10.418 ======================= Grid point 228 (103/282) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -18.795 18.680 0.542) 26.504 1.522 ( -17.214 18.238 13.685) 28.570 2.586 ( -24.219 25.952 20.605) 41.044 2.679 ( -3.404 -0.447 -0.433) 3.461 2.803 ( -1.815 -2.660 2.806) 4.271 3.182 ( -6.270 -0.044 5.186) 8.137 3.287 ( -5.235 -0.275 11.021) 12.204 3.625 ( 2.973 -0.082 -6.381) 7.040 3.739 ( 2.108 -2.349 -8.126) 8.717 4.372 ( 4.139 -10.351 -1.297) 11.223 4.477 ( 2.777 7.341 -15.841) 17.679 4.800 ( -1.968 -7.366 3.649) 8.453 5.001 ( -4.928 -5.180 2.693) 7.640 5.167 ( 0.330 4.192 1.452) 4.448 5.322 ( -5.731 -0.111 1.826) 6.016 5.752 ( 4.079 -0.864 -6.976) 8.127 6.251 ( -9.265 7.544 1.044) 11.993 6.404 ( -1.568 8.928 -2.386) 9.374 7.065 ( 7.262 -14.030 -0.128) 15.798 7.254 ( 1.490 -7.846 3.423) 8.689 7.568 ( -3.109 -7.551 4.795) 9.470 7.686 ( 6.514 0.115 3.061) 7.198 7.815 ( 2.144 0.726 3.846) 4.463 7.874 ( 7.195 2.779 -3.877) 8.633 8.422 ( -6.875 -7.078 -2.396) 10.154 8.638 ( -9.649 -3.813 1.729) 10.518 8.866 ( -3.635 5.414 1.441) 6.679 9.213 ( 4.632 7.111 -6.865) 10.916 9.719 ( 2.014 6.570 -0.969) 6.940 9.787 ( 0.407 1.323 -8.442) 8.554 10.090 ( 0.748 -5.591 -13.477) 14.610 10.371 ( 4.576 -4.329 15.356) 16.598 10.734 ( -8.679 2.477 2.206) 9.292 10.807 ( 8.032 0.035 -2.350) 8.368 11.064 ( 1.803 8.504 -10.557) 13.676 11.356 ( 4.619 -9.751 -0.366) 10.796 11.540 ( 2.226 5.067 -0.103) 5.536 11.801 ( -3.523 -0.725 0.335) 3.613 11.974 ( 10.775 10.443 1.825) 15.116 12.218 ( 14.187 -4.636 5.466) 15.895 12.481 ( 2.629 -1.834 2.456) 4.038 12.543 ( 1.477 -6.104 1.848) 6.546 12.806 ( -5.994 3.432 2.816) 7.459 13.813 ( -2.810 -1.475 -9.325) 9.850 15.084 ( -13.947 -0.546 5.194) 14.893 16.284 ( -3.267 -5.718 0.793) 6.633 16.661 ( 4.529 6.299 -0.062) 7.758 17.068 ( 6.402 7.273 -10.291) 14.135 ======================= Grid point 229 (104/282) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -5.089 16.075 16.595) 23.658 1.322 ( -12.206 17.227 21.458) 30.103 2.220 ( -23.127 31.821 29.754) 49.322 2.668 ( -0.220 0.375 3.279) 3.308 2.867 ( 1.289 -2.714 5.988) 6.699 3.157 ( -5.270 -0.725 6.636) 8.505 3.343 ( -2.237 -3.603 7.632) 8.731 3.596 ( 2.258 2.823 -5.380) 6.482 3.720 ( 2.500 -5.598 -9.008) 10.896 4.255 ( 1.597 8.932 -17.359) 19.588 4.487 ( 2.553 -7.505 -5.452) 9.621 4.824 ( -0.324 -4.443 -1.486) 4.696 5.052 ( -2.266 -7.284 2.897) 8.160 5.118 ( -3.239 -1.410 -0.050) 3.532 5.308 ( -0.820 -0.163 3.493) 3.592 5.738 ( 3.741 -1.779 -9.981) 10.806 6.055 ( -6.802 9.122 -0.845) 11.410 6.299 ( -0.247 8.869 -2.584) 9.241 7.284 ( 5.431 -14.591 0.608) 15.581 7.388 ( 1.834 -11.434 2.375) 11.821 7.642 ( -2.065 -8.610 5.601) 10.477 7.795 ( 3.803 2.294 2.936) 5.324 7.855 ( 2.890 4.848 0.445) 5.661 7.901 ( 1.786 1.133 -0.151) 2.120 8.428 ( -0.639 -7.275 1.825) 7.527 8.559 ( -5.862 -2.787 1.160) 6.593 8.816 ( -2.708 2.338 4.700) 5.907 9.179 ( 5.384 4.451 -6.602) 9.612 9.663 ( -0.076 2.765 -10.436) 10.796 9.708 ( -1.919 1.752 1.902) 3.220 9.982 ( -0.544 -5.770 -15.593) 16.636 10.490 ( -5.657 2.970 5.729) 8.582 10.676 ( -0.720 7.153 -4.986) 8.750 10.804 ( 2.320 5.590 4.690) 7.657 11.024 ( 10.592 -1.759 -7.956) 13.363 11.459 ( 0.976 -4.283 -0.666) 4.443 11.561 ( -0.380 -1.955 0.037) 1.992 11.769 ( -3.143 -8.649 -5.011) 10.478 12.053 ( 8.912 7.718 0.812) 11.817 12.332 ( -4.704 0.252 -1.136) 4.846 12.567 ( 6.960 -2.266 -1.228) 7.422 12.668 ( 3.415 -3.666 3.161) 5.924 12.786 ( -3.044 1.422 9.326) 9.913 13.719 ( 2.010 -0.121 -8.330) 8.570 14.972 ( -8.514 -0.320 6.858) 10.937 16.184 ( -11.583 -1.755 -7.563) 13.945 16.646 ( 0.668 5.450 -1.056) 5.591 16.910 ( 1.032 15.024 -9.948) 18.048 ======================= Grid point 230 (105/282) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 8.012 5.336 26.140) 27.856 1.339 ( -0.067 12.392 25.451) 28.308 2.052 ( -11.347 24.842 36.977) 45.969 2.734 ( 4.176 0.576 4.746) 6.347 2.998 ( 4.252 -1.202 8.883) 9.921 3.163 ( -3.769 -0.950 7.442) 8.396 3.387 ( -2.316 -4.755 0.463) 5.309 3.553 ( 1.473 2.744 -4.081) 5.133 3.718 ( 2.243 -5.838 -8.802) 10.798 4.042 ( 2.966 9.223 -17.854) 20.313 4.480 ( -0.072 -3.130 -7.512) 8.138 4.853 ( 1.299 -6.816 -3.952) 7.985 4.993 ( -1.785 1.175 -6.215) 6.572 5.173 ( -2.905 -8.949 4.875) 10.597 5.330 ( -0.332 1.185 2.857) 3.111 5.700 ( 3.457 -2.496 -12.090) 12.820 5.925 ( -0.205 7.290 -0.315) 7.300 6.211 ( 1.286 7.365 -3.819) 8.396 7.432 ( 0.979 -11.825 -1.679) 11.983 7.513 ( 0.699 -11.662 -0.027) 11.683 7.735 ( 0.028 -3.365 4.024) 5.246 7.815 ( 0.655 3.678 -0.657) 3.793 7.820 ( -0.033 3.600 -1.185) 3.790 7.942 ( -0.349 0.023 5.519) 5.530 8.484 ( 0.297 -2.700 0.222) 2.725 8.527 ( -1.501 -1.465 0.943) 2.300 8.844 ( -1.619 -0.653 8.188) 8.373 9.173 ( 3.587 0.684 -4.738) 5.982 9.528 ( -3.258 3.137 -5.246) 6.927 9.659 ( -9.243 2.609 4.250) 10.503 9.885 ( 2.122 -4.816 -11.907) 13.018 10.342 ( -4.579 12.319 -5.930) 14.419 10.552 ( -0.612 1.846 -1.457) 2.430 10.911 ( 1.637 -0.276 7.146) 7.336 11.137 ( 7.925 -0.230 -2.145) 8.214 11.417 ( -3.894 -2.260 -8.066) 9.237 11.521 ( -2.663 -2.505 -3.690) 5.194 11.676 ( -6.255 -5.921 -10.700) 13.736 12.135 ( -11.474 5.923 -5.222) 13.928 12.225 ( 14.766 0.551 0.644) 14.790 12.652 ( -5.863 -3.630 6.902) 9.756 12.740 ( 4.845 -2.097 0.261) 5.286 12.778 ( -7.999 1.016 5.539) 9.783 13.739 ( 8.665 0.422 -4.327) 9.694 14.969 ( -1.573 -0.601 7.204) 7.398 15.883 ( -4.935 9.906 -10.483) 15.244 16.609 ( -1.998 0.873 0.803) 2.324 16.765 ( -0.955 9.607 -1.361) 9.750 ======================= Grid point 233 (106/282) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 5.717 0.000 6.886) 8.949 2.450 ( -4.793 -0.000 23.579) 24.062 2.819 ( -6.192 -0.000 0.634) 6.225 2.974 ( -3.857 -0.000 -3.600) 5.276 3.241 ( -1.302 -0.000 2.836) 3.120 3.320 ( -1.116 -0.000 -9.771) 9.835 3.452 ( 6.580 0.000 -7.065) 9.654 3.515 ( -0.860 -0.000 2.411) 2.559 3.741 ( 1.683 0.000 -0.196) 1.694 3.897 ( -3.268 -0.000 -7.218) 7.924 4.217 ( 5.691 0.000 12.605) 13.830 4.856 ( 8.523 0.000 -1.344) 8.628 5.048 ( 7.706 0.000 -5.262) 9.331 5.331 ( 5.178 0.000 8.519) 9.969 5.371 ( -2.225 -0.000 2.522) 3.363 5.821 ( 9.962 0.000 -15.207) 18.179 6.163 ( 4.807 0.000 -0.715) 4.860 6.306 ( 6.870 0.000 -3.056) 7.519 7.221 ( -6.190 -0.000 -2.145) 6.551 7.400 ( -6.721 -0.000 -2.585) 7.201 7.401 ( 1.363 0.000 -2.428) 2.784 7.555 ( -2.551 -0.000 0.908) 2.707 7.819 ( -6.009 -0.000 0.898) 6.076 7.840 ( -7.827 -0.000 0.396) 7.837 8.942 ( -1.484 -0.000 24.692) 24.737 8.957 ( 14.653 0.000 5.073) 15.506 9.132 ( -9.473 -0.000 6.098) 11.266 9.305 ( 1.446 0.000 18.570) 18.627 9.513 ( 2.599 0.000 7.293) 7.742 9.521 ( 5.832 0.000 -3.313) 6.707 10.047 ( -18.923 -0.000 -16.964) 25.414 10.215 ( 0.762 0.000 6.705) 6.748 10.249 ( 11.294 0.000 -12.040) 16.508 10.734 ( -4.046 -0.000 -18.357) 18.798 10.783 ( 3.974 0.000 4.533) 6.028 11.071 ( 13.060 0.000 -10.266) 16.612 11.499 ( 7.081 0.000 4.616) 8.453 11.563 ( 6.437 0.000 -12.808) 14.335 11.807 ( 7.393 0.000 -0.122) 7.394 12.043 ( -14.980 -0.000 3.001) 15.278 12.052 ( -8.673 -0.000 -0.096) 8.673 12.699 ( -1.977 -0.000 1.278) 2.354 13.421 ( 1.567 0.000 6.681) 6.862 14.116 ( 1.177 0.000 0.012) 1.177 15.649 ( 12.384 0.000 6.689) 14.075 15.973 ( -9.296 -0.000 -5.411) 10.756 16.122 ( 11.277 0.000 -5.465) 12.531 16.503 ( -2.145 -0.000 2.615) 3.382 ======================= Grid point 234 (107/282) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.937 4.443 3.303) 5.865 2.547 ( -8.806 4.867 18.882) 21.396 2.698 ( -6.679 0.070 -3.110) 7.368 2.887 ( -6.072 -6.168 -2.324) 8.962 3.135 ( -3.535 1.165 -15.997) 16.424 3.251 ( -3.670 -1.296 5.236) 6.524 3.485 ( 2.897 1.066 -0.712) 3.167 3.562 ( 0.167 -5.663 5.158) 7.662 3.750 ( 2.811 3.120 -3.846) 5.695 3.834 ( -0.576 -4.256 -2.950) 5.210 4.371 ( -0.288 -2.324 8.833) 9.138 4.970 ( 8.066 4.244 -1.310) 9.208 5.110 ( 5.698 -1.459 -3.382) 6.785 5.328 ( -2.015 7.946 4.970) 9.586 5.498 ( 3.870 2.437 6.849) 8.236 5.780 ( 2.810 -3.280 -13.364) 14.045 6.228 ( 2.100 -4.271 -0.335) 4.772 6.388 ( 5.540 -1.849 -1.401) 6.006 7.107 ( -5.603 1.295 -1.151) 5.865 7.274 ( -5.538 0.343 -3.639) 6.636 7.447 ( 7.998 1.521 -2.182) 8.429 7.535 ( -2.244 0.642 2.730) 3.592 7.712 ( -7.037 0.520 -0.508) 7.074 7.731 ( -5.292 -0.229 -0.814) 5.359 8.993 ( -17.599 -1.098 14.265) 22.681 9.166 ( 4.177 1.424 -0.174) 4.416 9.200 ( 1.141 -0.088 19.508) 19.542 9.417 ( -4.424 3.936 13.310) 14.567 9.520 ( -2.593 5.538 -19.563) 20.496 9.615 ( 5.471 4.150 2.984) 7.487 9.806 ( 9.181 -11.291 1.895) 14.675 10.253 ( 6.803 1.068 -9.991) 12.135 10.317 ( 2.210 -4.707 1.637) 5.451 10.541 ( 0.921 -2.657 -15.539) 15.791 10.917 ( 6.432 0.245 6.514) 9.158 11.188 ( 12.322 -0.317 -7.799) 14.586 11.547 ( 8.573 0.067 -13.399) 15.907 11.657 ( 4.535 1.652 9.302) 10.480 11.841 ( -11.924 0.067 0.305) 11.928 11.857 ( 2.232 2.542 -4.146) 5.351 12.012 ( -1.296 -4.033 6.469) 7.733 12.676 ( -1.586 2.266 1.367) 3.085 13.429 ( -4.914 4.340 3.394) 7.383 14.101 ( -2.001 -1.607 -3.138) 4.054 15.726 ( -16.826 -0.743 -0.809) 16.862 15.894 ( 9.061 -0.289 8.393) 12.354 16.317 ( 18.957 0.814 -5.167) 19.666 16.553 ( 4.094 -3.182 2.465) 5.741 ======================= Grid point 235 (108/282) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -5.499 12.132 2.331) 13.523 2.388 ( -14.430 14.810 3.154) 20.916 2.644 ( -4.122 -5.826 1.664) 7.328 2.852 ( -5.072 -9.635 -0.584) 10.904 2.932 ( -3.774 -1.855 -12.179) 12.885 3.252 ( -6.006 -1.000 8.053) 10.096 3.501 ( -1.881 3.588 5.466) 6.804 3.681 ( 2.018 -1.714 0.737) 2.749 3.755 ( 5.447 -4.288 -0.578) 6.956 3.841 ( 0.798 -2.765 -2.903) 4.087 4.440 ( -3.568 -5.625 6.657) 9.417 4.958 ( 1.838 9.250 -5.825) 11.085 5.164 ( 1.165 -2.517 -2.932) 4.036 5.291 ( -1.304 9.236 7.258) 11.819 5.514 ( -0.076 7.382 -0.037) 7.383 5.736 ( -0.372 -4.611 -5.221) 6.975 6.295 ( -0.731 -10.206 0.921) 10.273 6.466 ( 3.286 -1.285 0.844) 3.628 7.009 ( -3.635 3.285 -1.713) 5.190 7.158 ( -3.843 0.448 -3.767) 5.400 7.499 ( -6.309 -0.023 4.262) 7.614 7.535 ( 4.413 2.278 -0.929) 5.052 7.661 ( 1.077 -0.752 0.569) 1.432 7.698 ( 5.321 -1.452 -3.543) 6.556 8.842 ( -16.791 -1.466 5.504) 17.731 8.924 ( -18.336 -0.720 -10.283) 21.034 9.257 ( -7.173 6.687 1.738) 9.959 9.384 ( -2.152 -0.400 4.691) 5.176 9.531 ( 9.647 1.022 5.879) 11.343 9.803 ( 14.759 8.350 8.826) 19.117 9.980 ( 6.898 0.022 -10.723) 12.750 10.259 ( 3.459 -0.263 -8.915) 9.566 10.414 ( 8.821 -7.292 0.281) 11.448 10.568 ( 6.501 -9.591 -2.534) 11.861 11.091 ( 4.993 -2.147 6.885) 8.772 11.262 ( 6.807 1.845 -6.262) 9.432 11.554 ( 5.391 -0.061 -6.479) 8.429 11.643 ( -5.830 4.311 3.995) 8.278 11.855 ( 5.722 -1.353 4.026) 7.126 11.865 ( 7.161 2.789 -2.008) 7.942 12.125 ( 1.798 -6.123 5.742) 8.584 12.638 ( -1.354 5.437 1.099) 5.709 13.280 ( -10.332 7.576 0.439) 12.820 14.018 ( -4.972 -3.361 -6.444) 8.805 15.474 ( -17.083 -1.295 1.071) 17.165 16.081 ( 3.965 -1.148 7.837) 8.857 16.544 ( 16.481 4.567 -1.484) 17.167 16.726 ( 11.005 -6.061 1.457) 12.648 ======================= Grid point 236 (109/282) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -16.019 17.428 -3.107) 23.874 2.085 ( -9.996 18.585 4.832) 21.649 2.640 ( -4.954 -7.068 1.797) 8.816 2.778 ( -2.216 -0.339 -6.513) 6.888 2.895 ( -4.847 -10.511 2.513) 11.844 3.235 ( -7.300 -0.164 7.871) 10.737 3.456 ( -8.210 10.134 10.424) 16.696 3.661 ( 2.260 4.397 -4.205) 6.490 3.806 ( 2.566 1.796 -5.635) 6.447 3.976 ( 6.110 -12.538 4.507) 14.658 4.510 ( -2.897 -9.818 6.304) 12.022 4.803 ( -2.455 9.388 -8.017) 12.587 5.097 ( -4.911 0.374 -4.609) 6.745 5.283 ( 0.137 8.989 5.736) 10.664 5.429 ( -4.256 2.510 -1.761) 5.246 5.730 ( 1.622 -1.435 -2.859) 3.587 6.360 ( -4.585 -9.603 2.615) 10.958 6.522 ( 1.530 0.122 2.154) 2.645 6.897 ( -1.093 4.757 -5.432) 7.302 7.107 ( -1.607 -3.685 -0.473) 4.048 7.456 ( -6.530 -3.801 5.074) 9.102 7.557 ( 1.418 -1.605 0.523) 2.205 7.736 ( 4.780 0.265 2.958) 5.628 7.811 ( 11.882 0.604 -4.947) 12.885 8.537 ( -15.523 -2.146 -8.076) 17.629 8.699 ( -13.973 -4.040 2.492) 14.758 9.095 ( -6.230 7.393 -0.773) 9.699 9.357 ( -0.316 2.419 -3.295) 4.100 9.722 ( 5.209 -4.887 3.221) 7.835 9.901 ( 3.523 4.958 -12.440) 13.847 10.075 ( 15.577 12.590 13.734) 24.285 10.189 ( 1.720 -2.196 -12.684) 12.987 10.610 ( 8.966 -6.111 -2.613) 11.161 10.740 ( 5.106 -9.138 -0.859) 10.502 11.141 ( -7.356 -1.934 6.742) 10.164 11.259 ( 2.836 3.664 -4.234) 6.277 11.579 ( 2.240 -0.440 -3.862) 4.486 11.754 ( 16.226 -0.232 7.371) 17.824 11.937 ( 2.882 -0.586 -0.865) 3.065 11.993 ( 11.290 6.370 1.707) 13.075 12.267 ( 1.989 -7.968 6.146) 10.257 12.571 ( -1.730 7.805 0.718) 8.026 13.045 ( -11.686 7.074 0.019) 13.661 13.890 ( -5.707 -4.743 -8.500) 11.283 15.253 ( -15.744 -1.003 3.334) 16.125 16.186 ( -0.287 -2.523 5.135) 5.729 16.698 ( 9.678 5.847 0.248) 11.310 16.972 ( 14.271 -3.582 -1.131) 14.756 ======================= Grid point 237 (110/282) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -13.573 21.415 -1.746) 25.414 1.836 ( -11.261 21.477 9.872) 26.183 2.640 ( -4.067 -5.510 2.005) 7.136 2.733 ( -0.287 -1.487 0.843) 1.733 2.891 ( -8.914 1.794 7.784) 11.969 3.176 ( -6.463 2.174 3.375) 7.609 3.329 ( -11.332 9.671 14.481) 20.776 3.626 ( 1.377 2.810 -2.780) 4.186 3.778 ( 4.552 3.777 -6.632) 8.887 4.193 ( 5.082 -11.838 1.544) 12.974 4.577 ( 0.366 2.170 -10.287) 10.520 4.657 ( -2.895 -6.157 4.365) 8.084 4.967 ( -6.456 -0.626 -2.126) 6.826 5.243 ( -2.989 4.789 -0.304) 5.654 5.342 ( -2.177 3.434 1.046) 4.198 5.735 ( 2.598 -1.276 -5.611) 6.313 6.318 ( -8.150 0.058 1.565) 8.299 6.528 ( -0.300 6.276 0.607) 6.312 6.881 ( 4.390 -7.959 -2.924) 9.548 7.140 ( -0.437 -7.053 1.385) 7.201 7.460 ( -5.008 -5.980 5.884) 9.770 7.639 ( 3.280 -5.422 2.858) 6.952 7.829 ( 2.681 1.255 4.390) 5.295 7.920 ( 9.975 2.558 -4.792) 11.358 8.327 ( -7.781 -4.858 -3.247) 9.731 8.565 ( -10.837 -5.230 1.926) 12.186 8.958 ( -3.607 6.174 -0.650) 7.180 9.296 ( 1.766 3.296 -6.412) 7.423 9.769 ( 5.274 -0.656 -15.148) 16.053 9.829 ( -2.240 5.645 5.019) 7.878 10.066 ( 1.810 1.312 -14.169) 14.345 10.367 ( 10.434 3.790 11.958) 16.316 10.744 ( 6.521 -5.824 -3.462) 9.404 10.767 ( -0.609 -1.303 -3.959) 4.212 11.180 ( 0.464 2.969 2.310) 3.790 11.201 ( 0.446 -4.959 -4.262) 6.554 11.578 ( 0.888 1.095 -0.691) 1.570 11.881 ( -2.119 7.299 -2.657) 8.051 12.098 ( 9.983 -0.966 1.541) 10.147 12.151 ( 14.388 2.621 4.333) 15.253 12.428 ( 4.314 -7.349 5.467) 10.125 12.507 ( -0.174 4.714 1.255) 4.882 12.861 ( -8.290 3.883 3.487) 9.796 13.768 ( -3.343 -4.616 -8.759) 10.450 15.079 ( -13.173 -0.059 5.635) 14.328 16.212 ( -4.024 -3.787 1.774) 5.804 16.758 ( 4.138 5.867 -0.165) 7.182 17.139 ( 10.539 2.410 -6.592) 12.662 ======================= Grid point 238 (111/282) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -4.536 20.889 8.831) 23.128 1.636 ( -8.091 22.161 15.422) 28.186 2.636 ( -3.780 2.726 3.358) 5.745 2.723 ( -11.097 19.887 19.812) 30.185 2.820 ( 1.859 -2.575 5.411) 6.274 3.125 ( -3.207 -2.764 1.500) 4.492 3.281 ( -7.130 -1.105 9.579) 11.992 3.606 ( 1.189 1.561 -1.756) 2.633 3.750 ( 3.973 5.399 -5.629) 8.753 4.311 ( 0.131 -6.118 -4.775) 7.762 4.411 ( 3.044 2.886 -13.895) 14.514 4.745 ( -0.997 -6.673 0.501) 6.766 4.918 ( -4.003 -7.356 4.644) 9.575 5.134 ( -4.018 1.818 -3.856) 5.858 5.327 ( 0.541 2.966 2.117) 3.684 5.711 ( 2.586 -1.707 -9.636) 10.122 6.178 ( -6.417 6.138 -0.549) 8.897 6.449 ( -0.168 10.120 -1.695) 10.263 7.051 ( 5.416 -15.139 0.790) 16.098 7.221 ( -0.262 -10.189 2.307) 10.451 7.509 ( -3.610 -7.917 6.494) 10.858 7.770 ( 2.437 -5.725 4.480) 7.667 7.874 ( -0.507 1.326 3.580) 3.851 7.978 ( 7.148 5.517 -4.245) 9.977 8.310 ( -0.127 -7.284 1.859) 7.519 8.490 ( -6.794 -5.577 1.686) 8.951 8.880 ( -1.550 5.108 1.539) 5.555 9.235 ( 1.846 2.298 -7.316) 7.887 9.700 ( 4.184 2.557 -11.275) 12.295 9.752 ( -5.563 3.965 0.307) 6.839 9.956 ( 2.218 2.229 -11.468) 11.891 10.508 ( -2.037 0.081 6.121) 6.451 10.752 ( 4.033 2.245 -4.744) 6.619 10.856 ( 4.030 -3.852 -1.162) 5.695 11.041 ( 3.386 6.443 -11.498) 13.608 11.325 ( 2.160 -9.141 0.596) 9.412 11.570 ( -0.923 2.592 1.187) 2.997 11.752 ( -2.367 3.808 -5.418) 7.033 12.138 ( 1.427 1.382 -2.377) 3.098 12.335 ( 1.343 2.865 5.814) 6.620 12.534 ( 5.460 -1.617 -1.141) 5.808 12.609 ( 5.516 -3.898 1.922) 7.023 12.804 ( -5.669 1.072 9.445) 11.068 13.702 ( 1.921 -2.568 -7.183) 7.866 14.972 ( -8.586 0.477 7.349) 11.311 16.153 ( -6.245 -2.142 -2.600) 7.095 16.738 ( 0.462 6.012 -1.413) 6.193 17.104 ( 2.853 9.924 -10.680) 14.856 ======================= Grid point 239 (112/282) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.936 12.148 20.590) 24.411 1.587 ( 0.602 18.721 20.003) 27.404 2.494 ( -8.385 27.193 22.042) 35.995 2.746 ( 2.375 1.883 8.263) 8.802 2.971 ( 5.095 -2.102 9.283) 10.796 3.132 ( -2.140 -3.465 2.872) 4.983 3.288 ( -4.452 -5.282 3.802) 7.885 3.595 ( 1.309 2.129 -2.472) 3.515 3.709 ( 2.084 4.326 -3.728) 6.079 4.162 ( 1.125 5.941 -17.051) 18.091 4.410 ( 1.807 -5.432 -6.078) 8.350 4.751 ( -0.864 -6.095 -3.055) 6.872 4.988 ( -1.456 -4.678 0.041) 4.899 5.044 ( -3.146 -4.131 -0.609) 5.228 5.344 ( 0.937 1.115 1.944) 2.429 5.661 ( 3.499 -2.184 -12.147) 12.829 6.051 ( -1.430 8.157 -0.778) 8.318 6.350 ( 1.141 10.073 -3.657) 10.777 7.239 ( 2.747 -13.321 0.239) 13.604 7.326 ( -0.567 -12.112 2.478) 12.376 7.603 ( -1.644 -10.173 6.992) 12.453 7.833 ( -1.867 1.500 1.997) 3.118 7.900 ( -1.173 -3.752 3.072) 4.989 7.962 ( 3.500 7.845 -3.754) 9.375 8.419 ( 3.017 -5.621 1.581) 6.573 8.473 ( -2.998 -5.115 1.385) 6.088 8.871 ( -0.261 3.749 6.947) 7.899 9.176 ( 0.667 -0.596 -6.653) 6.713 9.581 ( -4.623 3.730 -4.212) 7.282 9.702 ( -0.661 2.991 0.821) 3.171 9.872 ( 4.372 3.341 -9.771) 11.214 10.501 ( -2.995 5.466 3.726) 7.261 10.598 ( -4.814 4.265 -9.990) 11.881 10.921 ( 4.125 1.296 -0.840) 4.405 11.076 ( 9.477 -7.176 -9.360) 15.130 11.369 ( -1.372 -3.405 -2.977) 4.727 11.494 ( -7.058 1.658 -2.483) 7.664 11.651 ( 0.000 1.140 -7.534) 7.620 12.141 ( -1.358 -3.196 -2.509) 4.284 12.305 ( 0.636 7.952 -0.155) 7.979 12.600 ( -4.582 -2.739 5.586) 7.726 12.695 ( 5.257 -3.377 -0.175) 6.250 12.787 ( -9.893 0.046 8.316) 12.924 13.741 ( 8.361 -0.551 -3.646) 9.138 14.962 ( -2.110 -0.004 7.712) 7.995 16.014 ( -1.619 5.935 -8.647) 10.612 16.660 ( -2.693 5.187 -1.331) 5.994 16.931 ( -2.021 11.233 -5.660) 12.740 ======================= Grid point 240 (113/282) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 3.050 5.438 22.783) 23.621 1.774 ( 9.949 11.712 22.202) 27.001 2.482 ( 1.519 19.179 23.479) 30.355 2.883 ( 7.211 1.393 6.323) 9.691 3.163 ( 1.685 -4.433 1.387) 4.941 3.173 ( 3.114 -1.001 11.284) 11.749 3.294 ( -2.876 -2.947 2.705) 4.927 3.567 ( 1.498 2.846 -1.753) 3.663 3.675 ( 0.968 2.368 -3.222) 4.114 3.975 ( 2.659 6.523 -16.462) 17.906 4.374 ( -0.955 -1.570 -8.661) 8.854 4.770 ( 1.090 -7.240 -4.576) 8.634 4.934 ( 1.558 1.061 -6.841) 7.096 5.078 ( -5.131 -9.665 3.366) 11.448 5.371 ( 0.579 0.555 2.227) 2.367 5.631 ( 7.034 -1.695 -12.364) 14.326 6.006 ( 3.916 6.757 -0.633) 7.836 6.269 ( 3.520 8.663 -4.912) 10.563 7.334 ( -0.477 -9.450 -1.358) 9.559 7.425 ( -1.083 -11.229 1.151) 11.339 7.742 ( -0.913 -10.895 7.194) 13.087 7.773 ( -3.318 3.307 -1.528) 4.928 7.837 ( -3.113 7.149 -3.280) 8.459 7.970 ( -1.200 -1.605 3.124) 3.711 8.486 ( 2.290 -1.703 -0.678) 2.933 8.502 ( 0.074 -4.605 1.555) 4.861 8.936 ( 0.225 2.834 9.475) 9.892 9.161 ( 1.854 -2.613 -1.622) 3.591 9.465 ( -3.980 2.767 -0.169) 4.851 9.615 ( -10.438 9.329 9.580) 16.963 9.898 ( 11.792 2.232 -7.263) 14.028 10.311 ( -4.190 11.518 -6.167) 13.720 10.562 ( 0.383 -0.305 2.732) 2.775 10.921 ( -3.509 -4.009 -2.689) 5.968 11.146 ( 2.329 -8.212 -12.207) 14.896 11.290 ( -2.783 3.204 -3.794) 5.693 11.381 ( 1.453 -1.198 -2.483) 3.116 11.568 ( 2.504 1.903 -13.776) 14.131 11.956 ( -12.183 7.638 -3.074) 14.704 12.330 ( 1.835 -5.895 -4.412) 7.589 12.593 ( -4.892 -0.166 2.074) 5.316 12.688 ( -10.537 1.210 10.953) 15.247 12.835 ( 5.927 -4.451 5.027) 8.956 13.862 ( 8.968 0.436 -0.434) 8.989 15.051 ( 3.897 -0.550 6.461) 7.565 15.892 ( 8.129 9.470 -12.670) 17.784 16.562 ( -6.373 1.813 0.703) 6.663 16.780 ( -4.156 7.943 -1.039) 9.024 ======================= Grid point 244 (114/282) ======================= q-point: ( 0.30 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -1.706 -0.000 2.517) 3.041 2.556 ( -8.334 -0.000 -2.204) 8.620 2.596 ( -8.921 -0.000 12.905) 15.689 2.692 ( -8.238 -0.000 -7.398) 11.072 2.924 ( -3.295 -0.000 -14.138) 14.517 3.245 ( -6.055 -0.000 9.655) 11.397 3.564 ( 5.848 0.000 -0.706) 5.891 3.596 ( -3.662 -0.000 13.976) 14.448 3.781 ( 2.276 0.000 -4.687) 5.210 3.794 ( 5.391 0.000 -5.312) 7.569 4.397 ( -4.692 -0.000 7.049) 8.468 5.062 ( 3.745 0.000 -5.668) 6.794 5.112 ( 0.291 0.000 -3.246) 3.259 5.374 ( -2.103 -0.000 7.056) 7.363 5.637 ( -1.926 -0.000 -11.464) 11.625 5.638 ( 1.136 0.000 7.302) 7.390 6.207 ( -1.671 -0.000 0.198) 1.683 6.452 ( 4.236 0.000 0.590) 4.277 7.033 ( -3.420 -0.000 -0.833) 3.520 7.163 ( -4.351 -0.000 -4.217) 6.059 7.499 ( -8.421 -0.000 4.058) 9.348 7.556 ( 3.157 0.000 -0.892) 3.281 7.654 ( 2.137 0.000 0.259) 2.152 7.685 ( 5.736 0.000 -3.697) 6.824 8.830 ( -16.462 -0.000 7.415) 18.054 8.917 ( -20.130 -0.000 -11.960) 23.415 9.327 ( -8.044 -0.000 18.131) 19.835 9.351 ( -4.376 -0.000 -6.014) 7.438 9.555 ( 9.993 0.000 -1.760) 10.146 9.854 ( 17.226 0.000 -1.365) 17.280 10.010 ( 11.052 0.000 2.395) 11.309 10.300 ( 11.634 0.000 -3.612) 12.182 10.309 ( 1.374 0.000 -5.259) 5.435 10.480 ( 5.037 0.000 -3.350) 6.049 11.071 ( 3.805 0.000 6.687) 7.694 11.282 ( 8.734 0.000 -6.778) 11.055 11.558 ( 7.334 0.000 -10.042) 12.435 11.673 ( -8.356 -0.000 5.508) 10.008 11.852 ( 6.624 0.000 6.347) 9.174 11.877 ( 5.204 0.000 -1.875) 5.531 12.073 ( 2.037 0.000 5.514) 5.878 12.683 ( -0.714 -0.000 1.308) 1.490 13.346 ( -10.658 -0.000 0.991) 10.704 13.987 ( -5.363 -0.000 -7.025) 8.838 15.464 ( -16.797 -0.000 0.971) 16.825 16.071 ( 3.382 0.000 8.061) 8.742 16.598 ( 21.133 0.000 -2.002) 21.228 16.659 ( 8.018 0.000 1.777) 8.213 ======================= Grid point 246 (115/282) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -11.214 15.158 -0.792) 18.872 2.367 ( -5.666 16.417 0.325) 17.370 2.505 ( -7.381 -9.212 -0.739) 11.827 2.668 ( -5.596 -16.752 1.501) 17.726 2.777 ( -2.215 -0.101 -7.206) 7.539 3.244 ( -8.203 0.617 12.194) 14.709 3.599 ( 0.295 8.491 6.683) 10.810 3.713 ( 0.462 -0.914 3.103) 3.267 3.803 ( 4.381 -3.079 0.418) 5.371 3.833 ( 6.225 -2.725 -5.113) 8.503 4.400 ( -4.948 -3.909 7.354) 9.687 4.947 ( -2.960 8.341 -8.350) 12.168 5.068 ( -5.037 -4.105 -4.132) 7.701 5.388 ( -3.297 3.262 3.852) 6.029 5.497 ( -1.564 5.571 -3.487) 6.756 5.697 ( -0.480 -2.753 1.114) 3.009 6.208 ( -2.535 -6.771 1.696) 7.427 6.524 ( 2.620 -0.150 2.828) 3.858 6.970 ( -2.150 3.633 -2.847) 5.091 7.060 ( -3.465 -2.310 -4.108) 5.850 7.416 ( -7.718 -1.267 5.389) 9.498 7.533 ( -2.358 -1.071 0.101) 2.592 7.740 ( 5.357 0.159 3.240) 6.263 7.818 ( 13.641 0.239 -5.514) 14.715 8.518 ( -16.347 -0.399 -9.128) 18.727 8.649 ( -15.148 -1.994 3.729) 15.727 9.196 ( -5.948 4.926 -3.758) 8.588 9.350 ( -5.304 -2.260 4.963) 7.607 9.665 ( 10.349 -2.029 -7.672) 13.041 10.002 ( 8.394 7.341 -8.729) 14.161 10.124 ( 7.424 -2.938 -4.718) 9.274 10.299 ( 7.704 9.224 3.342) 12.474 10.508 ( 7.250 -3.933 -0.994) 8.308 10.597 ( 8.162 -8.628 0.193) 11.878 11.124 ( -5.189 -0.528 6.530) 8.357 11.308 ( 2.624 1.891 -4.194) 5.296 11.569 ( 4.911 -0.186 -6.144) 7.868 11.742 ( 10.304 -1.390 4.586) 11.364 11.964 ( 6.188 4.752 3.761) 8.661 12.037 ( 10.202 -1.876 3.558) 10.966 12.160 ( 0.958 -3.960 4.503) 6.072 12.671 ( -0.683 3.802 0.979) 3.985 13.147 ( -12.864 4.655 0.371) 13.685 13.819 ( -7.044 -3.343 -9.079) 11.968 15.243 ( -14.987 -0.329 3.400) 15.371 16.158 ( -1.148 -1.003 5.594) 5.798 16.774 ( 7.713 3.455 0.594) 8.472 16.916 ( 18.541 -2.883 -1.008) 18.791 ======================= Grid point 247 (116/282) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -9.702 21.341 -2.911) 23.623 2.159 ( -7.413 19.958 6.197) 22.174 2.498 ( -4.865 -12.626 0.321) 13.534 2.718 ( -1.005 -4.762 -1.420) 5.070 2.740 ( -2.729 -11.179 1.582) 11.616 3.219 ( -9.149 1.879 11.646) 14.928 3.559 ( -5.319 15.323 10.552) 19.350 3.696 ( 1.098 5.015 -1.600) 5.377 3.823 ( 5.479 2.014 -6.973) 9.094 4.018 ( 4.950 -10.555 4.735) 12.583 4.470 ( -1.397 -7.828 7.126) 10.678 4.730 ( -4.275 8.211 -9.538) 13.291 4.948 ( -8.004 -2.581 -3.606) 9.150 5.291 ( -5.680 1.700 -2.751) 6.536 5.439 ( 0.665 8.326 1.317) 8.455 5.705 ( 0.237 -3.035 -3.441) 4.595 6.248 ( -3.637 -7.393 2.745) 8.684 6.582 ( 1.264 1.254 3.573) 3.992 6.858 ( -0.739 3.731 -5.937) 7.051 7.037 ( -1.736 -6.392 -0.861) 6.679 7.393 ( -5.375 -2.658 6.542) 8.874 7.549 ( 0.593 -5.269 1.662) 5.557 7.847 ( 3.307 0.967 4.817) 5.923 7.947 ( 10.473 1.004 -4.845) 11.583 8.277 ( -7.920 -1.798 -3.725) 8.935 8.491 ( -11.795 -3.918 2.247) 12.631 9.044 ( -3.415 4.571 -4.020) 6.980 9.313 ( -1.952 -0.593 -3.000) 3.628 9.743 ( 8.881 -1.838 -10.937) 14.208 9.958 ( 2.841 10.094 -1.802) 10.640 10.088 ( 2.360 1.505 -13.178) 13.472 10.457 ( 6.241 4.362 7.765) 10.875 10.580 ( 4.784 -10.865 -11.204) 16.324 10.746 ( 4.954 -2.228 0.682) 5.474 11.134 ( -0.456 -0.522 6.138) 6.177 11.258 ( -1.689 2.962 -2.667) 4.329 11.598 ( 4.171 1.577 -1.191) 4.616 11.904 ( -0.808 -4.353 -3.378) 5.569 12.083 ( 7.234 3.540 6.187) 10.156 12.225 ( 13.023 3.358 -0.296) 13.452 12.310 ( 8.341 -7.376 5.610) 12.468 12.619 ( -1.380 7.447 0.917) 7.630 12.934 ( -10.881 5.641 3.755) 12.818 13.676 ( -4.679 -6.566 -8.080) 11.414 15.081 ( -12.222 0.270 6.012) 13.623 16.166 ( -4.342 -2.107 2.563) 5.465 16.832 ( 3.307 3.581 -0.298) 4.883 17.157 ( 13.608 0.274 -4.090) 14.212 ======================= Grid point 248 (117/282) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -3.441 22.485 2.980) 22.941 1.974 ( -5.993 21.227 10.645) 24.491 2.547 ( -1.771 -10.972 1.004) 11.160 2.769 ( 1.145 -6.886 1.019) 7.055 2.807 ( -1.219 -5.033 6.401) 8.233 3.170 ( -8.015 3.485 9.687) 13.047 3.429 ( -8.123 19.843 14.203) 25.719 3.663 ( 0.751 5.077 -0.056) 5.133 3.820 ( 5.162 3.347 -6.380) 8.863 4.178 ( 1.920 -8.873 0.811) 9.114 4.485 ( -1.014 4.691 -11.933) 12.862 4.631 ( 0.755 -6.369 3.469) 7.292 4.833 ( -6.797 -4.616 0.206) 8.219 5.163 ( -4.363 1.760 -4.545) 6.542 5.400 ( 0.996 6.383 -0.026) 6.460 5.681 ( 0.937 -2.499 -7.582) 8.038 6.231 ( -4.486 0.594 1.337) 4.718 6.591 ( 0.001 7.247 1.047) 7.323 6.850 ( 3.741 -9.180 -2.350) 10.188 7.075 ( -1.219 -8.862 1.040) 9.005 7.414 ( -4.011 -4.133 6.850) 8.949 7.653 ( 1.897 -8.419 3.410) 9.279 7.904 ( -0.468 2.217 4.494) 5.033 8.039 ( 8.239 2.279 -2.776) 8.988 8.221 ( -0.471 -3.931 0.463) 3.986 8.403 ( -7.152 -5.312 1.972) 9.124 8.952 ( -0.633 3.884 -1.749) 4.306 9.244 ( -1.801 -0.886 -6.441) 6.747 9.750 ( 7.848 3.844 -10.588) 13.729 9.853 ( -2.448 9.695 -5.063) 11.208 10.009 ( 2.677 3.021 -6.765) 7.878 10.503 ( -1.838 -0.549 1.910) 2.707 10.616 ( 1.153 -16.784 -14.347) 22.111 10.857 ( 8.726 3.516 1.393) 9.511 11.143 ( 0.114 5.293 -6.051) 8.040 11.244 ( 2.488 -1.865 3.629) 4.779 11.630 ( 0.855 4.730 3.061) 5.699 11.796 ( -3.678 0.046 -9.616) 10.295 12.113 ( -4.000 -2.315 0.424) 4.641 12.421 ( 11.158 5.255 1.688) 12.448 12.525 ( 5.964 -0.987 2.059) 6.386 12.568 ( 1.348 1.298 0.490) 1.934 12.826 ( -8.384 2.233 9.704) 13.017 13.634 ( 1.503 -6.052 -5.065) 8.033 14.986 ( -8.278 1.228 7.950) 11.542 16.121 ( -4.670 -1.912 -0.084) 5.047 16.819 ( 0.204 4.322 -1.376) 4.540 17.218 ( 5.074 5.214 -8.429) 11.135 ======================= Grid point 249 (118/282) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 3.362 16.994 12.545) 21.389 1.888 ( 0.064 19.809 14.861) 24.764 2.619 ( 0.779 -6.773 0.111) 6.819 2.819 ( -2.479 -3.671 5.409) 6.991 2.955 ( 5.270 0.609 12.008) 13.128 3.123 ( -4.813 3.595 7.009) 9.232 3.331 ( -5.616 14.526 15.236) 21.787 3.639 ( 0.572 3.888 -0.035) 3.930 3.792 ( 2.995 5.192 -5.315) 8.011 4.199 ( -1.056 -2.248 -9.517) 9.835 4.356 ( 3.005 0.329 -8.057) 8.605 4.668 ( -1.968 -4.714 -2.965) 5.906 4.863 ( -1.534 -8.580 5.236) 10.168 5.047 ( -2.178 1.490 -6.269) 6.802 5.374 ( 0.942 2.907 -0.943) 3.198 5.636 ( 3.083 -1.255 -9.775) 10.326 6.160 ( -1.347 5.845 -0.052) 5.999 6.509 ( 0.244 10.284 -2.667) 10.627 7.017 ( 4.375 -15.221 0.863) 15.861 7.151 ( -1.135 -10.473 2.606) 10.852 7.469 ( -2.686 -6.494 6.781) 9.766 7.774 ( 0.290 -8.126 3.712) 8.939 7.895 ( -2.436 2.727 2.665) 4.525 8.069 ( 3.869 5.716 -4.674) 8.336 8.325 ( 4.669 -6.118 3.263) 8.359 8.387 ( -3.006 -5.549 1.746) 6.548 8.933 ( 0.567 3.648 4.117) 5.530 9.151 ( -2.979 -2.477 -6.592) 7.646 9.659 ( -3.178 7.025 -6.021) 9.783 9.768 ( 5.702 5.830 -4.041) 9.101 9.956 ( 3.483 6.287 -5.365) 8.969 10.505 ( -1.871 -3.947 0.727) 4.428 10.574 ( -4.517 -10.047 -10.326) 15.099 10.936 ( 5.249 2.220 -4.194) 7.076 11.049 ( 5.827 4.793 -10.940) 13.290 11.324 ( 2.634 -2.366 0.021) 3.540 11.559 ( -6.841 4.639 -1.735) 8.446 11.673 ( 0.380 1.566 -8.590) 8.740 12.091 ( -1.226 -2.504 1.304) 3.078 12.420 ( -3.494 5.974 -3.311) 7.672 12.579 ( -0.841 0.442 5.033) 5.122 12.641 ( 4.032 -3.428 -0.008) 5.292 12.786 ( -10.723 0.305 10.921) 15.308 13.714 ( 8.148 -3.084 -1.879) 8.913 14.973 ( -2.641 1.339 8.538) 9.037 16.065 ( -0.442 1.216 -3.660) 3.882 16.746 ( -2.517 5.364 -2.438) 6.407 17.091 ( -2.122 9.039 -8.251) 12.421 ======================= Grid point 250 (119/282) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 2.623 9.597 18.281) 20.813 1.986 ( 8.487 15.219 18.066) 25.100 2.657 ( 0.295 -0.116 2.178) 2.201 2.915 ( 3.880 -0.556 9.002) 9.818 3.098 ( -2.255 -0.803 4.277) 4.902 3.166 ( 4.132 0.431 10.900) 11.665 3.335 ( -0.502 9.986 14.076) 17.266 3.613 ( 0.240 3.126 -0.801) 3.236 3.742 ( 1.873 5.513 -2.851) 6.483 4.055 ( 1.504 3.389 -15.550) 15.986 4.352 ( 2.120 -0.741 -6.310) 6.698 4.654 ( -0.859 -7.358 -2.955) 7.976 4.937 ( -3.402 -8.015 2.953) 9.194 4.956 ( 1.087 1.521 -7.398) 7.631 5.363 ( 0.334 -1.155 -1.953) 2.293 5.624 ( 7.829 0.866 -8.954) 11.925 6.118 ( 3.090 7.353 -0.423) 7.987 6.410 ( 2.074 9.509 -4.726) 10.820 7.181 ( 2.219 -11.378 -0.106) 11.593 7.244 ( -1.679 -11.612 3.098) 12.134 7.570 ( -1.683 -9.972 7.070) 12.339 7.821 ( -2.959 1.395 0.419) 3.298 7.861 ( -3.042 -3.041 1.522) 4.563 7.995 ( -0.923 5.414 -4.239) 6.938 8.424 ( 0.054 -5.018 1.731) 5.308 8.449 ( 4.557 -3.124 -0.606) 5.558 8.974 ( -2.619 1.297 7.476) 8.027 9.116 ( 2.697 -2.712 0.406) 3.846 9.524 ( -2.910 4.990 -1.751) 6.036 9.745 ( -2.883 7.787 4.098) 9.260 9.965 ( 11.903 5.939 -6.089) 14.629 10.403 ( -6.487 -3.189 -10.000) 12.339 10.560 ( -0.164 0.552 5.482) 5.512 10.887 ( -2.154 0.623 -8.609) 8.896 11.046 ( 8.140 -2.234 -11.848) 14.547 11.351 ( -2.170 0.351 -8.287) 8.573 11.384 ( -1.399 4.266 2.844) 5.314 11.582 ( 1.918 0.020 -13.612) 13.747 12.058 ( -8.024 5.351 -0.521) 9.658 12.259 ( -5.149 -2.917 -3.381) 6.816 12.586 ( -6.436 -0.670 3.249) 7.240 12.708 ( -4.718 0.554 6.056) 7.697 12.765 ( 0.991 -3.258 9.391) 9.989 13.861 ( 9.258 -0.687 0.327) 9.289 15.051 ( 3.394 0.732 7.524) 8.286 16.015 ( 5.556 5.782 -9.104) 12.133 16.617 ( -6.166 4.962 -1.531) 8.061 16.906 ( -4.781 8.107 -3.695) 10.111 ======================= Grid point 251 (120/282) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.119 4.200 18.819) 19.398 2.191 ( 4.915 10.913 19.220) 22.642 2.723 ( 4.230 -1.591 3.447) 5.684 3.080 ( 3.329 3.469 8.170) 9.480 3.109 ( 2.278 -6.407 -2.148) 7.131 3.286 ( -2.680 1.978 12.837) 13.262 3.401 ( 4.798 5.472 0.923) 7.336 3.600 ( -0.123 2.686 1.376) 3.021 3.753 ( 5.367 4.941 4.786) 8.725 3.923 ( 4.477 5.466 -11.211) 13.251 4.271 ( -1.023 3.325 -9.244) 9.877 4.700 ( 2.926 -7.540 -4.191) 9.109 4.911 ( 2.483 -1.981 -6.052) 6.835 4.961 ( -3.492 -6.106 2.480) 7.458 5.366 ( 0.517 -3.536 -2.391) 4.299 5.686 ( 12.404 2.441 -8.026) 14.974 6.129 ( 6.013 7.169 -0.721) 9.384 6.344 ( 4.518 7.415 -5.541) 10.300 7.257 ( -0.279 -6.414 -0.518) 6.441 7.328 ( -2.357 -11.133 1.492) 11.478 7.651 ( -6.031 -6.184 1.380) 8.748 7.757 ( -1.107 -2.104 0.632) 2.460 7.782 ( -6.261 4.822 -2.063) 8.167 7.938 ( -2.983 -2.478 0.603) 3.925 8.490 ( 1.109 -3.995 3.647) 5.522 8.544 ( 6.999 -2.027 0.168) 7.289 8.990 ( -4.120 -3.496 7.648) 9.364 9.245 ( 4.820 1.579 6.939) 8.595 9.465 ( 0.498 4.176 1.791) 4.571 9.661 ( -7.815 10.566 10.527) 16.839 10.064 ( 11.412 4.077 -5.127) 13.158 10.267 ( -0.236 2.422 -5.142) 5.688 10.592 ( -3.903 1.040 4.445) 6.006 10.707 ( -6.760 -0.252 -8.788) 11.091 11.051 ( 6.316 -0.501 -12.596) 14.099 11.239 ( 0.229 -2.002 -4.770) 5.178 11.423 ( -2.157 2.418 -16.702) 17.014 11.463 ( 6.150 -0.529 1.248) 6.298 11.835 ( -3.910 5.702 -8.785) 11.179 12.222 ( -5.879 -3.685 2.425) 7.350 12.446 ( -13.601 -0.513 1.935) 13.748 12.705 ( -2.471 0.210 3.665) 4.425 12.960 ( 5.613 -6.019 9.873) 12.854 13.997 ( 6.888 0.847 1.947) 7.208 15.203 ( 8.091 0.370 5.934) 10.041 15.977 ( 10.591 6.835 -12.877) 18.020 16.458 ( -10.364 2.799 0.594) 10.751 16.751 ( -5.508 6.685 -0.494) 8.676 ======================= Grid point 256 (121/282) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -9.056 -0.000 0.111) 9.056 2.277 ( -5.135 -0.000 -3.853) 6.420 2.420 ( -0.770 -0.000 -4.341) 4.409 2.508 ( -9.120 -0.000 9.579) 13.226 2.725 ( 0.560 0.000 -0.318) 0.644 3.233 ( -9.881 -0.000 12.738) 16.121 3.717 ( 4.248 0.000 -0.956) 4.354 3.726 ( -3.181 -0.000 5.066) 5.981 3.847 ( 6.029 0.000 -7.946) 9.974 3.906 ( 4.035 0.000 9.315) 10.151 4.404 ( -1.911 -0.000 8.360) 8.576 4.829 ( -3.228 -0.000 -12.917) 13.314 4.898 ( -10.764 -0.000 -0.394) 10.771 5.304 ( -5.615 -0.000 -3.541) 6.638 5.537 ( 0.752 0.000 2.288) 2.408 5.655 ( -1.633 -0.000 -3.225) 3.614 6.176 ( -1.232 -0.000 3.078) 3.315 6.589 ( 1.300 0.000 3.501) 3.735 6.934 ( -2.905 -0.000 -5.577) 6.289 6.948 ( -1.362 -0.000 -1.962) 2.389 7.374 ( -5.125 -0.000 6.757) 8.481 7.504 ( -0.802 -0.000 1.091) 1.354 7.855 ( 3.643 0.000 4.941) 6.139 7.954 ( 10.255 0.000 -4.818) 11.330 8.265 ( -7.694 -0.000 -3.934) 8.642 8.458 ( -12.189 -0.000 2.447) 12.432 9.083 ( -3.178 -0.000 -6.907) 7.603 9.303 ( -3.908 -0.000 0.430) 3.932 9.727 ( 11.672 0.000 -10.533) 15.722 10.046 ( 5.350 0.000 -10.481) 11.767 10.136 ( 3.332 0.000 -4.278) 5.423 10.381 ( 2.508 0.000 -9.257) 9.591 10.573 ( -1.774 -0.000 0.240) 1.790 10.718 ( 11.885 0.000 3.318) 12.340 11.136 ( -0.657 -0.000 6.471) 6.504 11.280 ( -2.092 -0.000 -2.413) 3.194 11.615 ( 6.681 0.000 -2.383) 7.093 11.854 ( 0.134 0.000 -1.398) 1.405 12.140 ( -3.069 -0.000 4.625) 5.550 12.220 ( 14.464 0.000 7.219) 16.165 12.259 ( 14.892 0.000 -0.497) 14.900 12.681 ( -1.156 -0.000 0.075) 1.158 12.995 ( -11.330 -0.000 3.569) 11.879 13.612 ( -5.710 -0.000 -7.801) 9.667 15.084 ( -11.770 -0.000 6.150) 13.280 16.149 ( -4.448 -0.000 2.859) 5.288 16.861 ( 2.761 0.000 -0.394) 2.789 17.157 ( 14.960 0.000 -3.196) 15.297 ======================= Grid point 258 (122/282) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -2.720 21.281 -0.012) 21.454 2.257 ( -5.367 6.833 5.360) 10.210 2.337 ( 0.051 -7.418 -2.069) 7.701 2.568 ( -4.288 -14.554 5.059) 15.993 2.792 ( 4.064 0.050 6.537) 7.698 3.195 ( -9.925 0.583 11.126) 14.921 3.684 ( -4.323 9.577 7.587) 12.960 3.738 ( 1.889 3.556 -1.833) 4.425 3.852 ( 4.933 0.979 -6.263) 8.032 4.067 ( 2.302 -4.483 6.119) 7.927 4.499 ( 2.105 -1.976 5.514) 6.224 4.630 ( -2.700 5.540 -9.246) 11.112 4.754 ( -9.513 -5.783 -1.447) 11.227 5.183 ( -4.237 0.719 -4.943) 6.550 5.513 ( 0.376 7.798 -1.945) 8.046 5.621 ( -0.387 -5.559 -4.947) 7.452 6.211 ( -0.853 -1.827 4.063) 4.536 6.629 ( 0.494 -0.905 2.261) 2.485 6.832 ( -0.041 5.286 -4.198) 6.750 6.949 ( -1.197 -7.405 -1.058) 7.576 7.381 ( -3.395 -0.524 6.914) 7.720 7.543 ( 1.170 -4.661 2.548) 5.439 7.932 ( 0.223 1.148 5.033) 5.167 8.052 ( 7.106 -0.091 -0.408) 7.118 8.190 ( 0.166 -0.612 -2.180) 2.270 8.341 ( -7.096 -2.244 2.311) 7.793 8.993 ( -0.024 1.340 -4.745) 4.931 9.226 ( -4.017 -0.842 -4.451) 6.055 9.805 ( 11.888 2.575 -9.319) 15.324 10.027 ( 3.992 0.925 -9.807) 10.629 10.044 ( -0.550 12.826 -4.468) 13.593 10.338 ( -1.297 -16.852 -13.773) 21.803 10.505 ( -3.805 0.071 -1.763) 4.194 10.904 ( 9.364 1.934 1.011) 9.615 11.201 ( 2.310 2.240 0.435) 3.247 11.233 ( 0.135 -0.373 -0.053) 0.400 11.697 ( 2.849 3.506 2.482) 5.154 11.760 ( -4.620 -3.211 -7.606) 9.461 12.092 ( -5.394 -0.544 1.408) 5.601 12.460 ( 12.259 0.881 -2.279) 12.500 12.492 ( 9.152 -1.655 3.706) 10.012 12.634 ( -2.161 3.250 -0.804) 3.985 12.880 ( -9.484 3.643 8.452) 13.216 13.540 ( 1.057 -4.631 -2.271) 5.265 15.003 ( -7.874 0.693 8.348) 11.497 16.099 ( -4.303 -0.813 1.004) 4.493 16.865 ( -0.032 1.548 -1.331) 2.042 17.270 ( 6.477 1.621 -6.840) 9.559 ======================= Grid point 259 (123/282) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 2.229 19.097 5.628) 20.034 2.177 ( -0.576 16.758 10.703) 19.892 2.437 ( 1.932 -15.044 -2.696) 15.405 2.678 ( -0.764 -11.439 5.207) 12.592 2.963 ( 6.452 0.524 11.134) 12.879 3.148 ( -8.896 0.389 9.766) 13.216 3.610 ( -5.028 15.058 12.394) 20.141 3.707 ( 0.904 4.219 -2.291) 4.885 3.852 ( 3.630 2.333 -5.200) 6.757 4.131 ( -1.012 -4.377 -2.339) 5.065 4.423 ( -0.242 7.641 -6.176) 9.828 4.610 ( -1.570 -2.696 -2.749) 4.158 4.735 ( 0.244 -8.478 3.897) 9.334 5.068 ( -2.293 1.096 -6.648) 7.118 5.428 ( -0.246 3.739 -5.610) 6.746 5.617 ( 3.057 -1.328 -5.045) 6.047 6.230 ( -0.492 3.271 2.975) 4.449 6.646 ( -0.678 5.537 0.911) 5.652 6.815 ( 3.870 -7.687 -2.888) 9.077 7.001 ( -0.653 -9.209 1.178) 9.307 7.411 ( -2.105 -1.224 6.430) 6.875 7.642 ( 1.018 -8.001 3.115) 8.646 7.940 ( -2.371 2.702 3.336) 4.904 8.135 ( 4.547 2.857 -4.432) 6.963 8.241 ( 5.051 -4.492 3.371) 7.553 8.316 ( -2.547 -3.276 2.661) 4.929 8.974 ( 1.354 1.681 1.258) 2.498 9.112 ( -5.758 -2.165 -5.017) 7.938 9.805 ( -1.254 11.802 -9.057) 14.930 9.872 ( 9.524 7.039 -7.601) 14.072 10.033 ( 2.917 2.906 -2.790) 4.974 10.308 ( -3.883 -17.838 -12.049) 21.873 10.466 ( -0.736 -4.090 -0.961) 4.265 10.985 ( 6.195 3.040 -4.722) 8.362 11.147 ( 1.867 6.129 -6.549) 9.162 11.297 ( 4.225 -1.299 -0.611) 4.462 11.577 ( -4.818 -1.940 -10.242) 11.484 11.721 ( -3.268 4.055 -0.388) 5.223 12.070 ( 0.537 -0.466 3.041) 3.123 12.471 ( -7.505 1.238 -4.442) 8.808 12.576 ( 3.406 -2.400 -1.641) 4.478 12.628 ( -0.294 1.994 4.204) 4.662 12.813 ( -8.541 3.374 11.012) 14.338 13.653 ( 8.321 -4.246 1.366) 9.441 14.998 ( -2.944 1.578 9.313) 9.894 16.068 ( -0.506 -0.392 -0.596) 0.875 16.813 ( -2.249 3.077 -2.368) 4.487 17.199 ( -1.614 4.847 -8.793) 10.169 ======================= Grid point 260 (124/282) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 2.176 13.020 11.972) 17.821 2.223 ( 6.438 14.979 14.247) 21.651 2.541 ( 1.680 -12.064 -3.325) 12.626 2.835 ( 4.411 -7.699 6.165) 10.805 3.103 ( -7.893 0.190 10.429) 13.081 3.178 ( 5.644 0.761 10.167) 11.653 3.563 ( -1.976 14.929 12.177) 19.366 3.664 ( 0.257 3.557 -0.871) 3.671 3.824 ( 1.939 4.678 -2.670) 5.724 4.068 ( -0.214 -1.639 -11.305) 11.425 4.371 ( 3.440 3.444 -2.002) 5.264 4.563 ( -2.540 -3.774 -3.550) 5.771 4.835 ( 0.326 -5.229 1.124) 5.359 4.978 ( 1.063 0.980 -7.033) 7.180 5.348 ( -0.333 -0.540 -6.770) 6.799 5.649 ( 7.887 1.884 -4.643) 9.344 6.224 ( 2.558 6.420 1.338) 7.039 6.559 ( -0.130 9.726 -2.921) 10.156 6.967 ( 3.681 -15.074 0.140) 15.518 7.084 ( -0.667 -9.902 2.236) 10.174 7.465 ( -1.171 -3.308 6.144) 7.076 7.739 ( -0.559 -7.869 2.631) 8.316 7.886 ( -4.194 2.941 0.059) 5.123 8.075 ( -1.520 4.259 -5.586) 7.187 8.357 ( 1.291 -3.429 2.034) 4.190 8.396 ( 6.731 -3.525 -0.017) 7.598 8.971 ( -7.367 -1.204 3.219) 8.130 9.082 ( 3.767 -1.889 4.979) 6.523 9.622 ( -1.677 7.705 -5.533) 9.634 9.873 ( 1.678 9.209 0.164) 9.362 10.056 ( 10.165 5.140 -4.531) 12.259 10.249 ( -5.004 -13.738 -10.300) 17.885 10.524 ( 1.122 -5.847 2.785) 6.572 10.946 ( 0.431 5.500 -6.913) 8.844 11.072 ( 6.955 4.599 -11.946) 14.568 11.342 ( 4.550 -0.591 -8.851) 9.969 11.435 ( -3.494 0.426 -3.799) 5.179 11.589 ( -3.406 1.745 -8.384) 9.216 12.124 ( -2.104 3.487 3.383) 5.294 12.237 ( -11.842 -0.362 -3.479) 12.348 12.574 ( -9.149 -0.724 4.213) 10.099 12.654 ( 0.218 -5.251 2.241) 5.714 12.793 ( -3.108 4.562 10.605) 11.955 13.840 ( 9.769 -1.916 2.102) 10.174 15.073 ( 2.747 1.832 8.803) 9.401 16.068 ( 3.228 1.502 -3.669) 5.113 16.697 ( -5.424 4.814 -3.164) 7.913 17.017 ( -5.319 6.016 -6.423) 10.283 ======================= Grid point 261 (125/282) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.697 7.457 15.552) 17.262 2.360 ( 2.332 9.993 14.669) 17.902 2.638 ( 5.520 -7.329 -0.763) 9.207 3.023 ( 5.772 -5.124 0.350) 7.727 3.098 ( -4.880 -0.847 12.937) 13.853 3.319 ( 1.368 1.617 8.582) 8.840 3.513 ( 0.191 7.114 -3.063) 7.748 3.662 ( 0.207 5.703 3.639) 6.768 3.835 ( 3.157 5.275 5.469) 8.229 3.982 ( 4.877 1.779 -8.952) 10.348 4.356 ( 3.084 7.680 -5.928) 10.181 4.562 ( -0.126 -9.355 -0.736) 9.384 4.837 ( -2.222 -4.116 -2.422) 5.268 4.958 ( 3.847 1.757 -4.033) 5.844 5.304 ( 1.026 -3.715 -6.227) 7.323 5.734 ( 11.719 3.352 -4.911) 13.141 6.243 ( 5.749 7.243 0.075) 9.247 6.461 ( 1.650 8.198 -4.550) 9.520 7.119 ( 1.304 -13.509 -0.070) 13.572 7.165 ( -1.286 -8.551 2.185) 8.919 7.534 ( -2.676 -6.021 4.588) 8.029 7.759 ( -4.390 -0.329 -2.725) 5.177 7.797 ( -3.937 -2.108 0.579) 4.503 7.939 ( -4.726 2.775 -4.189) 6.898 8.437 ( 3.177 -2.734 2.066) 4.673 8.510 ( 7.396 -2.456 -0.701) 7.825 8.926 ( -7.137 -3.936 7.931) 11.373 9.249 ( 4.967 -1.601 8.172) 9.696 9.537 ( 0.889 4.554 -0.576) 4.675 9.804 ( -4.049 9.242 4.854) 11.197 10.101 ( 0.681 -1.456 -5.148) 5.393 10.239 ( 9.213 -1.938 -5.980) 11.153 10.603 ( -1.557 -0.974 6.192) 6.459 10.802 ( -2.150 8.861 -7.906) 12.068 11.054 ( 8.336 1.076 -11.675) 14.385 11.215 ( -2.372 0.017 -11.015) 11.268 11.437 ( -1.412 -0.018 -14.849) 14.916 11.468 ( 5.684 0.705 1.422) 5.901 11.891 ( -10.433 1.470 -8.787) 13.719 12.208 ( -2.809 1.504 5.527) 6.380 12.434 ( -14.335 -0.801 3.946) 14.890 12.692 ( -3.347 -2.618 2.851) 5.117 12.888 ( 3.502 -2.203 9.406) 10.276 14.004 ( 7.443 0.057 2.752) 7.936 15.220 ( 7.597 1.716 7.358) 10.715 16.061 ( 6.029 3.783 -7.660) 10.456 16.519 ( -9.438 4.812 -1.840) 10.753 16.846 ( -5.412 5.366 -2.467) 8.010 ======================= Grid point 262 (126/282) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.293 2.482 15.122) 15.327 2.402 ( -6.905 3.382 13.630) 15.649 2.780 ( 4.920 -2.201 1.002) 5.482 3.065 ( -2.100 -2.861 4.893) 6.044 3.209 ( 4.920 -0.059 -1.786) 5.234 3.350 ( -3.910 3.043 2.081) 5.374 3.470 ( 2.563 0.677 1.923) 3.275 3.643 ( 1.652 4.869 0.271) 5.149 3.819 ( 0.552 2.607 -5.840) 6.420 4.084 ( 7.336 6.355 3.132) 10.199 4.270 ( 3.703 10.221 0.539) 10.884 4.659 ( 4.173 -8.914 -2.550) 10.167 4.828 ( -2.215 -6.737 0.417) 7.104 4.983 ( 5.311 1.390 -1.402) 5.666 5.311 ( 2.402 -5.511 -5.399) 8.080 5.840 ( 12.509 3.940 -6.683) 14.719 6.284 ( 7.332 7.807 -0.670) 10.731 6.403 ( 3.520 5.177 -4.671) 7.811 7.198 ( -5.245 -9.854 1.102) 11.217 7.218 ( 1.636 -6.225 -1.105) 6.530 7.503 ( -6.821 -3.907 -3.205) 8.489 7.690 ( -7.330 3.336 -1.122) 8.131 7.708 ( -2.435 -4.232 0.645) 4.925 7.869 ( -3.432 -2.713 0.129) 4.377 8.555 ( 5.229 -3.793 5.684) 8.604 8.672 ( 10.830 -3.213 0.848) 11.328 8.975 ( -5.472 -5.714 13.339) 15.509 9.332 ( -4.177 1.413 6.848) 8.145 9.586 ( 7.903 -0.493 -2.506) 8.305 9.703 ( -8.585 9.626 9.254) 15.875 10.082 ( 1.199 -4.044 -2.982) 5.166 10.350 ( 9.165 6.001 -1.594) 11.070 10.540 ( -6.239 13.390 -0.584) 14.783 10.648 ( -1.454 1.722 -2.478) 3.350 11.057 ( 8.569 1.897 -13.174) 15.830 11.124 ( -1.397 -2.717 -10.951) 11.369 11.289 ( 1.430 -1.465 -6.113) 6.447 11.577 ( 5.805 0.729 1.608) 6.068 11.715 ( 2.651 -2.715 -14.991) 15.464 12.173 ( -6.510 2.305 4.125) 8.044 12.249 ( -14.409 0.130 4.246) 15.022 12.666 ( -4.736 -1.522 2.226) 5.450 13.073 ( 4.255 -7.165 6.856) 10.791 14.116 ( 4.209 1.319 2.970) 5.318 15.417 ( 10.848 1.347 6.410) 12.672 16.062 ( 9.913 3.778 -9.852) 14.478 16.301 ( -13.864 3.583 0.094) 14.320 16.722 ( -4.123 5.823 0.592) 7.159 ======================= Grid point 268 (127/282) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.547 -0.000 2.464) 3.544 2.151 ( -0.730 0.000 0.674) 0.994 2.397 ( 2.720 0.000 1.009) 2.901 2.528 ( -1.979 -0.000 11.921) 12.084 2.968 ( 6.927 -0.000 10.918) 12.930 3.150 ( -9.725 -0.000 10.249) 14.129 3.730 ( -4.531 0.000 9.426) 10.459 3.743 ( 1.163 -0.000 -5.028) 5.161 3.862 ( 3.911 -0.000 -5.692) 6.906 4.097 ( -1.637 -0.000 -0.252) 1.656 4.554 ( -12.000 0.000 3.298) 12.445 4.572 ( 3.800 -0.000 -8.981) 9.752 4.622 ( 6.609 -0.000 3.864) 7.656 5.077 ( -2.483 -0.000 -6.779) 7.220 5.465 ( -1.809 -0.000 -9.318) 9.492 5.601 ( 3.873 0.000 -1.045) 4.012 6.257 ( 0.279 -0.000 6.047) 6.054 6.642 ( 1.604 -0.000 -0.201) 1.616 6.850 ( -0.271 -0.000 -0.502) 0.571 6.875 ( 0.211 0.000 -2.653) 2.661 7.411 ( -1.260 -0.000 6.338) 6.462 7.569 ( 1.161 0.000 2.766) 3.000 7.964 ( -2.387 0.000 3.482) 4.222 8.157 ( 5.178 -0.000 -3.669) 6.346 8.203 ( 4.656 -0.000 2.549) 5.308 8.291 ( -2.227 -0.000 3.231) 3.924 8.986 ( 2.078 -0.000 -0.300) 2.099 9.094 ( -7.105 0.000 -3.888) 8.099 9.935 ( 13.649 -0.000 -7.694) 15.668 9.990 ( 1.133 -0.000 -17.092) 17.129 10.061 ( -1.797 -0.000 -4.605) 4.943 10.064 ( -1.950 0.000 -3.962) 4.416 10.431 ( -2.633 -0.000 -1.669) 3.117 11.012 ( 6.341 -0.000 -4.959) 8.050 11.201 ( 0.997 -0.000 -4.381) 4.493 11.284 ( 5.274 -0.000 -1.462) 5.473 11.553 ( -5.173 -0.000 -11.009) 12.164 11.757 ( -4.374 -0.000 0.812) 4.449 12.068 ( 1.955 -0.000 3.291) 3.828 12.479 ( -8.978 -0.000 -2.996) 9.465 12.553 ( 3.934 -0.000 -2.589) 4.709 12.643 ( -2.987 -0.000 3.960) 4.960 12.852 ( -6.227 -0.000 8.171) 10.274 13.613 ( 8.630 0.000 3.624) 9.360 15.012 ( -3.031 -0.000 9.638) 10.103 16.063 ( -0.639 -0.000 0.329) 0.719 16.837 ( -2.165 -0.000 -2.230) 3.109 17.236 ( -1.341 -0.000 -8.771) 8.873 ======================= Grid point 270 (128/282) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 1.144 14.703 6.215) 16.004 2.301 ( 0.229 -12.902 2.642) 13.172 2.461 ( 8.180 9.381 6.139) 13.878 2.702 ( 4.339 -8.580 9.476) 13.499 3.104 ( -9.656 0.006 10.836) 14.514 3.186 ( 6.509 0.282 10.636) 12.473 3.683 ( -0.007 1.715 -7.213) 7.414 3.754 ( -2.110 6.444 11.762) 13.576 3.865 ( 2.784 0.154 -4.069) 4.933 4.029 ( -1.877 -2.148 -7.205) 7.749 4.421 ( -7.153 1.372 3.697) 8.168 4.562 ( 4.388 3.109 -6.225) 8.226 4.769 ( 5.759 -3.267 0.500) 6.640 4.983 ( -0.015 -0.096 -7.390) 7.391 5.348 ( -0.944 0.301 -8.869) 8.924 5.671 ( 7.672 0.737 -2.361) 8.061 6.311 ( 1.042 4.139 5.835) 7.229 6.678 ( 0.569 1.871 0.729) 2.088 6.803 ( 2.979 -0.346 -3.635) 4.713 6.927 ( -0.127 -10.290 -0.210) 10.293 7.458 ( 0.300 1.307 5.425) 5.588 7.630 ( 0.537 -5.122 2.508) 5.728 7.921 ( -4.938 1.306 -0.200) 5.112 8.119 ( -1.557 1.446 -5.798) 6.175 8.324 ( 2.001 -0.837 2.945) 3.658 8.350 ( 8.406 -1.945 0.079) 8.628 8.954 ( -9.199 -0.664 2.000) 9.437 9.059 ( 3.001 -0.941 6.055) 6.823 9.753 ( -2.276 8.115 -11.529) 14.281 10.013 ( 1.390 5.818 -1.162) 6.093 10.047 ( 0.862 -8.286 -6.534) 10.587 10.098 ( 10.039 -0.595 -3.965) 10.810 10.423 ( 0.785 -5.159 0.158) 5.221 11.009 ( 2.739 2.164 -7.676) 8.433 11.149 ( 3.090 3.784 -9.120) 10.346 11.336 ( 6.952 -0.257 -11.227) 13.208 11.412 ( -1.530 -1.865 -4.651) 5.239 11.621 ( -6.643 1.375 -6.501) 9.396 12.168 ( 2.278 1.985 5.668) 6.423 12.235 ( -16.404 -0.181 -3.315) 16.737 12.567 ( -7.482 -0.062 4.237) 8.598 12.586 ( -4.557 -2.900 3.922) 6.675 12.856 ( -1.609 2.614 6.382) 7.082 13.813 ( 10.327 -1.181 4.117) 11.180 15.098 ( 2.267 1.022 9.697) 10.011 16.076 ( 1.971 0.028 -0.675) 2.083 16.751 ( -4.932 1.870 -3.195) 6.166 17.082 ( -5.596 2.221 -8.128) 10.115 ======================= Grid point 271 (129/282) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.390 9.822 11.060) 14.797 2.390 ( -3.829 -7.832 4.713) 9.910 2.625 ( 11.847 7.503 7.450) 15.879 2.934 ( 7.475 -6.669 3.761) 10.700 3.079 ( -8.885 -1.035 14.726) 17.230 3.335 ( 2.221 0.544 5.774) 6.211 3.581 ( -0.859 2.208 -8.749) 9.064 3.768 ( 0.887 7.134 0.968) 7.254 3.896 ( 0.442 1.794 4.440) 4.809 3.984 ( 4.683 -0.755 -2.340) 5.290 4.403 ( -2.284 -5.540 3.865) 7.131 4.521 ( 3.493 7.091 -6.619) 10.309 4.811 ( 1.151 0.704 -3.885) 4.112 4.965 ( 4.464 -1.512 -4.825) 6.745 5.271 ( 1.023 -0.447 -6.923) 7.013 5.775 ( 10.969 1.695 -3.778) 11.724 6.347 ( 3.438 6.324 3.225) 7.887 6.604 ( -0.415 10.316 -1.951) 10.507 6.902 ( 2.642 -13.030 -1.359) 13.365 7.013 ( 0.258 -11.342 0.442) 11.353 7.499 ( -0.306 1.056 3.856) 4.010 7.697 ( -0.749 -5.729 1.509) 5.971 7.795 ( -6.608 0.731 -3.955) 7.736 7.985 ( -6.286 2.396 -5.395) 8.623 8.410 ( 4.885 -0.696 1.777) 5.244 8.470 ( 7.495 -2.525 -2.409) 8.267 8.883 ( -8.411 -1.570 9.633) 12.884 9.201 ( 3.651 -3.702 7.501) 9.127 9.604 ( -0.811 4.253 -4.545) 6.277 9.947 ( -3.356 5.131 1.262) 6.259 10.031 ( -1.222 -1.074 -2.472) 2.959 10.254 ( 15.017 1.511 -4.375) 15.714 10.532 ( 2.728 -7.500 4.696) 9.260 10.913 ( -1.113 5.174 -7.709) 9.351 11.088 ( 7.298 2.857 -13.317) 15.452 11.235 ( 0.500 1.319 -14.928) 14.995 11.440 ( -2.125 0.771 -9.909) 10.163 11.475 ( 5.080 -0.051 -0.183) 5.084 11.901 ( -16.890 0.480 -5.106) 17.651 12.239 ( -1.246 1.809 5.085) 5.539 12.427 ( -14.525 -0.177 5.059) 15.382 12.630 ( -2.622 -4.279 5.573) 7.499 12.892 ( 1.439 1.563 5.245) 5.659 14.000 ( 7.983 -0.389 3.815) 8.856 15.249 ( 6.937 1.789 8.623) 11.211 16.095 ( 2.641 0.922 -2.294) 3.617 16.590 ( -8.685 3.837 -3.620) 10.161 16.910 ( -5.379 2.790 -4.664) 7.646 ======================= Grid point 272 (130/282) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -2.030 4.710 12.595) 13.599 2.400 ( -9.304 -3.784 8.941) 13.447 2.797 ( 7.282 4.719 4.049) 9.575 3.023 ( -1.335 -2.501 5.021) 5.766 3.192 ( 2.631 -2.068 5.989) 6.860 3.369 ( -2.712 -0.582 1.074) 2.974 3.477 ( 0.593 0.510 -5.119) 5.178 3.729 ( 1.888 5.659 -1.665) 6.194 3.856 ( -0.655 2.302 -3.953) 4.621 4.162 ( 9.333 3.331 8.052) 12.769 4.437 ( 2.720 10.645 -2.397) 11.245 4.498 ( 1.226 -10.816 2.341) 11.134 4.780 ( 0.754 0.150 -3.213) 3.304 5.009 ( 5.283 0.507 -2.371) 5.813 5.246 ( 2.473 -1.882 -5.792) 6.573 5.891 ( 11.577 2.190 -5.676) 13.079 6.383 ( 4.485 5.238 0.125) 6.897 6.513 ( 2.126 9.475 -2.397) 10.002 7.001 ( -2.144 -13.567 -0.813) 13.760 7.112 ( 1.612 -9.554 -0.221) 9.692 7.466 ( -5.505 -0.042 -2.521) 6.055 7.660 ( -2.552 -1.625 -1.540) 3.395 7.726 ( -5.264 0.074 0.266) 5.271 7.835 ( -4.630 -1.144 -1.919) 5.141 8.509 ( 5.792 -2.105 1.141) 6.267 8.610 ( 8.616 -4.524 0.479) 9.743 8.911 ( -6.010 -2.490 14.826) 16.190 9.319 ( -1.618 -3.593 4.411) 5.915 9.559 ( 0.314 -0.211 -2.108) 2.141 9.872 ( -2.520 10.402 5.235) 11.915 10.019 ( 0.662 -2.843 -0.044) 2.920 10.418 ( 12.400 1.737 -3.230) 12.931 10.635 ( -3.145 2.030 6.489) 7.491 10.786 ( 1.554 8.751 -7.278) 11.488 11.037 ( 0.635 -1.830 -11.030) 11.199 11.113 ( 6.612 1.897 -11.635) 13.516 11.289 ( -0.623 1.062 -10.823) 10.893 11.589 ( 4.826 0.083 1.673) 5.108 11.668 ( -2.119 -2.296 -9.907) 10.388 12.201 ( -9.448 1.089 2.683) 9.881 12.250 ( -12.468 -0.382 5.194) 13.513 12.651 ( -3.338 -0.492 3.818) 5.096 12.986 ( 3.230 -3.767 4.249) 6.533 14.131 ( 4.349 0.570 3.539) 5.636 15.444 ( 10.059 1.947 7.340) 12.604 16.103 ( 4.050 1.573 -3.655) 5.678 16.365 ( -12.353 4.247 -2.885) 13.378 16.795 ( -3.155 3.514 -0.616) 4.762 ======================= Grid point 273 (131/282) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -4.362 -0.634 8.409) 9.494 2.354 ( -14.994 -3.676 14.602) 21.250 2.828 ( -0.254 3.561 -0.015) 3.570 3.107 ( 0.744 -1.891 7.105) 7.390 3.194 ( 0.017 1.038 -8.413) 8.477 3.271 ( -3.900 0.742 -5.801) 7.029 3.535 ( -0.756 -2.671 7.221) 7.736 3.700 ( 1.977 1.447 -5.391) 5.922 3.808 ( 0.971 5.404 1.109) 5.601 4.178 ( 1.979 12.541 -7.063) 14.529 4.507 ( 4.878 3.815 11.905) 13.420 4.647 ( 6.119 -7.315 -1.579) 9.667 4.777 ( -0.400 -4.288 2.484) 4.971 5.087 ( 6.511 1.120 1.532) 6.782 5.256 ( 2.690 -4.629 -5.367) 7.581 5.957 ( 7.743 3.081 -8.191) 11.685 6.395 ( 2.079 1.034 -2.098) 3.129 6.495 ( 6.593 9.712 -0.499) 11.749 7.023 ( -5.751 -11.237 -1.944) 12.772 7.200 ( 3.299 -6.212 -1.237) 7.141 7.340 ( -5.381 -2.171 -4.799) 7.530 7.604 ( -6.056 2.726 0.705) 6.679 7.660 ( -0.716 -2.300 0.670) 2.500 7.803 ( -2.886 -1.898 -0.086) 3.455 8.683 ( 9.327 -7.540 4.589) 12.841 8.799 ( 8.597 -6.936 1.578) 11.158 9.010 ( -4.482 -3.369 15.235) 16.234 9.291 ( -8.765 -2.152 3.873) 9.821 9.517 ( -5.208 -0.273 -1.510) 5.429 9.804 ( -1.709 11.671 3.834) 12.403 10.111 ( 5.396 -3.843 1.681) 6.834 10.521 ( 3.489 10.508 2.515) 11.355 10.563 ( -2.282 -2.539 -5.496) 6.470 10.610 ( -0.539 16.287 -3.601) 16.689 10.974 ( 5.084 3.320 -11.985) 13.436 11.152 ( 11.256 0.069 -8.656) 14.199 11.278 ( 3.225 -6.533 1.430) 7.424 11.559 ( 3.224 -4.854 -11.606) 12.987 11.734 ( 5.016 2.134 2.949) 6.198 12.002 ( -13.439 -0.513 -0.899) 13.479 12.176 ( -6.529 -1.231 4.568) 8.063 12.620 ( -3.106 2.122 1.921) 4.224 13.105 ( 1.440 -7.531 2.573) 8.087 14.190 ( 0.779 1.105 1.793) 2.246 15.667 ( 11.557 1.336 6.872) 13.512 16.090 ( -17.538 2.524 2.718) 17.926 16.149 ( 9.522 1.561 -8.285) 12.718 16.743 ( -0.399 5.450 2.413) 5.974 ======================= Grid point 280 (132/282) ======================= q-point: (-0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -3.628 -0.000 12.064) 12.597 2.239 ( 0.371 0.000 0.622) 0.724 2.728 ( 11.086 0.000 7.021) 13.123 2.849 ( 7.451 0.000 6.864) 10.131 3.071 ( -9.974 -0.000 14.836) 17.877 3.339 ( 2.095 0.000 5.058) 5.475 3.596 ( -0.667 -0.000 -9.876) 9.899 3.850 ( 3.259 0.000 -7.825) 8.477 3.882 ( -1.503 -0.000 5.544) 5.744 3.980 ( 4.451 0.000 5.239) 6.874 4.349 ( -5.841 -0.000 4.309) 7.258 4.589 ( 4.437 0.000 -7.050) 8.330 4.834 ( 4.465 0.000 -3.378) 5.599 4.934 ( 2.982 0.000 -5.929) 6.637 5.273 ( 1.396 0.000 -6.259) 6.413 5.787 ( 10.467 0.000 -3.585) 11.064 6.411 ( 0.568 0.000 7.454) 7.476 6.721 ( 2.099 0.000 0.550) 2.170 6.800 ( -0.087 -0.000 -3.940) 3.941 6.868 ( 2.579 0.000 -2.470) 3.571 7.525 ( 0.801 0.000 3.380) 3.473 7.636 ( 0.343 0.000 1.854) 1.886 7.801 ( -7.464 -0.000 -4.578) 8.756 8.004 ( -6.636 -0.000 -5.558) 8.656 8.409 ( 5.395 0.000 3.167) 6.256 8.446 ( 7.499 0.000 -4.561) 8.777 8.873 ( -8.657 -0.000 10.706) 13.768 9.167 ( 2.795 0.000 6.666) 7.228 9.647 ( -1.476 -0.000 -7.744) 7.884 9.922 ( -4.594 -0.000 0.609) 4.634 10.111 ( 2.595 0.000 1.320) 2.912 10.251 ( 13.879 0.000 -5.711) 15.008 10.452 ( 4.900 0.000 4.021) 6.338 10.954 ( -1.441 -0.000 -7.656) 7.790 11.116 ( 5.992 0.000 -13.726) 14.976 11.243 ( 2.791 0.000 -15.812) 16.056 11.456 ( -3.756 -0.000 -10.474) 11.127 11.466 ( 6.856 0.000 1.185) 6.957 11.907 ( -19.205 -0.000 -3.258) 19.479 12.253 ( -1.507 -0.000 4.613) 4.853 12.426 ( -14.688 -0.000 5.330) 15.625 12.592 ( -1.972 -0.000 7.112) 7.381 12.907 ( 0.924 0.000 3.237) 3.366 13.996 ( 8.220 0.000 4.362) 9.306 15.264 ( 6.620 0.000 9.126) 11.274 16.100 ( 1.528 0.000 -0.308) 1.559 16.622 ( -8.519 -0.000 -3.844) 9.346 16.931 ( -5.369 -0.000 -5.756) 7.872 ======================= Grid point 282 (133/282) ======================= q-point: (-0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -3.670 5.638 7.280) 9.912 2.314 ( -8.003 -6.114 11.442) 15.243 2.896 ( 5.880 6.816 3.421) 9.630 2.980 ( 2.114 -3.782 3.252) 5.417 3.154 ( -1.233 -2.064 15.665) 15.848 3.353 ( -1.648 -0.767 -1.865) 2.604 3.484 ( -1.126 0.248 -8.562) 8.639 3.793 ( 1.846 2.155 -8.380) 8.847 3.890 ( 0.956 1.690 1.191) 2.278 4.199 ( 8.480 1.897 13.005) 15.641 4.356 ( -0.928 -6.422 3.451) 7.349 4.563 ( 3.857 4.627 -7.189) 9.379 4.812 ( 1.119 2.880 -4.379) 5.359 4.978 ( 5.729 -3.184 -2.622) 7.060 5.257 ( 2.583 1.732 -3.579) 4.742 5.905 ( 10.490 -0.007 -5.717) 11.946 6.464 ( 0.703 4.770 4.592) 6.659 6.666 ( -1.151 8.091 -0.861) 8.217 6.824 ( 2.489 -6.695 -3.944) 8.160 6.943 ( 3.088 -10.627 -1.515) 11.169 7.487 ( -5.471 1.592 -4.124) 7.034 7.651 ( -1.159 0.381 -0.145) 1.229 7.698 ( -1.475 -2.450 0.591) 2.920 7.834 ( -8.057 0.362 -3.506) 8.794 8.492 ( 4.880 -0.205 -2.585) 5.526 8.550 ( 7.266 -2.630 2.057) 7.996 8.892 ( -6.117 -0.353 14.820) 16.037 9.256 ( 0.524 -2.964 2.216) 3.738 9.586 ( -0.747 2.198 0.029) 2.322 9.894 ( -1.670 -3.044 2.402) 4.222 10.117 ( 1.370 10.594 2.318) 10.931 10.378 ( 6.735 -6.176 -4.267) 10.085 10.651 ( 9.196 0.401 8.571) 12.577 10.832 ( -0.692 0.217 -9.506) 9.533 11.074 ( 5.661 3.494 -14.528) 15.979 11.129 ( 2.329 -0.138 -12.117) 12.340 11.316 ( -0.249 1.818 -9.754) 9.925 11.567 ( -4.420 -1.776 1.236) 4.922 11.664 ( 2.325 0.809 -4.642) 5.254 12.210 ( -9.547 0.092 3.088) 10.034 12.236 ( -15.723 -0.859 4.438) 16.360 12.648 ( -0.286 -0.032 6.035) 6.042 12.954 ( 2.307 -0.701 1.222) 2.703 14.135 ( 4.427 0.112 3.923) 5.917 15.468 ( 9.424 0.959 7.836) 12.293 16.115 ( 0.703 0.283 0.435) 0.874 16.416 ( -11.914 1.942 -4.356) 12.833 16.829 ( -2.395 1.040 -1.691) 3.111 ======================= Grid point 283 (134/282) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.236 0.287 5.408) 9.038 2.299 ( -16.111 -3.090 15.873) 22.827 2.898 ( 0.282 4.828 0.166) 4.840 3.079 ( 1.809 -1.481 4.259) 4.858 3.214 ( -1.495 1.380 -1.859) 2.756 3.277 ( -3.705 0.006 -5.890) 6.958 3.460 ( -2.667 -5.727 5.663) 8.485 3.710 ( 0.237 0.102 -9.536) 9.540 3.914 ( 2.411 7.248 4.894) 9.072 4.336 ( 5.424 5.134 -4.684) 8.816 4.496 ( 3.905 -2.532 -0.874) 4.736 4.551 ( 4.216 -2.167 10.254) 11.296 4.783 ( 0.995 0.866 -1.932) 2.340 5.088 ( 6.784 -0.802 1.728) 7.047 5.239 ( 1.293 2.110 -2.592) 3.583 5.978 ( 6.787 -0.355 -7.627) 10.216 6.433 ( -1.382 4.923 -0.964) 5.204 6.628 ( 2.810 5.140 0.861) 5.921 6.856 ( -0.396 -7.449 -4.106) 8.515 7.067 ( 4.240 -10.260 -1.419) 11.192 7.333 ( -5.252 0.463 -5.264) 7.450 7.632 ( -3.155 0.842 -0.093) 3.267 7.661 ( -1.752 2.225 0.931) 2.981 7.763 ( -1.577 -3.156 -0.026) 3.529 8.578 ( 5.391 -5.356 1.473) 7.740 8.707 ( 7.482 -4.474 1.122) 8.789 8.966 ( -4.437 -2.211 13.780) 14.644 9.244 ( -6.203 -2.901 -0.250) 6.852 9.563 ( -3.246 4.880 5.149) 7.802 9.953 ( 2.188 1.174 0.416) 2.517 10.074 ( 1.610 6.273 3.686) 7.452 10.470 ( 0.254 -8.095 -0.986) 8.159 10.663 ( 2.601 6.668 -5.237) 8.869 10.853 ( -3.058 12.587 -3.678) 13.465 10.989 ( 11.730 -1.675 -2.671) 12.146 11.127 ( 8.752 -2.626 -11.319) 14.547 11.246 ( 2.756 2.631 -3.964) 5.499 11.474 ( 0.371 -5.638 -8.709) 10.382 11.782 ( 4.453 3.408 6.252) 8.399 12.000 ( -13.095 0.166 -1.578) 13.191 12.113 ( -11.018 -5.556 3.109) 12.725 12.677 ( 0.013 4.023 2.919) 4.970 13.014 ( 1.840 -4.137 0.183) 4.531 14.201 ( 0.467 0.356 2.065) 2.147 15.688 ( 10.979 1.168 6.796) 12.965 16.110 ( -12.139 0.406 5.875) 13.492 16.181 ( -0.311 2.085 -9.014) 9.257 16.805 ( 0.427 2.627 2.241) 3.479 ======================= Grid point 284 (135/282) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -12.342 -3.792 2.986) 13.252 2.191 ( -21.661 -5.158 14.396) 26.515 2.852 ( -0.966 5.343 -0.431) 5.447 3.064 ( -1.411 -0.976 -11.685) 11.810 3.137 ( -5.798 2.328 -0.723) 6.290 3.203 ( -2.340 -1.088 5.847) 6.391 3.475 ( -11.432 -8.175 5.024) 14.925 3.648 ( 1.773 -2.031 -6.005) 6.583 3.926 ( 1.650 9.463 2.844) 10.018 4.247 ( 4.283 13.619 -7.526) 16.139 4.578 ( 4.096 -8.733 -3.035) 10.112 4.748 ( 2.420 4.351 4.879) 6.970 4.807 ( 2.157 -4.993 8.185) 9.827 5.171 ( 1.392 -0.042 -2.138) 2.552 5.275 ( 5.014 0.092 5.311) 7.304 5.947 ( 0.467 1.062 -9.518) 9.589 6.379 ( -1.840 -0.912 -0.550) 2.126 6.646 ( 0.947 2.371 0.601) 2.623 6.854 ( 0.965 -3.799 -4.724) 6.138 7.209 ( 6.724 -7.180 -1.558) 9.960 7.238 ( -1.569 -0.407 -2.246) 2.770 7.576 ( -1.673 2.283 1.931) 3.427 7.669 ( 1.659 0.830 0.280) 1.876 7.754 ( -1.667 -0.754 -0.365) 1.865 8.761 ( 4.601 -11.118 3.796) 12.617 8.876 ( 9.683 -9.015 -2.948) 13.554 9.041 ( -5.028 -4.197 10.910) 12.724 9.124 ( -10.755 -1.246 -0.622) 10.845 9.488 ( -8.897 6.775 8.653) 14.139 9.884 ( -1.818 11.023 0.783) 11.199 10.163 ( 4.855 -2.024 -2.402) 5.783 10.451 ( -2.225 -0.047 -3.191) 3.891 10.620 ( -0.921 10.798 -2.769) 11.185 10.729 ( 7.690 4.349 -0.526) 8.850 11.095 ( 11.951 8.941 -6.557) 16.302 11.231 ( 10.230 -1.917 -8.022) 13.141 11.321 ( 6.998 -6.746 5.056) 10.956 11.507 ( 6.945 -4.799 -5.888) 10.293 11.669 ( -21.805 -0.174 7.815) 23.164 11.915 ( -0.678 -0.706 -2.236) 2.441 12.106 ( 2.398 -5.081 2.482) 6.142 12.645 ( -0.630 6.846 0.587) 6.900 13.059 ( -1.400 -6.159 -0.697) 6.355 14.186 ( -2.473 0.467 -1.306) 2.835 15.833 ( -16.624 2.742 0.562) 16.858 15.924 ( 8.371 0.506 7.089) 10.981 16.234 ( 8.556 -2.016 -2.895) 9.254 16.835 ( 2.658 4.314 4.145) 6.546 ======================= Grid point 292 (136/282) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -8.305 -0.000 2.519) 8.678 2.273 ( -16.263 -0.000 18.332) 24.506 2.943 ( 0.189 0.000 0.027) 0.191 3.066 ( 2.894 0.000 1.511) 3.264 3.230 ( -2.634 -0.000 3.871) 4.682 3.273 ( -2.755 -0.000 -4.909) 5.629 3.406 ( -4.703 -0.000 2.496) 5.325 3.709 ( -0.388 -0.000 -10.308) 10.315 3.983 ( 4.149 0.000 5.290) 6.723 4.340 ( 1.643 0.000 -1.183) 2.024 4.476 ( 9.681 0.000 9.667) 13.681 4.572 ( 4.424 0.000 -6.578) 7.928 4.774 ( -1.674 -0.000 -2.170) 2.741 5.082 ( 7.836 0.000 3.884) 8.746 5.267 ( 0.245 0.000 -1.369) 1.391 5.968 ( 6.130 0.000 -7.475) 9.667 6.523 ( -2.153 -0.000 3.498) 4.108 6.593 ( -4.931 -0.000 -4.214) 6.486 6.877 ( 7.198 0.000 -2.123) 7.505 6.929 ( 5.228 0.000 -2.844) 5.951 7.338 ( -5.491 -0.000 -5.565) 7.818 7.640 ( -2.945 -0.000 -0.016) 2.945 7.700 ( 0.879 0.000 1.194) 1.483 7.718 ( -3.129 -0.000 -0.488) 3.167 8.535 ( 3.538 0.000 0.943) 3.661 8.671 ( 7.325 0.000 0.481) 7.340 8.948 ( -4.990 -0.000 13.124) 14.041 9.220 ( -4.435 -0.000 -0.672) 4.486 9.614 ( -3.142 -0.000 7.497) 8.129 9.917 ( 4.458 0.000 -0.502) 4.486 10.217 ( 0.833 0.000 3.173) 3.281 10.344 ( -1.281 -0.000 0.191) 1.295 10.721 ( 2.630 0.000 -10.989) 11.299 10.938 ( 8.760 0.000 9.648) 13.032 10.996 ( 0.884 0.000 -8.993) 9.036 11.085 ( 8.912 0.000 -14.055) 16.642 11.297 ( 5.679 0.000 -3.833) 6.851 11.412 ( -2.848 -0.000 -7.966) 8.460 11.816 ( 5.505 0.000 7.341) 9.176 12.003 ( -13.272 -0.000 -1.649) 13.374 12.058 ( -13.920 -0.000 2.382) 14.123 12.712 ( 1.320 0.000 3.813) 4.035 12.981 ( 1.918 0.000 -1.397) 2.372 14.203 ( 0.331 0.000 2.158) 2.183 15.698 ( 10.754 0.000 6.675) 12.657 16.112 ( -10.233 -0.000 6.386) 12.062 16.199 ( -4.060 -0.000 -8.435) 9.361 16.825 ( 0.779 0.000 2.129) 2.267 ======================= Grid point 293 (137/282) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -14.230 -1.360 3.409) 14.696 2.137 ( -23.428 -1.788 14.329) 27.521 2.927 ( 0.345 3.413 -2.602) 4.305 3.050 ( -2.039 -0.642 -7.301) 7.607 3.173 ( -4.768 1.618 -4.122) 6.508 3.200 ( -3.174 1.318 4.836) 5.933 3.340 ( -16.531 -7.536 8.981) 20.266 3.622 ( 0.835 -1.008 -7.045) 7.165 4.072 ( 3.904 7.577 3.837) 9.348 4.357 ( 4.920 -1.990 -7.783) 9.420 4.522 ( 5.765 3.821 -9.780) 11.979 4.728 ( 5.264 -1.777 11.553) 12.820 4.768 ( -0.568 -3.498 1.839) 3.992 5.219 ( 0.496 4.902 2.527) 5.537 5.273 ( 4.073 -1.287 6.429) 7.719 5.941 ( 0.028 -1.063 -8.659) 8.724 6.416 ( -4.283 6.102 -2.033) 7.727 6.550 ( -5.912 -10.130 -2.109) 11.917 6.925 ( 9.168 9.007 -2.097) 13.022 7.074 ( 8.484 -9.459 -1.399) 12.783 7.243 ( -1.845 0.241 -2.154) 2.847 7.603 ( -0.859 1.003 1.052) 1.688 7.692 ( 1.139 1.931 0.357) 2.270 7.733 ( 0.134 -1.769 0.178) 1.783 8.637 ( 3.522 -4.349 4.888) 7.431 8.774 ( 7.662 -3.629 -5.230) 9.961 8.990 ( -6.261 -1.873 11.029) 12.820 9.117 ( -8.325 -0.131 -0.110) 8.326 9.580 ( -9.408 3.980 7.388) 12.607 9.964 ( 4.232 -0.577 -7.846) 8.933 10.220 ( 2.496 9.779 6.500) 12.004 10.397 ( -2.030 -7.061 5.625) 9.253 10.714 ( 6.948 1.338 -5.303) 8.843 10.814 ( -1.425 5.963 -8.022) 10.097 11.115 ( 8.472 -4.038 -9.149) 13.107 11.253 ( 13.996 -0.672 7.401) 15.846 11.293 ( 5.136 6.200 -10.268) 13.048 11.439 ( 9.361 -4.083 -1.420) 10.311 11.675 ( -24.341 0.552 7.965) 25.617 11.868 ( -13.441 -3.472 1.540) 13.968 12.065 ( 12.703 -0.673 -0.041) 12.721 12.738 ( 0.520 3.965 1.071) 4.140 12.988 ( -0.122 -2.828 -2.536) 3.800 14.188 ( -2.777 0.030 -1.106) 2.989 15.866 ( -18.874 1.277 1.085) 18.948 15.929 ( 10.628 0.059 5.979) 12.195 16.210 ( 5.686 -0.852 -1.776) 6.017 16.878 ( 1.969 1.335 4.543) 5.128 ======================= Grid point 294 (138/282) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -20.505 -3.826 5.520) 21.577 1.879 ( -26.109 -5.644 5.304) 27.233 2.835 ( -8.230 3.459 -0.513) 8.942 2.920 ( -2.688 0.039 -8.115) 8.549 2.979 ( -17.426 -3.997 1.381) 17.931 3.219 ( -4.459 -1.437 8.666) 9.851 3.254 ( -10.899 -6.066 6.892) 14.251 3.604 ( 1.641 -2.987 -4.657) 5.771 4.030 ( 1.926 12.885 -4.727) 13.859 4.368 ( 7.151 6.277 -4.905) 10.705 4.512 ( 4.752 -5.131 -10.386) 12.520 4.818 ( 0.029 -0.886 3.911) 4.011 4.908 ( 2.961 -3.410 8.744) 9.841 5.172 ( -2.590 5.652 2.252) 6.612 5.413 ( 0.524 0.497 9.128) 9.156 5.829 ( -2.056 -0.566 -9.897) 10.124 6.322 ( -4.260 -1.187 0.180) 4.426 6.498 ( -7.257 -9.946 -3.315) 12.751 6.987 ( 10.463 10.069 -1.520) 14.601 7.220 ( 0.853 0.912 0.678) 1.421 7.284 ( 10.087 -7.458 0.034) 12.545 7.619 ( 2.106 2.162 1.778) 3.503 7.713 ( 1.407 1.136 1.069) 2.101 7.743 ( 1.644 0.198 -0.656) 1.781 8.757 ( 0.201 -5.708 2.160) 6.107 8.849 ( 2.260 -6.083 -8.332) 10.561 8.959 ( -8.938 0.095 1.507) 9.065 9.030 ( -4.061 -6.260 6.065) 9.616 9.474 ( -7.535 1.999 7.749) 10.992 9.914 ( 1.763 2.844 -6.843) 7.617 10.238 ( 0.173 11.586 4.900) 12.581 10.455 ( -0.693 2.271 4.742) 5.303 10.655 ( 4.520 6.106 -8.422) 11.342 10.856 ( 7.090 -1.825 -0.402) 7.333 11.201 ( 2.656 2.570 -5.784) 6.864 11.256 ( 6.128 -8.102 -5.656) 11.627 11.363 ( -14.017 -1.792 2.417) 14.336 11.538 ( 11.101 1.951 3.647) 11.846 11.634 ( 10.476 -1.440 3.511) 11.142 11.776 ( -5.312 -7.176 3.838) 9.718 12.257 ( 9.733 1.482 4.104) 10.666 12.687 ( -1.141 7.107 -1.289) 7.313 12.961 ( -3.715 -4.280 -2.978) 6.402 14.103 ( -4.363 0.060 -4.850) 6.524 15.569 ( -19.356 1.530 1.478) 19.472 16.144 ( 9.652 1.223 5.558) 11.204 16.324 ( 8.627 -3.754 -0.709) 9.435 16.943 ( 2.632 1.401 3.522) 4.614 ======================= Grid point 303 (139/282) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -20.672 -0.000 5.678) 21.437 1.833 ( -28.219 -0.000 6.117) 28.874 2.878 ( -16.228 -0.000 0.130) 16.229 2.917 ( -4.676 -0.000 -7.549) 8.880 2.928 ( -14.615 -0.000 -0.876) 14.641 3.202 ( -3.840 -0.000 5.496) 6.704 3.215 ( -8.126 -0.000 11.316) 13.932 3.579 ( 1.278 0.000 -4.740) 4.910 4.186 ( 2.938 0.000 -0.875) 3.066 4.310 ( 5.066 0.000 -12.902) 13.861 4.547 ( 8.595 0.000 -10.795) 13.799 4.778 ( -0.549 -0.000 5.067) 5.096 4.885 ( 3.085 0.000 8.669) 9.202 5.237 ( -3.071 -0.000 5.095) 5.949 5.412 ( -0.005 -0.000 10.105) 10.105 5.819 ( -2.194 -0.000 -9.632) 9.879 6.359 ( -8.206 -0.000 -0.695) 8.235 6.368 ( -3.523 -0.000 -4.403) 5.639 7.137 ( 10.716 0.000 -0.561) 10.730 7.144 ( 10.951 0.000 -1.569) 11.063 7.239 ( 1.068 0.000 2.449) 2.672 7.636 ( 2.757 0.000 0.980) 2.926 7.722 ( 1.510 0.000 0.975) 1.797 7.745 ( 1.394 0.000 0.129) 1.400 8.714 ( 1.028 0.000 6.266) 6.350 8.785 ( 6.218 0.000 -11.088) 12.713 8.967 ( -7.766 -0.000 8.132) 11.245 8.983 ( -9.760 -0.000 0.886) 9.800 9.493 ( -8.831 -0.000 4.596) 9.955 9.925 ( 3.258 0.000 -11.035) 11.506 10.396 ( 4.059 0.000 6.480) 7.647 10.426 ( -4.310 -0.000 15.381) 15.973 10.740 ( 1.819 0.000 -11.234) 11.380 10.803 ( 9.418 0.000 -4.926) 10.629 11.158 ( 8.816 0.000 -4.631) 9.958 11.244 ( -5.455 -0.000 -5.579) 7.803 11.353 ( -12.148 -0.000 0.172) 12.150 11.581 ( 15.544 0.000 3.702) 15.979 11.590 ( 0.345 0.000 0.427) 0.549 11.723 ( 0.830 0.000 9.374) 9.411 12.271 ( 10.487 0.000 4.059) 11.245 12.754 ( -1.093 -0.000 -0.892) 1.411 12.920 ( -2.776 -0.000 -4.354) 5.164 14.102 ( -4.475 -0.000 -4.709) 6.496 15.581 ( -19.647 -0.000 1.517) 19.706 16.156 ( 11.262 0.000 4.947) 12.300 16.292 ( 6.840 0.000 -0.212) 6.843 16.952 ( 1.108 0.000 3.770) 3.930 ======================= Grid point 304 (140/282) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -29.878 -4.068 -1.116) 30.174 1.526 ( -25.227 -2.573 10.020) 27.266 2.461 ( -40.228 -8.022 16.173) 44.093 2.779 ( -5.235 0.073 -4.590) 6.963 2.863 ( -1.038 0.852 -1.205) 1.805 3.194 ( -5.785 -0.519 7.112) 9.183 3.219 ( -6.145 -1.306 11.014) 12.680 3.566 ( 1.600 -2.021 -4.087) 4.832 4.090 ( 2.389 13.987 -10.889) 17.886 4.317 ( 4.013 -12.108 -13.537) 18.600 4.560 ( 7.333 6.814 -6.205) 11.778 4.832 ( 0.041 -2.499 3.028) 3.926 4.998 ( 2.060 -1.528 5.711) 6.260 5.228 ( -3.418 6.951 7.520) 10.796 5.414 ( -9.739 -1.126 5.580) 11.281 5.749 ( 4.011 -0.471 -6.874) 7.972 6.223 ( -8.423 -1.975 0.014) 8.652 6.306 ( -3.512 -5.436 -3.867) 7.539 7.221 ( 10.244 10.394 -0.217) 14.595 7.292 ( 4.238 2.122 4.403) 6.469 7.391 ( 10.346 -8.153 1.350) 13.241 7.689 ( 3.074 1.259 0.832) 3.425 7.749 ( 0.672 2.025 1.720) 2.741 7.782 ( 3.069 -1.406 0.482) 3.410 8.699 ( -4.454 2.468 -6.426) 8.199 8.768 ( -5.031 -1.981 4.569) 7.080 8.844 ( -7.477 0.157 0.995) 7.544 8.979 ( 2.591 -7.021 -1.085) 7.562 9.474 ( -0.664 -2.003 6.504) 6.838 9.854 ( 1.863 -0.564 -11.625) 11.787 10.411 ( -1.725 14.336 7.544) 16.292 10.510 ( -4.335 5.158 7.674) 10.212 10.652 ( 3.331 -4.704 -9.820) 11.387 10.887 ( 2.519 -0.469 -6.060) 6.579 10.978 ( -14.107 -4.065 -1.983) 14.815 11.290 ( 5.674 -5.875 2.724) 8.610 11.378 ( 10.886 1.355 -2.387) 11.227 11.553 ( -2.915 -5.216 5.957) 8.437 11.859 ( 15.825 0.928 0.268) 15.855 11.970 ( 13.096 2.317 10.151) 16.731 12.443 ( 6.004 1.397 5.555) 8.298 12.686 ( -2.554 4.530 -2.372) 5.716 12.826 ( -5.190 -3.072 -4.158) 7.326 13.969 ( -4.558 -0.043 -7.876) 9.100 15.310 ( -18.087 0.539 2.912) 18.328 16.344 ( 8.325 3.574 3.605) 9.751 16.425 ( 8.422 -4.127 0.710) 9.406 16.970 ( -0.642 -1.980 -3.242) 3.853 ======================= Grid point 314 (141/282) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -27.399 -0.000 3.678) 27.645 1.253 ( -25.895 -0.000 18.151) 31.623 1.999 ( -42.341 -0.000 29.529) 51.621 2.683 ( -3.676 -0.000 -0.696) 3.741 2.859 ( -0.630 -0.000 2.283) 2.368 3.175 ( -5.851 -0.000 7.218) 9.291 3.262 ( -2.813 -0.000 13.717) 14.003 3.544 ( 1.353 0.000 -3.326) 3.591 4.085 ( 1.320 0.000 -13.246) 13.312 4.140 ( 4.111 0.000 -18.398) 18.852 4.612 ( 3.599 0.000 -6.083) 7.068 4.866 ( 2.576 0.000 1.357) 2.911 5.058 ( 1.825 0.000 1.177) 2.172 5.285 ( -8.637 -0.000 3.028) 9.152 5.295 ( -3.150 -0.000 8.301) 8.879 5.763 ( 4.541 0.000 -5.542) 7.165 6.056 ( -9.776 -0.000 -1.312) 9.864 6.224 ( -1.402 -0.000 -2.915) 3.234 7.436 ( 8.804 0.000 5.167) 10.208 7.452 ( 9.556 0.000 -0.766) 9.587 7.502 ( 7.954 0.000 2.632) 8.378 7.729 ( 0.991 0.000 -0.299) 1.035 7.798 ( 0.687 0.000 2.453) 2.547 7.817 ( 1.427 0.000 2.675) 3.032 8.587 ( -5.575 -0.000 -1.163) 5.695 8.669 ( -9.430 -0.000 1.813) 9.603 8.811 ( -2.730 -0.000 5.023) 5.716 9.012 ( 9.379 0.000 -5.429) 10.837 9.568 ( 6.387 0.000 5.096) 8.171 9.746 ( -0.366 -0.000 -11.883) 11.888 10.403 ( -6.458 -0.000 -16.643) 17.852 10.463 ( -5.246 -0.000 -0.452) 5.265 10.623 ( -1.957 -0.000 9.599) 9.796 10.729 ( -11.093 -0.000 5.214) 12.257 10.948 ( 12.514 0.000 -11.499) 16.995 11.378 ( 1.621 0.000 7.726) 7.894 11.589 ( 1.275 0.000 7.606) 7.712 11.621 ( 17.633 0.000 1.905) 17.736 12.072 ( 10.861 0.000 -5.196) 12.040 12.237 ( 7.244 0.000 6.915) 10.014 12.540 ( 2.404 0.000 -0.419) 2.440 12.648 ( -0.817 -0.000 0.127) 0.827 12.729 ( -3.217 -0.000 3.303) 4.611 13.822 ( -2.753 -0.000 -9.762) 10.143 15.097 ( -14.454 -0.000 4.845) 15.245 16.522 ( 6.693 0.000 2.547) 7.161 16.522 ( 6.575 0.000 0.986) 6.649 16.761 ( -13.421 -0.000 -18.421) 22.792 ======================= Grid point 315 (142/282) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 10.590 0.000 23.764) 26.016 1.769 ( -5.299 -0.000 23.972) 24.551 2.681 ( -11.158 -0.000 36.510) 38.177 2.800 ( 4.075 0.000 1.898) 4.496 3.147 ( 4.323 0.000 3.147) 5.347 3.295 ( -0.647 -0.000 -0.856) 1.073 3.329 ( 2.091 0.000 -7.604) 7.886 3.527 ( 0.662 0.000 2.271) 2.365 3.577 ( -2.156 -0.000 -2.332) 3.176 3.782 ( -1.786 -0.000 3.234) 3.694 4.328 ( -1.496 -0.000 -9.175) 9.296 4.774 ( 5.047 0.000 -9.371) 10.643 4.797 ( -2.917 -0.000 -10.541) 10.938 5.256 ( 7.663 0.000 -7.862) 10.979 5.360 ( -5.224 -0.000 1.985) 5.588 5.472 ( 1.353 0.000 -9.498) 9.594 5.865 ( 0.332 0.000 0.337) 0.473 6.062 ( 0.682 0.000 -4.504) 4.555 7.471 ( -1.373 -0.000 -4.269) 4.485 7.579 ( 3.692 0.000 -4.483) 5.807 7.653 ( -1.441 -0.000 -2.525) 2.907 7.661 ( 2.480 0.000 -2.446) 3.483 8.006 ( -0.973 -0.000 4.564) 4.666 8.019 ( 0.803 0.000 4.210) 4.286 8.507 ( -2.207 -0.000 -0.077) 2.209 8.539 ( 0.202 0.000 -0.594) 0.628 9.014 ( -1.927 -0.000 8.209) 8.432 9.196 ( 2.860 0.000 6.249) 6.873 9.490 ( -3.143 -0.000 5.969) 6.746 9.764 ( -1.069 -0.000 6.262) 6.353 9.772 ( 0.392 0.000 -3.656) 3.677 10.092 ( -1.786 -0.000 -4.865) 5.182 10.587 ( -0.732 -0.000 4.275) 4.337 11.043 ( 11.640 0.000 -7.023) 13.595 11.107 ( -1.657 -0.000 6.425) 6.635 11.213 ( -4.493 -0.000 -12.728) 13.498 11.361 ( -8.097 -0.000 -21.574) 23.044 11.427 ( -5.469 -0.000 -7.048) 8.921 12.015 ( -14.201 -0.000 -2.032) 14.346 12.152 ( 17.240 0.000 -5.738) 18.170 12.762 ( -10.515 -0.000 1.734) 10.657 12.789 ( 10.505 0.000 2.738) 10.856 12.987 ( -11.351 -0.000 14.345) 18.293 13.664 ( 12.883 0.000 -2.724) 13.168 15.087 ( -0.082 -0.000 3.832) 3.833 15.592 ( -4.643 -0.000 -10.800) 11.755 16.641 ( -2.676 -0.000 0.722) 2.771 16.689 ( 1.091 0.000 0.687) 1.289 ======================= Grid point 316 (143/282) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.339 -2.144 19.871) 19.989 2.101 ( 12.390 -2.943 19.157) 23.004 2.841 ( 1.261 4.847 9.768) 10.977 2.941 ( 0.156 -7.832 13.952) 16.000 3.200 ( 4.582 -2.077 -6.859) 8.506 3.222 ( 0.601 6.337 -3.620) 7.323 3.331 ( 0.814 -6.137 -3.899) 7.316 3.569 ( -2.330 -0.254 6.446) 6.859 3.669 ( 6.120 -1.634 11.583) 13.202 3.786 ( -2.160 -0.571 5.567) 5.998 4.190 ( -4.164 -0.077 -9.690) 10.547 4.661 ( 0.719 1.081 -10.995) 11.072 4.768 ( 6.274 0.479 -9.313) 11.240 5.269 ( -3.048 5.677 1.159) 6.546 5.317 ( 10.795 -1.436 -14.687) 18.284 5.413 ( -0.077 1.242 -1.428) 1.894 5.919 ( 4.407 -2.800 -0.267) 5.228 6.066 ( 3.794 -3.746 -4.495) 6.974 7.387 ( -1.805 3.677 -3.356) 5.296 7.537 ( 0.403 6.681 -3.154) 7.399 7.628 ( -1.629 -5.058 -4.338) 6.860 7.668 ( -0.775 -3.963 -2.218) 4.607 7.994 ( -2.428 4.967 3.867) 6.747 8.050 ( -1.836 0.298 2.172) 2.859 8.506 ( 2.478 0.842 0.564) 2.677 8.560 ( 4.069 1.951 -0.329) 4.525 9.086 ( -0.535 -2.563 8.951) 9.326 9.277 ( 0.473 1.251 7.092) 7.217 9.532 ( -3.664 -0.839 10.425) 11.082 9.777 ( 1.109 2.474 4.145) 4.953 9.830 ( -0.277 -3.039 8.416) 8.952 10.091 ( 1.182 -5.566 0.316) 5.699 10.641 ( 1.187 -0.313 4.584) 4.745 10.906 ( -9.727 10.940 -14.463) 20.578 10.988 ( -7.146 2.726 -8.083) 11.128 11.087 ( 1.636 -5.316 -20.581) 21.320 11.207 ( 2.450 -3.747 -2.869) 5.318 11.369 ( 6.600 1.582 -3.253) 7.526 11.784 ( -13.040 -3.074 -4.420) 14.107 12.304 ( 9.253 1.097 -4.716) 10.443 12.597 ( -12.620 -1.087 1.894) 12.807 12.865 ( -6.946 0.676 6.247) 9.366 13.046 ( 5.028 1.035 10.012) 11.252 13.837 ( 11.598 -0.570 -1.591) 11.720 15.160 ( 4.574 -0.120 4.007) 6.082 15.522 ( 6.848 -3.701 -11.927) 14.243 16.576 ( -6.815 -0.377 0.881) 6.882 16.696 ( -2.411 -2.545 0.531) 3.546 ======================= Grid point 317 (144/282) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.629 -2.546 15.009) 15.236 2.454 ( 7.960 -3.486 14.595) 16.986 2.875 ( 2.186 5.040 0.670) 5.534 3.062 ( 3.923 0.682 -2.902) 4.927 3.191 ( -4.772 -2.297 5.702) 7.783 3.214 ( 4.323 -2.245 -7.573) 9.005 3.363 ( 2.782 -7.343 -4.532) 9.067 3.619 ( -2.625 0.369 9.994) 10.340 3.773 ( -2.832 -1.855 6.114) 6.989 3.989 ( 5.267 -1.493 12.375) 13.532 4.043 ( -0.453 -3.913 -4.006) 5.618 4.603 ( 5.729 1.515 -8.812) 10.619 4.784 ( 7.981 0.831 -7.612) 11.060 5.184 ( -2.853 8.863 3.903) 10.096 5.303 ( 8.839 3.214 -15.970) 18.534 5.473 ( 7.600 -3.071 -1.995) 8.436 6.021 ( 5.618 -4.538 -0.398) 7.232 6.139 ( 6.053 -5.503 -3.752) 9.000 7.307 ( -1.584 3.738 -1.927) 4.494 7.447 ( -2.699 5.481 -2.182) 6.487 7.568 ( -3.708 -1.678 -5.000) 6.447 7.656 ( -2.721 -4.090 -0.998) 5.013 7.936 ( -3.864 6.018 2.738) 7.658 8.005 ( -3.804 2.748 0.554) 4.725 8.588 ( 7.904 1.424 1.592) 8.188 8.626 ( 7.887 5.649 1.513) 9.819 9.210 ( 0.963 -3.641 9.031) 9.785 9.350 ( 1.317 -1.997 5.043) 5.581 9.572 ( -4.584 2.700 12.248) 13.353 9.845 ( -3.069 -1.295 12.497) 12.934 9.947 ( 2.965 -4.547 2.257) 5.878 10.202 ( 3.094 -4.241 6.926) 8.691 10.501 ( -9.272 6.371 -16.688) 20.126 10.720 ( -4.454 -0.335 7.423) 8.663 10.791 ( -1.689 -0.023 -11.747) 11.868 10.918 ( 0.087 -4.681 -21.445) 21.950 11.267 ( 5.952 0.261 -0.024) 5.958 11.456 ( 10.141 1.457 -7.853) 12.908 11.599 ( -7.521 -1.648 -2.627) 8.135 12.314 ( -3.315 2.715 1.288) 4.475 12.452 ( -10.660 -3.602 1.004) 11.297 12.795 ( -7.713 0.531 4.724) 9.060 13.211 ( 7.230 4.412 6.272) 10.539 13.985 ( 8.772 -1.646 -1.894) 9.124 15.312 ( 8.724 -0.670 5.973) 10.594 15.592 ( 12.773 -5.493 -12.613) 18.772 16.459 ( -10.883 -1.673 1.495) 11.112 16.672 ( -4.249 -3.776 0.584) 5.715 ======================= Grid point 318 (145/282) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -0.927 -1.090 10.616) 10.712 2.665 ( 1.435 -2.277 9.688) 10.055 2.852 ( -2.097 3.594 0.763) 4.231 3.029 ( 2.769 2.404 -11.744) 12.303 3.170 ( -3.214 -2.983 -1.833) 4.753 3.230 ( 2.326 -0.774 0.152) 2.456 3.454 ( 3.873 -9.669 -1.221) 10.487 3.654 ( -2.452 1.258 5.623) 6.261 3.745 ( -5.718 -0.518 0.238) 5.746 3.987 ( -0.954 -5.643 2.895) 6.414 4.336 ( 7.234 -7.511 13.499) 17.058 4.618 ( 8.427 4.996 -6.525) 11.771 4.868 ( 9.887 -0.816 -3.010) 10.367 5.135 ( 0.774 10.689 4.896) 11.782 5.260 ( 7.720 5.736 -10.695) 14.384 5.601 ( 10.041 -4.710 -6.796) 13.007 6.155 ( 6.478 -7.120 -0.016) 9.626 6.250 ( 6.567 -4.837 -1.945) 8.385 7.240 ( -2.620 2.174 -1.345) 3.661 7.325 ( -3.976 6.683 -2.058) 8.044 7.449 ( -5.443 1.398 -4.438) 7.161 7.630 ( -3.852 -2.668 0.656) 4.732 7.838 ( -4.986 6.263 1.093) 8.080 7.917 ( -4.920 2.878 0.038) 5.700 8.732 ( 12.445 5.783 0.501) 13.732 8.760 ( 11.924 6.057 3.800) 13.904 9.284 ( -2.638 0.327 4.739) 5.434 9.441 ( 3.126 -2.224 -2.548) 4.606 9.602 ( -4.448 4.304 13.959) 15.270 9.882 ( -13.058 -0.038 14.303) 19.367 9.992 ( 4.092 -3.302 -6.622) 8.456 10.278 ( -5.985 -10.118 -2.010) 11.926 10.370 ( 1.843 -5.370 8.525) 10.242 10.565 ( -4.595 0.798 -10.896) 11.852 10.711 ( 2.664 0.580 -14.574) 14.827 10.900 ( 6.689 -4.168 -0.556) 7.901 11.388 ( 8.258 1.215 -1.136) 8.424 11.425 ( -0.497 -3.317 -4.896) 5.934 11.591 ( 8.095 5.655 -2.163) 10.109 12.223 ( -9.821 -0.623 2.815) 10.235 12.332 ( -11.275 -2.296 4.794) 12.465 12.716 ( -5.117 1.478 0.588) 5.359 13.297 ( 4.533 8.352 2.378) 9.796 14.086 ( 5.534 -2.731 -3.682) 7.186 15.551 ( 11.513 -1.003 9.092) 14.704 15.735 ( 15.148 -5.599 -11.109) 19.602 16.305 ( -13.847 -2.673 2.743) 14.367 16.652 ( -3.393 -5.295 0.913) 6.355 ======================= Grid point 319 (146/282) ======================= q-point: (-0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -5.499 2.019 7.764) 9.726 2.733 ( -13.674 5.447 9.146) 17.330 2.762 ( 0.206 -2.836 -1.579) 3.253 2.898 ( 1.948 -0.350 -16.422) 16.541 3.126 ( -1.883 -2.577 -1.444) 3.503 3.307 ( 3.100 -0.840 4.126) 5.228 3.554 ( 0.664 -5.468 -2.439) 6.024 3.609 ( -2.600 1.572 -0.014) 3.039 3.745 ( 1.350 -6.388 1.934) 6.810 4.050 ( -3.939 -5.060 6.713) 9.283 4.560 ( 3.002 -4.239 2.975) 5.986 4.657 ( 6.585 2.742 0.428) 7.146 5.005 ( 7.919 2.750 1.758) 8.565 5.130 ( 4.009 6.330 -1.631) 7.668 5.268 ( 7.643 6.612 0.596) 10.124 5.694 ( 7.412 -4.017 -9.442) 12.658 6.329 ( 7.299 -9.839 0.409) 12.258 6.365 ( 5.367 -2.137 0.771) 5.828 7.116 ( -7.351 6.540 -2.489) 10.149 7.227 ( -0.514 3.518 -2.940) 4.613 7.326 ( -2.542 3.540 -1.502) 4.610 7.597 ( -3.478 -1.400 1.411) 4.006 7.729 ( -4.095 4.227 0.208) 5.889 7.820 ( -5.284 1.246 -0.207) 5.433 8.869 ( 12.542 8.572 -3.978) 15.704 8.930 ( 13.248 10.535 4.046) 17.403 9.239 ( -4.349 -0.261 -2.066) 4.822 9.311 ( -7.509 4.249 -9.547) 12.868 9.649 ( -3.030 4.202 12.645) 13.665 9.836 ( -9.596 -3.767 8.540) 13.387 10.009 ( -1.947 -6.156 -2.347) 6.870 10.286 ( 0.357 -6.773 -9.947) 12.039 10.413 ( -5.419 -12.230 5.044) 14.296 10.553 ( 2.598 -7.756 -3.242) 8.799 10.725 ( 12.949 3.644 2.839) 13.749 11.047 ( 7.831 -2.746 0.352) 8.306 11.365 ( 3.389 -2.352 -6.930) 8.065 11.522 ( 6.631 10.744 2.834) 12.940 11.703 ( 9.622 -3.894 1.673) 10.514 12.046 ( -16.410 0.996 2.173) 16.583 12.280 ( -6.609 -3.796 7.363) 10.597 12.629 ( -3.409 2.798 -1.308) 4.600 13.265 ( 0.638 10.654 -1.677) 10.804 14.112 ( 1.786 -2.727 -7.044) 7.762 15.819 ( 8.198 -0.915 7.012) 10.826 15.890 ( 10.727 -3.337 -4.837) 12.231 16.169 ( -8.472 -2.541 4.646) 9.991 16.683 ( 0.265 -7.065 1.112) 7.157 ======================= Grid point 320 (147/282) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -11.418 5.023 8.187) 14.921 2.423 ( -21.171 6.854 -2.310) 22.373 2.773 ( 2.880 -2.281 -8.725) 9.467 2.817 ( -1.434 -1.426 -2.823) 3.472 3.147 ( -1.637 -4.657 4.707) 6.821 3.393 ( -0.739 0.422 8.170) 8.214 3.494 ( 2.262 4.048 -8.695) 9.854 3.608 ( -4.817 -5.312 3.740) 8.087 3.834 ( -0.309 -4.862 -0.304) 4.881 4.084 ( -2.896 -5.495 5.840) 8.525 4.545 ( 3.679 9.411 -8.241) 13.040 4.786 ( -0.788 -8.862 7.978) 11.950 5.079 ( 4.036 8.252 4.780) 10.356 5.112 ( 2.837 2.149 -5.253) 6.345 5.403 ( 6.524 0.104 6.580) 9.266 5.690 ( 2.439 -1.714 -11.045) 11.440 6.444 ( 1.981 2.461 3.178) 4.481 6.527 ( 6.495 -11.302 0.678) 13.053 6.897 ( -6.946 10.435 -4.404) 13.287 7.180 ( -0.738 -1.209 -1.530) 2.085 7.315 ( 5.321 5.258 0.503) 7.497 7.584 ( -0.507 -0.968 0.882) 1.405 7.671 ( -0.901 0.498 0.115) 1.036 7.746 ( -3.780 -0.973 0.067) 3.904 8.830 ( 3.160 11.164 -13.140) 17.530 9.028 ( 1.957 7.209 0.612) 7.495 9.088 ( -6.484 1.267 -2.237) 6.975 9.184 ( 0.144 2.153 -1.701) 2.748 9.685 ( -0.555 6.017 7.400) 9.553 9.746 ( -2.560 -1.535 -8.715) 9.212 10.019 ( -5.285 -10.316 5.045) 12.641 10.277 ( -0.058 -7.464 -4.038) 8.487 10.467 ( 2.052 -4.251 -1.275) 4.890 10.689 ( 5.846 -11.184 1.491) 12.707 11.002 ( 10.244 -0.389 10.718) 14.831 11.174 ( 7.850 -2.289 -0.048) 8.177 11.436 ( 8.962 -1.468 -0.718) 9.109 11.544 ( 7.667 10.212 -1.338) 12.840 11.770 ( -17.174 3.046 0.866) 17.464 11.901 ( 2.843 -4.151 5.182) 7.222 12.313 ( -2.077 -0.558 10.248) 10.472 12.558 ( -1.762 0.277 -1.960) 2.650 13.136 ( -2.621 9.853 -4.455) 11.126 14.046 ( -1.369 -2.055 -10.471) 10.758 15.773 ( -12.359 -3.017 -1.320) 12.790 16.108 ( 7.553 0.764 10.579) 13.021 16.228 ( 9.349 0.826 0.149) 9.386 16.785 ( 4.333 -7.328 0.047) 8.513 ======================= Grid point 321 (148/282) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -24.180 8.718 -3.774) 25.979 2.086 ( -16.832 6.851 11.563) 21.540 2.734 ( 0.922 -1.624 -6.724) 6.979 2.808 ( -0.454 -1.965 0.744) 2.149 3.202 ( -5.800 -3.655 8.622) 11.016 3.347 ( -6.151 6.838 1.470) 9.315 3.496 ( 2.911 -0.811 1.106) 3.218 3.593 ( -8.218 -1.152 7.383) 11.107 3.764 ( -7.216 -0.716 -2.163) 7.567 4.196 ( 5.073 -8.518 0.442) 9.924 4.398 ( 1.789 11.521 -12.716) 17.252 4.884 ( -2.129 -4.019 4.383) 6.317 5.092 ( 1.243 2.462 0.260) 2.771 5.132 ( 0.548 -1.732 4.197) 4.574 5.521 ( -3.093 -4.356 2.369) 5.844 5.609 ( 3.931 1.814 -9.392) 10.342 6.436 ( -1.779 7.324 2.424) 7.918 6.572 ( -7.764 5.686 -2.133) 9.858 6.823 ( 7.329 -7.838 -0.176) 10.732 7.199 ( 1.789 -3.292 -0.000) 3.747 7.400 ( 9.416 5.054 1.437) 10.783 7.616 ( 2.256 -1.485 0.451) 2.738 7.693 ( 2.105 -2.856 -0.433) 3.574 7.734 ( 0.555 -1.222 1.619) 2.103 8.639 ( -2.981 1.821 -10.981) 11.524 8.939 ( -4.693 1.672 -2.668) 5.651 8.978 ( -8.241 1.543 2.697) 8.808 9.145 ( 1.468 8.591 -3.117) 9.256 9.627 ( 1.340 6.826 -4.533) 8.303 9.719 ( 2.111 0.931 -2.397) 3.327 10.105 ( -0.371 -12.200 -1.746) 12.330 10.281 ( 2.043 -6.513 -4.161) 7.994 10.586 ( 2.916 -7.305 7.705) 11.011 10.859 ( 5.302 -5.685 0.616) 7.798 11.088 ( -1.219 4.412 -1.487) 4.813 11.368 ( 7.542 -2.161 2.905) 8.366 11.446 ( -11.675 4.507 0.790) 12.540 11.607 ( 10.535 8.139 -0.151) 13.314 11.714 ( 13.342 -2.537 6.199) 14.929 11.919 ( -3.761 2.099 2.398) 4.929 12.448 ( 1.827 -1.081 13.500) 13.666 12.537 ( -0.578 -4.920 -2.361) 5.488 12.971 ( -3.834 7.288 -4.212) 9.249 13.909 ( -2.919 -1.330 -12.545) 12.948 15.571 ( -16.099 -2.050 1.807) 16.330 16.261 ( 2.979 -0.508 5.599) 6.363 16.390 ( 12.392 4.913 1.559) 13.421 16.885 ( 4.439 -3.573 -4.395) 7.197 ======================= Grid point 322 (149/282) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -23.328 9.999 3.069) 25.566 1.884 ( -19.808 7.259 16.442) 26.746 2.705 ( -0.599 -0.621 -1.376) 1.624 2.846 ( 0.630 -2.349 3.181) 4.005 3.071 ( -22.481 13.020 17.381) 31.257 3.288 ( -2.107 -4.173 0.809) 4.744 3.496 ( -5.506 4.276 1.450) 7.120 3.560 ( -4.864 -0.427 10.638) 11.705 3.681 ( -0.865 -5.249 -5.891) 7.937 4.191 ( 1.266 11.416 -15.578) 19.355 4.338 ( 6.700 -8.170 -4.172) 11.360 4.870 ( -1.776 1.072 -1.438) 2.524 5.090 ( 0.272 2.453 -0.486) 2.516 5.221 ( -2.832 -9.889 6.350) 12.088 5.413 ( -5.242 -1.093 -6.084) 8.104 5.625 ( 2.496 -1.427 -4.234) 5.118 6.334 ( -3.908 8.935 -4.308) 10.661 6.354 ( -8.890 8.830 2.255) 12.731 7.054 ( 9.079 -12.723 1.851) 15.739 7.284 ( 4.291 -5.600 0.666) 7.086 7.529 ( 10.409 5.671 0.958) 11.893 7.673 ( 2.044 -2.540 1.161) 3.461 7.754 ( 3.356 -2.074 0.041) 3.946 7.805 ( 3.786 -1.163 2.531) 4.700 8.536 ( -3.322 -5.523 -2.765) 7.014 8.827 ( -9.113 -1.670 0.574) 9.282 8.882 ( -2.422 2.518 -0.557) 3.537 9.060 ( 0.124 8.409 -1.265) 8.504 9.572 ( 2.666 3.064 -5.106) 6.524 9.705 ( 1.777 6.213 -0.593) 6.490 10.058 ( -4.484 -9.405 -12.454) 16.237 10.445 ( 11.513 -9.471 -1.905) 15.029 10.772 ( -0.648 -6.408 12.745) 14.280 10.867 ( -3.514 12.454 -5.650) 14.120 10.927 ( -10.323 -2.673 -2.369) 10.923 11.339 ( 3.050 -1.654 -0.639) 3.528 11.467 ( 3.422 3.444 1.239) 5.011 11.709 ( 11.515 5.987 -2.702) 13.257 11.831 ( 1.499 3.296 -1.595) 3.956 12.105 ( 12.329 -6.345 10.641) 17.478 12.527 ( -0.319 -1.173 1.379) 1.838 12.597 ( -0.590 -4.418 1.958) 4.869 12.873 ( -1.768 4.008 5.828) 7.291 13.745 ( -2.715 -0.382 -12.789) 13.079 15.363 ( -15.493 -0.712 3.437) 15.885 16.343 ( 1.582 -3.572 0.722) 3.973 16.529 ( 8.175 5.560 2.354) 10.163 16.846 ( 0.414 4.669 -11.427) 12.352 ======================= Grid point 323 (150/282) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -13.296 8.071 17.887) 23.704 1.721 ( -18.537 5.949 21.777) 29.210 2.694 ( -3.713 0.595 3.864) 5.391 2.783 ( -25.005 15.228 26.800) 39.691 2.923 ( 1.616 -1.941 5.084) 5.676 3.295 ( -3.403 -4.147 2.283) 5.830 3.412 ( -0.493 2.766 -3.052) 4.148 3.573 ( -3.904 -3.618 2.074) 5.712 3.684 ( -1.049 -2.829 2.033) 3.638 3.964 ( 1.069 10.933 -15.953) 19.369 4.423 ( 4.542 -5.523 -7.453) 10.329 4.819 ( -0.012 -0.057 -4.463) 4.463 5.043 ( -1.122 1.803 -4.617) 5.082 5.252 ( -3.353 -3.580 -1.176) 5.044 5.362 ( -1.415 -5.649 1.361) 5.980 5.601 ( 0.758 -2.746 -8.314) 8.788 6.111 ( -9.678 7.729 -1.331) 12.456 6.228 ( -2.337 7.412 -2.016) 8.029 7.298 ( 7.542 -12.010 1.084) 14.224 7.413 ( 5.257 -7.298 -0.572) 9.012 7.625 ( 8.757 7.497 -1.520) 11.627 7.730 ( 1.955 0.128 0.473) 2.016 7.817 ( 1.390 -2.706 2.593) 3.997 7.898 ( 3.461 -0.736 3.340) 4.866 8.543 ( -3.822 -7.351 2.379) 8.621 8.698 ( -9.589 -1.056 0.924) 9.691 8.882 ( 2.400 -0.420 2.610) 3.571 9.018 ( 2.524 6.389 0.781) 6.914 9.555 ( 1.307 -0.470 -3.881) 4.122 9.679 ( 2.616 8.098 1.169) 8.590 9.934 ( -4.407 -9.665 -12.576) 16.462 10.541 ( -8.600 14.259 -6.587) 17.907 10.687 ( 14.113 -5.755 -8.131) 17.275 10.722 ( -12.044 0.509 1.837) 12.194 10.952 ( -1.289 -3.770 11.435) 12.110 11.434 ( 2.580 -3.308 -5.587) 6.986 11.536 ( 8.809 -2.660 0.866) 9.243 11.783 ( 9.437 4.555 -8.066) 13.224 11.805 ( 0.194 -1.480 -5.860) 6.048 12.343 ( 2.371 -0.525 3.866) 4.565 12.503 ( -0.291 1.804 -2.305) 2.941 12.673 ( 6.344 -3.621 4.820) 8.751 12.949 ( -2.634 0.482 14.484) 14.729 13.597 ( -0.244 0.647 -11.282) 11.303 15.190 ( -11.894 0.092 4.112) 12.585 16.301 ( -11.683 -5.343 -10.863) 16.824 16.584 ( 2.272 4.293 0.535) 4.886 16.684 ( 4.632 11.294 -5.406) 13.350 ======================= Grid point 324 (151/282) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 1.440 3.632 26.262) 26.551 1.675 ( -12.558 3.438 24.951) 28.144 2.594 ( -20.832 7.365 33.974) 40.527 2.739 ( 0.247 2.063 5.346) 5.735 3.029 ( 3.129 -0.403 7.089) 7.759 3.296 ( -2.930 -3.189 2.258) 4.884 3.367 ( 1.869 0.387 -6.255) 6.540 3.548 ( -2.699 -2.958 -1.668) 4.338 3.680 ( -2.307 1.996 -3.948) 4.989 3.789 ( 0.740 5.056 -4.115) 6.561 4.413 ( 1.147 -1.861 -8.732) 9.002 4.789 ( 2.975 -1.522 -7.725) 8.417 4.940 ( -2.829 0.784 -7.937) 8.462 5.233 ( 3.090 -0.443 -4.772) 5.703 5.390 ( -3.479 -4.275 2.350) 5.992 5.541 ( 1.388 -2.529 -10.786) 11.165 5.927 ( -6.311 4.925 0.047) 8.005 6.126 ( -1.353 4.060 -3.747) 5.688 7.461 ( 3.363 -8.522 -2.110) 9.401 7.525 ( 4.328 -6.447 -2.966) 8.312 7.653 ( 5.551 6.988 -2.734) 9.334 7.713 ( -0.217 4.520 -1.808) 4.873 7.913 ( 1.143 -6.076 5.040) 7.976 7.977 ( 1.920 1.697 4.435) 5.122 8.543 ( -3.676 -3.829 0.742) 5.359 8.583 ( -5.758 0.865 0.217) 5.827 8.964 ( -1.624 -1.151 7.992) 8.236 9.074 ( 6.686 1.475 2.701) 7.360 9.517 ( -2.780 2.046 0.688) 3.519 9.709 ( 3.695 1.549 1.576) 4.305 9.834 ( -3.072 -6.229 -8.731) 11.157 10.248 ( -5.449 10.047 -7.740) 13.804 10.599 ( -5.898 0.675 3.108) 6.701 10.882 ( 13.828 -4.883 -6.269) 15.949 11.049 ( -1.050 -1.123 8.363) 8.503 11.374 ( -1.646 -0.638 -9.627) 9.788 11.583 ( -5.450 -1.762 -4.514) 7.293 11.660 ( -5.434 -4.460 -18.524) 19.814 11.919 ( 19.778 3.460 -4.306) 20.535 12.240 ( -11.204 3.713 -0.182) 11.805 12.596 ( 10.342 -0.875 1.334) 10.464 12.819 ( -0.312 -2.605 4.377) 5.103 13.008 ( -8.137 1.105 14.501) 16.665 13.545 ( 7.335 0.630 -7.087) 10.219 15.092 ( -5.965 0.113 4.186) 7.288 15.901 ( -17.576 2.661 -13.941) 22.591 16.623 ( 2.383 -0.840 1.402) 2.890 16.677 ( 3.310 5.964 -0.029) 6.821 ======================= Grid point 326 (152/282) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.728 0.000 14.703) 14.804 2.427 ( 8.670 0.000 15.107) 17.418 2.935 ( 5.985 0.000 -7.311) 9.448 3.022 ( -5.733 -0.000 15.666) 16.682 3.198 ( 4.878 0.000 -6.510) 8.135 3.229 ( 3.586 0.000 -9.235) 9.907 3.267 ( 0.699 0.000 -0.904) 1.143 3.621 ( -3.832 -0.000 11.793) 12.400 3.757 ( -1.586 -0.000 5.480) 5.705 3.978 ( 8.397 0.000 17.526) 19.434 4.015 ( -5.161 -0.000 -10.016) 11.267 4.612 ( 5.916 0.000 -8.672) 10.498 4.794 ( 8.058 0.000 -8.379) 11.625 5.267 ( -1.690 -0.000 3.507) 3.893 5.326 ( 11.562 0.000 -18.915) 22.169 5.444 ( 4.030 0.000 1.029) 4.160 5.988 ( 5.979 0.000 -0.532) 6.002 6.090 ( 6.260 0.000 -3.530) 7.187 7.340 ( -2.158 -0.000 -2.792) 3.529 7.496 ( -4.918 -0.000 -2.658) 5.590 7.546 ( -1.319 -0.000 -4.941) 5.114 7.621 ( -1.581 -0.000 -0.013) 1.581 7.986 ( -4.410 -0.000 1.923) 4.812 8.026 ( -3.906 -0.000 1.208) 4.088 8.598 ( 7.739 0.000 2.039) 8.003 8.677 ( 9.359 0.000 1.283) 9.447 9.169 ( 2.122 0.000 8.320) 8.587 9.335 ( -0.914 -0.000 4.861) 4.946 9.600 ( -4.066 -0.000 13.936) 14.517 9.845 ( -10.760 -0.000 20.338) 23.009 9.896 ( 8.389 0.000 -2.718) 8.818 10.160 ( 3.157 0.000 8.649) 9.207 10.577 ( -12.561 -0.000 -19.200) 22.944 10.719 ( -1.097 -0.000 7.682) 7.760 10.793 ( -4.840 -0.000 -13.020) 13.891 10.863 ( 0.851 0.000 -20.431) 20.449 11.266 ( 6.801 0.000 0.061) 6.801 11.457 ( 5.986 0.000 -10.845) 12.387 11.599 ( -2.347 -0.000 1.041) 2.568 12.354 ( 0.301 0.000 -1.449) 1.481 12.406 ( -13.564 -0.000 1.931) 13.701 12.799 ( -7.912 -0.000 4.965) 9.341 13.247 ( 8.334 0.000 6.459) 10.544 13.971 ( 8.569 0.000 -2.311) 8.875 15.308 ( 8.967 0.000 5.493) 10.516 15.548 ( 13.481 0.000 -12.434) 18.339 16.446 ( -10.840 -0.000 0.954) 10.882 16.640 ( -4.561 -0.000 1.085) 4.688 ======================= Grid point 327 (153/282) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 1.525 -0.321 10.255) 10.373 2.640 ( 3.179 -0.861 8.706) 9.309 2.909 ( 1.427 3.155 -5.686) 6.657 3.036 ( -6.955 -2.015 3.937) 8.242 3.157 ( 1.004 2.122 -9.226) 9.520 3.216 ( 3.830 -1.260 -3.299) 5.210 3.329 ( 4.038 -5.352 -0.371) 6.714 3.658 ( -5.761 -0.285 10.005) 11.549 3.773 ( -3.439 3.273 2.952) 5.590 3.894 ( -1.905 -5.449 -2.551) 6.311 4.268 ( 6.894 -1.803 14.203) 15.891 4.671 ( 10.219 1.754 -4.808) 11.429 4.856 ( 9.371 -0.404 -5.548) 10.898 5.287 ( 4.322 7.080 -1.530) 8.435 5.323 ( 8.504 2.314 -6.973) 11.238 5.534 ( 7.425 -3.698 -4.377) 9.379 6.083 ( 5.878 -2.073 -0.074) 6.233 6.181 ( 7.322 -3.204 -2.008) 8.241 7.268 ( -3.755 1.180 -1.862) 4.354 7.394 ( -3.794 2.464 -1.806) 4.871 7.452 ( -4.831 -0.652 -4.483) 6.622 7.603 ( -2.213 -0.786 0.810) 2.485 7.909 ( -5.789 2.560 0.623) 6.360 7.951 ( -6.094 1.257 0.368) 6.233 8.775 ( 12.673 1.117 1.875) 12.859 8.861 ( 13.858 4.638 3.251) 14.971 9.290 ( 2.052 1.046 3.785) 4.431 9.370 ( 1.624 -5.090 1.596) 5.576 9.663 ( -5.809 2.718 16.933) 18.107 9.871 ( -16.014 -1.226 23.811) 28.721 9.958 ( 4.236 -1.155 -9.899) 10.829 10.194 ( -12.579 -0.900 -11.610) 17.141 10.301 ( 0.275 -2.938 9.963) 10.391 10.564 ( -3.098 -0.999 -19.710) 19.977 10.753 ( 5.353 4.531 -5.286) 8.782 10.830 ( 5.744 -4.835 0.188) 7.510 11.360 ( 1.751 -1.875 -12.892) 13.145 11.403 ( 8.837 -0.549 2.634) 9.237 11.679 ( 7.499 3.772 0.429) 8.405 12.223 ( -11.415 0.392 2.120) 11.617 12.299 ( -10.207 -1.547 3.956) 11.055 12.733 ( -3.990 0.579 0.631) 4.081 13.396 ( 5.991 3.711 3.172) 7.729 14.050 ( 5.331 -1.500 -4.424) 7.088 15.543 ( 12.252 -0.137 8.875) 15.129 15.674 ( 16.717 -2.089 -11.311) 20.292 16.275 ( -13.459 -1.074 1.955) 13.643 16.589 ( -4.407 -2.359 1.249) 5.152 ======================= Grid point 328 (154/282) ======================= q-point: (-0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -1.137 2.288 7.249) 7.686 2.720 ( -0.139 -2.174 1.132) 2.454 2.823 ( -8.377 5.464 4.226) 10.858 2.905 ( -1.336 1.396 -15.095) 15.218 3.071 ( -4.679 -4.547 -2.706) 7.063 3.280 ( 4.950 -2.418 -0.818) 5.569 3.449 ( 2.461 -5.234 4.585) 7.381 3.670 ( -0.972 -2.293 -0.202) 2.499 3.687 ( -3.140 5.716 3.520) 7.411 3.943 ( -4.202 -8.567 6.007) 11.275 4.473 ( 2.142 -3.891 9.115) 10.140 4.754 ( 9.657 6.385 -4.693) 12.492 4.984 ( 9.321 -3.196 -1.488) 9.965 5.263 ( 5.690 7.856 -5.628) 11.215 5.389 ( 7.522 8.731 1.310) 11.599 5.632 ( 6.553 -4.524 -4.741) 9.268 6.202 ( 5.789 -5.938 0.070) 8.293 6.312 ( 6.741 -4.182 0.464) 7.946 7.169 ( -5.745 1.670 -1.232) 6.108 7.293 ( -3.897 3.668 -4.152) 6.773 7.360 ( -1.012 1.064 -1.360) 2.001 7.582 ( -2.240 -0.608 1.244) 2.633 7.791 ( -6.135 3.417 -0.460) 7.038 7.838 ( -7.437 0.982 0.043) 7.502 8.967 ( 13.678 3.925 -1.634) 14.323 9.070 ( 13.039 6.418 2.900) 14.819 9.261 ( -1.525 4.100 -1.773) 4.719 9.369 ( -4.403 2.453 -12.198) 13.198 9.689 ( -6.110 -0.253 5.479) 8.211 9.814 ( -12.388 0.999 20.815) 24.243 9.905 ( -7.323 -6.537 4.966) 11.001 10.121 ( 0.356 -9.554 -0.458) 9.571 10.318 ( -0.889 -2.585 -10.975) 11.310 10.443 ( 1.400 -6.206 -2.934) 7.005 10.811 ( 10.456 6.539 2.056) 12.503 10.990 ( 8.018 -4.551 1.055) 9.280 11.324 ( 5.859 -2.515 -8.711) 10.795 11.602 ( 9.604 -0.803 6.635) 11.700 11.722 ( 5.489 6.229 -3.744) 9.107 12.071 ( -12.865 2.137 2.693) 13.316 12.203 ( -9.612 -5.345 7.103) 13.093 12.677 ( -1.613 2.659 -1.042) 3.280 13.417 ( 1.183 8.257 -0.866) 8.386 14.065 ( 1.888 -3.045 -7.660) 8.456 15.806 ( 8.058 -0.804 -1.924) 8.324 15.851 ( 12.814 -1.590 5.058) 13.868 16.136 ( -5.889 -1.568 3.431) 6.994 16.584 ( -0.964 -5.173 1.028) 5.362 ======================= Grid point 329 (155/282) ======================= q-point: (-0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -6.352 6.751 6.853) 11.528 2.540 ( -16.985 8.029 -4.020) 19.212 2.736 ( 0.865 -2.331 -6.119) 6.605 2.801 ( -0.834 -0.754 -4.550) 4.687 3.046 ( -3.987 -8.512 0.898) 9.442 3.374 ( 2.963 -2.020 3.457) 4.982 3.537 ( 0.434 -0.411 3.360) 3.413 3.594 ( -2.540 4.799 0.211) 5.434 3.748 ( 2.887 -5.344 -0.298) 6.082 3.991 ( -5.975 -7.182 8.123) 12.380 4.587 ( -0.831 -4.559 5.665) 7.319 4.760 ( 4.853 6.961 -5.588) 10.160 5.103 ( 4.595 -1.982 -3.124) 5.899 5.244 ( 4.760 10.032 0.063) 11.104 5.438 ( 4.149 4.311 1.593) 6.192 5.680 ( 3.136 0.423 -4.543) 5.537 6.353 ( 5.003 -10.672 0.478) 11.796 6.444 ( 4.327 -2.336 3.131) 5.829 7.030 ( -6.878 6.174 -2.809) 9.660 7.173 ( -3.032 0.505 -3.030) 4.316 7.379 ( 6.110 3.076 -0.557) 6.864 7.577 ( -0.254 0.031 1.352) 1.376 7.687 ( -3.638 1.262 -0.667) 3.908 7.727 ( -6.295 -1.178 0.051) 6.404 8.977 ( -7.557 5.907 -18.437) 20.783 9.074 ( 2.968 2.534 -4.794) 6.182 9.109 ( -7.547 0.893 0.456) 7.613 9.299 ( 9.678 10.838 -0.575) 14.542 9.666 ( 0.311 -3.847 -6.632) 7.673 9.838 ( -7.596 5.060 21.453) 23.314 9.882 ( -4.871 -4.087 1.479) 6.529 10.148 ( 0.355 -7.713 -7.923) 11.063 10.400 ( 3.780 -5.258 5.266) 8.346 10.513 ( 7.416 -10.548 -3.240) 13.295 11.014 ( 11.478 1.396 9.481) 14.952 11.129 ( 6.055 -2.921 -0.556) 6.746 11.406 ( 8.726 -2.275 -2.271) 9.299 11.690 ( 5.800 7.927 -3.727) 10.505 11.811 ( -1.432 -1.467 -0.105) 2.053 11.861 ( -7.489 3.186 9.061) 12.180 12.242 ( -2.144 -7.046 7.483) 10.499 12.618 ( -1.197 5.399 -0.348) 5.541 13.296 ( -3.787 10.468 -3.972) 11.820 14.002 ( -1.350 -3.518 -10.950) 11.580 15.730 ( -12.064 -2.436 -1.123) 12.358 16.112 ( 6.303 -0.161 11.642) 13.240 16.247 ( 14.548 1.467 -0.218) 14.624 16.669 ( 4.784 -7.255 0.287) 8.695 ======================= Grid point 330 (156/282) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -19.636 11.234 -4.619) 23.089 2.221 ( -11.808 10.470 9.732) 18.540 2.709 ( 2.445 -2.040 -7.414) 8.069 2.766 ( -3.256 -3.291 0.983) 4.733 3.082 ( -3.582 -10.717 1.935) 11.465 3.447 ( -7.310 2.945 13.054) 15.248 3.499 ( 5.814 4.110 -8.524) 11.107 3.588 ( -2.690 0.847 7.093) 7.633 3.763 ( -3.617 -0.983 -2.208) 4.350 4.070 ( 0.212 -7.703 6.084) 9.818 4.564 ( 0.386 8.754 -8.711) 12.356 4.766 ( -2.489 -7.426 5.685) 9.678 5.092 ( -0.572 0.664 -3.867) 3.965 5.240 ( 2.277 9.739 2.507) 10.311 5.465 ( -1.723 -2.590 -1.217) 3.340 5.651 ( 2.455 3.823 -4.349) 6.289 6.501 ( -0.398 -8.451 2.274) 8.760 6.525 ( 1.838 -0.451 2.519) 3.151 6.836 ( -4.073 7.099 -4.337) 9.262 7.145 ( -0.317 -3.346 -0.545) 3.405 7.469 ( 8.840 3.875 0.399) 9.660 7.594 ( -0.244 -1.274 1.506) 1.988 7.650 ( 0.159 -2.612 -1.857) 3.209 7.712 ( 2.025 -1.639 1.517) 3.014 8.644 ( -10.254 -0.735 -13.031) 16.597 8.939 ( -11.672 -1.649 0.017) 11.788 9.042 ( 0.458 6.508 -4.624) 7.996 9.282 ( 0.764 8.401 -3.336) 9.071 9.627 ( 2.561 -3.449 -11.047) 11.853 9.847 ( 2.264 9.283 4.071) 10.386 9.959 ( 2.656 -3.296 2.656) 4.997 10.164 ( -2.212 -8.386 2.620) 9.060 10.491 ( 6.656 -5.333 -2.775) 8.969 10.739 ( 5.666 -8.644 4.450) 11.253 11.155 ( 1.885 3.745 0.206) 4.197 11.288 ( 2.994 -6.119 3.643) 7.725 11.525 ( 0.522 1.824 -0.171) 1.905 11.661 ( 6.630 1.043 5.968) 8.981 11.751 ( 9.030 6.864 -0.250) 11.346 11.942 ( -0.142 0.952 1.919) 2.147 12.373 ( 1.224 -7.718 7.464) 10.806 12.558 ( -1.479 6.137 2.250) 6.701 13.097 ( -6.021 9.106 -3.793) 11.557 13.874 ( -3.048 -3.336 -12.810) 13.584 15.538 ( -15.265 -2.027 2.384) 15.583 16.252 ( 1.129 -0.734 5.960) 6.110 16.468 ( 14.858 4.944 1.663) 15.747 16.815 ( 7.946 -5.358 -2.689) 9.954 ======================= Grid point 331 (157/282) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -19.196 13.880 1.135) 23.715 2.040 ( -15.068 12.724 14.216) 24.312 2.697 ( 0.331 -0.379 -1.310) 1.403 2.785 ( -0.466 -5.904 1.639) 6.145 3.119 ( -5.382 -9.479 2.795) 11.253 3.328 ( -10.033 11.410 7.564) 16.972 3.536 ( 2.787 1.320 -0.360) 3.105 3.586 ( -10.217 3.909 11.733) 16.042 3.663 ( -1.232 1.616 -2.064) 2.896 4.207 ( 4.559 -8.470 -0.052) 9.619 4.363 ( -0.208 11.074 -14.349) 18.127 4.837 ( -3.916 -6.430 3.975) 8.513 5.049 ( -2.979 -3.994 0.667) 5.027 5.208 ( 0.111 6.115 -0.367) 6.127 5.392 ( -4.892 -1.345 -3.543) 6.188 5.624 ( 2.463 1.520 -6.105) 6.756 6.454 ( -9.600 3.308 -1.090) 10.213 6.483 ( -2.002 8.903 0.048) 9.126 6.863 ( 6.512 -10.663 1.090) 12.542 7.192 ( 1.635 -6.096 0.341) 6.321 7.596 ( 8.914 2.398 2.304) 9.514 7.616 ( -1.612 -4.113 2.964) 5.320 7.710 ( 6.806 -3.365 -3.660) 8.428 7.798 ( 4.760 0.224 2.362) 5.318 8.447 ( -7.067 -5.430 -4.596) 10.028 8.783 ( -11.270 -3.621 0.265) 11.840 8.948 ( -1.043 5.160 -2.753) 5.941 9.181 ( -0.555 6.965 -3.445) 7.790 9.581 ( 1.950 -1.178 -8.407) 8.710 9.853 ( 3.186 11.018 3.245) 11.920 9.940 ( -3.560 -5.695 -10.040) 12.079 10.309 ( 9.823 -6.681 1.004) 11.922 10.657 ( 4.909 -8.547 5.294) 11.188 10.841 ( -3.551 -5.025 0.407) 6.167 11.072 ( -1.892 10.224 -5.820) 11.915 11.278 ( -4.114 -4.754 0.170) 6.290 11.531 ( 3.549 4.342 1.283) 5.753 11.837 ( 9.945 9.663 -4.739) 14.654 11.883 ( -0.257 2.861 -1.397) 3.195 12.011 ( 15.250 -5.679 11.227) 19.770 12.488 ( 0.935 -5.879 0.415) 5.967 12.549 ( -1.962 1.181 6.416) 6.812 12.950 ( -3.783 5.839 3.417) 7.751 13.725 ( -2.584 -2.399 -12.415) 12.906 15.352 ( -14.689 -0.636 4.464) 15.366 16.295 ( -1.453 -2.722 0.692) 3.162 16.624 ( 8.458 6.422 2.190) 10.843 16.897 ( 7.213 1.717 -8.422) 11.221 ======================= Grid point 332 (158/282) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -11.625 13.238 13.776) 22.364 1.869 ( -15.030 13.013 19.182) 27.625 2.697 ( -1.237 -0.100 2.184) 2.512 2.869 ( 2.039 -5.251 3.449) 6.605 3.057 ( -17.599 13.437 20.529) 30.195 3.202 ( -3.170 -2.708 -0.522) 4.202 3.461 ( -5.295 3.668 -0.035) 6.441 3.552 ( -0.786 1.672 1.888) 2.642 3.680 ( -1.237 1.183 6.737) 6.951 4.126 ( 0.167 10.074 -16.577) 19.399 4.318 ( 4.384 -7.495 -4.581) 9.817 4.810 ( -3.164 -1.579 -2.313) 4.226 5.056 ( -2.301 -2.419 -2.119) 3.954 5.159 ( -4.124 -4.357 1.623) 6.215 5.324 ( -0.322 0.042 -2.063) 2.089 5.567 ( 1.334 -1.066 -10.795) 10.930 6.238 ( -9.146 7.765 -2.152) 12.189 6.366 ( -2.552 9.870 -1.707) 10.337 7.094 ( 6.800 -14.262 2.541) 16.003 7.287 ( 2.716 -8.474 0.241) 8.902 7.669 ( -1.273 -6.196 4.460) 7.740 7.727 ( 9.950 5.357 -1.462) 11.395 7.806 ( 4.809 -2.201 -0.714) 5.337 7.875 ( 2.741 -0.354 1.941) 3.377 8.415 ( -3.211 -8.479 1.683) 9.222 8.659 ( -9.202 -3.898 0.349) 10.000 8.903 ( 0.091 2.582 2.114) 3.339 9.111 ( 1.567 5.405 -2.280) 6.072 9.552 ( 2.036 -0.094 -4.116) 4.593 9.805 ( -6.059 -4.660 -8.489) 11.423 9.833 ( 2.145 9.560 0.715) 9.823 10.529 ( 11.557 -8.942 -3.857) 15.113 10.713 ( -8.238 -0.884 -1.708) 8.460 10.835 ( -5.037 15.404 -8.623) 18.357 10.866 ( 1.622 -6.256 6.540) 9.195 11.321 ( 3.757 -9.016 -5.828) 11.374 11.557 ( 2.251 3.836 2.081) 4.910 11.739 ( -3.262 -0.349 -7.831) 8.491 11.943 ( 10.782 9.362 -3.747) 14.763 12.314 ( 6.953 -3.127 4.268) 8.737 12.526 ( -2.393 1.484 0.481) 2.857 12.596 ( 5.423 -6.127 3.927) 9.076 12.969 ( -2.062 2.148 12.821) 13.162 13.602 ( -0.041 -0.457 -10.217) 10.227 15.195 ( -11.816 0.670 5.312) 12.973 16.236 ( -7.509 -3.172 -6.385) 10.354 16.667 ( 2.035 6.090 0.577) 6.447 16.854 ( 5.900 9.868 -8.749) 14.448 ======================= Grid point 333 (159/282) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.882 8.594 23.940) 25.451 1.784 ( -10.581 10.673 22.834) 27.336 2.694 ( -4.294 2.063 6.938) 8.416 2.878 ( -10.726 14.587 20.160) 27.097 3.020 ( 1.351 1.084 12.624) 12.743 3.202 ( -0.972 -7.503 -3.157) 8.198 3.379 ( -1.279 1.417 -2.644) 3.261 3.540 ( -1.185 2.247 2.234) 3.383 3.705 ( -3.167 1.520 5.555) 6.572 3.903 ( 0.862 8.416 -14.269) 16.588 4.359 ( 2.196 -4.907 -7.261) 9.035 4.754 ( -0.620 -2.595 -5.435) 6.054 4.956 ( -2.546 1.125 -8.558) 8.999 5.188 ( -1.972 -6.615 2.535) 7.353 5.326 ( 1.290 -1.560 -1.723) 2.659 5.486 ( 1.835 -3.613 -13.222) 13.829 6.039 ( -6.191 8.366 -0.872) 10.444 6.233 ( -1.389 9.088 -3.913) 9.992 7.298 ( 3.654 -12.110 0.622) 12.665 7.396 ( 2.620 -9.380 -1.047) 9.795 7.745 ( 1.697 -1.826 0.687) 2.586 7.777 ( 4.838 5.265 -1.610) 7.329 7.832 ( -0.030 -0.214 0.266) 0.343 7.962 ( 2.210 -3.491 3.470) 5.395 8.463 ( -1.427 -6.429 1.215) 6.697 8.570 ( -5.624 -2.634 -0.302) 6.217 8.953 ( 0.074 0.275 8.708) 8.712 9.104 ( 2.802 2.080 0.228) 3.497 9.558 ( 0.647 2.510 1.251) 2.878 9.700 ( -2.689 -6.070 -5.189) 8.427 9.792 ( -0.089 6.055 0.500) 6.076 10.464 ( -6.418 14.993 -8.856) 18.558 10.616 ( -5.921 1.317 3.644) 7.077 10.772 ( 13.903 -7.741 -8.736) 18.153 10.982 ( 0.248 -7.735 1.590) 7.900 11.334 ( 0.752 -5.301 -10.347) 11.651 11.549 ( -3.625 -1.136 -5.590) 6.759 11.606 ( -3.962 -0.320 -8.067) 8.993 12.004 ( 12.878 6.444 -4.196) 14.999 12.310 ( -8.016 4.273 -0.708) 9.111 12.572 ( 8.658 -1.891 1.127) 8.934 12.755 ( 0.124 -5.146 4.947) 7.140 13.032 ( -6.992 1.739 14.188) 15.912 13.560 ( 6.974 0.990 -6.583) 9.641 15.099 ( -6.508 0.869 5.192) 8.370 15.965 ( -12.272 4.819 -12.828) 18.395 16.647 ( 0.460 3.608 0.975) 3.766 16.795 ( 3.395 8.967 -3.093) 10.075 ======================= Grid point 334 (160/282) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 7.724 4.008 23.864) 25.401 1.835 ( -2.722 7.825 22.670) 24.136 2.711 ( -4.711 2.008 16.631) 17.402 2.873 ( -1.745 9.643 15.224) 18.105 3.159 ( 3.361 0.537 6.422) 7.268 3.213 ( 1.244 -5.314 -5.566) 7.795 3.351 ( 0.361 0.714 0.381) 0.886 3.546 ( 0.149 2.384 5.847) 6.316 3.625 ( -1.925 4.842 -5.922) 7.888 3.798 ( -1.147 2.198 0.377) 2.508 4.316 ( -0.921 -1.558 -8.545) 8.734 4.726 ( 1.571 -4.382 -8.315) 9.529 4.821 ( -0.475 1.662 -10.493) 10.634 5.235 ( 0.969 -4.772 -0.585) 4.905 5.328 ( 1.799 -0.896 -4.950) 5.342 5.433 ( 1.631 -4.630 -9.474) 10.670 5.923 ( -0.583 6.601 0.070) 6.627 6.120 ( 0.758 6.941 -4.844) 8.498 7.392 ( -0.509 -8.232 -2.100) 8.511 7.483 ( 2.126 -8.470 -2.539) 9.094 7.720 ( 0.784 5.483 -3.675) 6.647 7.740 ( 1.114 7.092 -3.860) 8.151 7.912 ( -0.658 -8.574 5.650) 10.289 8.032 ( 0.110 -1.510 3.003) 3.363 8.483 ( -0.713 -2.822 -0.211) 2.918 8.529 ( -0.936 -1.826 -0.881) 2.233 9.030 ( -1.209 2.131 9.669) 9.975 9.173 ( 2.220 -2.369 5.230) 6.156 9.534 ( -4.081 3.955 6.126) 8.356 9.725 ( 3.550 -3.371 -2.858) 5.669 9.769 ( -1.497 1.185 5.663) 5.976 10.207 ( -2.896 12.170 -6.000) 13.874 10.596 ( -0.778 1.121 4.123) 4.343 10.954 ( 8.086 -8.334 -3.992) 12.279 11.020 ( -0.269 -11.414 -9.746) 15.011 11.260 ( 0.619 2.586 -6.108) 6.662 11.346 ( -8.229 0.071 -14.120) 16.343 11.445 ( -5.072 2.103 -8.904) 10.461 12.069 ( -13.333 5.693 -2.584) 14.726 12.163 ( 14.117 1.677 -4.628) 14.951 12.745 ( -8.965 -1.860 2.705) 9.547 12.766 ( 9.941 -2.864 2.693) 10.690 13.001 ( -11.772 1.545 13.957) 18.324 13.671 ( 12.751 0.820 -2.616) 13.043 15.089 ( -0.478 0.382 4.423) 4.465 15.654 ( -3.796 7.417 -11.826) 14.466 16.636 ( -2.333 0.546 1.524) 2.840 16.747 ( 0.220 5.992 -0.845) 6.055 ======================= Grid point 337 (161/282) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 1.172 0.000 7.068) 7.164 2.701 ( -0.980 -0.000 1.123) 1.490 2.868 ( 1.679 0.000 -9.528) 9.675 2.938 ( -11.117 -0.000 6.914) 13.092 3.012 ( -5.405 -0.000 -13.156) 14.223 3.255 ( 5.619 0.000 -1.320) 5.772 3.410 ( 3.675 0.000 6.402) 7.382 3.648 ( -1.952 -0.000 2.522) 3.189 3.790 ( -4.748 -0.000 4.687) 6.671 3.819 ( -2.795 -0.000 3.263) 4.297 4.445 ( 2.114 0.000 9.199) 9.438 4.814 ( 11.069 0.000 -3.716) 11.677 4.948 ( 8.531 0.000 -3.037) 9.055 5.324 ( 8.826 0.000 -11.187) 14.249 5.510 ( 7.594 0.000 8.646) 11.507 5.552 ( 4.566 0.000 -6.181) 7.684 6.158 ( 4.477 0.000 0.280) 4.486 6.271 ( 7.419 0.000 -0.216) 7.422 7.183 ( -5.461 -0.000 -1.243) 5.600 7.321 ( -5.864 -0.000 -4.294) 7.269 7.367 ( 0.762 0.000 -0.916) 1.191 7.577 ( -1.725 -0.000 0.922) 1.956 7.821 ( -6.771 -0.000 -0.655) 6.802 7.845 ( -8.414 -0.000 0.101) 8.414 8.995 ( 13.549 0.000 -1.173) 13.599 9.114 ( 8.623 0.000 1.491) 8.751 9.347 ( 1.785 0.000 -12.715) 12.839 9.356 ( 4.343 0.000 2.401) 4.962 9.671 ( -12.537 -0.000 -1.490) 12.625 9.823 ( -20.921 -0.000 24.844) 32.479 9.854 ( -2.587 -0.000 12.751) 13.011 10.053 ( 3.372 0.000 -3.926) 5.175 10.297 ( -1.016 -0.000 -13.346) 13.385 10.389 ( 1.000 0.000 -3.085) 3.243 10.905 ( 4.046 0.000 5.914) 7.165 10.914 ( 13.516 0.000 -2.383) 13.725 11.303 ( 6.838 0.000 -9.331) 11.568 11.589 ( 10.102 0.000 5.010) 11.276 11.781 ( 4.394 0.000 -2.979) 5.309 12.103 ( -6.351 -0.000 3.499) 7.251 12.144 ( -16.107 -0.000 6.623) 17.416 12.699 ( -0.709 -0.000 -1.007) 1.232 13.487 ( 1.539 0.000 -0.245) 1.558 14.037 ( 1.846 0.000 -8.182) 8.387 15.799 ( 9.114 0.000 -8.419) 12.407 15.840 ( 12.158 0.000 11.953) 17.050 16.124 ( -4.612 -0.000 2.886) 5.441 16.541 ( -1.484 -0.000 1.025) 1.804 ======================= Grid point 338 (162/282) ======================= q-point: (-0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.347 4.402 5.736) 7.355 2.632 ( -8.083 1.695 -3.439) 8.947 2.735 ( -6.219 4.350 -9.244) 11.961 2.794 ( -1.053 0.088 -5.460) 5.561 2.900 ( -7.583 -9.345 1.391) 12.115 3.351 ( 4.788 -0.784 3.135) 5.776 3.528 ( 2.005 -0.357 7.096) 7.383 3.661 ( 2.549 0.604 -2.639) 3.719 3.718 ( -3.399 3.858 2.951) 5.929 3.869 ( -5.139 -7.540 9.079) 12.873 4.528 ( -1.731 -2.033 6.882) 7.382 4.872 ( 6.772 5.572 -8.601) 12.283 5.053 ( 5.315 -3.389 -1.899) 6.583 5.355 ( 7.566 3.503 -5.358) 9.910 5.520 ( 1.234 5.035 -2.334) 5.685 5.688 ( 3.447 -0.123 5.160) 6.207 6.226 ( 2.284 -4.731 0.180) 5.257 6.396 ( 6.092 -2.603 2.161) 6.968 7.085 ( -5.375 1.500 -0.807) 5.639 7.188 ( -5.205 0.913 -4.326) 6.829 7.410 ( 6.886 1.002 -1.476) 7.113 7.580 ( 0.838 0.158 1.489) 1.716 7.703 ( -6.100 0.759 -1.217) 6.266 7.714 ( -8.403 -0.513 0.111) 8.420 9.008 ( -12.010 0.207 -17.793) 21.468 9.086 ( -9.008 -0.360 0.354) 9.022 9.164 ( 8.212 3.480 -10.140) 13.504 9.466 ( 6.377 10.263 -1.750) 12.209 9.596 ( 1.842 -6.124 -5.485) 8.425 9.779 ( -14.400 -3.276 25.362) 29.348 9.924 ( 2.317 -0.105 0.373) 2.350 10.130 ( 3.818 6.239 -6.802) 9.988 10.284 ( 7.013 -9.025 12.968) 17.286 10.399 ( 3.314 -3.841 -6.966) 8.617 11.031 ( 7.767 0.648 4.799) 9.153 11.098 ( 8.464 -1.004 1.101) 8.594 11.377 ( 8.751 -1.095 -2.503) 9.168 11.771 ( 4.138 0.816 -1.926) 4.636 11.775 ( 4.026 0.318 -0.426) 4.061 11.951 ( -11.565 5.703 9.257) 15.873 12.133 ( -1.134 -6.026 5.769) 8.419 12.682 ( 0.118 2.317 -0.175) 2.327 13.428 ( -4.232 5.345 -3.140) 7.506 13.950 ( -1.467 -2.468 -11.789) 12.134 15.703 ( -11.849 -0.944 -1.163) 11.943 16.108 ( 6.105 -0.179 11.867) 13.347 16.267 ( 17.352 0.862 0.050) 17.373 16.583 ( 4.722 -3.256 0.530) 5.760 ======================= Grid point 339 (163/282) ======================= q-point: (-0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -14.341 12.266 -5.516) 19.660 2.391 ( -6.561 10.776 7.094) 14.474 2.644 ( -1.684 -7.086 -5.113) 8.899 2.728 ( -2.275 -1.216 -3.558) 4.395 2.905 ( -5.551 -11.246 3.103) 12.920 3.459 ( 0.989 0.332 8.585) 8.648 3.589 ( 0.035 4.417 -0.116) 4.419 3.617 ( -0.186 3.610 3.042) 4.724 3.730 ( 1.751 -2.807 -3.293) 4.668 3.958 ( -2.654 -6.632 10.554) 12.744 4.579 ( -3.464 -4.062 6.765) 8.618 4.782 ( 1.310 6.798 -10.884) 12.900 5.088 ( -0.084 -1.420 -3.193) 3.495 5.373 ( 2.894 4.621 -2.745) 6.104 5.467 ( -1.634 4.712 -0.021) 4.988 5.717 ( -0.458 3.943 0.924) 4.076 6.316 ( 0.549 -11.186 0.947) 11.240 6.522 ( 3.426 -1.765 4.109) 5.634 6.949 ( -5.583 6.614 -4.039) 9.552 7.099 ( -2.681 -2.825 -1.901) 4.334 7.517 ( 8.980 2.263 -0.937) 9.308 7.581 ( -4.692 -0.377 2.852) 5.503 7.616 ( -1.384 -1.587 -3.099) 3.747 7.687 ( 4.154 -1.446 1.452) 4.632 8.630 ( -12.999 -0.826 -14.329) 19.364 8.914 ( -13.593 -1.213 0.564) 13.659 9.131 ( 1.879 4.154 -9.208) 10.275 9.396 ( -2.207 6.459 -3.575) 7.705 9.567 ( 0.986 -4.500 -7.410) 8.725 9.854 ( 0.576 0.534 4.483) 4.551 10.030 ( 0.613 -5.976 -5.032) 7.836 10.121 ( 10.633 11.988 10.542) 19.181 10.399 ( 5.212 -6.354 -10.252) 13.139 10.616 ( 5.563 -7.214 12.305) 15.310 11.189 ( 4.375 -1.031 -0.656) 4.542 11.214 ( 4.387 -1.359 4.271) 6.272 11.495 ( 4.919 -2.798 1.168) 5.779 11.722 ( -2.378 3.406 4.053) 5.804 11.817 ( 9.065 2.668 -1.714) 9.604 11.982 ( 2.891 4.197 5.020) 7.154 12.249 ( 1.078 -7.754 6.160) 9.961 12.656 ( -0.607 5.307 1.487) 5.544 13.240 ( -7.797 8.697 -3.117) 12.089 13.810 ( -3.518 -4.573 -13.609) 14.781 15.512 ( -14.451 -1.269 2.773) 14.769 16.241 ( -0.286 -0.573 6.496) 6.528 16.537 ( 17.812 3.904 0.827) 18.253 16.732 ( 9.462 -4.893 -0.447) 10.662 ======================= Grid point 340 (164/282) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -14.627 15.890 -1.215) 21.631 2.255 ( -10.042 14.400 11.057) 20.748 2.655 ( -3.414 -11.059 -1.150) 11.631 2.694 ( 1.838 -0.145 -1.349) 2.284 2.946 ( -5.138 -11.513 3.465) 13.075 3.472 ( -9.406 6.287 10.056) 15.137 3.568 ( 6.961 2.506 -4.111) 8.464 3.643 ( -2.180 3.384 7.204) 8.253 3.703 ( -1.798 2.935 -0.765) 3.526 4.088 ( 1.923 -6.741 5.155) 8.701 4.523 ( -1.887 8.639 -10.496) 13.724 4.713 ( -3.955 -6.972 5.403) 9.667 5.027 ( -4.121 -0.323 -2.263) 4.712 5.301 ( -2.843 3.283 -5.199) 6.774 5.404 ( -1.737 5.191 0.516) 5.498 5.665 ( -0.298 3.155 -4.275) 5.322 6.400 ( -3.868 -9.682 1.117) 10.486 6.587 ( 0.455 3.479 3.069) 4.661 6.793 ( -1.294 2.489 -3.960) 4.853 7.100 ( -0.668 -6.011 -0.285) 6.055 7.554 ( -4.702 -3.337 4.445) 7.280 7.588 ( 1.982 -3.207 2.236) 4.382 7.687 ( 12.610 0.466 -6.295) 14.102 7.804 ( 6.555 0.398 2.556) 7.048 8.380 ( -8.524 -3.212 -5.927) 10.868 8.728 ( -12.839 -3.209 0.144) 13.235 9.015 ( -1.994 3.163 -5.895) 6.981 9.272 ( -1.963 4.846 -4.796) 7.095 9.557 ( 3.220 -1.945 -7.224) 8.145 9.890 ( 0.449 0.664 -4.189) 4.265 9.966 ( 0.182 1.377 -1.838) 2.304 10.307 ( 11.147 7.544 0.661) 13.476 10.493 ( 6.298 -12.722 -2.248) 14.373 10.769 ( -1.372 -4.236 3.706) 5.793 11.185 ( -0.219 4.105 -3.095) 5.145 11.234 ( -3.565 -0.210 1.280) 3.793 11.568 ( 1.744 -0.018 2.986) 3.458 11.887 ( 5.231 -4.095 -0.619) 6.672 11.954 ( 14.626 4.135 2.526) 15.407 11.996 ( 5.832 6.866 3.089) 9.523 12.376 ( 0.819 -7.968 3.093) 8.587 12.614 ( -1.975 5.797 2.877) 6.766 13.054 ( -6.374 7.681 3.034) 10.432 13.666 ( -2.784 -5.213 -12.415) 13.750 15.345 ( -13.610 -0.326 5.554) 14.703 16.259 ( -3.001 -1.876 1.037) 3.688 16.718 ( 8.514 5.601 1.840) 10.356 16.900 ( 12.010 -1.037 -5.334) 13.183 ======================= Grid point 341 (165/282) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -9.563 16.265 8.663) 20.762 2.099 ( -11.123 16.051 15.053) 24.656 2.662 ( -3.079 -7.120 0.164) 7.759 2.777 ( 4.182 -4.353 2.475) 6.524 2.991 ( -4.503 -9.640 4.564) 11.577 3.364 ( -7.620 9.238 7.665) 14.218 3.560 ( -6.834 9.586 5.467) 12.980 3.603 ( 1.212 4.924 1.788) 5.377 3.704 ( 0.196 1.777 4.970) 5.282 4.194 ( 2.429 -5.889 -3.492) 7.264 4.293 ( -1.058 9.567 -12.092) 15.455 4.754 ( -4.514 -5.728 2.278) 7.641 4.973 ( -3.983 -4.949 2.104) 6.692 5.161 ( -4.661 1.593 -6.458) 8.122 5.351 ( -0.161 3.800 -0.736) 3.874 5.574 ( 0.333 1.751 -10.301) 10.454 6.322 ( -8.162 2.322 -1.110) 8.558 6.522 ( -1.313 10.149 -1.827) 10.396 6.876 ( 4.944 -13.054 2.190) 14.130 7.158 ( 0.579 -8.373 0.576) 8.412 7.576 ( -3.326 -5.376 5.293) 8.245 7.706 ( 3.897 -7.661 2.771) 9.031 7.805 ( 11.820 3.207 -5.638) 13.483 7.898 ( 3.566 2.191 1.604) 4.483 8.301 ( -3.393 -5.962 0.825) 6.909 8.588 ( -9.640 -4.916 0.132) 10.822 8.940 ( -0.852 1.687 -0.205) 1.901 9.179 ( -0.051 3.355 -4.450) 5.574 9.556 ( 3.588 0.751 -3.797) 5.277 9.764 ( -3.225 0.879 -9.763) 10.320 9.978 ( -0.659 6.464 4.677) 8.006 10.413 ( 11.426 -5.052 -9.208) 15.520 10.632 ( -2.081 -9.943 -1.695) 10.299 10.776 ( 0.133 -3.152 1.080) 3.335 11.054 ( -3.933 10.954 -5.565) 12.901 11.227 ( 2.069 -2.246 -2.321) 3.836 11.621 ( 1.702 3.777 4.294) 5.967 11.763 ( -5.363 2.288 -9.450) 11.104 12.068 ( 9.343 6.676 -3.553) 12.020 12.261 ( 8.765 -2.924 5.256) 10.630 12.493 ( 5.896 -6.892 3.309) 9.654 12.564 ( -2.301 3.673 1.227) 4.505 13.014 ( -3.492 3.809 11.897) 12.971 13.574 ( 0.379 -3.330 -9.049) 9.649 15.211 ( -11.361 1.357 6.990) 13.408 16.197 ( -5.638 -1.966 -3.867) 7.114 16.759 ( 1.795 5.540 0.287) 5.831 16.976 ( 8.816 5.995 -8.234) 13.471 ======================= Grid point 342 (166/282) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.282 11.732 19.543) 22.796 1.989 ( -8.294 15.131 18.232) 25.102 2.679 ( -1.585 -4.610 1.316) 5.049 2.892 ( 2.175 -5.942 0.904) 6.392 3.067 ( -0.734 -4.460 9.306) 10.346 3.262 ( -7.203 13.631 13.555) 20.528 3.441 ( -4.564 9.566 5.026) 11.730 3.594 ( 0.474 4.381 1.205) 4.568 3.733 ( -2.156 2.081 5.858) 6.580 4.029 ( -0.579 7.562 -16.019) 17.724 4.279 ( 2.662 -4.386 -4.027) 6.523 4.711 ( -3.628 -3.187 -3.319) 5.859 4.967 ( -2.112 -0.460 -6.056) 6.430 5.065 ( -4.412 -7.287 2.319) 8.828 5.332 ( 1.485 1.149 -1.311) 2.290 5.458 ( 2.394 0.528 -14.885) 15.086 6.160 ( -5.780 6.903 -1.168) 9.079 6.389 ( -1.032 10.940 -4.185) 11.759 7.091 ( 4.234 -14.725 2.584) 15.538 7.248 ( 1.132 -9.794 0.394) 9.867 7.638 ( -2.332 -7.743 6.058) 10.104 7.832 ( 3.488 -4.040 -1.794) 5.631 7.879 ( 6.637 4.707 -2.355) 8.471 7.910 ( 0.479 0.670 0.122) 0.833 8.357 ( 0.753 -6.862 1.928) 7.168 8.508 ( -5.892 -5.044 -0.350) 7.763 8.967 ( 1.043 1.025 7.413) 7.556 9.131 ( -0.003 1.235 -1.624) 2.040 9.593 ( 4.008 2.347 1.203) 4.798 9.632 ( -2.167 -1.492 -6.786) 7.278 9.924 ( -3.194 9.392 3.822) 10.631 10.534 ( 4.156 -9.285 -12.071) 15.786 10.590 ( -2.070 -4.308 0.733) 4.835 10.801 ( 0.017 7.334 -7.304) 10.350 10.862 ( -0.021 -0.546 -3.464) 3.507 11.249 ( 3.471 -4.111 -8.470) 10.034 11.554 ( -3.543 0.583 -10.970) 11.543 11.646 ( -2.874 4.926 1.271) 5.843 12.086 ( 4.854 3.616 -2.521) 6.557 12.362 ( -0.035 2.507 -0.730) 2.611 12.549 ( 4.415 -0.740 0.272) 4.485 12.675 ( 2.509 -4.844 5.267) 7.583 13.059 ( -7.227 1.728 14.550) 16.337 13.566 ( 6.890 -0.407 -5.471) 8.807 15.123 ( -7.131 2.262 7.015) 10.255 16.030 ( -6.875 3.326 -9.348) 12.071 16.719 ( -0.789 5.210 -0.251) 5.275 16.935 ( 3.453 8.604 -6.105) 11.101 ======================= Grid point 343 (167/282) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 4.552 6.194 23.249) 24.486 1.993 ( -0.668 12.256 19.109) 22.712 2.711 ( -0.501 -2.594 3.203) 4.152 2.951 ( 0.484 -3.735 1.111) 3.927 3.178 ( 1.573 2.380 2.940) 4.097 3.250 ( -2.785 9.945 22.510) 24.766 3.375 ( -0.393 4.898 0.188) 4.918 3.597 ( 0.557 4.377 6.468) 7.830 3.697 ( -2.667 4.170 -2.047) 5.356 3.852 ( 0.013 4.649 -7.110) 8.495 4.283 ( 0.637 -2.288 -6.434) 6.858 4.654 ( -0.949 -4.615 -6.476) 8.008 4.847 ( -0.373 1.739 -10.110) 10.266 5.112 ( -4.140 -9.515 3.855) 11.069 5.348 ( 0.849 -3.854 -3.085) 5.009 5.365 ( 7.568 2.701 -14.761) 16.807 6.039 ( -1.190 7.897 -0.389) 7.996 6.254 ( 0.606 10.088 -5.350) 11.435 7.246 ( 0.969 -10.762 0.226) 10.808 7.342 ( 1.312 -9.793 -0.633) 9.901 7.745 ( -0.323 -8.731 5.701) 10.432 7.814 ( -1.627 2.841 -2.845) 4.337 7.846 ( 1.901 5.866 -4.835) 7.836 7.975 ( 0.587 -5.212 1.751) 5.530 8.426 ( 1.408 -4.426 -0.296) 4.654 8.478 ( -1.966 -4.613 -1.065) 5.126 9.074 ( 0.679 3.048 11.648) 12.059 9.138 ( 0.319 -2.041 3.725) 4.259 9.555 ( -3.818 -0.690 1.845) 4.296 9.711 ( 8.297 0.822 2.257) 8.638 9.837 ( -3.652 7.986 4.063) 9.675 10.379 ( -4.846 6.145 -9.269) 12.131 10.625 ( -1.672 3.198 6.089) 7.078 10.800 ( 10.730 -10.325 -14.851) 21.031 10.852 ( -1.623 -7.657 -4.641) 9.099 11.225 ( 3.398 -4.381 -13.500) 14.594 11.387 ( -3.152 2.276 -9.302) 10.082 11.501 ( -7.272 5.556 -4.979) 10.418 12.133 ( -2.137 1.981 0.418) 2.943 12.226 ( -0.937 6.343 -4.909) 8.075 12.707 ( 8.592 -4.431 2.768) 10.056 12.715 ( -5.559 -1.768 3.537) 6.822 13.027 ( -12.308 1.748 13.886) 18.638 13.684 ( 12.407 0.732 -2.109) 12.606 15.105 ( -1.450 1.873 6.068) 6.514 15.793 ( -1.837 9.664 -12.264) 15.722 16.664 ( -3.015 2.967 1.284) 4.421 16.851 ( -0.278 7.151 -3.022) 7.768 ======================= Grid point 344 (168/282) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.741 4.282 20.225) 20.687 2.185 ( 10.729 7.715 17.601) 22.009 2.779 ( 1.075 -4.017 4.666) 6.250 3.006 ( 3.659 -2.108 -1.014) 4.343 3.191 ( -0.515 3.773 5.024) 6.304 3.278 ( 0.127 8.630 0.005) 8.631 3.396 ( 0.662 1.960 3.950) 4.459 3.588 ( -1.498 2.520 -0.182) 2.937 3.722 ( 5.679 5.564 13.339) 15.529 3.803 ( -1.210 1.693 3.498) 4.071 4.195 ( -3.055 0.787 -8.576) 9.138 4.622 ( 1.937 -4.095 -9.402) 10.436 4.766 ( 4.358 0.589 -9.284) 10.273 5.147 ( -5.110 -9.286 3.316) 11.105 5.313 ( 7.134 -3.505 -16.310) 18.144 5.402 ( 5.983 1.972 -1.331) 6.439 5.997 ( 3.296 6.808 -0.159) 7.565 6.162 ( 3.419 7.974 -5.126) 10.077 7.302 ( -0.861 -6.713 -1.472) 6.926 7.420 ( 0.681 -8.561 -1.470) 8.713 7.698 ( -3.436 4.144 -4.811) 7.220 7.753 ( -0.857 5.849 -4.009) 7.142 7.878 ( -1.806 -9.336 5.463) 10.967 8.015 ( -1.825 -4.164 0.952) 4.645 8.481 ( 3.331 -2.321 0.236) 4.066 8.506 ( 2.433 -4.807 -0.689) 5.432 9.142 ( -1.067 3.289 10.370) 10.932 9.250 ( 2.707 -1.214 8.194) 8.714 9.540 ( -4.879 -0.206 7.487) 8.939 9.794 ( 0.171 5.003 4.870) 6.983 9.864 ( 5.937 1.813 5.988) 8.626 10.209 ( -1.395 7.073 -2.989) 7.804 10.645 ( 0.591 -0.301 -1.026) 1.222 10.742 ( -5.623 -7.485 -8.453) 12.614 10.916 ( 0.175 -5.718 -5.946) 8.251 11.121 ( 1.791 -1.807 -19.303) 19.470 11.287 ( -3.087 5.776 -4.885) 8.171 11.340 ( 5.767 -1.149 -5.734) 8.213 11.869 ( -14.255 7.414 -4.727) 16.749 12.281 ( 4.796 -1.371 -1.008) 5.089 12.621 ( -9.586 1.699 1.668) 9.877 12.841 ( -3.609 -2.673 5.006) 6.725 13.024 ( 0.171 -1.437 11.117) 11.211 13.852 ( 11.711 1.174 -1.091) 11.821 15.168 ( 4.005 1.162 5.187) 6.655 15.626 ( 6.292 9.288 -12.812) 17.029 16.591 ( -6.722 1.721 1.793) 7.167 16.761 ( -2.627 5.304 -0.949) 5.994 ======================= Grid point 348 (169/282) ======================= q-point: ( 0.30 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -8.291 -0.000 -3.315) 8.929 2.496 ( -2.166 -0.000 6.129) 6.500 2.509 ( -9.530 -0.000 -10.041) 13.843 2.721 ( -0.927 -0.000 -4.972) 5.058 2.794 ( -7.605 -0.000 6.831) 10.222 3.462 ( 2.621 0.000 7.536) 7.979 3.616 ( 0.891 0.000 4.379) 4.468 3.673 ( -2.114 -0.000 -3.009) 3.678 3.697 ( 4.246 0.000 -2.376) 4.866 3.895 ( -2.865 -0.000 13.419) 13.721 4.543 ( -4.219 -0.000 7.917) 8.971 4.848 ( 2.525 0.000 -14.535) 14.752 5.068 ( -0.065 -0.000 -0.938) 0.940 5.392 ( 2.580 0.000 -7.623) 8.048 5.539 ( -0.204 -0.000 3.115) 3.122 5.748 ( -2.667 -0.000 3.332) 4.268 6.217 ( -0.496 -0.000 0.681) 0.843 6.501 ( 4.913 0.000 3.740) 6.175 7.016 ( -3.823 -0.000 -0.734) 3.893 7.063 ( -5.329 -0.000 -5.267) 7.493 7.535 ( 10.118 0.000 -2.057) 10.325 7.578 ( -7.505 -0.000 3.411) 8.243 7.605 ( -2.893 -0.000 -3.078) 4.224 7.674 ( 5.798 0.000 1.472) 5.982 8.623 ( -13.564 -0.000 -14.817) 20.088 8.905 ( -14.163 -0.000 0.783) 14.184 9.162 ( 1.936 0.000 -11.234) 11.400 9.481 ( -4.576 -0.000 -7.381) 8.684 9.494 ( -0.559 -0.000 -0.816) 0.989 9.894 ( 1.079 0.000 8.389) 8.458 9.953 ( 6.943 0.000 -5.532) 8.878 10.234 ( 8.720 0.000 1.008) 8.778 10.352 ( 7.082 0.000 -11.366) 13.392 10.539 ( 4.008 0.000 19.213) 19.626 11.164 ( 5.335 0.000 2.337) 5.824 11.219 ( 5.342 0.000 0.363) 5.355 11.473 ( 4.279 0.000 1.133) 4.426 11.739 ( -3.822 -0.000 2.850) 4.768 11.847 ( 9.853 0.000 -1.253) 9.932 12.031 ( 2.190 0.000 7.679) 7.986 12.171 ( 1.403 0.000 4.878) 5.076 12.699 ( 0.019 0.000 0.899) 0.899 13.320 ( -8.336 -0.000 -2.247) 8.634 13.765 ( -3.804 -0.000 -14.567) 15.055 15.502 ( -14.098 -0.000 2.898) 14.393 16.236 ( -0.879 -0.000 6.770) 6.827 16.574 ( 21.014 0.000 -0.646) 21.024 16.686 ( 7.986 0.000 1.535) 8.133 ======================= Grid point 350 (170/282) ======================= q-point: (-0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -10.092 16.186 -3.549) 19.402 2.419 ( -5.378 -5.463 -1.553) 7.822 2.485 ( -7.135 0.342 6.503) 9.660 2.693 ( 2.140 0.041 -1.177) 2.443 2.786 ( -7.298 -8.163 7.916) 13.511 3.530 ( -10.413 1.641 12.474) 16.332 3.597 ( 8.012 0.969 -8.630) 11.815 3.686 ( 2.493 1.897 1.644) 3.537 3.737 ( 2.140 1.101 0.251) 2.420 4.010 ( 0.217 -2.861 10.311) 10.703 4.565 ( -4.562 -1.572 7.951) 9.301 4.697 ( -1.142 2.935 -13.240) 13.610 5.019 ( -5.188 -0.562 -1.160) 5.346 5.310 ( -2.657 -0.282 -7.737) 8.185 5.533 ( -1.233 8.152 2.388) 8.584 5.691 ( -4.374 -0.545 -1.929) 4.812 6.247 ( -0.885 -6.968 1.983) 7.299 6.601 ( 2.433 -0.317 3.818) 4.539 6.886 ( -3.992 7.480 -4.736) 9.712 7.002 ( -2.594 -6.780 -1.779) 7.474 7.519 ( -5.428 -1.182 4.478) 7.135 7.543 ( -1.820 -1.788 0.535) 2.607 7.696 ( 13.866 0.409 -5.748) 15.016 7.809 ( 7.552 0.170 2.921) 8.099 8.348 ( -8.733 -0.958 -6.615) 10.997 8.692 ( -14.292 -1.251 0.404) 14.353 9.043 ( -2.579 0.735 -8.416) 8.832 9.329 ( -3.558 2.398 -6.534) 7.817 9.519 ( 4.561 -2.243 -3.877) 6.393 9.940 ( 1.666 0.379 1.969) 2.607 9.975 ( 3.537 5.394 -8.070) 10.331 10.281 ( 3.359 -11.106 -11.293) 16.191 10.477 ( 12.915 9.263 2.801) 16.138 10.700 ( -2.813 -4.697 7.855) 9.575 11.204 ( -1.825 0.059 1.086) 2.125 11.260 ( 1.826 1.533 -1.881) 3.037 11.550 ( 2.548 -1.289 4.482) 5.314 11.823 ( 5.537 -2.662 2.707) 6.714 12.020 ( 13.800 3.162 0.380) 14.162 12.097 ( 4.918 5.473 2.198) 7.679 12.257 ( -0.118 -6.573 4.671) 8.065 12.687 ( -1.245 2.781 0.272) 3.059 13.168 ( -8.357 5.604 3.875) 10.782 13.582 ( -3.013 -4.412 -13.462) 14.483 15.342 ( -12.771 -0.076 6.262) 14.224 16.239 ( -3.696 -0.711 1.340) 3.995 16.789 ( 6.602 3.261 1.234) 7.466 16.874 ( 16.471 -1.856 -3.093) 16.861 ======================= Grid point 351 (171/282) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -7.147 17.721 3.708) 19.464 2.333 ( -7.283 12.463 9.166) 17.099 2.473 ( -4.787 -14.296 -0.164) 15.077 2.751 ( 1.631 -0.878 4.297) 4.679 2.850 ( -2.599 -8.295 8.433) 12.111 3.436 ( -7.183 2.110 2.684) 7.953 3.636 ( 2.805 2.296 -1.592) 3.959 3.727 ( 2.279 3.386 3.209) 5.192 3.741 ( -1.174 5.610 4.857) 7.512 4.117 ( 1.455 -3.376 2.233) 4.302 4.449 ( -2.670 9.591 -9.992) 14.105 4.656 ( -3.770 -6.130 5.607) 9.123 4.922 ( -6.964 -2.194 0.547) 7.322 5.176 ( -4.283 0.412 -8.259) 9.312 5.443 ( -1.642 7.759 -1.456) 8.064 5.600 ( -2.106 0.528 -6.874) 7.209 6.299 ( -2.977 -4.634 2.011) 5.864 6.649 ( 0.571 2.732 2.292) 3.612 6.754 ( -0.387 1.469 -3.943) 4.226 7.027 ( -1.015 -8.784 -0.032) 8.842 7.513 ( -3.794 -2.637 5.206) 6.961 7.589 ( 1.980 -6.550 1.584) 7.024 7.841 ( 12.806 1.466 -5.278) 13.929 7.928 ( 4.550 1.433 2.374) 5.329 8.236 ( -3.832 -2.525 0.053) 4.589 8.520 ( -10.568 -3.524 0.238) 11.143 8.951 ( -0.908 -0.002 -2.939) 3.076 9.215 ( -1.911 1.428 -5.376) 5.881 9.572 ( 6.223 1.146 -3.202) 7.092 9.837 ( -0.585 7.895 -10.778) 13.373 10.003 ( 1.766 -1.474 3.380) 4.088 10.305 ( 2.721 -12.535 -12.924) 18.209 10.553 ( 0.430 3.589 1.320) 3.848 10.739 ( 2.336 -2.609 -1.671) 3.880 11.163 ( -1.692 3.687 -1.808) 4.441 11.236 ( 0.635 2.056 -2.073) 2.988 11.661 ( 3.799 1.461 6.889) 8.001 11.780 ( -6.307 -0.280 -9.470) 11.382 12.146 ( 3.736 3.638 -1.854) 5.534 12.246 ( 10.290 0.906 3.172) 10.806 12.392 ( 9.049 -5.797 3.369) 11.262 12.629 ( -2.118 3.933 -0.619) 4.510 13.087 ( -6.327 5.409 11.593) 14.272 13.502 ( 1.270 -5.557 -7.966) 9.796 15.233 ( -10.663 1.233 8.538) 13.716 16.173 ( -4.899 -1.158 -2.436) 5.593 16.828 ( 1.408 3.210 -0.082) 3.506 17.041 ( 11.311 2.631 -6.771) 13.443 ======================= Grid point 352 (172/282) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -1.002 14.387 13.479) 19.740 2.225 ( -6.299 14.774 12.899) 20.600 2.533 ( -1.623 -13.354 -0.135) 13.453 2.815 ( -0.972 -4.523 3.712) 5.931 3.005 ( 3.785 -2.990 11.159) 12.157 3.353 ( -5.028 1.887 3.064) 6.183 3.609 ( -0.332 5.035 -1.450) 5.250 3.711 ( -2.520 11.194 9.780) 15.076 3.767 ( 0.310 2.541 3.885) 4.652 4.097 ( -1.189 0.043 -12.015) 12.074 4.288 ( 0.503 7.503 -1.450) 7.659 4.658 ( -4.457 -3.466 -0.856) 5.711 4.900 ( -3.728 -6.802 4.330) 8.883 5.023 ( -3.864 0.449 -8.735) 9.562 5.356 ( -0.728 2.288 -4.720) 5.296 5.494 ( 1.751 3.238 -9.823) 10.490 6.247 ( -3.923 4.474 0.288) 5.958 6.565 ( -0.590 11.785 -3.519) 12.313 6.856 ( 3.613 -15.032 2.416) 15.647 7.096 ( -0.152 -9.958 0.820) 9.993 7.541 ( -3.178 -4.549 5.644) 7.915 7.708 ( 2.816 -9.164 1.325) 9.678 7.943 ( 9.062 3.248 -5.670) 11.173 7.955 ( 0.216 3.250 0.176) 3.262 8.264 ( 1.152 -4.999 2.476) 5.697 8.429 ( -5.903 -4.693 -0.086) 7.542 8.972 ( 2.173 -0.481 4.869) 5.353 9.142 ( -2.043 0.363 -1.829) 2.766 9.635 ( 7.294 3.330 -1.194) 8.106 9.666 ( -1.943 5.491 -7.647) 9.613 10.038 ( -2.705 4.091 5.171) 7.127 10.321 ( 2.665 -15.778 -13.643) 21.028 10.520 ( -2.601 -3.275 -0.430) 4.204 10.773 ( 5.002 -1.447 -6.985) 8.713 11.040 ( -2.677 11.342 -4.469) 12.481 11.217 ( 2.394 -0.550 -6.551) 6.996 11.556 ( -5.463 -0.173 -12.740) 13.863 11.732 ( -1.151 5.458 3.195) 6.428 12.111 ( -1.219 -0.134 -0.110) 1.231 12.389 ( 8.091 1.177 -1.928) 8.400 12.548 ( -0.049 -0.471 -1.980) 2.036 12.623 ( 4.926 -0.932 5.448) 7.403 13.088 ( -8.673 2.169 14.957) 17.425 13.544 ( 7.504 -2.393 -3.413) 8.584 15.164 ( -7.443 2.910 9.123) 12.128 16.065 ( -3.923 1.237 -5.742) 7.063 16.793 ( -1.150 4.115 -1.051) 4.400 17.048 ( 4.047 5.830 -7.859) 10.588 ======================= Grid point 353 (173/282) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.537 8.281 20.029) 21.822 2.196 ( 0.180 13.581 14.459) 19.838 2.614 ( -0.514 -9.791 1.259) 9.885 2.875 ( 1.405 -4.501 1.244) 4.876 3.191 ( 5.060 0.172 7.879) 9.366 3.323 ( -3.519 1.094 7.413) 8.279 3.530 ( -2.184 7.618 -0.460) 7.938 3.704 ( -2.422 9.262 12.890) 16.056 3.762 ( 0.063 5.371 0.900) 5.446 3.929 ( -0.783 4.672 -10.006) 11.071 4.270 ( 1.959 2.144 -2.207) 3.648 4.590 ( -3.194 -3.571 -4.836) 6.808 4.874 ( -0.368 1.750 -9.878) 10.038 4.967 ( -3.976 -8.947 4.294) 10.691 5.286 ( -0.038 -2.791 -8.824) 9.255 5.438 ( 6.929 5.194 -7.911) 11.729 6.159 ( -0.839 7.790 0.091) 7.835 6.424 ( 0.185 11.848 -5.280) 12.972 7.052 ( 2.650 -14.708 2.016) 15.080 7.185 ( 0.367 -10.575 0.454) 10.591 7.604 ( -2.215 -7.646 6.293) 10.147 7.813 ( 1.203 -6.810 -0.464) 6.931 7.897 ( -2.229 3.129 -2.156) 4.406 7.959 ( 3.639 3.833 -5.183) 7.402 8.352 ( 2.887 -5.023 -0.044) 5.794 8.401 ( -1.897 -4.731 -0.988) 5.192 9.104 ( 3.926 -0.146 9.818) 10.575 9.115 ( -3.240 -0.265 5.399) 6.302 9.557 ( -1.378 1.755 -2.553) 3.391 9.740 ( 8.442 2.970 2.471) 9.284 9.976 ( -3.873 8.671 4.895) 10.684 10.309 ( -3.440 -12.515 -11.682) 17.462 10.577 ( 3.490 -8.273 1.318) 9.075 10.776 ( 3.949 -2.535 -9.188) 10.317 10.850 ( -0.269 13.401 -7.135) 15.185 11.170 ( 2.662 -2.375 -13.484) 13.948 11.397 ( -0.924 -0.604 -10.180) 10.240 11.594 ( -8.136 5.492 -4.903) 10.973 12.152 ( 1.821 0.942 3.812) 4.328 12.321 ( -6.761 5.319 -4.655) 9.781 12.636 ( 7.371 -4.601 1.854) 8.885 12.697 ( -2.485 -0.582 3.696) 4.492 13.053 ( -12.423 1.650 14.290) 19.007 13.689 ( 12.047 -0.159 -0.810) 12.075 15.147 ( -2.549 3.522 8.323) 9.390 15.925 ( 0.034 7.024 -9.615) 11.907 16.719 ( -3.498 3.883 -0.094) 5.227 16.954 ( -0.732 5.932 -5.519) 8.136 ======================= Grid point 354 (174/282) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -1.091 4.842 19.667) 20.284 2.327 ( 9.315 10.305 14.727) 20.245 2.693 ( -0.401 -7.381 3.459) 8.161 2.950 ( 5.020 -3.388 -2.676) 6.621 3.253 ( 1.156 3.326 0.306) 3.534 3.392 ( 1.559 -0.140 1.358) 2.073 3.431 ( -4.786 6.566 7.694) 11.190 3.647 ( -2.164 4.802 -2.681) 5.911 3.830 ( 3.815 2.765 3.462) 5.847 3.850 ( 0.776 9.413 12.804) 15.911 4.228 ( -0.190 4.155 -5.450) 6.856 4.546 ( 1.249 -5.266 -7.416) 9.181 4.783 ( 2.879 1.278 -8.977) 9.514 5.008 ( -4.561 -8.151 3.641) 10.025 5.236 ( 2.522 -5.052 -10.818) 12.203 5.464 ( 10.067 4.982 -6.020) 12.744 6.114 ( 2.925 8.206 0.145) 8.713 6.301 ( 2.188 10.061 -5.550) 11.697 7.182 ( 0.936 -9.503 0.107) 9.549 7.272 ( 0.147 -10.519 -0.287) 10.524 7.695 ( -3.922 -8.891 3.639) 10.376 7.770 ( -2.487 2.071 -3.166) 4.527 7.840 ( -1.375 2.470 -3.111) 4.203 7.940 ( -0.800 -3.874 -0.991) 4.078 8.424 ( 1.998 -5.407 -1.080) 5.865 8.437 ( 4.344 -3.353 -0.462) 5.507 9.144 ( -3.591 -2.044 10.176) 10.982 9.268 ( 4.522 1.980 9.983) 11.137 9.535 ( -1.995 0.021 3.280) 3.839 9.863 ( 0.423 2.528 6.810) 7.277 9.940 ( 6.329 8.755 3.285) 11.291 10.214 ( -3.721 -6.987 -8.285) 11.459 10.654 ( -0.325 1.963 -12.907) 13.059 10.717 ( -0.433 2.015 9.849) 10.063 10.820 ( 7.604 -5.238 -9.513) 13.258 11.067 ( 1.477 -3.250 -17.780) 18.135 11.334 ( 2.200 0.309 -9.488) 9.745 11.373 ( -3.946 4.543 -5.584) 8.209 11.992 ( -14.989 7.996 -3.804) 17.409 12.270 ( 1.679 -0.029 2.457) 2.975 12.642 ( -7.753 0.899 1.794) 8.009 12.782 ( 0.836 -4.700 3.789) 6.095 13.013 ( -6.070 0.171 11.962) 13.415 13.869 ( 11.772 0.887 -0.180) 11.807 15.201 ( 2.997 3.108 7.173) 8.373 15.786 ( 5.428 10.649 -12.270) 17.129 16.626 ( -6.743 2.696 1.790) 7.479 16.843 ( -2.813 4.947 -2.756) 6.323 ======================= Grid point 355 (175/282) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -1.249 3.381 15.457) 15.872 2.532 ( 6.193 6.356 12.943) 15.693 2.792 ( 0.998 -5.892 4.493) 7.476 3.015 ( 6.746 -3.144 -7.891) 10.847 3.234 ( -0.889 2.183 0.486) 2.407 3.287 ( -1.780 5.025 -6.446) 8.365 3.471 ( 1.032 6.117 3.552) 7.148 3.615 ( -0.268 0.354 4.622) 4.643 3.804 ( -4.292 1.865 4.763) 6.677 4.026 ( 1.929 3.469 5.615) 6.876 4.148 ( 5.559 9.962 5.601) 12.709 4.556 ( 5.271 -4.574 -8.711) 11.162 4.781 ( 7.177 0.252 -5.991) 9.353 5.040 ( -3.779 -8.678 4.190) 10.351 5.229 ( 5.230 -5.857 -11.438) 13.874 5.534 ( 11.317 4.759 -5.993) 13.662 6.120 ( 5.477 7.768 0.061) 9.504 6.238 ( 4.789 7.089 -4.375) 9.609 7.239 ( -0.085 -5.102 -0.815) 5.167 7.332 ( -1.918 -9.354 -1.240) 9.629 7.583 ( -6.827 0.023 -5.079) 8.509 7.727 ( -3.597 4.375 -2.160) 6.061 7.820 ( -2.911 -7.949 3.372) 9.112 7.946 ( -2.759 -4.597 -0.077) 5.362 8.525 ( 6.569 -6.509 0.227) 9.251 8.557 ( 7.934 -2.896 1.311) 8.547 9.226 ( -2.674 -1.800 11.889) 12.318 9.394 ( 4.419 2.697 4.501) 6.860 9.543 ( -3.806 -0.822 7.238) 8.219 9.883 ( -3.177 2.964 10.156) 11.046 10.006 ( 2.903 3.144 -1.555) 4.554 10.223 ( 5.006 -2.212 2.186) 5.893 10.486 ( -1.934 5.095 -11.128) 12.390 10.741 ( -9.798 2.728 7.069) 12.386 10.803 ( 3.590 1.469 -10.146) 10.862 10.953 ( 2.912 -0.999 -19.303) 19.547 11.242 ( 3.429 -2.848 -1.914) 4.851 11.420 ( 10.735 -1.454 -5.551) 12.173 11.669 ( -12.322 6.386 -4.919) 14.724 12.292 ( -3.327 -0.081 3.501) 4.831 12.496 ( -11.361 2.082 1.854) 11.698 12.781 ( -6.900 -1.290 3.999) 8.079 13.127 ( 4.143 -5.823 6.175) 9.445 14.014 ( 9.098 1.901 -1.057) 9.354 15.334 ( 7.967 2.271 7.194) 10.972 15.708 ( 10.798 9.179 -12.494) 18.893 16.494 ( -10.886 2.628 2.358) 11.444 16.742 ( -3.557 4.741 -0.455) 5.945 ======================= Grid point 360 (176/282) ======================= q-point: ( 0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -4.473 -0.000 -0.657) 4.521 2.223 ( -5.034 -0.000 -0.018) 5.034 2.484 ( -7.136 -0.000 7.523) 10.370 2.720 ( -8.297 -0.000 10.754) 13.583 2.785 ( 5.929 0.000 6.179) 8.564 3.451 ( -7.301 -0.000 1.765) 7.512 3.654 ( 3.270 0.000 -1.814) 3.740 3.746 ( 2.972 0.000 0.800) 3.078 3.788 ( 1.334 0.000 3.011) 3.294 4.093 ( 1.057 0.000 4.317) 4.445 4.554 ( -1.566 -0.000 -11.364) 11.472 4.583 ( -3.713 -0.000 8.654) 9.417 4.903 ( -9.015 -0.000 0.970) 9.067 5.178 ( -3.598 -0.000 -8.755) 9.465 5.556 ( -5.579 -0.000 -6.152) 8.305 5.564 ( -1.120 -0.000 -0.681) 1.311 6.246 ( 0.480 0.000 3.837) 3.867 6.640 ( -0.422 -0.000 0.690) 0.808 6.857 ( -0.972 -0.000 -1.666) 1.929 6.903 ( -1.891 -0.000 -2.520) 3.151 7.495 ( -3.502 -0.000 5.032) 6.130 7.533 ( 0.606 0.000 1.366) 1.495 7.852 ( 13.081 0.000 -5.203) 14.078 7.939 ( 4.996 0.000 2.702) 5.680 8.218 ( -4.026 -0.000 -0.311) 4.038 8.491 ( -11.057 -0.000 0.348) 11.062 8.949 ( -0.840 -0.000 -4.045) 4.131 9.225 ( -2.695 -0.000 -5.675) 6.282 9.583 ( 8.213 0.000 -2.955) 8.729 9.918 ( 0.438 0.000 -6.180) 6.196 10.027 ( 4.094 0.000 -6.457) 7.645 10.133 ( -0.868 -0.000 -8.186) 8.232 10.623 ( -9.264 -0.000 3.955) 10.073 10.698 ( 11.469 0.000 -5.570) 12.749 11.188 ( -0.221 -0.000 -1.240) 1.260 11.255 ( -0.531 -0.000 -2.004) 2.073 11.671 ( 5.564 0.000 7.777) 9.563 11.772 ( -6.455 -0.000 -7.706) 10.052 12.178 ( -0.318 -0.000 -1.880) 1.907 12.262 ( 7.599 0.000 1.045) 7.671 12.337 ( 14.636 0.000 4.718) 15.378 12.662 ( -1.913 -0.000 -1.830) 2.647 13.144 ( -8.694 -0.000 11.731) 14.601 13.444 ( 2.677 0.000 -7.945) 8.384 15.243 ( -10.310 -0.000 9.187) 13.809 16.164 ( -4.733 -0.000 -1.980) 5.130 16.853 ( 1.203 0.000 -0.264) 1.232 17.061 ( 12.302 0.000 -6.085) 13.725 ======================= Grid point 362 (177/282) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -1.045 15.686 7.182) 17.284 2.295 ( -0.820 -14.976 1.781) 15.104 2.426 ( -5.354 8.022 8.875) 13.106 2.735 ( -5.235 -4.915 8.990) 11.506 2.979 ( 6.986 -0.666 11.069) 13.106 3.368 ( -5.028 0.429 1.626) 5.302 3.647 ( 0.952 0.979 -4.820) 5.010 3.789 ( 0.215 1.414 3.209) 3.514 3.831 ( 0.581 2.711 5.250) 5.938 4.080 ( -0.993 -0.812 -8.138) 8.238 4.441 ( -0.008 8.559 -1.335) 8.663 4.611 ( -3.044 -2.443 1.607) 4.221 4.806 ( -7.663 -4.347 5.333) 10.298 5.033 ( -3.049 0.444 -9.873) 10.343 5.397 ( -3.343 2.228 -8.238) 9.165 5.532 ( 0.991 1.256 -4.643) 4.911 6.299 ( 0.156 2.203 4.490) 5.004 6.653 ( 0.318 -6.641 0.576) 6.674 6.763 ( -0.078 10.880 -3.179) 11.335 6.937 ( -0.549 -10.872 -0.395) 10.893 7.501 ( -2.593 -0.721 4.999) 5.678 7.590 ( 2.070 -5.008 1.664) 5.669 7.977 ( 10.114 1.108 -5.998) 11.811 7.994 ( 0.543 1.545 0.560) 1.731 8.208 ( 0.115 -2.070 2.657) 3.370 8.377 ( -5.330 -1.821 0.231) 5.637 8.961 ( 2.855 -0.588 3.125) 4.273 9.145 ( -3.039 0.088 -1.444) 3.366 9.684 ( 9.222 2.270 -2.445) 9.807 9.781 ( -0.750 7.865 -11.957) 14.332 10.036 ( 2.198 -3.948 -0.618) 4.560 10.105 ( -2.246 -9.029 -5.457) 10.786 10.512 ( -6.922 1.036 1.936) 7.262 10.764 ( 8.013 -0.185 -10.769) 13.424 11.154 ( 0.844 3.464 -5.076) 6.203 11.217 ( -0.652 0.274 -3.559) 3.629 11.554 ( -7.457 -0.037 -11.551) 13.749 11.796 ( 0.134 2.345 2.917) 3.745 12.098 ( -3.110 -0.868 0.529) 3.272 12.404 ( 10.277 0.677 -2.262) 10.545 12.526 ( 1.265 -1.289 -0.842) 1.993 12.637 ( 3.289 1.196 1.683) 3.884 13.121 ( -10.523 1.544 14.474) 17.961 13.506 ( 8.821 -1.834 -1.041) 9.070 15.201 ( -7.484 1.408 10.626) 13.073 16.074 ( -2.855 0.156 -3.801) 4.756 16.838 ( -1.155 1.525 -1.311) 2.319 17.109 ( 4.622 2.026 -8.532) 9.913 ======================= Grid point 363 (178/282) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.344 10.523 14.523) 17.985 2.383 ( 1.694 6.517 6.868) 9.618 2.447 ( -1.032 -7.619 7.509) 10.747 2.803 ( -0.133 -5.100 5.122) 7.229 3.194 ( 6.239 0.220 9.834) 11.648 3.331 ( -3.260 0.245 4.394) 5.476 3.583 ( -0.685 1.199 -6.404) 6.551 3.787 ( -3.178 3.038 4.387) 6.211 3.864 ( 1.954 4.782 1.825) 5.479 3.966 ( -1.816 -0.122 -6.390) 6.645 4.383 ( 1.109 10.914 2.371) 11.223 4.548 ( -4.277 -1.907 -3.626) 5.923 4.841 ( -3.221 -7.254 5.142) 9.457 4.896 ( -0.608 0.896 -9.939) 9.998 5.266 ( -1.287 0.024 -9.208) 9.297 5.508 ( 5.623 3.525 -5.966) 8.924 6.286 ( 0.247 8.936 2.638) 9.320 6.616 ( -0.443 12.693 -3.762) 13.246 6.806 ( 2.964 -15.815 1.777) 16.188 7.016 ( -0.135 -11.455 -0.164) 11.457 7.527 ( -1.843 -2.258 5.050) 5.831 7.686 ( 1.640 -7.916 0.974) 8.142 7.948 ( -2.621 2.801 -2.370) 4.509 8.012 ( 4.359 2.498 -6.583) 8.281 8.280 ( 3.201 -3.829 0.417) 5.008 8.345 ( -0.888 -2.427 -0.800) 2.706 9.089 ( 2.701 -0.877 7.289) 7.823 9.113 ( -2.505 -0.498 7.530) 7.952 9.614 ( -0.702 5.216 -7.108) 8.844 9.793 ( 10.021 3.208 -0.720) 10.546 10.063 ( -3.788 0.273 2.098) 4.339 10.106 ( 0.449 -9.845 -4.979) 11.041 10.471 ( -0.633 -4.260 0.878) 4.395 10.756 ( 6.417 -0.575 -12.893) 14.413 11.048 ( -1.220 10.237 -5.365) 11.622 11.149 ( 1.121 -0.429 -11.306) 11.369 11.380 ( -1.356 -1.207 -9.178) 9.356 11.653 ( -8.939 2.104 -7.953) 12.149 12.165 ( 3.824 0.712 5.625) 6.839 12.386 ( -8.539 3.247 -3.446) 9.763 12.571 ( 6.608 -3.645 1.341) 7.665 12.696 ( -0.774 0.226 2.281) 2.419 13.077 ( -12.167 1.341 14.221) 18.763 13.681 ( 11.908 -0.657 1.107) 11.977 15.202 ( -3.406 3.119 10.383) 11.364 16.002 ( 1.055 2.981 -5.983) 6.768 16.773 ( -3.362 2.801 -1.288) 4.562 17.026 ( -1.093 3.237 -7.871) 8.580 ======================= Grid point 364 (179/282) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -1.035 5.927 16.746) 17.795 2.487 ( 9.095 9.375 10.349) 16.665 2.565 ( -1.696 -8.103 7.501) 11.172 2.901 ( 4.673 -3.523 -0.000) 5.852 3.295 ( 1.170 2.304 0.177) 2.590 3.373 ( 0.802 -1.449 5.861) 6.090 3.492 ( -3.208 1.702 -2.487) 4.401 3.719 ( -2.820 4.277 -1.647) 5.381 3.849 ( 1.976 0.190 -4.264) 4.704 3.983 ( 1.044 5.553 13.052) 14.223 4.345 ( 2.125 10.606 1.025) 10.865 4.473 ( -1.216 -3.802 -5.962) 7.175 4.790 ( 0.272 -0.456 -7.402) 7.421 4.908 ( -0.600 -4.881 1.913) 5.277 5.182 ( 0.963 -1.569 -8.542) 8.738 5.537 ( 9.823 4.119 -6.379) 12.416 6.252 ( 2.631 9.985 1.533) 10.439 6.473 ( 0.729 12.430 -5.033) 13.430 6.990 ( 1.973 -15.382 1.667) 15.597 7.103 ( 0.085 -11.702 -0.623) 11.719 7.577 ( -2.090 -4.963 4.537) 7.042 7.761 ( -0.665 -5.979 -0.887) 6.081 7.834 ( -4.560 1.266 -3.457) 5.861 7.954 ( -0.679 3.189 -5.599) 6.479 8.351 ( 3.058 -3.746 -1.581) 5.087 8.385 ( 4.740 -3.230 -0.962) 5.816 9.118 ( -4.570 -0.921 10.394) 11.391 9.268 ( 3.029 -2.015 9.555) 10.224 9.547 ( 0.006 1.564 -0.901) 1.805 9.916 ( 5.864 4.615 3.429) 8.212 10.051 ( 2.141 -2.991 -0.326) 3.693 10.089 ( -2.541 0.510 -0.936) 2.755 10.582 ( 5.069 -9.931 0.818) 11.180 10.717 ( 4.695 -0.418 -13.753) 14.538 10.894 ( 0.037 10.635 -4.188) 11.430 11.045 ( 1.414 0.066 -13.963) 14.035 11.335 ( 3.831 -0.103 -8.275) 9.119 11.420 ( -6.278 1.351 -9.014) 11.068 12.102 ( -15.742 6.105 -2.281) 17.038 12.277 ( 1.337 0.776 4.098) 4.380 12.649 ( -7.281 0.151 1.762) 7.493 12.708 ( 2.649 -4.607 3.375) 6.296 13.025 ( -9.032 1.142 11.722) 14.842 13.878 ( 11.734 0.314 1.010) 11.782 15.258 ( 1.793 3.949 9.248) 10.214 15.931 ( 4.654 7.652 -9.149) 12.803 16.671 ( -6.569 2.908 0.504) 7.201 16.904 ( -3.112 2.752 -4.819) 6.362 ======================= Grid point 365 (180/282) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -2.400 3.476 14.494) 15.097 2.630 ( -0.044 4.075 11.868) 12.548 2.708 ( 5.554 -2.773 7.107) 9.437 2.979 ( 6.257 -1.857 -5.910) 8.805 3.265 ( -0.478 1.854 -2.251) 2.956 3.334 ( -0.739 1.233 -10.914) 11.008 3.520 ( -1.476 0.332 13.447) 13.532 3.647 ( -0.149 3.383 -1.930) 3.898 3.827 ( -2.288 1.198 1.003) 2.770 4.091 ( 2.678 4.658 3.865) 6.619 4.330 ( 5.128 12.368 9.088) 16.182 4.472 ( 4.139 -6.018 -7.431) 10.420 4.771 ( 3.405 -1.892 -3.723) 5.389 4.948 ( -0.217 -3.227 1.913) 3.758 5.151 ( 3.153 -3.150 -8.027) 9.181 5.609 ( 12.109 4.441 -7.205) 14.773 6.249 ( 4.979 8.844 0.700) 10.173 6.364 ( 2.743 9.748 -4.546) 11.100 7.122 ( 0.453 -11.778 0.173) 11.787 7.175 ( -0.914 -10.084 -1.212) 10.198 7.559 ( -7.958 -2.968 -2.745) 8.926 7.710 ( -2.382 -3.567 0.082) 4.290 7.793 ( -3.813 1.111 -0.844) 4.061 7.879 ( -1.943 -2.891 -1.488) 3.788 8.435 ( 6.118 -4.786 -0.855) 7.814 8.505 ( 7.932 -3.866 -0.074) 8.824 9.184 ( -4.104 -2.669 13.404) 14.270 9.392 ( 2.126 -3.340 2.557) 4.713 9.542 ( -1.416 0.661 2.765) 3.177 9.939 ( -3.357 5.218 8.486) 10.513 10.027 ( -1.034 -1.926 -2.963) 3.682 10.208 ( 11.678 2.294 3.608) 12.436 10.581 ( 2.213 5.400 -12.831) 14.096 10.760 ( 0.982 -6.090 -0.506) 6.189 10.821 ( 1.040 3.185 -5.891) 6.777 10.931 ( 3.044 1.912 -10.223) 10.837 11.214 ( -0.868 -0.390 -7.763) 7.821 11.421 ( 9.744 0.867 -4.040) 10.584 11.769 ( -16.471 6.192 -2.512) 17.775 12.306 ( -2.395 1.547 4.058) 4.959 12.517 ( -11.869 0.686 2.524) 12.153 12.753 ( -4.619 -2.410 3.029) 6.026 13.050 ( -0.568 -3.844 6.442) 7.523 14.039 ( 9.270 1.270 -0.237) 9.359 15.381 ( 6.700 3.631 8.581) 11.476 15.858 ( 8.162 9.710 -10.894) 16.721 16.535 ( -10.687 2.596 2.480) 11.274 16.804 ( -2.843 3.020 -1.652) 4.465 ======================= Grid point 366 (181/282) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -3.678 1.302 10.690) 11.380 2.699 ( -3.524 1.284 12.659) 13.203 2.812 ( -0.742 -0.845 1.700) 2.038 2.999 ( 5.392 -1.103 -12.347) 13.519 3.208 ( -1.942 1.681 -6.537) 7.024 3.242 ( 0.417 0.746 1.826) 2.016 3.588 ( 1.516 6.227 2.795) 6.992 3.626 ( -0.508 -1.606 -0.191) 1.695 3.783 ( -3.298 4.030 2.813) 5.919 4.067 ( 0.186 5.390 1.137) 5.512 4.490 ( 7.299 11.130 13.578) 19.014 4.525 ( 6.543 -6.715 -7.227) 11.838 4.850 ( 5.797 -4.360 0.501) 7.271 5.015 ( 3.009 -3.360 3.384) 5.639 5.168 ( 5.210 -5.159 -7.773) 10.685 5.677 ( 11.275 4.905 -8.867) 15.160 6.281 ( 6.524 7.618 0.707) 10.055 6.325 ( 4.936 6.284 -2.664) 8.423 7.181 ( -5.256 -11.253 -2.419) 12.653 7.201 ( 0.641 -4.191 -0.701) 4.297 7.413 ( -7.334 -2.840 -4.056) 8.849 7.674 ( -5.018 2.320 -0.092) 5.529 7.739 ( -3.572 -5.303 1.646) 6.603 7.868 ( -3.094 -3.386 -0.280) 4.596 8.614 ( 11.076 -7.638 1.257) 13.513 8.681 ( 10.173 -5.526 0.195) 11.579 9.265 ( -3.800 -2.223 8.590) 9.652 9.417 ( -0.836 -4.842 -6.286) 7.978 9.557 ( -3.046 -0.858 8.938) 9.482 9.913 ( -7.950 4.656 10.799) 14.194 10.037 ( 4.098 1.232 -2.725) 5.073 10.397 ( 8.851 2.860 -1.366) 9.402 10.455 ( 2.005 5.109 -2.779) 6.152 10.630 ( -11.364 11.389 4.000) 16.578 10.713 ( 3.871 0.143 -20.200) 20.568 10.952 ( 6.284 2.161 -0.712) 6.683 11.295 ( 7.969 -8.881 1.297) 12.002 11.485 ( -5.263 3.892 -5.113) 8.306 11.566 ( 8.342 1.864 -0.593) 8.569 12.241 ( -10.155 1.480 2.772) 10.630 12.361 ( -10.667 1.184 5.226) 11.937 12.694 ( -5.878 -1.049 0.552) 5.997 13.162 ( 2.439 -8.658 1.781) 9.169 14.125 ( 5.540 2.104 -3.062) 6.670 15.576 ( 10.190 2.174 9.303) 13.968 15.839 ( 12.026 7.581 -10.385) 17.605 16.350 ( -14.233 2.980 3.590) 14.979 16.734 ( -1.823 4.905 0.587) 5.266 ======================= Grid point 372 (182/282) ======================= q-point: (-0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.838 -0.000 7.028) 7.077 2.260 ( 0.467 0.000 10.282) 10.292 2.505 ( 1.550 0.000 7.430) 7.590 2.747 ( -1.701 -0.000 8.462) 8.632 3.196 ( 6.703 -0.000 10.139) 12.154 3.333 ( -3.234 -0.000 3.873) 5.046 3.591 ( -0.485 -0.000 -7.547) 7.562 3.813 ( -1.858 0.000 2.661) 3.245 3.898 ( 1.636 -0.000 0.158) 1.643 3.956 ( -2.167 -0.000 -5.301) 5.727 4.496 ( 1.353 0.000 0.937) 1.646 4.532 ( -5.039 -0.000 -2.965) 5.847 4.770 ( -2.867 -0.000 7.319) 7.861 4.902 ( -1.030 -0.000 -10.182) 10.234 5.270 ( -1.875 -0.000 -9.174) 9.364 5.537 ( 4.953 -0.000 -5.200) 7.182 6.394 ( 1.243 0.000 7.235) 7.341 6.627 ( 1.679 -0.000 -0.616) 1.788 6.813 ( 0.490 -0.000 -3.539) 3.573 6.843 ( -0.807 0.000 -1.192) 1.440 7.519 ( -0.986 -0.000 4.380) 4.490 7.612 ( 1.569 0.000 1.346) 2.067 7.972 ( -3.003 0.000 -2.453) 3.877 8.031 ( 4.681 -0.000 -6.828) 8.278 8.248 ( 3.524 -0.000 0.753) 3.603 8.327 ( -0.586 -0.000 -0.714) 0.924 9.082 ( 4.363 -0.000 8.955) 9.962 9.107 ( -4.426 -0.000 5.660) 7.186 9.676 ( -1.199 -0.000 -11.243) 11.307 9.812 ( 10.054 -0.000 -4.055) 10.841 9.993 ( 2.288 0.000 -3.005) 3.777 10.080 ( -1.081 0.000 4.804) 4.924 10.446 ( -4.821 -0.000 3.097) 5.730 10.752 ( 7.510 -0.000 -15.036) 16.807 11.121 ( 2.785 0.000 -11.025) 11.371 11.159 ( -2.428 -0.000 -3.759) 4.475 11.369 ( -2.266 -0.000 -8.736) 9.025 11.666 ( -9.578 0.000 -9.680) 13.617 12.171 ( 4.897 -0.000 6.091) 7.815 12.415 ( -10.008 -0.000 -2.915) 10.424 12.538 ( 7.316 -0.000 1.358) 7.441 12.698 ( -0.459 -0.000 1.425) 1.497 13.088 ( -11.985 -0.000 13.887) 18.343 13.675 ( 11.925 -0.000 2.147) 12.117 15.229 ( -3.741 -0.000 11.251) 11.857 16.023 ( 1.332 0.000 -4.453) 4.648 16.796 ( -3.165 0.000 -1.599) 3.546 17.051 ( -1.238 -0.000 -8.914) 8.999 ======================= Grid point 374 (183/282) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -1.024 5.854 10.983) 12.488 2.427 ( 0.108 -7.032 11.982) 13.893 2.631 ( 7.447 6.346 8.557) 12.998 2.839 ( 3.579 -3.767 3.156) 6.080 3.326 ( 1.429 1.690 1.344) 2.590 3.352 ( 0.030 -1.351 4.547) 4.743 3.503 ( -2.217 0.123 -4.398) 4.926 3.775 ( -3.346 2.723 -0.313) 4.326 3.838 ( 2.155 -1.368 -7.655) 8.070 4.027 ( 2.522 0.978 10.404) 10.750 4.428 ( -3.817 -1.133 -3.807) 5.509 4.495 ( 0.810 5.657 0.762) 5.765 4.790 ( -0.545 1.290 -2.633) 2.982 4.842 ( 2.146 -3.995 -2.857) 5.360 5.181 ( 0.883 0.634 -6.530) 6.620 5.581 ( 8.907 1.450 -6.223) 10.962 6.424 ( 1.554 11.443 4.996) 12.583 6.672 ( -0.094 10.167 -2.063) 10.375 6.750 ( 2.833 -10.629 -0.616) 11.018 6.906 ( -0.086 -13.749 -2.161) 13.918 7.548 ( -0.369 0.479 3.278) 3.334 7.663 ( 0.900 -4.883 0.729) 5.019 7.856 ( -6.408 0.911 -4.803) 8.060 7.991 ( -0.728 1.335 -6.102) 6.289 8.314 ( 4.884 -1.071 -1.843) 5.329 8.346 ( 3.964 -1.539 -1.187) 4.415 9.117 ( -5.165 0.561 11.281) 12.420 9.226 ( 1.516 -2.356 7.914) 8.395 9.576 ( 0.124 1.591 -4.494) 4.769 9.923 ( 6.987 -3.965 -4.600) 9.257 10.023 ( 4.069 4.453 1.485) 6.212 10.134 ( 0.722 -0.024 6.271) 6.313 10.458 ( 1.578 -4.468 2.804) 5.506 10.709 ( 7.131 -0.457 -16.587) 18.060 11.030 ( -0.496 4.499 -8.405) 9.546 11.057 ( -0.698 1.771 -8.116) 8.336 11.332 ( 5.538 -0.241 -5.940) 8.124 11.419 ( -7.107 -0.838 -12.171) 14.119 12.171 ( -16.892 2.515 -1.617) 17.155 12.287 ( 2.539 0.381 4.597) 5.266 12.649 ( -5.477 -0.260 2.192) 5.905 12.654 ( 1.220 -1.819 2.885) 3.622 13.041 ( -9.764 0.635 11.099) 14.796 13.880 ( 11.676 0.032 1.947) 11.837 15.307 ( 0.892 1.887 10.577) 10.781 16.011 ( 4.222 2.564 -5.819) 7.633 16.708 ( -6.221 1.499 -0.784) 6.447 16.928 ( -3.425 0.644 -6.597) 7.461 ======================= Grid point 375 (184/282) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -3.052 2.957 11.270) 12.044 2.588 ( -3.002 -4.549 15.217) 16.164 2.778 ( 8.031 6.961 5.881) 12.146 2.945 ( 5.685 -2.944 -2.528) 6.883 3.291 ( -0.225 1.527 -5.029) 5.261 3.335 ( 0.374 -0.759 -11.247) 11.279 3.512 ( -2.613 -0.755 14.360) 14.615 3.692 ( -3.321 2.101 -2.226) 4.517 3.841 ( 2.505 0.595 -1.236) 2.856 4.160 ( 4.863 3.951 4.849) 7.923 4.382 ( 1.499 -5.240 -5.630) 7.835 4.483 ( 1.285 6.239 5.782) 8.602 4.757 ( 1.502 1.459 -1.658) 2.671 4.898 ( 3.766 -4.210 -2.047) 6.008 5.153 ( 2.921 2.679 -3.445) 5.252 5.659 ( 11.397 1.900 -7.300) 13.667 6.401 ( 2.683 11.276 1.936) 11.752 6.542 ( 1.375 13.245 -3.601) 13.794 6.897 ( -0.139 -16.020 0.189) 16.022 6.999 ( 0.970 -13.356 -1.536) 13.479 7.529 ( -5.258 -0.209 -1.589) 5.497 7.679 ( -2.951 -1.418 -1.654) 3.668 7.755 ( -1.660 -3.777 0.517) 4.158 7.884 ( -4.480 1.704 -3.851) 6.148 8.385 ( 6.158 -1.638 -1.694) 6.593 8.445 ( 7.475 -3.545 -1.188) 8.358 9.159 ( -4.984 -0.480 13.201) 14.118 9.315 ( -0.333 -5.411 1.915) 5.749 9.562 ( 1.072 1.674 0.959) 2.207 9.958 ( -0.668 -4.637 -1.911) 5.059 10.056 ( 1.431 8.686 4.895) 10.072 10.255 ( 8.199 1.280 5.713) 10.074 10.610 ( 8.691 -8.227 -1.198) 12.027 10.635 ( 4.481 0.678 -17.685) 18.257 10.895 ( -2.417 5.360 -3.496) 6.840 10.979 ( 1.957 2.104 -7.276) 7.822 11.219 ( -1.869 0.660 -10.396) 10.583 11.432 ( 10.653 0.391 -2.501) 10.950 11.850 ( -19.578 4.039 -0.008) 19.990 12.328 ( -2.157 1.113 3.773) 4.487 12.522 ( -11.880 0.055 2.500) 12.140 12.713 ( -1.534 -2.312 2.580) 3.788 13.013 ( -4.787 -1.141 6.430) 8.097 14.053 ( 9.294 0.551 0.391) 9.319 15.435 ( 5.323 2.924 9.551) 11.319 15.986 ( 5.894 6.296 -7.837) 11.653 16.571 ( -10.386 1.907 1.490) 10.664 16.831 ( -2.239 0.701 -2.807) 3.658 ======================= Grid point 376 (185/282) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -5.643 0.757 9.821) 11.352 2.688 ( -7.955 -1.921 16.344) 18.278 2.841 ( 2.118 3.733 -0.889) 4.384 2.994 ( 5.331 0.230 -8.616) 10.135 3.223 ( -0.501 0.486 -8.811) 8.839 3.249 ( -0.045 0.067 0.136) 0.158 3.594 ( 0.319 -1.413 -8.485) 8.607 3.646 ( -3.497 0.716 15.858) 16.254 3.859 ( 2.003 5.256 1.737) 5.887 4.162 ( 2.292 6.572 -3.926) 7.992 4.421 ( 4.901 -6.479 -7.383) 10.977 4.611 ( 5.654 2.151 13.406) 14.707 4.784 ( 1.537 -1.409 2.161) 3.003 4.991 ( 7.196 -1.431 -0.159) 7.338 5.149 ( 3.388 3.361 -2.171) 5.243 5.739 ( 11.085 2.707 -8.887) 14.464 6.369 ( 2.036 6.070 -1.359) 6.545 6.476 ( 5.477 11.751 -0.694) 12.983 6.972 ( -4.008 -14.983 -2.570) 15.722 7.100 ( 1.369 -9.807 -0.459) 9.912 7.382 ( -7.846 -0.757 -3.986) 8.833 7.659 ( -1.654 -1.858 0.449) 2.528 7.729 ( -5.457 1.425 0.703) 5.684 7.814 ( -1.873 -3.439 -0.598) 3.962 8.517 ( 9.277 -4.740 0.395) 10.425 8.590 ( 8.361 -5.839 -1.883) 10.371 9.225 ( -4.603 -2.391 11.640) 12.743 9.326 ( -2.281 -5.847 -4.440) 7.687 9.576 ( -0.065 2.999 3.639) 4.716 9.977 ( -0.427 -2.261 -0.228) 2.312 10.047 ( -0.440 6.066 5.686) 8.326 10.421 ( 5.893 -0.153 -1.529) 6.090 10.516 ( 4.086 3.049 -6.626) 8.361 10.702 ( 7.162 -0.464 -17.906) 19.291 10.820 ( -2.286 9.565 6.241) 11.648 10.964 ( 4.646 -0.066 -2.040) 5.075 11.187 ( 5.325 -4.023 -2.244) 7.041 11.543 ( -10.280 3.592 -0.984) 10.934 11.606 ( 8.657 2.538 2.095) 9.262 12.263 ( -10.890 1.129 2.718) 11.280 12.362 ( -11.947 -1.058 4.519) 12.817 12.692 ( -3.519 0.745 0.468) 3.628 13.046 ( -0.025 -6.013 1.520) 6.202 14.149 ( 5.382 1.101 -2.696) 6.120 15.612 ( 8.564 2.347 9.243) 12.817 15.955 ( 8.185 7.062 -8.928) 14.020 16.391 ( -14.381 2.171 3.921) 15.063 16.792 ( -0.107 2.515 0.376) 2.546 ======================= Grid point 377 (186/282) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -9.033 -1.370 8.299) 12.343 2.658 ( -17.013 -4.045 8.828) 19.590 2.810 ( 1.497 3.081 -3.104) 4.623 2.916 ( 1.516 1.930 -13.087) 13.315 3.157 ( -0.241 1.658 -1.277) 2.107 3.307 ( 1.169 -0.816 6.795) 6.943 3.529 ( 1.036 -3.216 -9.174) 9.776 3.688 ( -4.296 5.365 6.802) 9.670 3.855 ( 2.467 7.336 1.097) 7.817 4.115 ( -1.288 4.411 2.146) 5.071 4.482 ( 5.758 -8.432 -8.581) 13.337 4.763 ( 1.820 8.340 10.299) 13.377 4.895 ( 4.150 -8.269 5.231) 10.628 5.092 ( 5.161 0.066 -3.413) 6.188 5.217 ( 7.978 0.287 4.528) 9.178 5.757 ( 7.021 3.832 -11.073) 13.660 6.375 ( 2.699 -0.100 0.418) 2.733 6.493 ( 7.662 11.023 0.433) 13.432 6.960 ( -6.851 -12.754 -4.134) 15.057 7.179 ( 2.189 -4.963 -0.824) 5.487 7.268 ( -4.213 -2.423 -1.589) 5.113 7.620 ( -3.769 1.240 0.734) 4.035 7.679 ( -2.153 -1.583 1.019) 2.860 7.798 ( -2.956 -1.796 -0.319) 3.474 8.725 ( 10.223 -9.314 -6.301) 15.198 8.771 ( 9.856 -9.684 3.909) 14.359 9.242 ( -4.679 -0.974 -1.702) 5.073 9.251 ( -6.311 -2.853 -0.945) 6.990 9.603 ( -1.375 -0.854 6.863) 7.051 9.901 ( -6.104 3.272 -2.679) 7.426 10.076 ( 1.220 2.832 1.489) 3.424 10.355 ( 2.586 3.961 -8.544) 9.766 10.559 ( -2.030 4.823 -9.497) 10.843 10.666 ( 3.348 3.070 11.046) 11.943 10.783 ( 9.068 13.928 2.097) 16.752 11.065 ( 7.533 -0.833 0.247) 7.583 11.350 ( 8.886 -8.994 -1.327) 12.713 11.394 ( -2.779 0.280 -0.502) 2.838 11.777 ( 10.247 4.813 3.646) 11.894 12.043 ( -18.575 0.595 2.854) 18.803 12.289 ( -7.488 -3.125 6.728) 10.540 12.623 ( -2.751 2.499 -1.454) 3.991 13.110 ( 0.345 -9.113 -2.154) 9.370 14.145 ( 1.488 1.485 -6.737) 7.058 15.834 ( 8.835 0.922 9.025) 12.663 15.947 ( 6.120 3.860 -7.976) 10.769 16.209 ( -10.641 2.451 5.856) 12.391 16.784 ( 1.739 5.637 1.370) 6.056 ======================= Grid point 384 (187/282) ======================= q-point: (-0.40 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -3.428 -0.000 8.323) 9.001 2.548 ( -2.318 -0.000 18.554) 18.698 2.862 ( 9.131 0.000 5.269) 10.542 2.894 ( 3.837 0.000 -1.356) 4.070 3.308 ( -0.077 -0.000 -8.314) 8.314 3.322 ( 0.728 0.000 -8.787) 8.817 3.506 ( -3.229 -0.000 14.254) 14.615 3.708 ( -5.118 -0.000 -2.575) 5.729 3.846 ( 5.273 0.000 -1.530) 5.491 4.197 ( 7.108 0.000 6.372) 9.546 4.333 ( -1.386 -0.000 -5.559) 5.729 4.524 ( -0.779 -0.000 2.578) 2.693 4.802 ( -0.625 -0.000 -0.748) 0.974 4.836 ( 7.117 0.000 -2.857) 7.669 5.183 ( 3.592 0.000 -1.642) 3.950 5.671 ( 10.720 0.000 -7.339) 12.991 6.554 ( -0.225 -0.000 6.222) 6.226 6.702 ( 0.920 0.000 -4.053) 4.156 6.731 ( -0.243 -0.000 -0.966) 0.996 6.809 ( 3.263 0.000 -3.236) 4.596 7.536 ( -4.603 -0.000 -2.697) 5.335 7.660 ( 0.453 0.000 0.493) 0.670 7.725 ( -4.210 -0.000 -1.137) 4.361 7.899 ( -4.963 -0.000 -4.035) 6.396 8.378 ( 6.130 0.000 -1.819) 6.394 8.412 ( 7.244 0.000 -1.750) 7.453 9.161 ( -5.653 -0.000 13.098) 14.266 9.264 ( -0.707 -0.000 2.116) 2.230 9.579 ( 2.406 0.000 0.335) 2.429 9.915 ( -0.172 -0.000 -2.181) 2.188 10.179 ( 9.086 0.000 -1.188) 9.163 10.212 ( 0.107 0.000 9.042) 9.043 10.544 ( 8.717 0.000 3.182) 9.280 10.639 ( 6.079 0.000 -18.698) 19.661 10.957 ( -3.582 -0.000 -4.406) 5.678 10.980 ( 1.910 0.000 -7.691) 7.924 11.225 ( -1.366 -0.000 -11.044) 11.128 11.434 ( 11.509 0.000 -1.614) 11.622 11.883 ( -20.460 -0.000 0.751) 20.474 12.337 ( -2.432 -0.000 3.647) 4.383 12.522 ( -11.835 -0.000 2.366) 12.070 12.694 ( -0.156 -0.000 2.578) 2.582 13.006 ( -6.218 -0.000 6.263) 8.825 14.057 ( 9.281 0.000 0.635) 9.303 15.459 ( 4.694 0.000 9.872) 10.931 16.036 ( 4.990 0.000 -6.026) 7.824 16.587 ( -10.270 -0.000 0.684) 10.293 16.834 ( -1.933 -0.000 -3.342) 3.861 ======================= Grid point 386 (188/282) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -6.716 0.181 8.726) 11.013 2.664 ( -8.281 -0.912 18.071) 19.899 2.893 ( 1.869 2.230 -4.275) 5.172 2.998 ( 5.119 0.132 -3.066) 5.968 3.228 ( 0.751 0.245 -7.376) 7.418 3.245 ( -0.013 -0.444 -4.738) 4.759 3.579 ( 0.949 -0.513 -10.455) 10.510 3.643 ( -7.253 -0.475 20.919) 22.145 3.925 ( 5.742 2.687 1.044) 6.425 4.248 ( 2.452 4.034 -6.737) 8.227 4.337 ( 5.255 -4.021 -6.482) 9.263 4.591 ( 2.348 -1.738 9.990) 10.408 4.785 ( 0.277 0.012 0.056) 0.283 4.980 ( 10.080 -0.001 3.179) 10.570 5.222 ( 2.910 3.891 1.128) 4.988 5.757 ( 10.216 -0.010 -8.413) 13.234 6.502 ( -1.477 11.277 -1.701) 11.500 6.646 ( 0.668 4.469 0.187) 4.522 6.761 ( 0.606 -6.382 -2.856) 7.018 6.915 ( 2.992 -13.136 -0.729) 13.492 7.383 ( -7.595 0.295 -4.531) 8.848 7.657 ( -0.508 1.272 0.338) 1.410 7.720 ( -1.143 -2.353 1.167) 2.864 7.785 ( -5.338 -0.216 -1.257) 5.488 8.473 ( 7.217 -1.022 0.629) 7.316 8.517 ( 7.860 -3.047 -3.674) 9.195 9.201 ( -5.516 -0.643 12.223) 13.425 9.258 ( -1.952 -2.611 -1.788) 3.718 9.631 ( 3.639 3.061 0.822) 4.826 9.901 ( 0.161 -4.288 -2.854) 5.153 10.192 ( 0.211 10.675 3.237) 11.157 10.350 ( 2.924 -8.682 -1.371) 9.263 10.552 ( 4.785 1.326 -7.889) 9.321 10.713 ( 12.331 1.309 -8.838) 15.228 10.902 ( 1.518 2.124 1.688) 3.109 10.963 ( 1.774 -0.357 -1.683) 2.471 11.165 ( 4.637 0.147 -5.557) 7.239 11.588 ( -15.941 1.754 1.746) 16.132 11.634 ( 11.201 1.025 3.454) 11.766 12.272 ( -10.237 0.143 2.635) 10.571 12.343 ( -15.450 -0.829 4.174) 16.025 12.707 ( 0.349 0.764 0.197) 0.863 12.983 ( -2.402 -2.100 1.406) 3.487 14.160 ( 5.238 0.315 -2.518) 5.820 15.640 ( 7.358 1.017 9.066) 11.720 16.037 ( 5.378 3.021 -7.460) 9.680 16.414 ( -14.381 0.799 3.701) 14.871 16.814 ( 1.200 0.529 0.274) 1.340 ======================= Grid point 387 (189/282) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -10.903 -0.891 8.621) 13.928 2.610 ( -18.646 -2.079 9.205) 20.898 2.849 ( 1.951 1.897 -6.258) 6.824 2.952 ( 0.672 2.406 -10.114) 10.418 3.185 ( 0.217 2.258 0.589) 2.344 3.281 ( 0.473 -2.581 5.502) 6.095 3.490 ( 2.077 -1.812 -11.611) 11.933 3.727 ( -8.646 0.194 16.714) 18.819 3.968 ( 3.340 7.385 -0.231) 8.108 4.188 ( 2.951 3.687 -6.090) 7.706 4.360 ( 4.263 -6.463 -9.595) 12.329 4.781 ( 5.091 -4.031 9.344) 11.379 4.817 ( 1.190 -2.378 1.766) 3.192 5.159 ( 6.527 6.640 5.269) 10.698 5.248 ( 5.009 3.258 4.082) 7.236 5.796 ( 6.292 0.933 -9.938) 11.799 6.394 ( -0.977 3.722 -2.125) 4.396 6.646 ( 2.739 4.815 0.804) 5.597 6.770 ( -1.332 -7.046 -4.020) 8.221 7.053 ( 3.572 -10.486 0.108) 11.078 7.259 ( -3.802 0.237 -1.821) 4.222 7.635 ( -2.166 0.989 0.402) 2.415 7.683 ( -2.264 1.454 1.069) 2.895 7.762 ( -1.140 -2.879 -0.231) 3.105 8.604 ( 7.836 -5.861 -7.840) 12.539 8.648 ( 7.523 -5.780 4.558) 10.525 9.203 ( -4.397 -2.051 -3.188) 5.806 9.230 ( -6.098 -1.318 8.684) 10.693 9.629 ( 0.509 3.644 -1.802) 4.097 9.894 ( -1.101 -3.809 -8.228) 9.133 10.140 ( 1.961 5.638 0.522) 5.992 10.389 ( 4.933 -0.111 -3.547) 6.077 10.641 ( 1.412 5.372 -8.982) 10.561 10.681 ( 5.032 0.839 6.199) 8.029 10.992 ( 6.244 9.832 2.441) 11.900 11.016 ( 6.146 -4.779 1.299) 7.893 11.259 ( 8.614 -2.157 0.449) 8.891 11.396 ( -7.440 -0.358 1.789) 7.661 11.838 ( 9.260 2.944 2.978) 10.163 12.065 ( -17.890 2.241 3.948) 18.457 12.208 ( -11.307 -6.172 6.762) 14.549 12.686 ( 0.223 4.519 -1.540) 4.779 12.993 ( -0.118 -5.889 -2.465) 6.385 14.160 ( 1.177 0.540 -6.591) 6.717 15.846 ( 8.749 0.550 8.613) 12.289 16.000 ( 1.766 2.768 -8.538) 9.148 16.240 ( -11.768 1.467 6.698) 13.620 16.849 ( 3.017 2.752 1.723) 4.432 ======================= Grid point 388 (190/282) ======================= q-point: (-0.10 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -14.807 -2.757 9.303) 17.703 2.334 ( -24.133 -4.507 -1.207) 24.580 2.806 ( 2.894 1.986 -8.205) 8.924 2.843 ( -1.394 1.820 -4.949) 5.455 3.200 ( -2.422 2.591 8.080) 8.824 3.351 ( -3.452 -4.282 5.685) 7.910 3.454 ( 3.870 -1.398 -6.270) 7.499 3.689 ( -10.060 3.018 8.432) 13.469 3.899 ( -3.806 5.337 -1.919) 6.830 4.178 ( 4.689 6.393 -0.831) 7.972 4.386 ( 3.614 -10.293 -11.036) 15.518 4.871 ( 0.259 -0.514 3.680) 3.725 4.964 ( 4.210 -5.393 5.677) 8.890 5.156 ( 0.423 8.757 2.622) 9.151 5.421 ( 7.812 1.708 7.214) 10.770 5.725 ( 0.520 2.296 -11.792) 12.024 6.386 ( -0.430 -4.092 1.195) 4.285 6.641 ( -3.281 -3.139 -1.221) 4.702 6.777 ( 4.358 2.007 -2.025) 5.208 7.180 ( 3.868 -3.834 -1.215) 5.580 7.238 ( 2.565 -2.330 1.785) 3.898 7.603 ( -0.414 1.360 0.560) 1.528 7.677 ( 1.066 1.171 0.539) 1.673 7.751 ( -1.731 -0.335 0.111) 1.767 8.671 ( 5.430 -8.718 -10.837) 14.931 8.877 ( 6.391 -9.831 4.935) 12.722 9.087 ( -7.842 0.511 -2.648) 8.293 9.181 ( -6.321 0.082 0.211) 6.325 9.595 ( -2.715 -4.002 0.348) 4.849 9.786 ( -0.025 1.759 -9.439) 9.601 10.164 ( 3.326 7.575 1.541) 8.415 10.388 ( 1.153 8.081 -7.190) 10.878 10.534 ( 2.698 4.036 0.812) 4.923 10.810 ( 2.044 2.981 5.680) 6.733 11.044 ( 5.146 5.298 3.036) 7.986 11.175 ( 8.440 -2.817 3.827) 9.686 11.405 ( 6.204 -5.443 2.188) 8.538 11.458 ( 10.945 0.545 0.323) 10.964 11.741 ( -17.987 -0.979 0.132) 18.014 11.940 ( -3.799 0.269 3.421) 5.119 12.274 ( 0.644 -3.140 13.495) 13.870 12.619 ( -0.445 6.382 -2.698) 6.943 13.002 ( -1.321 -7.515 -4.826) 9.029 14.066 ( -1.575 0.757 -10.246) 10.393 15.818 ( -12.739 2.615 -1.882) 13.140 16.088 ( 8.878 -1.634 8.509) 12.406 16.222 ( 3.980 0.018 1.694) 4.326 16.881 ( 3.595 4.800 -0.003) 5.996 ======================= Grid point 396 (191/282) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -11.446 -0.000 8.725) 14.392 2.594 ( -19.198 -0.000 9.354) 21.356 2.864 ( 1.937 0.000 -7.343) 7.594 2.974 ( 0.622 0.000 -9.585) 9.605 3.221 ( -1.352 -0.000 4.539) 4.736 3.240 ( 2.039 0.000 1.482) 2.521 3.475 ( 2.476 0.000 -12.384) 12.629 3.723 ( -11.357 -0.000 21.091) 23.954 4.045 ( 6.513 0.000 0.347) 6.523 4.197 ( 1.236 0.000 -9.913) 9.989 4.317 ( 5.184 0.000 -10.915) 12.084 4.747 ( 5.507 0.000 9.540) 11.015 4.790 ( 0.595 0.000 0.929) 1.103 5.211 ( 11.007 0.000 7.902) 13.550 5.291 ( 0.156 0.000 4.247) 4.250 5.797 ( 5.936 0.000 -8.999) 10.781 6.477 ( -3.874 -0.000 -6.536) 7.598 6.556 ( -4.403 -0.000 0.130) 4.405 6.868 ( 6.080 0.000 0.840) 6.137 6.888 ( 5.471 0.000 -0.821) 5.532 7.262 ( -3.667 -0.000 -1.828) 4.098 7.646 ( -2.571 -0.000 0.747) 2.677 7.713 ( -2.010 -0.000 -0.063) 2.011 7.718 ( 0.283 0.000 0.451) 0.533 8.557 ( 6.914 0.000 -8.258) 10.770 8.603 ( 6.607 0.000 4.857) 8.200 9.188 ( -3.460 -0.000 -2.333) 4.173 9.218 ( -6.902 -0.000 10.419) 12.498 9.673 ( 1.156 0.000 -6.571) 6.672 9.845 ( 0.576 0.000 -5.317) 5.348 10.200 ( 2.880 0.000 -8.219) 8.709 10.375 ( 6.401 0.000 1.847) 6.662 10.653 ( 3.193 0.000 10.778) 11.241 10.735 ( 3.784 0.000 -14.350) 14.841 10.955 ( 3.518 0.000 2.687) 4.427 11.069 ( 8.387 0.000 2.593) 8.778 11.254 ( 11.026 0.000 -0.932) 11.065 11.390 ( -12.167 -0.000 4.556) 12.992 11.862 ( 8.175 0.000 2.240) 8.477 12.101 ( -14.195 -0.000 1.659) 14.292 12.138 ( -15.610 -0.000 10.125) 18.606 12.728 ( 1.991 0.000 -1.681) 2.606 12.942 ( -0.837 -0.000 -2.634) 2.763 14.163 ( 1.044 0.000 -6.543) 6.626 15.850 ( 8.550 0.000 8.277) 11.900 16.023 ( -0.045 -0.000 -8.617) 8.617 16.251 ( -12.059 -0.000 7.008) 13.948 16.869 ( 3.551 0.000 1.901) 4.028 ======================= Grid point 397 (192/282) ======================= q-point: (-0.20 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -16.173 -0.884 9.971) 19.020 2.287 ( -25.762 -1.575 -0.710) 25.820 2.829 ( 2.572 0.783 -5.998) 6.573 2.869 ( -1.114 1.176 -8.572) 8.724 3.228 ( -6.664 0.883 8.755) 11.038 3.295 ( -1.162 -2.079 3.551) 4.276 3.439 ( 4.126 -0.597 -4.417) 6.074 3.691 ( -18.264 -1.058 18.179) 25.791 4.026 ( 0.684 10.340 -7.797) 12.968 4.186 ( 4.385 -8.836 -8.082) 12.752 4.302 ( 7.136 1.564 -9.447) 11.943 4.826 ( 1.025 -2.726 1.241) 3.166 4.914 ( 4.439 -1.503 6.733) 8.203 5.304 ( -1.227 7.033 6.484) 9.645 5.440 ( 8.545 0.550 7.010) 11.067 5.745 ( -1.012 0.254 -9.500) 9.557 6.355 ( -2.605 0.715 -3.615) 4.513 6.506 ( -6.896 -8.172 -1.374) 10.780 6.910 ( 8.865 10.413 0.418) 13.681 7.064 ( 7.659 -9.374 0.319) 12.109 7.237 ( 0.870 0.398 1.218) 1.548 7.620 ( -0.604 0.644 0.590) 1.062 7.702 ( 1.413 1.829 0.516) 2.369 7.736 ( 0.248 -1.406 0.115) 1.433 8.577 ( 6.388 -3.208 -10.292) 12.531 8.764 ( 4.729 -4.127 6.390) 8.957 9.098 ( -6.100 0.715 -1.244) 6.267 9.173 ( -8.884 -0.723 3.447) 9.557 9.564 ( -2.927 -0.567 -7.165) 7.761 9.794 ( 0.353 -0.158 -7.172) 7.183 10.247 ( 11.472 3.175 -4.846) 12.852 10.495 ( 5.593 3.416 -1.893) 6.821 10.601 ( 0.829 5.083 -5.680) 7.667 10.794 ( -0.568 -3.173 8.381) 8.979 11.097 ( 4.584 -3.012 6.875) 8.795 11.132 ( 1.123 2.347 0.354) 2.626 11.378 ( 6.423 0.668 3.229) 7.220 11.460 ( 13.092 -0.354 1.858) 13.228 11.733 ( -18.511 -0.246 -0.467) 18.518 11.921 ( -10.606 -1.441 3.587) 11.289 12.250 ( 5.282 -0.338 15.674) 16.544 12.711 ( 0.740 4.434 -3.034) 5.423 12.908 ( -0.896 -4.184 -5.298) 6.810 14.073 ( -1.772 0.140 -10.140) 10.295 15.848 ( -13.210 1.120 -2.543) 13.500 16.066 ( 9.168 -0.902 7.355) 11.788 16.224 ( 1.230 0.129 2.723) 2.991 16.930 ( 2.999 1.564 0.083) 3.383 ======================= Grid point 398 (193/282) ======================= q-point: (-0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -27.511 -4.834 -3.304) 28.127 2.012 ( -19.779 -2.840 12.670) 23.660 2.761 ( -0.760 1.697 -5.966) 6.249 2.828 ( 1.441 0.789 -0.717) 1.792 3.165 ( -16.349 -5.925 11.113) 20.638 3.309 ( -1.327 0.870 2.906) 3.311 3.497 ( 1.507 -0.421 4.265) 4.543 3.578 ( -16.970 -2.881 12.884) 21.500 3.849 ( -1.167 9.955 -9.772) 13.998 4.216 ( 2.471 -11.742 -13.135) 17.791 4.322 ( 8.361 6.813 -4.796) 11.803 4.870 ( 0.231 -3.488 -0.074) 3.496 5.031 ( 2.279 -2.661 3.493) 4.947 5.275 ( -1.956 10.968 7.036) 13.177 5.586 ( -0.974 3.225 7.200) 7.949 5.589 ( 0.325 -0.634 -13.510) 13.528 6.323 ( -2.232 -6.175 -0.889) 6.626 6.438 ( -8.828 -8.903 -1.312) 12.606 6.983 ( 10.039 10.909 0.997) 14.859 7.227 ( 5.935 -1.120 -0.102) 6.041 7.324 ( 7.533 -3.703 2.990) 8.911 7.635 ( 2.897 0.822 -0.231) 3.021 7.732 ( 3.097 2.047 0.494) 3.745 7.748 ( 0.578 0.588 1.556) 1.761 8.596 ( 4.350 -2.861 -8.822) 10.244 8.905 ( -1.053 -5.366 5.036) 7.433 8.957 ( -8.198 1.780 -0.777) 8.425 9.056 ( -6.190 -3.097 -2.695) 7.427 9.522 ( 0.123 -4.919 -1.240) 5.074 9.728 ( 0.308 0.295 -6.820) 6.833 10.301 ( 0.042 12.240 -7.141) 14.171 10.373 ( 9.937 5.563 -9.714) 14.969 10.692 ( 1.087 5.234 13.357) 14.387 10.852 ( -0.814 -6.721 -0.378) 6.780 11.073 ( 0.291 2.885 -4.105) 5.026 11.325 ( 3.909 -4.601 7.950) 9.983 11.405 ( -11.567 -3.075 0.631) 11.986 11.557 ( 6.359 1.872 -0.172) 6.631 11.689 ( 10.192 -5.493 1.421) 11.664 11.918 ( 2.208 1.895 9.288) 9.733 12.467 ( 3.397 1.607 12.906) 13.442 12.634 ( -0.572 6.289 -2.613) 6.834 12.870 ( -2.391 -5.818 -4.568) 7.774 13.920 ( -3.048 0.246 -12.497) 12.866 15.598 ( -16.682 1.329 1.268) 16.782 16.267 ( 5.790 0.170 5.610) 8.064 16.325 ( 9.413 -3.177 1.053) 9.990 16.922 ( 0.737 1.285 -5.417) 5.616 ======================= Grid point 407 (194/282) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -28.766 -0.000 -3.153) 28.938 1.992 ( -20.521 -0.000 13.033) 24.310 2.777 ( -1.626 -0.000 -5.886) 6.107 2.834 ( 2.369 0.000 -1.522) 2.816 3.110 ( -19.095 -0.000 10.679) 21.878 3.320 ( -2.143 -0.000 5.543) 5.943 3.491 ( 1.937 0.000 3.046) 3.609 3.550 ( -19.407 -0.000 16.309) 25.350 4.010 ( 2.772 0.000 -15.015) 15.268 4.046 ( 0.285 0.000 -10.466) 10.470 4.382 ( 10.006 0.000 -6.813) 12.105 4.835 ( 0.655 0.000 0.075) 0.659 5.012 ( 2.153 0.000 3.775) 4.346 5.377 ( -1.928 -0.000 7.504) 7.747 5.579 ( 2.916 0.000 -13.161) 13.480 5.614 ( -4.827 -0.000 8.220) 9.532 6.274 ( -1.994 -0.000 -4.258) 4.702 6.357 ( -8.768 -0.000 0.573) 8.787 7.128 ( 10.373 0.000 -0.035) 10.373 7.148 ( 9.917 0.000 1.463) 10.025 7.306 ( 4.640 0.000 3.245) 5.662 7.641 ( 2.698 0.000 -0.431) 2.733 7.751 ( 2.407 0.000 1.743) 2.972 7.751 ( 1.870 0.000 0.487) 1.932 8.572 ( 6.776 0.000 -8.292) 10.709 8.850 ( 0.331 0.000 6.540) 6.549 8.994 ( -8.007 -0.000 0.402) 8.017 9.020 ( -9.466 -0.000 -2.801) 9.871 9.484 ( -0.105 -0.000 -2.186) 2.188 9.728 ( -0.323 -0.000 -6.884) 6.892 10.417 ( 14.736 0.000 -5.883) 15.867 10.429 ( 0.298 0.000 -16.926) 16.928 10.730 ( 3.166 0.000 12.728) 13.116 10.765 ( -6.385 -0.000 0.486) 6.404 11.110 ( 1.330 0.000 -3.632) 3.868 11.275 ( 4.009 0.000 12.612) 13.234 11.386 ( -17.063 -0.000 -0.203) 17.065 11.604 ( 2.492 0.000 0.875) 2.641 11.607 ( 12.493 0.000 -0.488) 12.502 11.938 ( 6.243 0.000 11.395) 12.993 12.482 ( 3.992 0.000 12.885) 13.490 12.698 ( -0.818 -0.000 -3.595) 3.687 12.810 ( -1.954 -0.000 -4.474) 4.882 13.921 ( -3.137 -0.000 -12.500) 12.888 15.608 ( -16.894 -0.000 1.045) 16.927 16.267 ( 9.047 0.000 5.777) 10.735 16.300 ( 6.172 0.000 0.696) 6.211 16.931 ( -0.956 -0.000 -5.732) 5.811 ======================= Grid point 408 (195/282) ======================= q-point: (-0.10 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -26.080 -3.735 4.182) 26.676 1.816 ( -22.066 -1.857 17.345) 28.128 2.714 ( -1.416 0.399 -1.469) 2.079 2.858 ( -6.776 -1.096 8.823) 11.179 2.915 ( -21.342 -4.743 14.774) 26.386 3.326 ( -3.667 1.056 5.592) 6.770 3.440 ( -6.429 -2.206 2.377) 7.201 3.562 ( -3.891 -0.116 11.727) 12.356 3.821 ( 0.776 11.454 -12.810) 17.202 4.010 ( 1.274 -11.985 -14.864) 19.137 4.438 ( 7.856 3.956 -7.007) 11.246 4.842 ( 0.535 -1.615 -2.397) 2.940 5.055 ( 0.426 -1.268 0.146) 1.346 5.370 ( -4.363 6.957 2.435) 8.566 5.420 ( -3.955 -0.391 -4.111) 5.718 5.653 ( 0.934 1.508 -0.984) 2.029 6.227 ( -6.266 -4.164 -2.898) 8.063 6.235 ( -5.999 -5.072 0.200) 7.858 7.234 ( 10.262 10.126 1.171) 14.464 7.339 ( 8.588 -0.467 0.680) 8.628 7.440 ( 7.849 -4.335 1.934) 9.173 7.686 ( 3.666 -0.272 -0.937) 3.794 7.787 ( 1.897 2.081 2.104) 3.515 7.816 ( 3.381 -0.150 2.575) 4.253 8.600 ( 2.242 2.334 -1.382) 3.519 8.844 ( -9.378 0.812 1.357) 9.510 8.872 ( -2.879 1.071 -0.805) 3.176 8.941 ( -1.390 -6.145 1.774) 6.545 9.516 ( 3.999 -2.487 -0.251) 4.716 9.655 ( -0.945 -1.315 -5.808) 6.030 10.210 ( -2.709 8.441 -16.227) 18.490 10.561 ( 11.195 4.058 -2.939) 12.265 10.658 ( -5.318 -10.137 -9.485) 14.866 10.849 ( -5.504 2.727 14.950) 16.163 10.980 ( -14.328 2.174 1.536) 14.573 11.336 ( 13.609 -0.746 -3.469) 14.064 11.423 ( 2.112 -1.956 4.509) 5.350 11.652 ( 2.909 -1.878 2.933) 4.538 11.804 ( 12.355 -0.291 -4.613) 13.191 12.190 ( 9.829 3.660 11.355) 15.458 12.537 ( -1.778 0.042 -2.597) 3.148 12.642 ( -0.924 1.339 -1.720) 2.367 12.832 ( -0.248 -1.228 10.674) 10.747 13.745 ( -2.903 -0.110 -13.168) 13.485 15.372 ( -15.883 0.327 2.833) 16.137 16.400 ( 6.413 3.300 1.015) 7.284 16.461 ( 8.068 -3.216 3.061) 9.209 16.775 ( -7.538 -3.349 -13.831) 16.103 ======================= Grid point 418 (196/282) ======================= q-point: (-0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -14.152 -0.000 19.544) 24.130 1.679 ( -19.677 -0.000 22.281) 29.726 2.644 ( -31.521 -0.000 31.150) 44.316 2.701 ( -0.823 -0.000 2.236) 2.382 2.937 ( 1.556 0.000 4.998) 5.235 3.322 ( -4.666 -0.000 5.857) 7.488 3.388 ( 0.365 0.000 -2.992) 3.014 3.602 ( -4.728 -0.000 8.550) 9.770 3.793 ( 2.359 0.000 -11.630) 11.866 3.798 ( -0.848 -0.000 -12.402) 12.431 4.469 ( 4.180 0.000 -8.524) 9.493 4.819 ( 2.180 0.000 -5.550) 5.962 5.027 ( -1.253 -0.000 -3.810) 4.011 5.271 ( -1.640 -0.000 -5.812) 6.039 5.427 ( -2.943 -0.000 4.311) 5.220 5.627 ( 0.308 0.000 -6.787) 6.794 6.041 ( -10.483 -0.000 -0.367) 10.490 6.166 ( -1.609 -0.000 -2.754) 3.189 7.434 ( 8.254 0.000 -1.272) 8.351 7.474 ( 8.646 0.000 -0.614) 8.668 7.531 ( 6.304 0.000 -0.053) 6.304 7.710 ( 1.090 0.000 -1.349) 1.734 7.867 ( 2.765 0.000 3.795) 4.696 7.886 ( 2.275 0.000 3.985) 4.588 8.609 ( -4.297 -0.000 2.682) 5.066 8.700 ( -10.308 -0.000 1.201) 10.378 8.916 ( 9.647 0.000 -2.057) 9.864 8.935 ( -2.524 -0.000 6.867) 7.316 9.572 ( -2.389 -0.000 -3.874) 4.551 9.599 ( 7.028 0.000 0.497) 7.045 10.040 ( -3.947 -0.000 -14.682) 15.203 10.390 ( -9.280 -0.000 -6.945) 11.591 10.719 ( -13.646 -0.000 2.501) 13.873 10.746 ( 15.210 0.000 -7.626) 17.015 10.979 ( -3.836 -0.000 13.619) 14.149 11.446 ( 0.600 0.000 -2.954) 3.014 11.602 ( 22.542 0.000 -4.089) 22.910 11.675 ( -1.176 -0.000 0.066) 1.178 11.873 ( 4.411 0.000 -13.433) 14.139 12.340 ( -4.312 -0.000 4.096) 5.947 12.485 ( 3.658 0.000 -3.032) 4.751 12.701 ( 7.046 0.000 4.990) 8.634 12.947 ( -3.478 -0.000 15.343) 15.732 13.591 ( -0.269 -0.000 -11.813) 11.816 15.190 ( -11.861 -0.000 3.689) 12.422 16.368 ( -19.679 -0.000 -18.498) 27.008 16.540 ( 7.303 0.000 0.477) 7.319 16.575 ( 4.972 0.000 2.371) 5.509 ======================= Grid point 419 (197/282) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.679 0.000 18.527) 19.694 2.199 ( -5.624 -0.000 17.505) 18.386 2.790 ( 0.564 0.000 -2.653) 2.712 2.962 ( 7.290 0.000 -7.757) 10.645 3.114 ( -0.173 -0.000 -5.789) 5.792 3.151 ( 1.207 0.000 -7.906) 7.998 3.489 ( -10.935 -0.000 23.117) 25.573 3.701 ( -1.623 -0.000 8.342) 8.498 3.709 ( 4.558 0.000 13.335) 14.092 3.967 ( -7.428 -0.000 14.937) 16.682 4.145 ( -1.794 -0.000 -8.234) 8.427 4.557 ( -3.161 -0.000 -11.975) 12.385 4.562 ( 6.171 0.000 -10.527) 12.202 4.915 ( 10.850 0.000 -22.181) 24.692 5.388 ( -4.462 -0.000 0.836) 4.540 5.400 ( 1.546 0.000 -0.567) 1.646 5.878 ( -0.389 -0.000 0.977) 1.051 5.974 ( 0.487 0.000 -3.903) 3.933 7.406 ( -2.372 -0.000 -1.800) 2.978 7.479 ( 3.742 0.000 -4.755) 6.051 7.606 ( -2.283 -0.000 -1.761) 2.883 7.614 ( 2.746 0.000 -1.967) 3.378 8.069 ( -0.517 -0.000 1.771) 1.845 8.076 ( 0.721 0.000 1.462) 1.630 8.507 ( -1.723 -0.000 0.181) 1.732 8.523 ( 0.485 0.000 -0.655) 0.815 9.184 ( -1.618 -0.000 8.143) 8.302 9.336 ( 1.185 0.000 4.457) 4.612 9.686 ( -2.151 -0.000 9.422) 9.665 9.837 ( -3.859 -0.000 11.988) 12.594 9.864 ( 5.076 0.000 1.796) 5.384 10.075 ( 1.795 0.000 6.220) 6.474 10.671 ( -1.260 -0.000 -0.411) 1.326 10.702 ( 8.599 0.000 -22.645) 24.223 10.941 ( -5.036 -0.000 -14.445) 15.298 11.114 ( -5.794 -0.000 0.168) 5.796 11.179 ( -3.114 -0.000 0.891) 3.239 11.249 ( -0.011 -0.000 -10.485) 10.485 11.963 ( -15.941 -0.000 -2.064) 16.074 12.037 ( 17.056 0.000 -5.076) 17.795 12.818 ( -11.900 -0.000 3.053) 12.285 12.841 ( 11.035 0.000 2.090) 11.231 13.267 ( -12.062 -0.000 12.534) 17.396 13.602 ( 14.261 0.000 -3.939) 14.795 15.144 ( 1.562 0.000 2.408) 2.871 15.374 ( -3.782 -0.000 -9.834) 10.537 16.657 ( -2.919 -0.000 0.887) 3.051 16.691 ( 1.993 0.000 -0.423) 2.037 ======================= Grid point 420 (198/282) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -2.173 -2.471 12.631) 13.053 2.412 ( 9.444 -2.242 10.577) 14.356 2.766 ( 2.868 0.025 -7.343) 7.883 2.992 ( 7.653 0.463 -9.385) 12.119 3.058 ( 1.342 3.033 -2.299) 4.035 3.128 ( 1.936 -3.947 -7.028) 8.290 3.533 ( -10.704 -2.471 16.800) 20.073 3.761 ( -0.121 3.229 7.786) 8.430 3.881 ( -0.512 -4.465 10.804) 11.701 4.010 ( -6.058 -0.772 -7.539) 9.703 4.098 ( 1.345 -0.685 21.194) 21.248 4.437 ( 2.604 0.289 -9.661) 10.010 4.578 ( 8.072 0.187 -7.895) 11.292 4.881 ( 13.799 -1.218 -24.132) 27.825 5.315 ( -3.590 4.516 1.767) 6.033 5.427 ( 2.335 1.520 0.764) 2.889 5.925 ( 3.321 -2.813 1.028) 4.471 5.989 ( 4.165 -3.476 -2.858) 6.131 7.346 ( -2.349 2.432 -0.481) 3.415 7.466 ( 1.760 4.271 -3.390) 5.730 7.558 ( -3.641 -3.238 -2.060) 5.290 7.634 ( 0.551 -2.518 -0.942) 2.744 8.045 ( -2.645 3.027 1.297) 4.224 8.069 ( -1.795 1.853 0.050) 2.580 8.522 ( 3.577 1.097 0.860) 3.839 8.557 ( 5.318 2.105 0.083) 5.720 9.255 ( -0.586 -2.985 7.127) 7.749 9.366 ( 0.330 -0.582 0.035) 0.670 9.763 ( 0.503 -2.646 5.749) 6.349 9.881 ( -2.310 6.310 11.923) 13.686 9.965 ( 4.136 -2.927 2.506) 5.653 10.250 ( 3.820 -1.559 15.757) 16.288 10.453 ( -2.632 8.787 -19.944) 21.953 10.609 ( 1.863 -6.945 -23.257) 24.343 10.848 ( -5.336 3.447 7.268) 9.653 10.925 ( -12.299 -1.383 0.335) 12.381 11.184 ( 3.487 -0.379 -0.694) 3.576 11.266 ( 7.769 2.125 -4.939) 9.448 11.725 ( -13.860 -2.872 -0.887) 14.183 12.224 ( 11.494 -1.688 -2.914) 11.977 12.643 ( -13.628 -0.323 1.921) 13.767 12.961 ( -0.244 1.320 3.021) 3.306 13.233 ( -3.380 0.427 7.725) 8.443 13.766 ( 12.667 -0.973 -5.835) 13.980 15.246 ( 6.712 -1.030 5.166) 8.532 15.307 ( 4.807 -2.933 -8.471) 10.172 16.597 ( -6.814 -1.203 1.217) 7.025 16.698 ( -1.345 -1.583 -0.273) 2.095 ======================= Grid point 421 (199/282) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.456 -3.467 7.239) 8.040 2.617 ( 6.463 -2.556 0.267) 6.956 2.729 ( 3.859 -0.383 -9.654) 10.403 2.997 ( 3.228 2.432 -4.404) 5.977 3.081 ( 3.814 -0.108 -0.063) 3.816 3.118 ( 2.994 -3.160 -8.035) 9.138 3.551 ( -8.494 -4.131 14.028) 16.911 3.765 ( -1.477 5.913 -0.725) 6.138 3.848 ( -8.044 -1.288 -0.228) 8.149 4.018 ( -0.914 -6.715 9.542) 11.703 4.358 ( 4.197 -3.572 16.521) 17.416 4.446 ( 8.354 1.856 -4.953) 9.887 4.667 ( 10.358 -0.885 -2.555) 10.705 4.877 ( 14.744 -1.758 -23.295) 27.625 5.266 ( 0.125 7.680 4.047) 8.682 5.463 ( 3.940 1.687 -0.436) 4.308 6.027 ( 4.895 -4.622 0.785) 6.778 6.094 ( 6.727 -5.506 -0.435) 8.704 7.289 ( -2.420 3.015 0.332) 3.881 7.397 ( -2.185 5.214 -2.611) 6.227 7.493 ( -5.039 -1.631 -1.752) 5.579 7.651 ( -1.146 -3.170 0.550) 3.416 7.965 ( -4.673 4.872 0.004) 6.751 8.006 ( -3.422 3.419 -0.160) 4.840 8.607 ( 8.389 3.245 0.351) 9.002 8.657 ( 10.275 4.488 1.416) 11.302 9.316 ( -1.450 -2.063 0.537) 2.578 9.366 ( 0.583 -1.772 -3.252) 3.749 9.834 ( -0.076 -3.876 1.134) 4.039 9.903 ( -1.410 7.435 8.383) 11.293 10.062 ( 2.993 -1.085 1.597) 3.562 10.191 ( -2.820 1.238 -11.331) 11.742 10.432 ( -0.309 -5.935 -12.909) 14.212 10.498 ( 5.388 5.185 10.426) 12.830 10.698 ( -13.146 -1.732 4.457) 13.989 10.902 ( -2.362 -1.175 6.512) 7.026 11.276 ( 1.432 -1.104 -3.563) 3.996 11.319 ( 8.601 -2.438 3.242) 9.509 11.587 ( -4.114 1.466 -0.286) 4.377 12.342 ( 2.511 -0.568 1.657) 3.061 12.465 ( -10.950 -2.448 0.093) 11.220 12.879 ( -10.913 1.204 2.896) 11.354 13.288 ( 4.595 4.495 1.403) 6.579 13.882 ( 9.699 -2.585 -8.471) 13.135 15.385 ( 11.102 -4.944 -7.253) 14.153 15.468 ( 11.118 -1.766 9.719) 14.872 16.495 ( -10.406 -2.706 1.986) 10.934 16.677 ( -3.164 -3.042 -0.065) 4.390 ======================= Grid point 422 (200/282) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.152 -3.585 1.049) 3.739 2.608 ( 2.550 1.354 -11.056) 11.427 2.758 ( 2.741 -2.919 -2.102) 4.522 2.938 ( -4.319 2.615 -3.080) 5.914 3.090 ( 1.110 -2.368 -4.805) 5.471 3.181 ( 5.854 -2.935 -0.414) 6.561 3.604 ( -5.226 -0.147 3.953) 6.554 3.666 ( -1.086 -2.617 3.600) 4.581 3.791 ( -4.694 2.274 4.952) 7.192 4.122 ( -1.682 -5.677 5.366) 7.990 4.497 ( 7.409 5.545 -1.786) 9.425 4.612 ( 2.912 -8.150 11.075) 14.055 4.848 ( 13.169 -1.804 -1.024) 13.332 4.900 ( 12.650 -1.145 -16.512) 20.832 5.289 ( 4.205 8.701 6.525) 11.660 5.512 ( 6.133 2.080 -2.871) 7.084 6.163 ( 6.044 -7.343 0.738) 9.539 6.255 ( 7.367 -5.149 2.340) 9.288 7.226 ( -4.139 2.483 0.098) 4.827 7.268 ( -3.908 7.236 -3.620) 8.986 7.401 ( -5.697 0.852 -0.004) 5.760 7.650 ( -3.307 -2.626 1.275) 4.411 7.841 ( -5.374 5.239 -0.771) 7.545 7.914 ( -4.761 3.244 -0.359) 5.773 8.714 ( 10.794 6.661 -2.046) 12.847 8.819 ( 13.791 6.890 1.967) 15.541 9.217 ( -5.235 1.132 -10.584) 11.862 9.318 ( -1.166 0.330 -5.949) 6.071 9.802 ( -5.239 -5.636 -5.402) 9.402 9.883 ( -0.372 9.384 1.850) 9.572 10.086 ( -2.862 -4.041 -5.706) 7.555 10.187 ( 3.723 -4.892 9.484) 11.302 10.320 ( 4.846 1.167 -15.120) 15.920 10.581 ( -12.283 -6.457 14.145) 19.815 10.747 ( 4.092 -0.357 16.307) 16.817 10.986 ( 3.400 -1.853 6.584) 7.638 11.243 ( -0.686 -4.446 -4.634) 6.458 11.537 ( 2.563 7.432 -0.942) 7.918 11.561 ( 9.574 -4.730 6.795) 12.658 12.268 ( -11.044 -0.566 1.547) 11.166 12.429 ( -3.373 -2.370 4.959) 6.449 12.713 ( -9.135 1.746 -1.082) 9.364 13.288 ( 2.675 8.801 -2.730) 9.595 13.928 ( 5.904 -3.583 -11.618) 13.515 15.561 ( 14.349 -5.334 -5.918) 16.412 15.778 ( 12.246 -0.679 13.007) 17.878 16.371 ( -12.305 -4.033 3.762) 13.484 16.660 ( -2.597 -5.110 -0.160) 5.734 ======================= Grid point 423 (201/282) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 1.172 -3.203 -9.920) 10.490 2.534 ( -2.487 2.579 -0.624) 3.637 2.711 ( -9.858 0.677 -2.294) 10.144 2.821 ( -1.026 2.240 -1.595) 2.935 3.109 ( 1.985 -6.983 -3.443) 8.035 3.272 ( 5.787 -1.057 -4.059) 7.147 3.564 ( -0.443 1.707 4.317) 4.663 3.732 ( -5.481 1.142 6.519) 8.593 3.790 ( -0.079 -5.642 5.294) 7.737 4.160 ( -2.211 -3.122 1.710) 4.190 4.504 ( 3.454 7.471 -3.924) 9.118 4.808 ( 0.123 -9.803 9.555) 13.689 4.948 ( 10.754 0.079 -10.168) 14.800 5.043 ( 9.304 0.624 1.875) 9.511 5.381 ( 5.438 2.598 5.546) 8.190 5.540 ( 5.594 5.149 -4.955) 9.075 6.340 ( 7.123 -9.932 1.078) 12.270 6.426 ( 5.965 -2.559 4.352) 7.815 7.048 ( -7.733 9.919 -4.241) 13.273 7.180 ( -2.004 0.887 -1.220) 2.508 7.332 ( -1.939 2.666 1.730) 3.723 7.616 ( -3.873 -1.148 0.422) 4.062 7.726 ( -4.039 2.979 -0.437) 5.038 7.815 ( -4.829 1.452 -0.366) 5.056 8.735 ( 5.318 11.270 -8.676) 15.185 8.976 ( 9.326 6.187 -1.882) 11.349 9.038 ( 0.776 -1.079 -7.292) 7.412 9.223 ( -3.791 0.483 -5.010) 6.301 9.680 ( -5.644 -2.441 -7.368) 9.597 9.805 ( -1.126 7.765 0.698) 7.877 10.021 ( -2.788 -6.168 -5.908) 8.985 10.249 ( 6.102 2.839 -13.209) 14.825 10.400 ( -1.059 -3.094 17.403) 17.708 10.655 ( -4.822 -15.182 11.670) 19.747 11.009 ( 7.556 -2.605 15.380) 17.332 11.121 ( 1.607 -1.439 7.084) 7.405 11.276 ( 7.210 -1.537 -1.500) 7.523 11.498 ( 3.976 7.103 -3.369) 8.809 11.793 ( 6.271 -4.570 3.701) 8.597 12.096 ( -13.634 1.404 2.756) 13.981 12.446 ( -5.773 -5.283 8.166) 11.310 12.588 ( -1.612 4.423 -1.812) 5.045 13.186 ( -0.585 10.772 -5.052) 11.912 13.887 ( 2.068 -3.264 -14.268) 14.782 15.738 ( 8.988 -3.440 -4.899) 10.799 16.063 ( 9.369 1.752 10.649) 14.292 16.287 ( -8.326 -3.712 7.076) 11.540 16.685 ( 0.498 -7.227 -0.914) 7.301 ======================= Grid point 424 (202/282) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -13.746 4.008 -7.083) 15.974 2.462 ( -10.653 3.474 10.373) 15.269 2.593 ( 2.424 -2.137 -5.975) 6.793 2.801 ( 0.582 0.709 -0.585) 1.088 3.169 ( 1.927 -8.832 -4.061) 9.910 3.284 ( 4.697 3.027 -7.504) 9.356 3.640 ( 0.260 -0.571 9.456) 9.476 3.695 ( -5.251 1.061 6.601) 8.502 3.870 ( -3.077 -6.472 4.154) 8.283 4.146 ( -0.176 -0.101 -2.364) 2.372 4.410 ( -2.818 8.875 -3.118) 9.820 4.917 ( 0.936 -0.226 1.121) 1.477 5.037 ( 2.750 -7.477 1.251) 8.064 5.148 ( 4.180 3.053 2.736) 5.854 5.465 ( 1.174 -1.920 -8.225) 8.527 5.531 ( 4.540 4.033 2.747) 6.665 6.516 ( 2.229 2.615 3.106) 4.632 6.549 ( 4.836 -9.295 1.427) 10.575 6.817 ( -5.875 8.661 -3.041) 10.898 7.155 ( 0.156 -1.331 -1.028) 1.689 7.342 ( 3.816 3.204 1.834) 5.309 7.576 ( -0.674 -0.700 -1.241) 1.576 7.679 ( -0.748 -0.175 0.429) 0.880 7.754 ( -2.483 -0.728 0.563) 2.649 8.580 ( -0.987 5.576 -9.762) 11.286 8.945 ( -0.758 -0.812 -4.818) 4.945 9.098 ( 1.414 3.384 -5.767) 6.835 9.112 ( -0.001 3.567 1.215) 3.769 9.571 ( -1.765 -0.414 -3.781) 4.193 9.758 ( 0.298 5.722 1.379) 5.893 9.985 ( -1.192 -8.229 -5.732) 10.099 10.182 ( 2.250 3.777 -8.165) 9.273 10.572 ( 1.860 -8.280 10.125) 13.211 10.819 ( -0.902 -8.027 8.345) 11.614 11.165 ( -3.366 0.223 3.360) 4.761 11.268 ( 8.446 -0.238 6.097) 10.419 11.461 ( 10.154 -3.359 4.038) 11.432 11.504 ( 5.929 3.882 -2.375) 7.474 11.784 ( -8.007 3.682 1.759) 8.987 11.984 ( -3.303 -0.636 1.819) 3.824 12.486 ( -1.678 -5.925 0.351) 6.168 12.580 ( 0.410 2.808 8.145) 8.626 13.039 ( -2.022 9.354 -2.519) 9.896 13.773 ( -0.472 -2.364 -14.887) 15.081 15.746 ( -5.930 -1.906 -1.044) 6.315 16.244 ( 7.004 0.950 1.488) 7.223 16.327 ( 1.999 1.577 9.390) 9.729 16.750 ( 2.545 -6.060 -3.162) 7.294 ======================= Grid point 425 (203/282) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -19.267 7.386 3.482) 20.926 2.358 ( -14.325 4.715 14.028) 20.597 2.642 ( 5.341 -2.092 -2.116) 6.114 2.823 ( 1.760 -2.039 0.714) 2.786 3.197 ( 4.574 0.282 -9.517) 10.563 3.247 ( -0.796 -2.889 -2.830) 4.122 3.663 ( -2.159 -0.455 0.946) 2.401 3.761 ( -4.249 0.078 17.381) 17.893 3.849 ( -11.034 -2.620 5.895) 12.781 4.115 ( 3.538 2.994 -10.637) 11.603 4.250 ( -6.277 7.066 2.312) 9.730 4.884 ( -1.125 3.299 -3.472) 4.920 5.091 ( 0.138 0.982 -1.180) 1.541 5.237 ( -0.147 -8.636 5.341) 10.155 5.345 ( -0.758 3.982 -10.984) 11.708 5.591 ( -1.223 -4.591 -0.107) 4.752 6.431 ( -4.254 10.475 -2.448) 11.568 6.555 ( -6.928 4.565 -0.356) 8.305 6.859 ( 7.761 -10.009 3.545) 13.152 7.189 ( 3.143 -3.237 -0.814) 4.584 7.419 ( 7.593 2.898 -0.348) 8.135 7.606 ( 4.481 -1.179 -0.346) 4.646 7.702 ( 1.348 -2.690 0.774) 3.107 7.771 ( 2.084 -1.351 1.768) 3.049 8.498 ( 0.260 -2.090 -2.016) 2.915 8.880 ( -2.161 1.590 -2.311) 3.541 8.980 ( -8.521 -2.649 -1.450) 9.041 9.105 ( 1.277 5.889 -0.345) 6.036 9.546 ( -0.498 0.574 0.372) 0.846 9.741 ( 1.201 5.483 1.096) 5.719 9.975 ( -3.361 -5.683 -4.875) 8.207 10.153 ( 8.369 -2.197 -7.527) 11.468 10.781 ( 6.791 -8.757 3.636) 11.663 10.899 ( -1.418 -1.669 2.007) 2.971 11.068 ( -10.399 1.458 2.519) 10.799 11.388 ( -0.135 -1.333 -0.892) 1.610 11.407 ( -0.705 6.709 -5.073) 8.440 11.597 ( 5.423 4.707 -2.330) 7.549 11.805 ( 3.607 3.756 1.408) 5.394 12.029 ( 6.160 -5.467 8.045) 11.513 12.502 ( 0.678 -1.962 -0.805) 2.226 12.628 ( -1.933 -0.777 1.433) 2.529 12.996 ( -0.136 3.209 8.915) 9.476 13.635 ( -1.354 -0.877 -11.975) 12.083 15.611 ( -12.879 -0.695 2.161) 13.077 16.299 ( 2.302 -0.223 -1.275) 2.641 16.471 ( 8.688 4.516 4.492) 10.773 16.748 ( 0.139 -0.291 -8.050) 8.056 ======================= Grid point 426 (204/282) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -15.458 7.114 15.881) 23.276 2.241 ( -15.731 5.387 17.524) 24.158 2.715 ( 2.398 -0.214 2.406) 3.404 2.896 ( 2.625 -4.428 0.955) 5.235 3.136 ( 4.697 6.572 -8.199) 11.510 3.257 ( -1.365 -7.266 -1.621) 7.569 3.619 ( -5.200 1.855 -0.107) 5.522 3.717 ( -16.622 1.935 14.657) 22.246 3.855 ( -5.837 0.637 14.955) 16.067 3.937 ( -4.902 8.633 -6.199) 11.703 4.229 ( 4.449 -1.708 -5.317) 7.140 4.786 ( -1.546 3.063 -6.401) 7.263 5.031 ( -2.166 1.779 -4.934) 5.674 5.193 ( 1.069 4.381 -12.649) 13.428 5.345 ( -2.152 -10.021 4.324) 11.124 5.554 ( -5.914 -6.215 -3.792) 9.380 6.251 ( -5.333 8.136 -3.554) 10.357 6.373 ( -8.298 8.624 -0.930) 12.004 7.110 ( 8.114 -11.462 3.418) 14.453 7.276 ( 4.913 -5.054 -1.213) 7.152 7.505 ( 8.599 3.287 -3.040) 9.695 7.688 ( 5.102 1.617 0.295) 5.361 7.778 ( 2.985 -4.364 1.701) 5.554 7.855 ( 4.164 -2.010 2.371) 5.196 8.559 ( -1.670 -8.764 4.384) 9.941 8.847 ( -2.957 -0.078 2.439) 3.834 8.848 ( -4.885 0.195 -1.255) 5.048 9.086 ( -0.479 3.214 3.164) 4.535 9.546 ( -0.638 0.580 3.048) 3.168 9.731 ( 1.781 6.865 1.892) 7.340 9.879 ( -6.872 -3.188 -2.644) 8.024 10.305 ( 14.764 -6.787 -9.087) 18.618 10.708 ( -9.815 11.014 -8.199) 16.878 10.897 ( -4.044 -3.774 -0.006) 5.532 11.073 ( -5.202 -10.387 10.191) 15.453 11.233 ( 0.686 0.236 -9.504) 9.532 11.444 ( 8.852 8.371 -3.130) 12.579 11.587 ( 3.350 -0.349 -9.518) 10.096 11.780 ( 0.114 4.524 -2.849) 5.347 12.283 ( 7.737 -4.353 4.276) 9.854 12.546 ( 1.451 3.550 1.608) 4.159 12.593 ( 1.316 -3.762 0.890) 4.084 13.114 ( 0.138 -2.596 12.187) 12.461 13.521 ( -1.836 1.761 -5.692) 6.235 15.426 ( -13.696 1.014 2.676) 13.992 16.283 ( -4.061 -4.072 -7.157) 9.181 16.587 ( 7.779 5.408 1.137) 9.542 16.616 ( -0.101 7.636 -8.014) 11.070 ======================= Grid point 427 (205/282) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -6.978 4.855 24.350) 25.791 2.156 ( -14.083 4.631 20.095) 24.972 2.763 ( -0.276 -0.357 3.748) 3.775 2.944 ( 2.175 0.566 -2.643) 3.469 3.125 ( 4.850 -1.421 -4.948) 7.073 3.279 ( -0.079 -2.070 1.025) 2.311 3.469 ( -14.143 5.649 10.425) 18.456 3.630 ( -8.801 3.725 8.486) 12.781 3.730 ( -5.683 4.388 -0.769) 7.221 3.932 ( -6.170 -0.094 13.910) 15.217 4.248 ( 4.774 -2.119 -8.919) 10.336 4.678 ( 0.105 1.928 -8.963) 9.168 4.908 ( -3.879 0.732 -8.596) 9.459 5.072 ( 4.255 3.426 -14.197) 15.212 5.408 ( -2.534 -7.654 1.898) 8.282 5.460 ( -5.544 -5.901 -5.292) 9.673 6.076 ( -7.150 5.600 -1.852) 9.269 6.183 ( -5.241 7.806 -2.675) 9.776 7.317 ( 5.351 -8.893 0.866) 10.415 7.377 ( 4.985 -5.556 -2.462) 7.860 7.564 ( 7.224 4.317 -3.661) 9.178 7.716 ( 2.086 4.186 -1.694) 4.975 7.882 ( 2.802 -5.423 3.316) 6.947 7.964 ( 4.172 -1.758 2.658) 5.250 8.588 ( -5.929 -6.446 1.402) 8.869 8.700 ( -10.178 -2.178 -0.690) 10.431 8.989 ( 8.028 -0.521 9.407) 12.377 9.106 ( -0.608 2.002 6.392) 6.726 9.588 ( 0.170 -0.348 6.331) 6.343 9.726 ( 1.962 8.560 3.434) 9.430 9.799 ( -6.523 -6.422 0.717) 9.182 10.341 ( -3.197 13.582 -10.551) 17.493 10.539 ( 9.422 -8.395 -7.667) 14.766 10.775 ( -10.331 0.587 2.561) 10.660 11.128 ( -4.339 -6.089 4.183) 8.567 11.216 ( 3.787 -6.516 -14.176) 16.055 11.479 ( 3.119 -0.005 -16.894) 17.179 11.543 ( 5.004 0.644 -0.503) 5.071 11.696 ( 4.221 8.191 -7.248) 11.723 12.409 ( -2.607 0.251 1.956) 3.269 12.460 ( 3.024 1.561 -1.853) 3.875 12.796 ( 8.122 -3.443 6.305) 10.843 13.244 ( -1.116 -3.281 10.554) 11.108 13.438 ( -2.000 4.005 -0.412) 4.495 15.252 ( -10.146 1.663 2.059) 10.486 16.015 ( -15.519 0.584 -15.369) 21.849 16.577 ( 6.258 4.847 -1.414) 8.041 16.653 ( 4.642 4.374 0.647) 6.411 ======================= Grid point 428 (206/282) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.379 2.580 23.945) 24.086 2.142 ( -10.038 2.831 20.291) 22.815 2.790 ( -0.775 -1.165 2.128) 2.547 2.938 ( 4.188 2.552 -4.091) 6.387 3.146 ( 1.535 -6.581 -8.593) 10.931 3.253 ( 0.947 4.920 -8.508) 9.873 3.416 ( -11.924 4.610 29.483) 32.136 3.577 ( -1.767 1.449 5.909) 6.335 3.674 ( -4.037 0.346 6.088) 7.313 3.957 ( -7.996 0.051 13.374) 15.582 4.225 ( 2.151 -0.645 -8.993) 9.269 4.595 ( 3.193 0.347 -10.708) 11.179 4.739 ( -4.576 0.260 -11.425) 12.310 4.983 ( 7.280 1.591 -18.196) 19.663 5.399 ( -1.463 -3.635 -3.325) 5.139 5.424 ( -3.034 -4.085 0.689) 5.135 5.930 ( -5.340 3.787 0.316) 6.554 6.046 ( -2.573 3.875 -3.996) 6.132 7.420 ( 1.336 -5.177 -1.578) 5.574 7.450 ( 3.682 -3.909 -4.070) 6.738 7.591 ( 5.009 3.568 -2.904) 6.801 7.667 ( -0.917 3.896 -2.268) 4.601 8.000 ( 2.313 -4.987 3.287) 6.405 8.044 ( 2.323 0.192 2.066) 3.115 8.544 ( -4.094 -2.784 -0.339) 4.962 8.574 ( -6.215 -0.355 -0.760) 6.271 9.136 ( -1.641 1.075 8.382) 8.609 9.216 ( 4.915 -1.392 9.327) 10.634 9.648 ( -3.133 2.726 10.396) 11.195 9.760 ( 4.965 2.311 3.089) 6.287 9.792 ( -4.840 -5.733 5.408) 9.249 10.112 ( -2.943 8.478 -4.287) 9.946 10.653 ( 2.430 -5.395 -4.577) 7.481 10.717 ( 6.062 0.551 -5.042) 7.904 11.123 ( -1.406 -3.292 -5.524) 6.582 11.150 ( -0.417 -4.498 -10.935) 11.831 11.289 ( -6.156 -1.307 -11.687) 13.274 11.447 ( -7.078 2.552 -8.509) 11.358 11.815 ( 19.752 3.928 -4.963) 20.742 12.222 ( -13.249 2.811 -1.855) 13.670 12.633 ( 12.286 -0.892 1.918) 12.467 12.909 ( -4.111 -1.967 4.417) 6.347 13.312 ( -9.554 0.321 14.376) 17.264 13.439 ( 10.091 1.223 -3.447) 10.734 15.148 ( -4.223 1.032 1.694) 4.666 15.625 ( -12.967 2.409 -12.905) 18.452 16.640 ( 4.465 0.624 -0.033) 4.508 16.677 ( 1.700 2.947 0.257) 3.412 ======================= Grid point 430 (207/282) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.617 0.000 6.509) 6.538 2.597 ( 7.519 0.000 1.398) 7.648 2.727 ( 3.571 0.000 -10.619) 11.204 3.023 ( 7.343 0.000 -9.406) 11.933 3.076 ( 0.412 0.000 -3.835) 3.857 3.088 ( 2.255 0.000 -0.186) 2.263 3.518 ( -9.808 -0.000 15.912) 18.692 3.816 ( -4.692 -0.000 -9.912) 10.967 3.862 ( -2.386 -0.000 9.547) 9.840 3.932 ( -3.042 -0.000 9.556) 10.028 4.333 ( 3.802 0.000 16.414) 16.849 4.461 ( 9.576 0.000 -5.287) 10.939 4.662 ( 9.435 0.000 -2.249) 9.699 4.860 ( 16.158 0.000 -25.389) 30.094 5.338 ( 1.634 0.000 3.622) 3.973 5.472 ( 1.792 0.000 0.943) 2.025 5.998 ( 5.266 0.000 1.580) 5.498 6.039 ( 6.874 0.000 -1.472) 7.030 7.315 ( -3.109 -0.000 0.399) 3.134 7.454 ( -1.743 -0.000 -3.703) 4.092 7.461 ( -4.956 -0.000 -0.562) 4.988 7.625 ( -0.343 -0.000 0.542) 0.641 8.004 ( -4.727 -0.000 -0.011) 4.727 8.033 ( -3.885 -0.000 -0.316) 3.897 8.630 ( 8.582 0.000 0.914) 8.630 8.697 ( 11.233 0.000 0.886) 11.267 9.294 ( -0.177 -0.000 3.035) 3.040 9.348 ( 0.183 0.000 -3.256) 3.261 9.798 ( 1.492 0.000 -2.084) 2.563 10.001 ( -5.896 -0.000 17.912) 18.858 10.028 ( 7.227 0.000 -4.033) 8.276 10.212 ( -8.652 -0.000 -13.953) 16.418 10.367 ( 0.849 0.000 -10.883) 10.916 10.541 ( 8.733 0.000 9.828) 13.147 10.689 ( -16.999 -0.000 4.953) 17.706 10.896 ( -3.250 -0.000 8.530) 9.128 11.249 ( -2.755 -0.000 -7.259) 7.764 11.298 ( 8.395 0.000 4.232) 9.402 11.616 ( 1.544 0.000 -0.526) 1.631 12.339 ( 5.804 0.000 0.224) 5.808 12.443 ( -13.861 -0.000 1.266) 13.918 12.887 ( -11.434 -0.000 3.211) 11.876 13.326 ( 6.499 0.000 1.385) 6.645 13.859 ( 9.364 0.000 -8.881) 12.906 15.346 ( 11.361 0.000 -6.927) 13.307 15.456 ( 11.780 0.000 9.422) 15.084 16.473 ( -10.416 -0.000 1.618) 10.541 16.652 ( -3.589 -0.000 0.069) 3.590 ======================= Grid point 431 (208/282) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 3.090 -1.307 -2.414) 4.133 2.645 ( 2.835 3.336 -7.096) 8.338 2.704 ( 3.004 -3.995 -3.645) 6.186 2.980 ( -1.284 2.711 -6.220) 6.906 3.042 ( -1.535 -3.302 -5.334) 6.458 3.151 ( 4.662 -0.829 1.724) 5.040 3.574 ( -4.896 -1.580 15.710) 16.530 3.656 ( -3.131 -0.157 -6.893) 7.572 3.875 ( -3.537 7.706 7.525) 11.337 4.007 ( -2.949 -8.730 6.822) 11.465 4.516 ( 2.030 -1.917 10.362) 10.732 4.579 ( 10.905 2.168 -4.148) 11.867 4.817 ( 9.471 -1.498 2.627) 9.942 4.885 ( 18.352 -0.712 -22.986) 29.422 5.425 ( 5.568 7.884 5.466) 11.092 5.521 ( 4.064 -1.933 0.990) 4.608 6.097 ( 5.334 -1.031 1.263) 5.578 6.171 ( 8.010 -4.640 0.998) 9.310 7.254 ( -4.933 1.101 0.589) 5.088 7.349 ( -4.638 3.338 -3.129) 6.515 7.398 ( -4.297 -1.047 -0.119) 4.424 7.620 ( -2.078 -1.064 0.902) 2.503 7.904 ( -6.228 2.515 -1.078) 6.803 7.949 ( -5.858 1.051 -0.584) 5.980 8.781 ( 11.323 2.013 -1.060) 11.549 8.903 ( 15.276 3.277 1.107) 15.663 9.241 ( -4.074 1.630 -9.432) 10.403 9.313 ( -0.071 -0.823 -5.600) 5.660 9.731 ( -3.810 -2.657 -7.663) 8.961 10.004 ( -2.796 4.461 -0.278) 5.272 10.037 ( -1.160 -1.288 -7.938) 8.125 10.130 ( 1.189 -1.715 13.186) 13.350 10.291 ( 4.307 -3.043 -12.873) 13.911 10.515 ( -21.816 -2.313 18.914) 28.966 10.792 ( 7.502 4.238 14.345) 16.734 10.952 ( 0.661 -2.284 7.454) 7.824 11.165 ( 0.930 -3.678 -5.580) 6.747 11.504 ( 9.652 -1.985 6.918) 12.040 11.649 ( 5.391 4.688 -3.615) 8.007 12.264 ( -10.731 -0.086 1.770) 10.876 12.393 ( -4.038 -1.615 5.285) 6.844 12.733 ( -8.302 0.682 -0.841) 8.373 13.398 ( 4.820 4.412 -2.393) 6.959 13.878 ( 5.645 -2.267 -12.371) 13.786 15.504 ( 15.392 -1.964 -5.326) 16.405 15.774 ( 13.968 -0.016 13.655) 19.534 16.324 ( -12.091 -1.747 2.788) 12.530 16.601 ( -3.782 -2.188 -0.137) 4.371 ======================= Grid point 432 (209/282) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 5.600 -1.638 -13.157) 14.393 2.588 ( -1.279 4.418 0.470) 4.623 2.710 ( -5.391 -1.207 -1.173) 5.647 2.858 ( -4.409 2.523 -1.378) 5.263 2.994 ( -0.805 -7.205 -6.627) 9.823 3.255 ( 5.781 -0.927 0.396) 5.868 3.581 ( 0.723 0.787 -0.646) 1.249 3.697 ( -2.326 -3.921 11.401) 12.278 3.813 ( -5.542 6.157 5.837) 10.134 4.081 ( -2.957 -6.661 5.102) 8.896 4.598 ( 4.867 4.135 -5.417) 8.374 4.677 ( 1.755 -5.408 5.541) 7.939 4.957 ( 10.305 0.457 -6.957) 12.442 5.027 ( 15.516 -2.214 -4.936) 16.432 5.459 ( 2.289 6.783 2.427) 7.560 5.633 ( 6.703 5.048 2.858) 8.865 6.212 ( 5.264 -5.809 0.914) 7.892 6.356 ( 7.449 -5.838 3.305) 10.025 7.155 ( -7.048 3.524 -0.770) 7.917 7.209 ( -4.611 3.014 -3.198) 6.370 7.357 ( -1.143 0.688 0.690) 1.502 7.599 ( -2.258 -0.962 0.510) 2.506 7.772 ( -6.158 2.640 -1.237) 6.813 7.835 ( -6.919 0.959 -0.468) 7.001 8.888 ( 8.219 7.317 -6.753) 12.911 8.970 ( -6.911 -0.979 -14.593) 16.177 9.107 ( 10.809 3.343 -0.938) 11.353 9.242 ( -0.106 2.731 -6.467) 7.021 9.635 ( -4.257 -2.103 -3.459) 5.874 9.927 ( 0.462 5.897 -2.730) 6.514 9.946 ( -3.377 -3.340 -6.027) 7.673 10.228 ( 6.258 -3.066 -12.799) 14.573 10.382 ( -11.741 -1.048 22.294) 25.218 10.450 ( -2.826 -9.935 15.849) 18.918 10.985 ( 6.456 0.313 9.143) 11.197 11.089 ( 2.088 -3.010 8.290) 9.063 11.248 ( 8.749 -1.409 2.311) 9.158 11.617 ( 3.911 6.777 -6.815) 10.376 11.727 ( 7.757 -3.515 4.586) 9.673 12.137 ( -9.586 3.613 3.738) 10.905 12.354 ( -9.894 -6.046 6.875) 13.480 12.650 ( 0.232 2.981 -0.959) 3.140 13.348 ( 0.449 9.338 -4.898) 10.554 13.826 ( 2.090 -4.260 -15.073) 15.802 15.693 ( 10.563 -2.237 -4.027) 11.524 16.095 ( 9.912 2.386 12.355) 16.018 16.231 ( -5.659 -3.379 6.279) 9.103 16.585 ( -0.604 -5.223 -0.921) 5.338 ======================= Grid point 433 (210/282) ======================= q-point: (-0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -3.731 3.420 -10.107) 11.304 2.532 ( -7.716 5.532 8.435) 12.700 2.576 ( -1.528 -0.110 -4.331) 4.594 2.799 ( -3.374 -0.943 0.147) 3.507 3.022 ( 1.539 -9.773 -3.536) 10.506 3.322 ( 5.771 1.941 -4.665) 7.670 3.628 ( 2.272 -0.741 3.935) 4.604 3.742 ( -5.940 4.283 7.573) 10.534 3.783 ( -3.589 -4.630 7.553) 9.559 4.118 ( -1.975 -3.282 2.458) 4.552 4.530 ( 1.904 6.504 -9.478) 11.651 4.809 ( -2.096 -9.117 9.429) 13.283 5.014 ( 5.850 1.974 -5.169) 8.052 5.198 ( 9.610 0.283 -2.961) 10.060 5.449 ( 0.224 3.419 -0.743) 3.506 5.659 ( 2.071 9.579 0.752) 9.829 6.367 ( 4.967 -11.049 1.022) 12.157 6.528 ( 4.526 -3.202 4.297) 7.014 6.953 ( -7.967 8.355 -4.540) 12.405 7.137 ( -2.217 -0.928 -0.589) 2.474 7.375 ( 4.077 1.012 -0.246) 4.207 7.580 ( -0.255 1.116 -0.583) 1.285 7.679 ( -2.875 0.051 0.054) 2.876 7.738 ( -5.080 -1.134 0.735) 5.257 8.634 ( -7.878 1.342 -13.758) 15.910 8.956 ( 4.537 2.010 -5.288) 7.252 9.087 ( -7.903 -1.534 -3.070) 8.616 9.221 ( 8.013 6.878 -6.354) 12.324 9.562 ( -2.978 0.407 -0.697) 3.086 9.873 ( 1.985 0.565 -7.339) 7.624 9.900 ( 0.566 4.268 2.441) 4.949 10.199 ( 1.669 -1.950 -10.968) 11.264 10.398 ( -8.313 -12.117 14.703) 20.788 10.739 ( 4.519 -2.665 14.993) 15.884 11.138 ( 2.793 -3.478 1.104) 4.595 11.238 ( 4.129 -2.790 9.679) 10.886 11.434 ( 8.503 -0.594 4.085) 9.452 11.584 ( 8.251 5.944 -5.908) 11.761 11.818 ( -2.542 0.035 0.681) 2.632 12.006 ( -5.150 4.368 4.275) 7.992 12.377 ( -2.359 -7.792 4.319) 9.216 12.643 ( 0.592 4.359 2.929) 5.285 13.199 ( -2.626 11.039 -3.718) 11.941 13.719 ( -0.555 -4.673 -15.300) 16.007 15.716 ( -5.967 -1.877 -0.011) 6.256 16.261 ( 7.163 1.386 1.211) 7.396 16.343 ( 4.679 0.232 9.347) 10.455 16.658 ( 4.798 -5.415 -0.514) 7.253 ======================= Grid point 434 (211/282) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -15.179 9.330 1.717) 17.899 2.453 ( -9.683 7.316 11.758) 16.898 2.607 ( 6.483 -2.586 -2.253) 7.334 2.770 ( -2.962 -4.599 -0.156) 5.472 3.091 ( 0.392 -8.343 -0.338) 8.359 3.305 ( 4.484 4.711 -9.070) 11.161 3.670 ( -0.653 1.041 1.138) 1.675 3.760 ( -3.245 -0.257 13.259) 13.653 3.805 ( -6.932 -2.515 7.557) 10.559 4.122 ( 1.513 -0.908 -4.400) 4.741 4.384 ( -4.013 8.690 -4.024) 10.383 4.897 ( -3.768 -3.773 3.723) 6.503 5.024 ( 1.284 -3.381 -1.954) 4.110 5.240 ( 1.095 3.461 -1.079) 3.787 5.389 ( -1.485 2.809 -4.830) 5.782 5.593 ( -1.003 5.395 -2.973) 6.241 6.511 ( -0.562 -9.083 -0.502) 9.115 6.579 ( -1.607 6.019 0.924) 6.298 6.778 ( -1.228 0.641 -0.811) 1.605 7.136 ( 0.378 -3.421 -0.167) 3.446 7.449 ( 8.232 0.804 -3.238) 8.882 7.588 ( 3.099 -0.776 0.500) 3.234 7.668 ( -1.563 -1.622 1.870) 2.928 7.744 ( 2.653 -2.014 1.532) 3.667 8.449 ( -4.900 -3.680 -5.216) 8.047 8.912 ( -6.020 0.094 -1.469) 6.197 8.949 ( -3.601 0.418 -3.688) 5.171 9.184 ( 1.233 4.444 -4.851) 6.693 9.535 ( -1.028 -0.627 0.548) 1.323 9.837 ( 0.826 0.196 -5.139) 5.208 9.923 ( 2.900 4.825 3.325) 6.537 10.134 ( 2.209 -1.085 -7.815) 8.193 10.572 ( 1.416 -15.542 6.123) 16.765 10.877 ( -0.820 -0.327 7.199) 7.253 11.126 ( -3.245 3.719 -2.141) 5.380 11.336 ( -5.312 -4.182 0.436) 6.775 11.522 ( 6.113 6.030 -0.997) 8.644 11.684 ( 10.594 5.715 -2.505) 12.295 11.832 ( 3.550 -0.190 2.247) 4.206 11.982 ( 2.175 0.120 4.564) 5.057 12.446 ( 0.028 -5.176 2.103) 5.587 12.638 ( -1.560 2.297 1.579) 3.194 13.081 ( -1.424 7.616 2.964) 8.295 13.602 ( -1.387 -3.613 -10.823) 11.494 15.599 ( -11.947 -0.808 3.554) 12.490 16.296 ( -0.359 -0.156 -1.443) 1.495 16.531 ( 11.922 2.873 2.390) 12.494 16.742 ( 4.025 -0.266 -2.949) 4.997 ======================= Grid point 435 (212/282) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -13.517 9.984 12.958) 21.220 2.355 ( -12.153 9.064 15.539) 21.709 2.713 ( 3.360 0.045 2.832) 4.394 2.793 ( 0.799 -8.813 -0.484) 8.862 3.148 ( -2.590 -6.585 2.511) 7.508 3.235 ( 6.050 5.419 -10.916) 13.606 3.653 ( -2.016 2.702 2.109) 3.977 3.743 ( -10.208 1.052 7.543) 12.736 3.856 ( -4.780 -0.110 15.846) 16.552 4.055 ( 0.310 4.254 -12.799) 13.490 4.246 ( -4.010 5.415 3.256) 7.483 4.829 ( -3.204 2.165 -4.591) 6.002 5.033 ( -2.389 -2.900 -4.521) 5.879 5.219 ( -4.490 -4.577 3.923) 7.516 5.282 ( 1.188 6.513 -7.331) 9.878 5.487 ( -4.128 -1.189 -7.306) 8.475 6.386 ( -7.187 7.707 -3.651) 11.153 6.480 ( -5.180 5.553 -2.147) 7.892 6.922 ( 6.468 -12.269 4.179) 14.485 7.192 ( 2.278 -5.569 -0.129) 6.018 7.539 ( 9.975 1.057 -5.646) 11.511 7.698 ( 6.529 -2.825 1.907) 7.365 7.699 ( -0.202 -3.462 3.167) 4.696 7.829 ( 4.420 -0.745 0.766) 4.547 8.425 ( -3.447 -8.101 2.118) 9.055 8.776 ( -10.933 -5.052 -1.061) 12.090 8.911 ( 2.140 3.786 1.144) 4.497 9.131 ( -0.393 2.657 -0.508) 2.734 9.538 ( -0.672 -0.896 1.838) 2.153 9.778 ( -4.714 -1.474 -1.157) 5.072 9.939 ( 1.516 10.253 3.405) 10.909 10.184 ( 10.874 -7.538 -8.736) 15.855 10.720 ( -1.374 -11.217 -4.354) 12.111 10.898 ( -4.606 -3.459 3.982) 7.003 10.979 ( -4.180 7.631 -1.871) 8.900 11.224 ( -5.877 -0.841 -4.478) 7.436 11.569 ( 4.596 6.474 0.610) 7.963 11.643 ( 3.881 7.210 -13.586) 15.863 11.843 ( 3.670 3.717 -1.981) 5.587 12.224 ( 10.122 -3.443 7.313) 12.954 12.513 ( 2.408 -5.720 2.103) 6.553 12.591 ( -2.635 2.034 0.251) 3.338 13.104 ( 1.936 1.478 6.530) 6.970 13.530 ( -2.015 -0.763 -2.405) 3.229 15.446 ( -12.720 1.574 4.650) 13.634 16.236 ( -4.481 -2.268 -6.501) 8.215 16.675 ( 8.864 5.633 0.666) 10.524 16.720 ( 3.130 5.706 -6.494) 9.194 ======================= Grid point 436 (213/282) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -6.260 7.910 22.002) 24.204 2.263 ( -12.235 8.920 18.514) 23.917 2.752 ( -1.440 -1.681 2.780) 3.553 2.897 ( 3.589 -5.701 -0.085) 6.737 3.121 ( 0.773 0.323 -6.870) 6.921 3.260 ( 4.153 -0.686 1.064) 4.341 3.582 ( -6.578 8.379 6.085) 12.268 3.668 ( -7.539 1.480 8.341) 11.340 3.847 ( -7.198 9.503 -2.507) 12.182 3.928 ( -4.955 -0.352 11.974) 12.964 4.222 ( 1.605 -0.272 -3.180) 3.572 4.711 ( -1.800 2.177 -7.490) 8.005 4.916 ( -4.311 0.025 -8.936) 9.922 5.153 ( 2.398 6.579 -10.181) 12.356 5.274 ( -3.133 -8.480 2.232) 9.312 5.367 ( -3.876 -5.076 -7.129) 9.572 6.186 ( -6.739 7.813 -2.503) 10.617 6.312 ( -4.920 8.526 -3.716) 10.521 7.154 ( 5.262 -12.308 3.115) 13.743 7.277 ( 2.931 -7.017 -1.041) 7.676 7.617 ( 8.867 2.305 -5.626) 10.751 7.768 ( 1.762 -1.309 2.900) 3.637 7.805 ( 3.288 -1.244 -0.396) 3.537 7.910 ( 3.291 -4.365 1.643) 5.708 8.464 ( -4.016 -8.740 2.496) 9.937 8.646 ( -9.165 -4.675 -1.493) 10.396 8.996 ( 5.412 1.154 7.805) 9.568 9.131 ( -0.124 1.305 4.320) 4.514 9.576 ( 0.849 -1.821 3.997) 4.474 9.717 ( -6.749 -2.575 4.344) 8.430 9.896 ( 0.479 12.086 3.299) 12.538 10.361 ( 13.135 -11.626 -10.020) 20.201 10.561 ( -6.347 8.753 -10.541) 15.100 10.798 ( -8.163 4.373 1.591) 9.396 10.975 ( -4.522 -12.570 1.764) 13.474 11.135 ( 1.249 -2.755 -9.821) 10.277 11.451 ( -1.728 -1.026 -16.394) 16.517 11.626 ( 2.969 7.008 0.595) 7.635 11.836 ( 8.959 9.419 -6.718) 14.633 12.390 ( 3.290 -2.389 3.185) 5.164 12.493 ( -2.012 2.057 -2.871) 4.064 12.720 ( 6.546 -6.021 6.860) 11.232 13.215 ( 3.838 -0.292 6.916) 7.915 13.487 ( -3.746 2.109 2.967) 5.223 15.291 ( -10.198 3.394 4.073) 11.494 16.030 ( -10.657 1.339 -12.748) 16.669 16.666 ( 2.650 6.237 -1.549) 6.952 16.740 ( 6.666 6.417 -2.281) 9.530 ======================= Grid point 437 (214/282) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.802 6.137 23.248) 24.057 2.222 ( -9.257 7.149 19.408) 22.660 2.766 ( -1.319 -1.902 1.939) 3.019 2.961 ( 2.408 -2.507 -2.530) 4.299 3.073 ( 2.986 -0.301 -8.566) 9.077 3.308 ( 2.207 1.813 -5.150) 5.889 3.530 ( -5.939 8.089 20.002) 22.378 3.626 ( -4.490 4.348 4.251) 7.558 3.699 ( -4.504 4.747 6.836) 9.463 3.958 ( -7.495 0.014 12.859) 14.884 4.211 ( 1.755 -0.763 -6.022) 6.319 4.605 ( 0.313 0.805 -9.010) 9.051 4.745 ( -4.197 0.566 -11.373) 12.136 5.033 ( 6.345 4.957 -17.953) 19.676 5.293 ( -4.056 -9.281 0.449) 10.139 5.343 ( -0.096 -5.260 -1.826) 5.569 6.023 ( -4.642 7.371 -0.574) 8.730 6.145 ( -2.793 8.269 -4.479) 9.811 7.308 ( 1.746 -8.991 0.436) 9.170 7.359 ( 2.434 -7.154 -2.353) 7.915 7.656 ( 5.934 4.025 -4.543) 8.488 7.750 ( 0.090 5.997 -3.027) 6.719 7.898 ( 1.074 -7.810 4.262) 8.962 8.009 ( 2.313 -4.649 1.008) 5.289 8.477 ( -3.061 -5.723 0.368) 6.501 8.547 ( -5.559 -3.177 -1.545) 6.587 9.161 ( 1.423 1.412 10.650) 10.837 9.189 ( 2.363 -1.119 7.279) 7.734 9.667 ( 1.234 -4.798 4.761) 6.871 9.713 ( -4.615 0.400 11.381) 12.288 9.846 ( -0.280 8.828 3.267) 9.417 10.288 ( -4.671 11.499 -7.498) 14.501 10.526 ( 10.972 -9.524 -13.651) 19.936 10.720 ( -2.269 0.429 4.544) 5.097 10.988 ( -5.756 -12.959 -2.444) 14.389 11.076 ( 1.112 -4.060 -12.288) 12.989 11.272 ( -1.389 -0.658 -15.017) 15.095 11.514 ( -6.501 5.612 -6.337) 10.673 11.915 ( 16.271 8.016 -4.202) 18.619 12.287 ( -11.180 4.750 -1.653) 12.259 12.606 ( 11.050 -2.513 2.073) 11.520 12.857 ( -2.739 -4.510 4.702) 7.068 13.324 ( -4.989 1.268 12.487) 13.506 13.469 ( 6.050 2.167 -1.552) 6.611 15.181 ( -4.949 3.392 3.240) 6.819 15.694 ( -10.393 6.156 -13.191) 17.886 16.668 ( 1.929 2.993 0.785) 3.647 16.747 ( 3.220 5.584 -1.908) 6.722 ======================= Grid point 438 (215/282) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 5.887 4.410 18.712) 20.106 2.245 ( -4.996 5.408 16.969) 18.497 2.778 ( 0.645 -1.222 -1.468) 2.016 2.974 ( 4.500 -0.217 -6.401) 7.828 3.050 ( 2.254 -2.843 -6.472) 7.420 3.219 ( 1.288 4.880 -9.201) 10.495 3.548 ( -9.993 6.700 18.503) 22.071 3.659 ( 0.130 -2.772 8.454) 8.898 3.766 ( 3.016 5.447 14.491) 15.772 3.969 ( -7.303 0.197 14.759) 16.469 4.150 ( -1.844 0.703 -6.891) 7.168 4.532 ( -0.135 -1.991 -9.824) 10.024 4.584 ( 2.022 1.804 -11.747) 12.056 4.935 ( 10.438 2.466 -21.944) 24.425 5.314 ( -3.994 -7.584 1.797) 8.758 5.373 ( 1.663 -3.726 -1.091) 4.223 5.930 ( -0.694 5.985 0.732) 6.069 6.026 ( 0.446 6.209 -4.146) 7.480 7.357 ( -1.762 -5.558 -0.933) 5.904 7.420 ( 2.839 -6.085 -3.327) 7.494 7.651 ( 1.281 4.270 -2.570) 5.145 7.662 ( -0.355 5.177 -3.180) 6.086 8.004 ( -0.081 -6.624 3.266) 7.385 8.063 ( 0.122 -3.124 0.222) 3.134 8.483 ( -0.566 -2.949 0.253) 3.014 8.506 ( -0.544 -2.425 -1.006) 2.682 9.219 ( -0.869 4.006 8.445) 9.387 9.322 ( 1.410 -1.655 6.329) 6.692 9.744 ( -4.310 5.377 11.128) 13.089 9.762 ( -0.926 -4.891 7.476) 8.982 9.876 ( 4.679 0.545 3.970) 6.160 10.150 ( 0.136 7.025 2.778) 7.556 10.555 ( 3.830 -8.697 -16.667) 19.186 10.759 ( 2.864 2.101 -1.536) 3.870 10.914 ( -4.260 -4.890 -15.245) 16.567 11.021 ( -4.269 -6.823 1.903) 8.270 11.188 ( 4.743 -2.363 -7.635) 9.294 11.282 ( -7.187 5.005 -7.761) 11.702 12.016 ( -15.655 6.238 -1.793) 16.947 12.075 ( 15.272 4.479 -3.775) 16.357 12.803 ( -7.346 -1.899 2.844) 8.103 12.824 ( 7.284 -2.159 2.287) 7.934 13.278 ( -12.559 1.371 12.544) 17.804 13.612 ( 14.338 1.155 -3.817) 14.882 15.160 ( 1.039 2.267 3.220) 4.073 15.420 ( -3.208 5.826 -10.458) 12.393 16.666 ( -2.325 1.411 1.461) 3.088 16.725 ( 1.198 3.829 -1.282) 4.212 ======================= Grid point 441 (216/282) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 7.039 0.000 -14.208) 15.856 2.651 ( -2.419 -0.000 3.631) 4.363 2.674 ( -0.795 -0.000 -2.454) 2.579 2.901 ( -0.032 -0.000 -8.457) 8.457 2.910 ( -8.537 -0.000 -1.483) 8.665 3.248 ( 6.017 0.000 1.569) 6.218 3.589 ( 1.600 0.000 -3.600) 3.940 3.663 ( -3.411 -0.000 14.336) 14.737 3.892 ( -7.114 -0.000 3.686) 8.012 3.998 ( -1.958 -0.000 9.060) 9.269 4.612 ( -0.429 -0.000 9.160) 9.170 4.657 ( 8.616 0.000 -13.009) 15.604 4.961 ( 6.007 0.000 3.761) 7.087 5.004 ( 20.750 0.000 -15.084) 25.653 5.530 ( 1.149 0.000 0.702) 1.347 5.667 ( 8.367 0.000 6.455) 10.568 6.173 ( 3.241 0.000 1.023) 3.398 6.294 ( 8.503 0.000 2.260) 8.798 7.177 ( -6.140 -0.000 0.674) 6.177 7.240 ( -6.348 -0.000 -3.586) 7.291 7.360 ( -0.579 -0.000 0.084) 0.585 7.591 ( -1.580 -0.000 0.521) 1.663 7.795 ( -7.125 -0.000 -1.674) 7.319 7.841 ( -7.532 -0.000 -0.513) 7.549 8.925 ( 7.572 0.000 -5.152) 9.159 8.991 ( -7.989 -0.000 -18.369) 20.031 9.116 ( 6.388 0.000 -1.290) 6.517 9.279 ( 6.342 0.000 -7.514) 9.833 9.622 ( -2.307 -0.000 -1.675) 2.850 9.909 ( -7.079 -0.000 0.412) 7.091 9.976 ( 5.118 0.000 -10.643) 11.810 10.210 ( 3.435 0.000 -12.265) 12.737 10.355 ( -22.858 -0.000 19.955) 30.343 10.379 ( 6.475 0.000 22.169) 23.095 11.010 ( 1.473 0.000 5.223) 5.427 11.044 ( 6.648 0.000 9.198) 11.349 11.238 ( 9.251 0.000 4.576) 10.321 11.674 ( 2.876 0.000 -7.550) 8.079 11.697 ( 8.185 0.000 4.682) 9.430 12.180 ( -3.761 -0.000 4.380) 5.773 12.291 ( -14.988 -0.000 6.628) 16.388 12.673 ( 0.911 0.000 -0.939) 1.309 13.431 ( 0.954 0.000 -3.967) 4.080 13.784 ( 1.999 0.000 -16.210) 16.333 15.675 ( 11.091 0.000 -3.729) 11.701 16.121 ( 10.998 0.000 15.077) 18.662 16.197 ( -5.342 -0.000 3.949) 6.644 16.542 ( -1.203 -0.000 -0.958) 1.538 ======================= Grid point 442 (217/282) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 5.853 1.242 -13.019) 14.328 2.584 ( -6.808 0.765 -2.086) 7.161 2.619 ( -6.707 4.471 6.980) 10.663 2.780 ( -6.487 -0.938 0.633) 6.585 2.890 ( 2.531 -6.161 -3.454) 7.503 3.344 ( 6.151 0.779 -1.771) 6.448 3.619 ( 3.721 -0.347 0.454) 3.765 3.733 ( -4.597 -1.665 10.240) 11.348 3.806 ( -6.487 3.024 5.055) 8.762 4.064 ( -2.085 -2.831 6.889) 7.734 4.606 ( 4.912 3.198 -13.957) 15.138 4.704 ( -1.932 -4.191 9.332) 10.411 5.047 ( 3.241 1.767 0.138) 3.694 5.166 ( 13.525 -2.457 -9.852) 16.912 5.536 ( 0.840 4.935 1.341) 5.183 5.780 ( 1.515 4.758 2.854) 5.752 6.233 ( 2.094 -5.146 0.434) 5.573 6.461 ( 6.940 -3.677 3.533) 8.612 7.060 ( -7.216 5.227 -2.654) 9.297 7.118 ( -5.019 -1.966 -1.696) 5.650 7.380 ( 4.249 -0.082 -1.811) 4.619 7.599 ( 2.265 0.938 0.641) 2.534 7.677 ( -5.630 -0.233 -0.669) 5.675 7.726 ( -7.145 -0.351 0.570) 7.177 8.638 ( -10.598 -0.195 -15.593) 18.854 8.986 ( 5.509 1.338 -6.627) 8.721 9.062 ( -7.456 -1.279 -3.283) 8.247 9.306 ( 7.106 3.504 -10.607) 13.239 9.586 ( -3.691 1.740 2.597) 4.837 9.832 ( -1.341 -1.659 -3.340) 3.963 10.010 ( 7.597 4.209 -1.239) 8.773 10.148 ( 2.367 -2.814 -13.636) 14.123 10.257 ( -12.194 -4.943 16.258) 20.915 10.715 ( 5.917 -0.885 21.339) 22.162 11.090 ( 4.296 -1.785 1.384) 4.854 11.202 ( 2.495 -1.567 6.374) 7.022 11.430 ( 6.844 -0.049 6.099) 9.167 11.658 ( 8.374 2.842 -6.424) 10.930 11.803 ( 0.619 -0.958 0.697) 1.337 12.103 ( -7.058 7.012 4.409) 10.882 12.255 ( -1.658 -7.418 5.922) 9.635 12.693 ( 1.267 1.797 1.102) 2.460 13.352 ( -2.949 7.273 -2.250) 8.164 13.639 ( -0.661 -4.619 -17.595) 18.203 15.694 ( -5.858 -0.806 0.524) 5.936 16.288 ( 9.932 1.882 1.921) 10.290 16.331 ( 2.559 -1.522 7.094) 7.694 16.598 ( 7.103 -2.030 2.595) 7.830 ======================= Grid point 443 (218/282) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -10.005 9.921 -0.512) 14.099 2.541 ( -1.636 -5.140 -0.566) 5.423 2.567 ( -0.370 4.769 5.850) 7.557 2.714 ( -5.345 -0.970 2.181) 5.854 2.967 ( 0.504 -7.560 1.945) 7.822 3.364 ( 4.565 2.698 -8.411) 9.943 3.686 ( 2.258 0.792 1.259) 2.704 3.749 ( -3.876 -1.059 7.290) 8.324 3.786 ( -5.213 -0.041 10.508) 11.730 4.101 ( -0.238 -1.495 0.462) 1.582 4.495 ( 0.513 5.413 -9.494) 10.941 4.797 ( -4.114 -6.334 9.786) 12.362 5.037 ( 0.018 2.679 -2.962) 3.993 5.228 ( 2.876 -3.575 -8.134) 9.339 5.496 ( -0.374 9.289 0.481) 9.309 5.707 ( -3.850 7.446 -2.357) 8.708 6.334 ( 1.330 -11.320 0.850) 11.429 6.602 ( 3.360 -2.176 3.021) 5.014 6.856 ( -6.489 7.836 -4.738) 11.223 7.077 ( -2.590 -4.741 -0.452) 5.421 7.447 ( 8.401 -0.643 -5.536) 10.081 7.591 ( -0.995 1.004 1.463) 2.034 7.648 ( -4.150 -1.159 2.720) 5.096 7.716 ( 5.735 -1.489 1.148) 6.035 8.400 ( -6.593 -2.404 -7.288) 10.117 8.888 ( -11.300 -1.580 -2.940) 11.783 8.973 ( 1.088 1.107 -4.271) 4.544 9.243 ( 1.138 3.015 -7.877) 8.511 9.540 ( -3.388 0.825 3.008) 4.605 9.809 ( 1.725 0.173 -5.363) 5.637 10.012 ( -3.629 1.111 1.137) 3.962 10.129 ( 8.829 0.451 -8.638) 12.360 10.369 ( 2.181 -8.245 6.783) 10.897 10.890 ( -4.293 1.473 12.099) 12.922 11.162 ( 2.548 1.017 -2.407) 3.650 11.266 ( -1.957 -4.517 0.491) 4.947 11.570 ( 5.275 0.756 4.794) 7.168 11.765 ( 12.731 4.513 -2.374) 13.714 11.815 ( 1.855 -1.401 1.868) 2.982 12.029 ( 0.305 4.769 0.118) 4.781 12.357 ( -0.156 -5.715 5.329) 7.815 12.683 ( -0.956 2.777 -0.476) 2.975 13.221 ( -2.770 10.110 0.093) 10.483 13.521 ( -1.662 -6.963 -10.451) 12.668 15.588 ( -10.865 -0.567 4.632) 11.825 16.294 ( -2.873 -0.072 -1.507) 3.245 16.554 ( 16.236 0.387 -0.615) 16.253 16.744 ( 5.481 0.510 2.636) 6.104 ======================= Grid point 444 (219/282) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -11.153 11.656 9.404) 18.673 2.491 ( -8.246 5.929 10.343) 14.496 2.649 ( -3.468 -7.207 2.908) 8.510 2.716 ( 5.476 0.277 3.250) 6.374 3.045 ( -2.332 -6.854 5.451) 9.062 3.298 ( 4.468 2.755 -12.699) 13.741 3.701 ( -0.597 3.467 3.991) 5.321 3.749 ( -4.150 0.031 3.502) 5.430 3.850 ( -3.520 -0.978 13.034) 13.536 4.074 ( 1.720 -0.261 -10.444) 10.588 4.370 ( -4.158 8.472 1.534) 9.561 4.831 ( -5.696 -2.790 2.762) 6.918 4.981 ( -1.064 -1.001 -3.669) 3.949 5.169 ( -4.751 -3.517 -4.034) 7.156 5.399 ( -1.471 9.067 -1.621) 9.328 5.535 ( -4.462 6.135 -8.304) 11.247 6.400 ( -4.044 -5.626 -1.078) 7.011 6.601 ( -2.094 9.577 -1.894) 9.984 6.762 ( 1.790 -7.248 1.012) 7.534 7.101 ( -0.302 -6.733 0.394) 6.752 7.531 ( 9.568 -2.175 -7.038) 12.075 7.623 ( -0.061 -3.283 2.311) 4.016 7.674 ( 2.335 -1.979 4.331) 5.304 7.833 ( 7.132 0.850 0.071) 7.183 8.323 ( -3.596 -4.953 0.338) 6.130 8.705 ( -11.385 -3.911 -2.354) 12.266 8.949 ( -0.050 1.068 1.189) 1.599 9.169 ( -0.422 2.172 -3.205) 3.894 9.537 ( -0.164 0.532 2.250) 2.318 9.749 ( -3.574 -0.507 -3.078) 4.744 10.020 ( 2.656 -4.071 0.211) 4.865 10.157 ( 6.405 5.376 -5.829) 10.193 10.518 ( 2.604 -10.900 -1.268) 11.279 10.861 ( -8.454 -0.874 4.911) 9.816 11.109 ( -0.065 6.512 -4.490) 7.910 11.211 ( -4.487 -0.966 -3.208) 5.600 11.655 ( 2.052 4.817 0.187) 5.239 11.738 ( -1.247 3.639 -9.506) 10.255 11.906 ( 10.804 4.646 -2.635) 12.052 12.179 ( 11.098 -2.036 8.325) 14.022 12.421 ( -0.977 -5.871 1.944) 6.261 12.627 ( -1.965 2.619 -0.780) 3.366 13.157 ( 2.390 5.224 1.221) 5.873 13.493 ( -2.449 -3.981 1.289) 4.848 15.472 ( -11.244 1.602 6.741) 13.207 16.209 ( -4.416 -1.301 -5.791) 7.398 16.748 ( 12.440 3.570 -2.513) 13.184 16.792 ( 2.793 3.640 -1.911) 4.970 ======================= Grid point 445 (220/282) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -5.702 9.804 18.493) 21.694 2.412 ( -10.032 9.443 14.704) 20.150 2.673 ( -3.449 -8.381 2.362) 9.365 2.844 ( 3.866 -0.279 3.738) 5.385 3.105 ( -1.027 -2.732 3.373) 4.460 3.252 ( 5.996 -0.338 -8.483) 10.394 3.685 ( -6.267 0.822 5.305) 8.252 3.704 ( 0.369 7.041 0.306) 7.057 3.919 ( -4.273 -0.815 11.292) 12.101 3.960 ( -1.618 3.631 -8.237) 9.146 4.280 ( -3.942 8.184 5.727) 10.739 4.738 ( -4.796 1.034 -3.989) 6.323 4.907 ( -2.460 -0.950 -9.770) 10.119 5.122 ( -6.145 -7.580 3.878) 10.500 5.304 ( 1.817 8.453 -6.755) 10.972 5.331 ( -4.264 1.392 -9.850) 10.823 6.287 ( -6.668 4.583 -1.913) 8.314 6.453 ( -2.400 10.366 -4.508) 11.556 6.944 ( 4.595 -14.488 3.925) 15.698 7.165 ( 0.809 -7.749 0.063) 7.792 7.625 ( 7.805 -1.679 -4.950) 9.393 7.687 ( 1.058 -6.109 2.292) 6.610 7.793 ( 5.100 -2.771 2.151) 6.190 7.893 ( 3.225 2.444 -1.911) 4.475 8.342 ( -2.527 -6.623 2.572) 7.541 8.566 ( -8.646 -5.421 -2.080) 10.415 9.007 ( 2.933 -0.158 7.134) 7.715 9.148 ( 0.016 0.922 2.302) 2.480 9.557 ( 1.120 0.408 0.714) 1.390 9.691 ( -5.341 -1.408 5.570) 7.844 10.080 ( -0.449 9.087 4.782) 10.279 10.179 ( 9.383 -9.904 -11.534) 17.865 10.554 ( -1.890 -7.265 -7.093) 10.328 10.798 ( -6.241 -5.367 2.016) 8.474 10.969 ( -4.157 11.321 -3.937) 12.686 11.119 ( -1.163 0.126 -6.662) 6.764 11.457 ( -3.261 1.673 -17.361) 17.744 11.729 ( 0.379 6.038 1.726) 6.291 11.971 ( 9.924 7.788 -5.857) 13.908 12.343 ( 2.171 -3.536 3.480) 5.416 12.508 ( 1.769 -0.930 -2.343) 3.079 12.634 ( 4.192 -3.850 6.017) 8.283 13.232 ( 6.420 2.378 4.565) 8.228 13.499 ( -4.518 -0.645 5.793) 7.375 15.353 ( -9.773 4.451 6.787) 12.704 16.051 ( -6.652 1.195 -9.972) 12.047 16.757 ( 0.582 5.262 -1.261) 5.442 16.834 ( 8.238 5.378 -5.041) 11.054 ======================= Grid point 446 (221/282) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.852 7.315 22.159) 23.351 2.349 ( -8.591 8.819 16.494) 20.583 2.715 ( -1.724 -5.383 2.978) 6.389 2.899 ( 0.040 -2.998 0.178) 3.003 3.108 ( 4.909 2.886 -7.873) 9.717 3.309 ( 3.297 -1.439 -1.001) 3.734 3.615 ( -3.812 2.909 2.204) 5.277 3.669 ( -0.416 2.503 -0.314) 2.557 3.854 ( -3.373 11.331 9.436) 15.126 3.956 ( -6.765 -0.178 12.343) 14.077 4.229 ( -1.234 4.590 1.426) 4.962 4.616 ( -3.810 0.481 -5.968) 7.097 4.755 ( -2.275 0.737 -12.162) 12.394 5.116 ( 1.002 0.851 -16.815) 16.866 5.152 ( -2.890 -4.304 3.010) 5.995 5.287 ( 1.536 -1.015 -2.780) 3.334 6.139 ( -4.355 7.452 -0.601) 8.653 6.289 ( -1.856 10.487 -5.243) 11.871 7.142 ( 2.467 -12.714 2.283) 13.151 7.239 ( 1.334 -8.322 -1.118) 8.502 7.695 ( 5.884 -0.120 -3.620) 6.910 7.779 ( 0.872 -6.557 3.055) 7.287 7.839 ( 0.611 5.027 -3.371) 6.084 7.918 ( 1.869 -6.042 0.227) 6.329 8.381 ( -1.130 -6.290 0.617) 6.421 8.480 ( -5.429 -5.185 -1.782) 7.715 9.154 ( 3.691 -1.254 8.742) 9.572 9.200 ( 0.728 1.020 8.512) 8.604 9.588 ( -0.668 -3.702 3.195) 4.936 9.730 ( -1.039 0.436 10.897) 10.955 10.008 ( -2.239 11.423 3.589) 12.181 10.277 ( 2.905 -12.089 -12.517) 17.643 10.490 ( 4.227 1.364 -8.869) 9.920 10.767 ( -4.009 3.330 3.387) 6.216 10.798 ( -5.337 -5.352 -4.496) 8.795 11.035 ( -0.340 -1.312 -9.349) 9.446 11.267 ( 0.109 -0.089 -15.310) 15.310 11.603 ( -6.512 5.491 -7.229) 11.172 12.035 ( 11.866 7.034 -2.527) 14.023 12.352 ( -7.041 3.414 -0.460) 7.838 12.560 ( 8.749 -3.214 1.638) 9.464 12.782 ( -0.050 -4.809 4.574) 6.637 13.351 ( -2.762 2.191 11.647) 12.169 13.496 ( 4.079 1.253 -0.074) 4.268 15.253 ( -5.853 5.727 5.878) 10.080 15.800 ( -6.577 7.094 -12.389) 15.718 16.723 ( 0.136 3.781 0.413) 3.806 16.834 ( 3.644 5.439 -4.057) 7.702 ======================= Grid point 447 (222/282) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 4.341 6.301 19.561) 21.004 2.345 ( -4.094 7.154 15.194) 17.286 2.756 ( 0.557 -1.856 1.216) 2.288 2.919 ( -0.162 -4.686 -1.284) 4.862 3.070 ( 6.054 3.212 -11.124) 13.065 3.281 ( 1.893 2.826 -10.251) 10.800 3.621 ( -1.182 -2.088 6.779) 7.191 3.639 ( -4.434 3.654 6.041) 8.338 3.900 ( 2.366 11.216 16.678) 20.238 3.973 ( -6.922 0.590 15.329) 16.829 4.176 ( -2.332 3.467 -2.130) 4.690 4.502 ( -2.845 -1.844 -7.705) 8.418 4.617 ( 2.117 2.347 -11.445) 11.873 4.980 ( 7.962 2.608 -20.582) 22.222 5.187 ( -4.258 -7.912 3.615) 9.685 5.315 ( 3.578 -2.735 -2.362) 5.086 6.039 ( -0.780 7.889 0.603) 7.950 6.148 ( 0.310 9.356 -4.760) 10.502 7.249 ( -0.450 -8.478 0.350) 8.497 7.311 ( 1.947 -8.063 -2.144) 8.568 7.719 ( 2.774 3.936 -3.210) 5.787 7.743 ( -1.890 4.689 -4.192) 6.568 7.881 ( -0.621 -8.634 4.575) 9.791 7.985 ( 0.320 -6.629 -0.680) 6.672 8.422 ( 1.009 -4.678 0.061) 4.786 8.448 ( -1.567 -4.846 -1.336) 5.265 9.271 ( 0.243 0.106 8.214) 8.219 9.305 ( 1.913 1.532 8.623) 8.965 9.662 ( -2.711 -5.636 9.164) 11.095 9.850 ( 3.889 2.147 9.111) 10.137 9.925 ( -2.103 9.091 3.779) 10.068 10.200 ( -1.239 -2.958 -8.887) 9.448 10.477 ( 4.750 0.387 -12.293) 13.184 10.766 ( -1.750 -12.607 -8.914) 15.539 10.774 ( 1.402 1.228 4.481) 4.853 10.959 ( -2.045 -2.010 -2.413) 3.748 11.162 ( 4.052 -0.436 -12.032) 12.704 11.360 ( -7.497 4.544 -9.847) 13.184 12.127 ( -11.801 7.196 -0.721) 13.841 12.157 ( 9.312 5.866 -1.896) 11.168 12.757 ( 5.176 -4.018 2.631) 7.061 12.785 ( -3.416 -2.539 2.217) 4.799 13.305 ( -13.423 2.028 12.655) 18.559 13.634 ( 14.403 1.668 -3.425) 14.898 15.217 ( -0.278 5.073 5.361) 7.386 15.544 ( -1.703 9.860 -11.451) 15.207 16.698 ( -2.399 2.485 1.910) 3.947 16.793 ( 0.743 4.616 -2.718) 5.408 ======================= Grid point 448 (223/282) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -3.223 5.183 13.431) 14.753 2.475 ( 8.495 5.659 10.290) 14.493 2.767 ( 2.714 0.318 -6.072) 6.659 2.951 ( 1.758 -4.318 -1.171) 4.807 3.049 ( 5.976 1.344 -7.710) 9.847 3.184 ( 2.553 2.926 -10.139) 10.858 3.595 ( -7.967 4.851 11.055) 14.465 3.702 ( -0.416 -3.980 5.770) 7.022 3.964 ( -3.107 4.547 11.992) 13.196 4.036 ( -4.968 2.615 -5.593) 7.925 4.138 ( 2.706 5.895 21.889) 22.830 4.422 ( 2.117 -1.924 -8.919) 9.366 4.585 ( 7.485 1.412 -7.306) 10.555 4.909 ( 12.162 1.968 -22.125) 25.324 5.211 ( -4.183 -7.731 2.975) 9.280 5.385 ( 4.500 -3.055 -1.150) 5.559 6.005 ( 2.632 7.101 1.089) 7.651 6.075 ( 3.810 7.078 -3.054) 8.599 7.284 ( -1.465 -5.178 -0.043) 5.382 7.376 ( 1.451 -7.218 -2.492) 7.773 7.612 ( -4.763 3.375 -2.959) 6.545 7.694 ( 0.395 4.663 -1.438) 4.896 7.960 ( -2.458 -7.589 2.641) 8.403 8.013 ( -1.487 -5.224 -0.833) 5.495 8.485 ( 3.441 -4.138 -0.085) 5.382 8.502 ( 4.566 -4.171 0.587) 6.212 9.322 ( -0.453 4.118 5.939) 7.241 9.376 ( 0.875 0.702 2.084) 2.367 9.762 ( -4.968 -6.634 13.382) 15.741 9.863 ( 1.600 8.144 2.618) 8.702 9.991 ( 4.944 0.864 2.597) 5.650 10.214 ( 4.055 -7.912 -1.761) 9.063 10.388 ( -1.610 1.859 -5.162) 5.717 10.664 ( 0.293 -1.133 -21.343) 21.375 10.795 ( -3.433 -1.497 3.168) 4.906 10.955 ( -7.765 2.452 6.111) 10.182 11.169 ( 5.804 -4.683 -4.592) 8.758 11.227 ( 6.382 0.069 -4.957) 8.081 11.814 ( -16.508 8.303 -0.315) 18.481 12.265 ( 8.347 3.178 -0.662) 8.956 12.650 ( -11.236 0.424 0.783) 11.271 12.920 ( 1.433 -3.918 2.388) 4.807 13.226 ( -7.243 -0.195 8.377) 11.076 13.792 ( 13.080 2.108 -5.338) 14.283 15.281 ( 5.684 3.516 6.410) 9.260 15.395 ( 4.921 8.257 -9.320) 13.389 16.630 ( -6.648 2.769 1.906) 7.449 16.740 ( -1.207 3.525 -0.996) 3.856 ======================= Grid point 452 (224/282) ======================= q-point: ( 0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -2.376 -0.000 -3.599) 4.313 2.449 ( -8.746 -0.000 0.006) 8.746 2.605 ( 1.002 0.000 2.694) 2.875 2.734 ( -6.285 -0.000 7.337) 9.661 2.889 ( 1.242 0.000 1.579) 2.009 3.385 ( 4.128 0.000 -7.974) 8.979 3.692 ( 4.128 0.000 2.070) 4.618 3.739 ( -3.846 -0.000 7.093) 8.069 3.789 ( -5.755 -0.000 8.366) 10.155 4.088 ( -0.463 -0.000 2.533) 2.575 4.540 ( 2.757 0.000 -12.465) 12.766 4.743 ( -4.652 -0.000 11.600) 12.498 5.067 ( -2.092 -0.000 0.675) 2.198 5.188 ( 5.151 0.000 -12.194) 13.238 5.587 ( 0.908 0.000 0.519) 1.046 5.773 ( -6.073 -0.000 -0.922) 6.143 6.231 ( 0.823 0.000 0.763) 1.122 6.574 ( 5.153 0.000 2.607) 5.775 6.963 ( -5.876 -0.000 -4.111) 7.171 6.998 ( -4.878 -0.000 -1.332) 5.056 7.441 ( 8.210 0.000 -5.968) 10.150 7.604 ( -2.957 -0.000 2.202) 3.687 7.635 ( -5.674 -0.000 2.180) 6.078 7.704 ( 8.047 0.000 1.212) 8.138 8.381 ( -6.854 -0.000 -8.001) 10.536 8.875 ( -11.447 -0.000 -3.499) 11.970 8.980 ( 1.121 0.000 -4.620) 4.754 9.268 ( 0.781 0.000 -9.087) 9.120 9.546 ( -6.449 -0.000 5.143) 8.248 9.834 ( 6.508 0.000 -5.800) 8.717 9.995 ( -4.421 -0.000 -7.776) 8.945 10.111 ( 1.739 0.000 1.349) 2.201 10.335 ( 8.743 0.000 3.639) 9.470 10.904 ( -6.561 -0.000 14.991) 16.364 11.168 ( 5.964 0.000 -1.896) 6.258 11.225 ( -0.748 -0.000 -0.799) 1.095 11.572 ( 4.387 0.000 7.287) 8.506 11.800 ( 0.530 0.000 1.809) 1.885 11.805 ( 13.373 0.000 -3.080) 13.724 12.079 ( -0.204 -0.000 -2.591) 2.599 12.302 ( 0.039 0.000 8.017) 8.017 12.706 ( -0.641 -0.000 -1.327) 1.474 13.353 ( -4.424 -0.000 7.749) 8.923 13.415 ( -0.682 -0.000 -18.962) 18.974 15.583 ( -10.370 -0.000 5.042) 11.531 16.294 ( -4.023 -0.000 -1.542) 4.308 16.555 ( 18.274 0.000 -1.601) 18.344 16.750 ( 5.776 0.000 4.657) 7.420 ======================= Grid point 454 (225/282) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -8.350 11.927 5.667) 15.623 2.408 ( -6.012 -11.226 2.593) 12.996 2.683 ( -8.741 4.727 9.882) 14.014 2.726 ( 8.546 1.592 5.242) 10.151 2.943 ( -2.559 -5.499 6.258) 8.715 3.324 ( 3.126 0.749 -13.102) 13.490 3.740 ( -4.168 0.501 4.186) 5.928 3.763 ( 2.560 2.536 3.211) 4.827 3.823 ( -2.527 -2.174 10.494) 11.011 4.069 ( 0.930 -0.209 -8.215) 8.271 4.468 ( -0.275 3.662 -2.473) 4.427 4.775 ( -6.229 -2.755 8.487) 10.882 5.004 ( -3.939 2.456 -1.135) 4.779 5.109 ( -1.636 -3.398 -10.610) 11.261 5.541 ( -2.796 7.438 -1.675) 8.121 5.613 ( -7.516 2.376 -5.607) 9.673 6.289 ( 0.953 -5.842 2.289) 6.346 6.647 ( 1.542 -2.051 0.386) 2.595 6.802 ( -3.584 10.230 -3.192) 11.300 6.975 ( -2.358 -9.493 -1.078) 9.841 7.496 ( 6.329 -1.493 -5.665) 8.624 7.595 ( -2.989 -0.812 2.973) 4.293 7.652 ( 5.079 -0.716 2.086) 5.538 7.845 ( 8.483 0.454 0.364) 8.503 8.273 ( -3.139 -1.574 -0.671) 3.575 8.663 ( -12.043 -1.412 -3.114) 12.519 8.953 ( -1.449 -0.101 1.114) 1.830 9.193 ( -0.812 0.852 -4.279) 4.438 9.535 ( -0.925 -0.606 4.247) 4.388 9.802 ( 0.190 7.062 -7.795) 10.520 9.926 ( 2.660 -7.257 -6.458) 10.072 10.155 ( -0.833 -3.983 2.964) 5.034 10.474 ( 8.701 2.530 -2.862) 9.503 10.854 ( -11.594 -0.314 6.629) 13.359 11.169 ( 0.257 1.314 -4.181) 4.390 11.198 ( -0.320 -0.230 -4.356) 4.373 11.707 ( 2.778 1.753 7.231) 7.942 11.759 ( -3.814 0.049 -9.477) 10.215 11.967 ( 13.264 2.445 -4.157) 14.113 12.170 ( 12.118 0.431 5.423) 13.283 12.346 ( -4.095 -3.177 3.339) 6.165 12.661 ( -1.592 1.339 -2.241) 3.058 13.249 ( 3.399 5.557 -7.748) 10.122 13.417 ( -4.175 -4.958 9.439) 11.450 15.491 ( -10.041 0.712 8.155) 12.955 16.195 ( -4.390 -0.478 -5.368) 6.951 16.782 ( 15.224 1.040 -4.773) 15.988 16.831 ( 1.762 1.377 1.313) 2.593 ======================= Grid point 455 (226/282) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -5.035 11.079 14.067) 18.601 2.454 ( -3.986 -7.908 5.734) 10.550 2.606 ( -8.939 3.612 10.270) 14.087 2.867 ( 2.019 2.989 6.206) 7.178 3.039 ( 0.873 -5.502 9.171) 10.730 3.249 ( 5.556 -0.172 -13.637) 14.726 3.695 ( -5.606 0.395 2.944) 6.344 3.794 ( 2.324 4.604 -0.898) 5.235 3.901 ( -2.659 -1.578 8.934) 9.454 3.978 ( 0.686 -0.157 -9.449) 9.475 4.422 ( -2.428 8.107 5.484) 10.084 4.736 ( -7.169 -1.174 1.061) 7.342 4.904 ( -1.178 1.191 -9.086) 9.239 5.019 ( -6.210 -5.728 -0.359) 8.456 5.374 ( -6.631 4.635 -5.380) 9.716 5.442 ( -1.320 7.043 -7.488) 10.364 6.327 ( -2.052 1.235 1.011) 2.599 6.635 ( -1.330 12.908 -3.458) 13.430 6.732 ( 1.941 -11.768 1.840) 12.068 7.028 ( -0.726 -10.452 -0.183) 10.478 7.571 ( 5.947 -4.463 -3.311) 8.140 7.607 ( -1.553 -3.445 3.419) 5.096 7.770 ( 7.803 -0.390 -0.911) 7.866 7.933 ( 4.620 2.136 -1.780) 5.392 8.268 ( -1.855 -3.018 2.478) 4.323 8.492 ( -8.771 -3.738 -2.627) 9.890 8.993 ( 1.159 -1.269 7.321) 7.521 9.160 ( -0.223 0.653 0.834) 1.082 9.586 ( 2.345 1.962 1.507) 3.408 9.684 ( -2.806 1.623 -1.070) 3.414 9.990 ( 5.260 -9.791 -7.013) 13.142 10.185 ( -2.516 -1.324 3.410) 4.440 10.493 ( 3.022 2.762 -6.472) 7.658 10.747 ( -8.729 -2.479 3.041) 9.570 11.095 ( -2.167 2.740 -4.679) 5.840 11.134 ( 0.536 2.984 -7.167) 7.782 11.497 ( -5.917 2.977 -17.014) 18.258 11.804 ( 0.276 3.541 3.103) 4.716 12.066 ( 8.033 4.296 -5.214) 10.496 12.293 ( 0.645 -2.479 2.503) 3.582 12.460 ( 8.932 -3.951 2.016) 9.973 12.619 ( 0.058 0.701 0.846) 1.100 13.280 ( 8.347 3.443 0.759) 9.061 13.471 ( -5.985 -2.563 10.556) 12.402 15.417 ( -9.016 3.455 9.339) 13.433 16.064 ( -4.398 0.399 -7.978) 9.118 16.822 ( -0.329 2.988 -0.955) 3.154 16.898 ( 9.333 2.810 -6.814) 11.893 ======================= Grid point 456 (227/282) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.119 7.865 19.896) 21.394 2.468 ( -6.330 5.089 11.049) 13.713 2.614 ( -2.867 -5.957 7.899) 10.301 2.880 ( -2.290 -0.014 2.125) 3.124 3.146 ( 5.988 2.080 -6.081) 8.784 3.272 ( 4.673 -3.132 -0.171) 5.628 3.631 ( -5.197 0.003 1.728) 5.476 3.716 ( 1.471 2.961 -10.617) 11.120 3.944 ( -1.162 0.185 6.345) 6.454 3.967 ( -1.925 2.142 8.141) 8.635 4.367 ( -3.431 11.360 7.824) 14.214 4.618 ( -7.157 -0.136 -2.723) 7.659 4.768 ( -0.199 0.944 -13.270) 13.305 5.001 ( -4.508 -7.679 0.557) 8.922 5.199 ( -3.332 2.829 -7.528) 8.705 5.334 ( 2.814 6.024 -6.067) 9.000 6.254 ( -2.556 7.855 0.718) 8.291 6.471 ( -1.022 13.183 -5.163) 14.195 6.919 ( 2.902 -15.947 3.325) 16.547 7.098 ( -0.101 -10.347 -0.753) 10.374 7.637 ( -0.643 -5.044 2.903) 5.855 7.692 ( 4.826 -6.503 -1.801) 8.296 7.856 ( 5.091 -0.326 -2.447) 5.658 7.916 ( -0.060 3.692 -3.386) 5.009 8.297 ( -0.282 -4.280 0.884) 4.379 8.400 ( -5.018 -4.852 -2.009) 7.263 9.135 ( 3.509 -1.302 8.638) 9.414 9.202 ( 1.089 -0.614 7.529) 7.632 9.568 ( -0.899 1.127 0.526) 1.535 9.721 ( 1.365 -1.410 6.453) 6.745 10.077 ( 3.913 -12.238 -9.019) 15.698 10.164 ( -3.428 6.733 6.309) 9.843 10.446 ( 2.038 -2.769 -7.360) 8.124 10.689 ( -4.622 -3.621 -0.331) 5.881 10.956 ( -3.492 11.499 -3.839) 12.616 11.027 ( -0.844 0.255 -9.645) 9.685 11.270 ( -0.464 0.595 -14.584) 14.603 11.673 ( -7.822 3.349 -9.255) 12.572 12.119 ( 7.640 3.740 0.081) 8.507 12.390 ( 0.285 1.694 1.674) 2.399 12.515 ( 4.351 -2.416 -0.241) 4.983 12.717 ( 2.664 -3.380 3.620) 5.624 13.389 ( -3.650 2.715 11.894) 12.735 13.504 ( 4.989 -0.346 0.875) 5.077 15.348 ( -6.519 6.190 8.841) 12.609 15.896 ( -3.116 4.942 -10.257) 11.805 16.777 ( -1.009 3.061 -0.564) 3.272 16.904 ( 3.732 3.444 -6.197) 8.012 ======================= Grid point 457 (228/282) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 1.259 5.138 20.636) 21.303 2.458 ( -1.660 7.215 11.419) 13.609 2.711 ( 0.004 -3.964 7.014) 8.056 2.869 ( -0.493 -1.680 -1.089) 2.062 3.117 ( 6.334 2.705 -13.117) 14.815 3.303 ( 1.845 0.122 -8.763) 8.956 3.594 ( -2.116 -1.330 3.578) 4.365 3.668 ( 0.750 0.730 -0.725) 1.273 3.972 ( -5.694 0.315 11.145) 12.519 4.039 ( 2.343 4.091 9.849) 10.919 4.301 ( -3.192 12.664 8.106) 15.371 4.479 ( -5.905 -1.047 -5.300) 8.003 4.651 ( 2.600 1.890 -10.993) 11.453 4.971 ( 1.332 -4.490 -11.402) 12.327 5.114 ( -2.501 -0.866 0.749) 2.750 5.314 ( 6.007 2.623 -5.406) 8.496 6.171 ( -0.287 9.548 1.351) 9.648 6.312 ( 0.119 12.062 -5.300) 13.176 7.090 ( 1.283 -12.598 1.746) 12.783 7.170 ( 0.672 -10.405 -1.705) 10.565 7.706 ( -0.646 -7.032 2.803) 7.598 7.766 ( 1.025 -1.902 -2.710) 3.466 7.833 ( -1.138 2.906 -2.581) 4.050 7.891 ( 1.049 -3.383 -1.996) 4.065 8.347 ( 1.903 -4.932 -0.194) 5.290 8.369 ( -1.592 -4.932 -1.516) 5.400 9.248 ( 0.606 -1.618 7.993) 8.177 9.329 ( 2.176 -0.100 7.855) 8.152 9.593 ( -1.638 -3.089 6.086) 7.019 9.842 ( 5.254 -2.362 4.855) 7.534 10.092 ( -0.965 2.217 1.009) 2.620 10.105 ( -2.712 1.822 -2.092) 3.880 10.486 ( 7.223 -4.726 -8.289) 11.967 10.605 ( -4.001 -4.213 -8.896) 10.625 10.838 ( 0.344 7.317 2.690) 7.803 10.941 ( -1.559 -0.519 -2.808) 3.253 11.167 ( 3.760 0.739 -11.655) 12.269 11.412 ( -8.098 2.100 -12.145) 14.748 12.212 ( 2.742 4.055 1.776) 5.207 12.254 ( -6.238 6.220 -1.884) 9.008 12.688 ( 7.710 -4.636 2.988) 9.480 12.748 ( -4.000 -2.303 1.081) 4.740 13.336 ( -13.969 1.950 12.842) 19.075 13.659 ( 14.313 1.464 -2.764) 14.651 15.312 ( -1.915 6.993 8.074) 10.852 15.704 ( 0.303 10.221 -11.275) 15.221 16.736 ( -2.686 2.224 1.550) 3.816 16.855 ( 0.352 3.130 -4.281) 5.315 ======================= Grid point 458 (229/282) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -4.598 4.213 14.768) 16.030 2.577 ( 7.504 7.147 9.708) 14.199 2.778 ( 2.949 1.004 -3.652) 4.800 2.884 ( -0.363 -3.998 3.523) 5.341 3.073 ( 6.912 1.475 -11.667) 13.641 3.211 ( 2.192 0.611 -12.024) 12.237 3.642 ( -0.443 -3.537 3.429) 4.946 3.663 ( -2.472 3.496 4.912) 6.516 4.000 ( -6.631 0.729 13.389) 14.959 4.080 ( -2.675 2.938 -1.418) 4.219 4.292 ( 3.003 11.500 14.941) 19.091 4.388 ( 0.338 -1.042 -4.254) 4.393 4.618 ( 6.657 2.486 -6.212) 9.438 4.919 ( 7.460 -1.414 -16.495) 18.158 5.112 ( -3.648 -4.151 3.432) 6.505 5.361 ( 7.688 0.405 -4.651) 8.995 6.132 ( 2.598 9.211 1.774) 9.734 6.201 ( 2.562 9.380 -3.962) 10.500 7.187 ( 0.082 -7.864 0.529) 7.882 7.242 ( 0.667 -10.270 -2.333) 10.552 7.652 ( -6.904 1.381 -3.301) 7.776 7.754 ( 0.413 1.396 -0.909) 1.716 7.839 ( -2.128 -5.759 2.639) 6.683 7.920 ( -0.350 -6.388 -1.278) 6.524 8.401 ( 2.419 -5.897 -0.837) 6.429 8.438 ( 5.143 -4.436 0.421) 6.805 9.338 ( -0.714 -1.333 6.592) 6.763 9.392 ( 0.568 0.056 0.798) 0.982 9.663 ( -3.238 -5.577 8.780) 10.893 9.976 ( 2.462 -1.066 -0.301) 2.700 10.026 ( 1.083 6.628 3.222) 7.449 10.113 ( 4.587 -0.072 0.898) 4.674 10.429 ( -1.416 2.429 -6.617) 7.190 10.583 ( 3.931 -8.127 -13.916) 16.588 10.816 ( -0.451 3.520 -0.461) 3.579 10.976 ( -3.461 -0.686 11.126) 11.672 11.107 ( 2.968 -1.001 -11.581) 11.997 11.250 ( 4.630 1.811 -4.669) 6.820 11.956 ( -16.679 9.313 0.219) 19.105 12.312 ( 5.044 2.770 1.532) 5.955 12.652 ( -8.337 -0.319 -0.816) 8.383 12.846 ( 2.513 -5.419 1.822) 6.245 13.231 ( -11.140 0.856 9.140) 14.435 13.825 ( 13.330 2.032 -4.726) 14.288 15.355 ( 3.850 5.955 8.280) 10.901 15.551 ( 5.052 11.525 -10.137) 16.159 16.673 ( -6.323 2.663 2.627) 7.347 16.794 ( -1.094 2.980 -1.982) 3.743 ======================= Grid point 459 (230/282) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -2.900 4.502 9.748) 11.122 2.667 ( 3.706 3.489 -4.114) 6.545 2.745 ( 5.228 2.019 -7.036) 8.995 2.960 ( 0.584 -2.195 1.917) 2.972 3.082 ( 4.089 0.013 -2.614) 4.853 3.157 ( 5.128 1.438 -8.737) 10.232 3.633 ( -4.651 5.123 8.413) 10.893 3.678 ( -1.747 -4.267 0.013) 4.611 3.886 ( -9.198 3.587 -0.593) 9.890 4.093 ( -0.204 2.782 9.457) 9.860 4.381 ( 6.055 -3.513 -4.599) 8.376 4.481 ( 5.081 9.301 16.382) 19.511 4.693 ( 10.641 2.189 -2.280) 11.100 4.897 ( 10.980 0.206 -17.878) 20.981 5.147 ( -1.214 -6.635 4.557) 8.140 5.436 ( 7.275 -0.857 -4.188) 8.438 6.135 ( 4.737 8.985 1.053) 10.212 6.182 ( 5.689 5.709 -0.508) 8.075 7.232 ( -0.846 -4.451 0.203) 4.535 7.286 ( -1.932 -9.369 -2.975) 10.019 7.508 ( -7.394 0.246 -1.663) 7.583 7.710 ( -2.300 3.945 0.564) 4.601 7.865 ( -4.094 -7.444 0.785) 8.532 7.938 ( -2.206 -5.071 -0.489) 5.551 8.524 ( 7.814 -6.992 -0.356) 10.492 8.586 ( 8.762 -4.716 1.327) 10.038 9.338 ( -2.833 0.448 -2.145) 3.582 9.377 ( -0.272 -0.866 -4.314) 4.408 9.763 ( -2.655 -7.848 10.400) 13.296 9.932 ( -0.207 4.858 -3.478) 5.978 10.089 ( 1.334 2.514 7.740) 8.246 10.183 ( 5.238 1.419 -8.879) 10.407 10.392 ( 3.280 -6.579 -10.025) 12.432 10.522 ( 0.508 4.240 1.622) 4.568 10.752 ( -7.125 5.164 4.787) 10.017 10.934 ( -1.950 2.617 3.335) 4.666 11.213 ( 8.334 -8.470 -3.443) 12.372 11.369 ( 9.842 3.880 5.815) 12.072 11.640 ( -14.650 7.723 1.088) 16.597 12.357 ( -0.824 1.271 3.023) 3.381 12.500 ( -8.011 1.695 -1.372) 8.303 12.848 ( -8.799 -2.897 1.757) 9.429 13.211 ( -0.552 -4.720 2.306) 5.282 13.926 ( 10.095 2.811 -7.886) 13.115 15.487 ( 10.078 7.105 -3.990) 12.960 15.518 ( 9.413 5.698 6.306) 12.682 16.547 ( -10.320 3.720 2.839) 11.331 16.734 ( -2.127 3.849 -0.294) 4.407 ======================= Grid point 464 (231/282) ======================= q-point: ( 0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -4.101 -0.000 9.605) 10.444 2.312 ( -4.253 -0.000 8.843) 9.813 2.651 ( -8.631 -0.000 8.296) 11.972 2.919 ( -6.474 -0.000 7.978) 10.274 2.966 ( 9.126 0.000 10.812) 14.149 3.247 ( 5.206 0.000 -14.681) 15.576 3.698 ( -5.321 -0.000 2.066) 5.708 3.838 ( 2.281 0.000 -2.061) 3.075 3.879 ( -1.836 -0.000 9.734) 9.906 3.975 ( 0.750 0.000 -9.613) 9.642 4.489 ( 0.079 0.000 2.939) 2.940 4.721 ( -7.570 -0.000 3.693) 8.423 4.941 ( -1.453 -0.000 -14.323) 14.396 4.948 ( -6.322 -0.000 3.791) 7.371 5.420 ( -8.868 -0.000 -6.459) 10.971 5.500 ( -2.210 -0.000 -5.312) 5.754 6.337 ( 2.540 0.000 5.154) 5.746 6.627 ( -0.844 -0.000 -1.062) 1.357 6.843 ( -2.385 -0.000 -3.240) 4.023 6.843 ( 0.077 0.000 -0.714) 0.718 7.531 ( 4.565 0.000 -2.168) 5.054 7.582 ( -2.404 -0.000 3.542) 4.281 7.768 ( 9.158 0.000 -2.200) 9.418 7.950 ( 5.138 0.000 -1.604) 5.383 8.246 ( -1.726 -0.000 2.500) 3.038 8.462 ( -8.971 -0.000 -2.890) 9.424 8.981 ( 0.572 0.000 7.429) 7.451 9.166 ( -0.427 -0.000 0.407) 0.589 9.596 ( 3.485 0.000 3.557) 4.980 9.725 ( -2.636 -0.000 -8.062) 8.482 9.892 ( 4.366 0.000 -6.051) 7.461 10.152 ( -2.706 -0.000 5.705) 6.315 10.549 ( 5.974 0.000 -7.631) 9.692 10.717 ( -12.071 -0.000 5.108) 13.107 11.101 ( -1.284 -0.000 -6.696) 6.818 11.168 ( 1.380 0.000 -5.954) 6.111 11.524 ( -6.837 -0.000 -16.117) 17.507 11.832 ( 0.660 0.000 3.946) 4.001 12.099 ( 6.087 0.000 -5.039) 7.902 12.274 ( 0.156 0.000 1.473) 1.481 12.425 ( 11.450 0.000 3.344) 11.928 12.627 ( -0.596 -0.000 -0.831) 1.023 13.315 ( 11.137 0.000 -4.553) 12.032 13.443 ( -8.742 -0.000 16.334) 18.526 15.446 ( -8.617 -0.000 10.460) 13.552 16.066 ( -3.732 -0.000 -7.313) 8.210 16.845 ( -0.624 -0.000 -0.738) 0.967 16.919 ( 9.794 0.000 -7.517) 12.346 ======================= Grid point 466 (232/282) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.894 7.920 15.903) 17.789 2.429 ( -1.305 -7.345 11.153) 13.418 2.606 ( -5.781 2.193 8.443) 10.465 2.883 ( -5.556 0.171 4.849) 7.376 3.177 ( 6.883 2.246 -1.961) 7.501 3.221 ( 6.412 -3.163 -3.613) 8.011 3.628 ( -5.506 -0.171 1.342) 5.670 3.749 ( 1.480 1.115 -15.135) 15.248 3.939 ( -2.857 -0.266 9.175) 9.614 3.984 ( 1.433 0.326 4.794) 5.015 4.506 ( -0.698 5.269 4.961) 7.271 4.614 ( -8.382 -0.352 -0.737) 8.421 4.782 ( -0.064 0.699 -13.806) 13.823 4.911 ( -4.854 -3.447 2.387) 6.415 5.237 ( -5.701 1.779 -5.377) 8.036 5.413 ( 1.156 3.103 -6.874) 7.630 6.390 ( 1.064 9.322 4.387) 10.357 6.678 ( 1.314 -13.485 2.029) 13.700 6.688 ( -0.899 14.520 -3.956) 15.076 6.916 ( -0.638 -13.131 -1.908) 13.284 7.584 ( -0.329 -1.498 2.154) 2.644 7.602 ( 2.316 -3.966 0.351) 4.606 7.863 ( 7.379 0.516 -4.364) 8.589 7.959 ( 0.107 1.545 -3.457) 3.788 8.252 ( -0.857 -1.514 1.572) 2.345 8.345 ( -4.051 -1.963 -2.490) 5.144 9.118 ( 4.104 -0.693 10.314) 11.123 9.192 ( 0.434 -0.458 4.795) 4.836 9.608 ( -1.999 3.086 -2.798) 4.621 9.693 ( 3.760 -1.999 1.279) 4.446 9.931 ( 3.762 -5.624 -3.317) 7.535 10.182 ( -2.342 -1.692 6.877) 7.459 10.496 ( 1.331 6.721 -7.716) 10.319 10.630 ( -6.581 -4.559 2.371) 8.350 11.013 ( -0.887 -0.177 -7.583) 7.637 11.099 ( -0.388 4.495 -7.115) 8.425 11.285 ( -2.567 1.006 -14.206) 14.471 11.704 ( -9.696 0.822 -11.007) 14.691 12.153 ( 5.338 0.874 2.652) 6.024 12.409 ( 8.620 0.764 3.386) 9.292 12.487 ( -1.484 -1.124 -2.149) 2.843 12.683 ( 3.959 -1.082 2.232) 4.672 13.429 ( -8.951 2.026 13.761) 16.540 13.489 ( 10.293 -1.187 -0.032) 10.362 15.423 ( -6.889 2.856 10.991) 13.282 15.946 ( -1.122 1.552 -8.444) 8.658 16.811 ( -1.471 1.242 -1.244) 2.292 16.939 ( 3.722 1.058 -7.826) 8.730 ======================= Grid point 467 (233/282) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.694 3.806 18.618) 19.078 2.545 ( 1.081 2.815 10.237) 10.672 2.656 ( 0.287 -1.935 10.662) 10.840 2.855 ( -1.581 -0.535 0.313) 1.699 3.152 ( 6.645 1.728 -14.785) 16.302 3.292 ( 1.662 -1.120 -6.602) 6.899 3.578 ( -3.235 -0.808 2.466) 4.147 3.673 ( 3.919 0.139 -5.702) 6.920 3.974 ( -5.601 0.062 11.311) 12.622 4.067 ( 2.471 0.639 6.083) 6.597 4.462 ( -7.144 1.079 -2.953) 7.805 4.494 ( -2.226 8.014 6.652) 10.650 4.672 ( 2.633 0.780 -10.812) 11.156 4.889 ( -1.648 -4.818 -3.791) 6.348 5.130 ( -2.440 1.943 -0.899) 3.246 5.371 ( 6.019 3.622 -7.404) 10.207 6.344 ( 0.709 13.154 3.206) 13.557 6.520 ( -0.148 14.867 -5.097) 15.717 6.860 ( 1.977 -16.796 3.130) 17.200 6.988 ( -0.305 -13.266 -2.476) 13.499 7.613 ( -1.650 -3.927 3.185) 5.319 7.683 ( 2.539 -6.446 -1.008) 7.001 7.876 ( -3.545 2.298 -3.579) 5.537 7.895 ( 3.396 1.662 -4.341) 5.757 8.280 ( 1.122 -3.376 -0.080) 3.559 8.310 ( -0.071 -2.628 -1.796) 3.184 9.234 ( 0.689 0.015 6.664) 6.699 9.300 ( 1.953 -3.070 6.435) 7.393 9.569 ( -1.690 -0.185 2.952) 3.406 9.789 ( 6.629 -3.787 -1.849) 7.855 10.007 ( 1.690 -3.815 1.678) 4.498 10.234 ( -2.216 2.877 9.954) 10.596 10.403 ( 3.963 0.569 -10.111) 10.875 10.585 ( -3.775 -2.053 -3.023) 5.254 10.936 ( -0.245 0.489 -6.158) 6.182 10.972 ( -0.857 7.788 -2.210) 8.141 11.179 ( 3.802 0.724 -9.338) 10.108 11.422 ( -9.412 -0.628 -13.449) 16.427 12.258 ( 4.943 1.934 3.110) 6.152 12.333 ( -8.791 3.799 -1.890) 9.761 12.625 ( 7.700 -3.310 3.443) 9.061 12.717 ( -2.369 -1.514 -0.183) 2.817 13.362 ( -14.184 1.223 12.940) 19.238 13.677 ( 14.185 0.823 -2.068) 14.358 15.414 ( -3.420 5.490 10.370) 12.222 15.836 ( 2.241 6.305 -9.716) 11.797 16.764 ( -2.799 1.452 0.471) 3.188 16.886 ( -0.131 0.950 -5.724) 5.804 ======================= Grid point 468 (234/282) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -5.294 2.220 14.847) 15.918 2.682 ( 6.869 6.145 8.921) 12.827 2.788 ( 2.256 -0.193 6.583) 6.962 2.841 ( -0.208 -1.153 -0.282) 1.205 3.091 ( 6.927 0.942 -14.404) 16.011 3.205 ( 1.371 -1.219 -13.186) 13.313 3.592 ( -0.749 -2.711 1.832) 3.357 3.705 ( 3.113 1.944 0.266) 3.680 4.002 ( -8.094 -0.149 15.615) 17.589 4.123 ( -0.144 2.499 0.325) 2.524 4.327 ( -2.021 -1.971 -6.880) 7.436 4.507 ( 1.080 10.293 13.568) 17.065 4.647 ( 5.692 1.201 -5.385) 7.927 4.866 ( 2.499 -4.539 -8.603) 10.043 5.100 ( -1.249 2.121 2.487) 3.499 5.393 ( 9.536 3.003 -7.557) 12.532 6.293 ( 1.921 12.078 2.488) 12.480 6.371 ( 1.556 12.975 -4.466) 13.810 7.022 ( 0.337 -13.914 1.030) 13.956 7.066 ( 0.703 -12.599 -2.229) 12.814 7.626 ( -5.783 -4.309 -0.199) 7.215 7.718 ( -1.562 -3.010 -1.152) 3.582 7.807 ( -0.864 -2.838 0.436) 2.998 7.869 ( -0.273 1.549 -2.619) 3.055 8.323 ( 2.427 -3.873 -1.012) 4.681 8.369 ( 5.210 -4.229 -0.368) 6.720 9.310 ( -0.604 -1.867 6.868) 7.143 9.359 ( -0.879 -3.621 -1.230) 3.924 9.600 ( -1.545 -2.524 5.424) 6.179 9.896 ( 6.522 -6.148 -6.917) 11.321 10.068 ( -0.026 1.393 6.813) 6.954 10.250 ( 1.842 11.534 8.744) 14.591 10.415 ( 2.082 -8.052 -13.422) 15.790 10.496 ( 2.903 1.361 -5.643) 6.490 10.879 ( 0.409 3.741 -1.762) 4.156 10.957 ( -1.250 -0.612 5.711) 5.878 11.124 ( -1.908 1.935 -10.455) 10.802 11.270 ( 6.194 0.608 -2.887) 6.861 12.083 ( -15.708 6.837 0.270) 17.134 12.348 ( 3.234 1.798 2.779) 4.627 12.641 ( -6.296 -0.893 -2.231) 6.739 12.764 ( 2.448 -4.792 1.574) 5.607 13.249 ( -13.256 1.200 9.617) 16.421 13.851 ( 13.266 1.346 -4.217) 13.985 15.452 ( 1.673 6.169 9.941) 11.819 15.728 ( 5.310 10.667 -10.068) 15.599 16.706 ( -5.878 1.572 2.760) 6.681 16.824 ( -1.163 0.919 -2.823) 3.189 ======================= Grid point 469 (235/282) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -5.278 2.490 12.557) 13.847 2.716 ( 2.442 3.008 -11.032) 11.693 2.799 ( 5.277 4.670 -2.617) 7.518 2.932 ( -0.641 -1.446 6.763) 6.946 3.083 ( 4.398 0.180 -4.328) 6.173 3.158 ( 6.147 -1.210 -8.285) 10.387 3.591 ( -3.203 -4.719 -2.399) 6.187 3.734 ( 2.258 5.209 3.307) 6.570 3.953 ( -10.497 4.752 4.226) 12.273 4.117 ( 0.206 0.970 7.734) 7.797 4.314 ( 4.084 -4.675 -6.195) 8.770 4.636 ( 4.843 8.439 15.411) 18.225 4.716 ( 8.294 0.561 -1.620) 8.470 4.879 ( 7.133 -2.104 -8.593) 11.364 5.099 ( -0.523 1.242 3.586) 3.831 5.451 ( 10.277 2.565 -7.952) 13.245 6.270 ( 3.274 6.853 0.248) 7.599 6.299 ( 4.597 11.743 -0.218) 12.613 7.102 ( -2.047 -13.618 -3.004) 14.095 7.149 ( 0.543 -7.727 -0.062) 7.747 7.499 ( -9.401 -1.337 -1.491) 9.612 7.725 ( -2.501 -4.101 0.925) 4.892 7.796 ( -3.338 1.180 0.994) 3.677 7.858 ( -0.786 -5.020 -0.894) 5.159 8.420 ( 6.953 -5.784 -0.863) 9.086 8.507 ( 7.708 -5.488 0.360) 9.469 9.318 ( -2.339 -2.931 -6.485) 7.491 9.353 ( -1.600 -1.437 1.304) 2.515 9.662 ( -1.571 -5.097 6.151) 8.141 9.935 ( 2.047 -4.388 -6.452) 8.067 10.124 ( -0.264 2.171 8.194) 8.481 10.278 ( 1.437 8.191 -4.028) 9.240 10.315 ( 7.454 -1.828 -14.739) 16.618 10.562 ( 3.165 1.046 6.895) 7.658 10.841 ( -2.142 5.814 2.826) 6.810 10.967 ( -2.378 1.255 2.088) 3.404 11.085 ( 7.355 -6.545 -4.512) 10.831 11.430 ( 10.783 3.899 7.572) 13.741 11.775 ( -17.402 8.671 2.415) 19.592 12.379 ( -2.047 1.446 3.271) 4.121 12.513 ( -6.788 -0.019 -2.640) 7.283 12.790 ( -5.165 -4.336 -0.006) 6.744 13.157 ( -7.009 -2.150 4.199) 8.449 13.963 ( 10.159 1.915 -7.555) 12.804 15.571 ( 6.957 4.927 8.921) 12.339 15.659 ( 8.467 10.568 -6.999) 15.243 16.600 ( -10.049 2.953 3.747) 11.124 16.783 ( -0.929 2.266 -0.346) 2.473 ======================= Grid point 470 (236/282) ======================= q-point: (-0.10 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -5.929 2.910 9.496) 11.567 2.606 ( 4.795 1.490 -17.146) 17.866 2.797 ( 2.314 2.331 -3.765) 4.996 2.903 ( -6.344 -1.786 -2.539) 7.063 3.118 ( 2.103 1.504 0.559) 2.645 3.221 ( 7.700 1.647 -3.213) 8.505 3.551 ( -3.854 -5.363 -0.591) 6.631 3.758 ( 0.236 7.873 6.905) 10.475 3.805 ( -5.022 3.372 0.164) 6.051 4.176 ( -0.949 1.586 4.709) 5.058 4.397 ( 5.173 -6.980 -1.203) 8.771 4.761 ( 3.723 8.106 8.379) 12.238 4.848 ( 10.596 -1.689 -2.662) 11.055 4.933 ( 7.818 4.311 -3.417) 9.560 5.185 ( 4.809 -4.010 7.017) 9.405 5.498 ( 8.221 1.120 -8.351) 11.772 6.298 ( 6.359 7.687 0.009) 9.976 6.321 ( 5.707 5.625 3.288) 8.661 7.109 ( -5.420 -12.242 -4.330) 14.071 7.191 ( -0.464 -3.446 -0.282) 3.489 7.374 ( -7.504 -2.331 0.545) 7.877 7.688 ( -4.691 1.408 1.318) 5.072 7.760 ( -3.873 -4.034 0.208) 5.596 7.859 ( -2.834 -3.747 -0.603) 4.737 8.590 ( 9.466 -8.632 -3.395) 13.253 8.706 ( 11.004 -7.585 1.996) 13.513 9.208 ( -3.522 -0.184 -9.791) 10.406 9.310 ( -2.265 -0.384 -4.223) 4.807 9.742 ( -0.938 -8.267 2.344) 8.644 9.867 ( -4.930 1.466 -6.169) 8.031 10.152 ( -3.127 2.050 -4.183) 5.611 10.216 ( 3.612 -0.603 2.848) 4.640 10.307 ( 8.365 3.072 -11.018) 14.171 10.709 ( 3.602 8.688 11.589) 14.925 10.800 ( -3.795 5.628 15.051) 16.510 11.009 ( 4.309 1.183 4.389) 6.264 11.223 ( 7.066 -6.851 -5.069) 11.070 11.508 ( -9.636 4.414 2.669) 10.930 11.647 ( 9.247 5.846 8.496) 13.851 12.281 ( -11.535 1.128 1.071) 11.639 12.448 ( -2.522 -0.281 3.799) 4.569 12.687 ( -8.816 -1.409 -1.452) 9.045 13.154 ( -0.868 -7.961 -1.911) 8.233 13.976 ( 5.873 2.511 -11.277) 12.960 15.660 ( 12.213 7.160 -6.851) 15.727 15.798 ( 9.476 1.787 11.893) 15.311 16.437 ( -12.643 4.211 4.924) 14.206 16.742 ( -0.782 5.057 0.067) 5.117 ======================= Grid point 476 (237/282) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -3.488 -0.000 15.047) 15.446 2.548 ( 1.874 0.000 16.577) 16.683 2.655 ( 2.114 -0.000 6.815) 7.136 2.850 ( -2.810 -0.000 2.016) 3.458 3.166 ( 6.849 -0.000 -15.760) 17.184 3.281 ( 1.614 -0.000 -5.544) 5.774 3.571 ( -3.641 -0.000 2.415) 4.369 3.674 ( 4.901 -0.000 -7.624) 9.064 3.975 ( -5.462 -0.000 11.237) 12.494 4.071 ( 2.332 -0.000 6.022) 6.458 4.462 ( -8.476 -0.000 -3.317) 9.102 4.567 ( -0.464 -0.000 5.161) 5.182 4.677 ( 2.751 -0.000 -10.982) 11.321 4.847 ( -2.492 -0.000 -1.760) 3.051 5.149 ( -2.624 -0.000 -0.438) 2.660 5.401 ( 5.411 -0.000 -7.700) 9.411 6.542 ( 1.850 0.000 7.129) 7.365 6.630 ( 1.214 -0.000 1.008) 1.578 6.736 ( 0.458 -0.000 -3.778) 3.806 6.786 ( -1.259 0.000 -4.243) 4.425 7.589 ( -1.138 -0.000 2.386) 2.644 7.622 ( 2.293 0.000 -0.215) 2.303 7.895 ( -4.059 0.000 -3.909) 5.635 7.909 ( 4.052 -0.000 -4.581) 6.116 8.252 ( 0.958 -0.000 0.096) 0.962 8.289 ( 0.403 -0.000 -1.962) 2.003 9.246 ( 0.257 -0.000 5.376) 5.382 9.261 ( 2.323 0.000 6.177) 6.600 9.572 ( -2.051 -0.000 1.253) 2.404 9.753 ( 6.543 -0.000 -2.745) 7.095 9.979 ( 4.209 0.000 3.413) 5.419 10.225 ( -0.348 0.000 7.269) 7.277 10.472 ( 2.573 0.000 -10.647) 10.954 10.536 ( -6.004 -0.000 4.121) 7.282 10.939 ( 0.187 -0.000 -5.543) 5.546 11.043 ( -0.815 0.000 -6.763) 6.812 11.186 ( 4.128 -0.000 -7.530) 8.588 11.411 ( -10.598 0.000 -13.869) 17.455 12.273 ( 5.137 -0.000 3.525) 6.230 12.364 ( -9.257 -0.000 -2.107) 9.493 12.597 ( 7.871 -0.000 3.807) 8.744 12.705 ( -1.699 -0.000 -0.746) 1.856 13.371 ( -14.236 -0.000 12.948) 19.243 13.684 ( 14.134 -0.000 -1.762) 14.243 15.460 ( -4.100 -0.000 11.289) 12.011 15.886 ( 3.120 0.000 -8.687) 9.230 16.777 ( -2.761 0.000 -0.171) 2.767 16.891 ( -0.411 -0.000 -6.402) 6.415 ======================= Grid point 478 (238/282) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -5.363 0.668 13.730) 14.756 2.745 ( 3.927 1.303 13.828) 14.434 2.787 ( 4.335 1.093 7.825) 9.012 2.836 ( 0.231 -0.234 -1.641) 1.674 3.102 ( 6.733 0.429 -16.144) 17.497 3.185 ( 0.851 -0.964 -13.999) 14.058 3.563 ( -0.969 -1.028 0.572) 1.524 3.724 ( 6.326 0.614 -1.975) 6.655 4.000 ( -9.097 -0.093 17.010) 19.290 4.151 ( 2.586 1.019 1.393) 3.109 4.303 ( -5.155 -0.879 -6.764) 8.550 4.604 ( -1.733 2.049 8.200) 8.628 4.672 ( 7.849 2.348 -4.026) 9.128 4.804 ( 0.177 -2.960 -4.923) 5.747 5.144 ( 0.514 2.276 3.302) 4.043 5.430 ( 9.176 1.346 -8.249) 12.412 6.510 ( 0.674 15.953 3.113) 16.268 6.597 ( 1.046 15.954 -3.985) 16.478 6.776 ( 0.069 -17.184 1.636) 17.262 6.846 ( 1.054 -15.796 -2.791) 16.075 7.580 ( -3.265 -1.112 -0.218) 3.456 7.660 ( 0.995 -3.176 -0.707) 3.403 7.788 ( -4.885 -0.103 -0.971) 4.981 7.897 ( -0.203 1.185 -2.656) 2.915 8.288 ( 3.424 -0.702 -0.654) 3.555 8.317 ( 4.352 -2.269 -1.256) 5.066 9.291 ( -0.538 -0.288 4.341) 4.383 9.308 ( -0.952 -2.457 0.162) 2.640 9.579 ( -0.866 -0.493 3.560) 3.697 9.824 ( 6.111 -2.729 -6.446) 9.292 10.089 ( 3.743 1.147 5.724) 6.935 10.295 ( 2.439 -4.832 -4.210) 6.857 10.406 ( 1.714 7.124 2.524) 7.749 10.513 ( -0.261 -0.734 -1.625) 1.802 10.913 ( 0.929 0.892 -1.002) 1.632 10.965 ( -1.446 0.939 -2.519) 3.053 11.147 ( -5.185 0.852 -11.275) 12.439 11.271 ( 9.259 -0.221 0.981) 9.313 12.157 ( -15.032 2.513 0.080) 15.241 12.366 ( 2.717 0.620 3.265) 4.292 12.630 ( -5.302 -0.461 -3.069) 6.144 12.710 ( 2.143 -1.979 1.534) 3.296 13.263 ( -14.047 0.542 9.808) 17.141 13.865 ( 13.115 0.462 -3.926) 13.697 15.525 ( 0.068 2.706 10.832) 11.165 15.851 ( 5.688 4.492 -9.350) 11.830 16.722 ( -5.550 0.531 2.245) 6.010 16.827 ( -1.321 -0.206 -3.177) 3.447 ======================= Grid point 479 (239/282) ======================= q-point: (-0.30 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -6.240 0.470 12.186) 13.699 2.764 ( 2.060 2.913 -10.845) 11.417 2.865 ( 3.814 3.267 -2.710) 5.706 2.917 ( -0.827 -0.556 9.550) 9.602 3.088 ( 5.102 0.528 -4.768) 7.003 3.129 ( 6.751 -2.120 -7.510) 10.318 3.528 ( -3.378 -3.115 -4.646) 6.535 3.796 ( 6.318 2.711 -0.702) 6.911 4.017 ( -11.311 3.140 15.212) 19.215 4.138 ( 1.065 2.035 0.180) 2.303 4.244 ( 2.415 -4.299 -6.469) 8.134 4.674 ( 1.996 -1.668 6.668) 7.158 4.743 ( 3.833 1.845 -0.530) 4.287 4.856 ( 9.119 -0.353 1.577) 9.261 5.170 ( 1.612 6.201 4.408) 7.777 5.492 ( 11.025 1.930 -8.698) 14.175 6.403 ( -0.081 11.021 -2.210) 11.241 6.505 ( 3.954 14.768 1.043) 15.324 6.868 ( -2.520 -16.156 -3.310) 16.683 6.987 ( 1.910 -13.487 0.843) 13.648 7.477 ( -8.849 -1.094 -1.720) 9.081 7.672 ( -1.015 -1.880 0.138) 2.141 7.773 ( -0.832 -4.144 0.764) 4.295 7.840 ( -3.569 1.842 -0.284) 4.027 8.360 ( 6.331 -1.769 -1.280) 6.697 8.424 ( 6.791 -4.890 -0.374) 8.377 9.274 ( -1.903 -2.200 -4.158) 5.075 9.333 ( -0.732 -1.229 2.397) 2.792 9.607 ( -0.826 -2.120 2.459) 3.350 9.853 ( 3.556 -4.909 -7.741) 9.832 10.149 ( 0.124 1.490 -0.933) 1.763 10.253 ( 3.308 -3.854 -11.553) 12.620 10.445 ( 4.847 9.053 -2.724) 10.624 10.572 ( 3.575 0.711 13.502) 13.985 10.916 ( 1.116 3.555 1.137) 3.896 10.961 ( -2.062 -1.757 4.774) 5.489 11.032 ( 4.064 -0.972 -7.723) 8.781 11.481 ( 11.756 2.461 8.606) 14.776 11.885 ( -17.968 5.173 3.025) 18.941 12.397 ( -2.642 0.798 2.999) 4.076 12.506 ( -6.409 -0.563 -3.686) 7.415 12.728 ( -2.240 -3.281 -1.204) 4.151 13.140 ( -11.256 -0.357 5.613) 12.583 13.985 ( 10.045 0.898 -7.419) 12.520 15.639 ( 4.459 3.499 10.287) 11.745 15.807 ( 7.051 7.759 -8.964) 13.794 16.634 ( -9.640 1.430 4.429) 10.705 16.801 ( 0.055 0.317 -0.146) 0.354 ======================= Grid point 480 (240/282) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -8.089 -0.264 9.600) 12.556 2.656 ( 4.275 3.971 -14.325) 15.468 2.827 ( 1.733 1.449 -7.227) 7.572 2.889 ( -8.117 -0.021 -1.232) 8.210 3.143 ( 3.648 1.780 2.472) 4.753 3.227 ( 8.519 -0.600 -3.882) 9.381 3.467 ( -3.897 -5.174 1.005) 6.555 3.854 ( 4.515 4.376 -1.022) 6.370 3.901 ( -5.139 8.211 2.045) 9.900 4.182 ( -1.389 -0.456 4.163) 4.412 4.289 ( 2.095 -6.849 0.688) 7.196 4.778 ( 5.257 -2.621 -4.156) 7.196 4.819 ( 5.218 -2.845 5.605) 8.169 5.051 ( 9.290 7.098 8.892) 14.688 5.188 ( 3.097 5.425 4.322) 7.596 5.542 ( 9.606 3.677 -9.838) 14.233 6.348 ( 2.210 3.034 -0.158) 3.757 6.489 ( 5.778 12.706 1.818) 14.076 6.895 ( -4.723 -14.955 -4.454) 16.303 7.103 ( 1.100 -8.817 0.468) 8.898 7.343 ( -8.134 -1.347 0.461) 8.257 7.667 ( -2.184 -1.991 0.249) 2.965 7.757 ( -5.340 1.749 1.749) 5.885 7.799 ( -1.074 -4.051 -0.978) 4.304 8.472 ( 7.114 -6.244 -4.550) 10.502 8.596 ( 9.404 -6.261 2.219) 11.513 9.206 ( -1.555 -0.162 -6.169) 6.364 9.312 ( -1.846 0.673 -3.520) 4.031 9.637 ( -1.159 -5.245 0.637) 5.409 9.845 ( -1.404 -3.474 -6.214) 7.256 10.080 ( 1.063 -5.636 -10.033) 11.557 10.292 ( 3.623 3.156 2.946) 5.636 10.380 ( 5.145 7.736 -10.042) 13.680 10.795 ( 4.245 2.315 19.829) 20.410 10.909 ( 0.302 7.494 3.919) 8.462 11.021 ( 3.931 0.297 4.663) 6.106 11.119 ( 8.239 -5.201 -2.385) 10.031 11.602 ( -14.222 6.312 4.893) 16.310 11.730 ( 8.482 4.652 9.049) 13.247 12.299 ( -11.552 0.980 0.561) 11.607 12.419 ( -4.248 -3.062 1.625) 5.483 12.675 ( -4.194 -0.164 -1.980) 4.641 13.057 ( -5.461 -4.577 0.027) 7.126 14.005 ( 5.691 1.258 -11.250) 12.670 15.768 ( 9.392 6.308 -5.906) 12.762 15.830 ( 6.579 2.242 8.533) 11.006 16.493 ( -12.857 2.950 5.882) 14.443 16.805 ( 1.114 2.955 0.646) 3.223 ======================= Grid point 481 (241/282) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -8.444 -1.125 7.499) 11.349 2.527 ( -1.623 3.081 -13.841) 14.272 2.702 ( -10.176 -0.103 -2.738) 10.539 2.792 ( 1.793 -1.410 -4.704) 5.228 3.197 ( 3.513 4.478 1.097) 5.797 3.274 ( 6.270 -1.244 -10.041) 11.903 3.529 ( -1.573 -2.473 11.607) 11.971 3.757 ( -4.720 4.508 0.025) 6.527 3.896 ( 2.431 7.358 2.596) 8.172 4.175 ( -1.242 -1.034 -1.488) 2.197 4.380 ( -0.932 -8.312 1.795) 8.554 4.853 ( 6.203 -2.814 -3.119) 7.492 4.975 ( 5.271 -2.442 3.947) 7.024 5.098 ( 1.421 12.899 6.297) 14.424 5.352 ( 8.938 -2.148 6.307) 11.148 5.528 ( 5.583 3.873 -10.207) 12.262 6.413 ( 3.730 -2.321 2.996) 5.317 6.516 ( 7.004 11.081 1.777) 13.229 6.870 ( -6.602 -12.640 -4.248) 14.880 7.161 ( 0.603 -2.805 -0.950) 3.022 7.282 ( -3.137 -3.012 2.637) 5.086 7.628 ( -3.765 0.400 -0.053) 3.786 7.697 ( -2.777 -0.447 0.578) 2.872 7.789 ( -2.315 -2.047 -0.590) 3.146 8.566 ( 4.739 -10.101 -8.034) 13.749 8.845 ( 11.496 -8.388 2.552) 14.457 9.095 ( -2.329 4.141 -7.221) 8.643 9.218 ( -3.491 0.008 -5.177) 6.244 9.643 ( -0.816 -6.039 -7.195) 9.429 9.757 ( -5.676 0.539 2.256) 6.131 10.091 ( 1.884 -2.317 -4.941) 5.773 10.215 ( 2.476 5.203 -11.893) 13.215 10.446 ( 6.039 1.285 6.747) 9.146 10.871 ( -3.641 11.298 7.892) 14.254 11.037 ( 6.298 0.988 14.677) 16.001 11.144 ( 3.757 1.638 6.741) 7.889 11.276 ( 10.034 -1.103 0.116) 10.095 11.449 ( -3.870 0.959 2.788) 4.865 11.852 ( 2.249 2.769 1.420) 3.840 12.095 ( -13.717 0.999 2.073) 13.909 12.459 ( -1.214 -4.211 8.899) 9.919 12.577 ( -3.636 3.885 -1.828) 5.627 13.035 ( -2.014 -8.471 -3.980) 9.573 13.924 ( 1.900 1.635 -14.131) 14.351 15.792 ( 6.572 3.380 -6.180) 9.634 16.042 ( 8.256 -0.964 9.722) 12.791 16.340 ( -10.832 3.025 6.903) 13.196 16.790 ( 1.546 6.046 -0.847) 6.297 ======================= Grid point 488 (242/282) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -6.377 -0.000 11.442) 13.100 2.789 ( 1.400 0.000 -9.229) 9.335 2.892 ( 3.654 0.000 -4.336) 5.670 2.912 ( -1.056 -0.000 10.518) 10.570 3.099 ( 7.500 0.000 -4.254) 8.623 3.105 ( 5.130 0.000 -7.010) 8.687 3.503 ( -3.502 -0.000 -5.761) 6.742 3.817 ( 7.764 0.000 -2.203) 8.071 4.042 ( -11.443 -0.000 22.681) 25.404 4.178 ( 0.007 0.000 -7.721) 7.721 4.187 ( 3.153 0.000 -4.728) 5.682 4.656 ( 0.749 0.000 6.051) 6.097 4.752 ( 1.142 0.000 -4.028) 4.187 4.858 ( 11.203 0.000 5.667) 12.555 5.228 ( 2.874 0.000 5.467) 6.177 5.504 ( 10.658 0.000 -8.610) 13.701 6.586 ( -3.370 -0.000 -6.441) 7.269 6.638 ( -1.420 -0.000 0.997) 1.735 6.741 ( 3.059 0.000 1.330) 3.336 6.764 ( 3.316 0.000 0.289) 3.329 7.469 ( -8.028 -0.000 -2.225) 8.331 7.660 ( 0.815 0.000 -0.412) 0.913 7.736 ( -2.004 -0.000 1.068) 2.271 7.856 ( -3.946 -0.000 -0.034) 3.946 8.363 ( 5.473 0.000 -2.808) 6.151 8.369 ( 7.024 0.000 0.779) 7.067 9.257 ( -2.043 -0.000 -2.110) 2.937 9.322 ( 0.377 0.000 1.705) 1.747 9.592 ( -0.313 -0.000 0.733) 0.797 9.811 ( 3.162 0.000 -7.381) 8.030 10.175 ( 0.913 0.000 -17.597) 17.621 10.204 ( 4.115 0.000 3.103) 5.154 10.523 ( 4.544 0.000 -4.380) 6.311 10.579 ( 2.575 0.000 17.028) 17.221 10.937 ( -1.375 -0.000 3.397) 3.664 10.949 ( 1.832 0.000 2.662) 3.231 11.027 ( 2.526 0.000 -8.127) 8.510 11.501 ( 12.192 0.000 8.985) 15.145 11.925 ( -18.010 -0.000 3.142) 18.282 12.403 ( -3.049 -0.000 2.794) 4.136 12.501 ( -6.294 -0.000 -4.110) 7.517 12.701 ( -1.131 -0.000 -1.526) 1.899 13.139 ( -12.531 -0.000 6.049) 13.914 13.991 ( 9.974 0.000 -7.385) 12.410 15.668 ( 3.425 0.000 10.595) 11.135 15.871 ( 6.418 0.000 -9.618) 11.563 16.645 ( -9.425 -0.000 4.694) 10.529 16.802 ( 0.459 0.000 0.025) 0.460 ======================= Grid point 489 (243/282) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -7.930 -0.344 8.497) 11.628 2.702 ( 2.530 1.631 -12.210) 12.576 2.845 ( 0.954 0.846 -8.341) 8.438 2.892 ( -8.451 0.058 -0.087) 8.452 3.169 ( 6.080 1.354 0.480) 6.248 3.214 ( 7.735 -0.729 -3.193) 8.400 3.403 ( -4.301 -2.523 2.570) 5.609 3.907 ( 7.536 2.131 -2.716) 8.289 4.011 ( -3.983 5.177 0.522) 6.552 4.169 ( -0.723 -1.070 -1.708) 2.142 4.197 ( -2.251 -4.179 7.522) 8.894 4.751 ( 3.478 -0.400 -0.649) 3.560 4.771 ( 3.979 -2.635 4.471) 6.539 5.100 ( 12.197 0.945 6.685) 13.941 5.307 ( 2.095 6.163 6.348) 9.092 5.580 ( 9.840 0.813 -8.047) 12.738 6.427 ( -2.257 6.995 -4.334) 8.533 6.658 ( -2.569 -6.209 -0.580) 6.744 6.714 ( 3.653 8.252 -0.175) 9.026 6.924 ( 2.521 -13.664 1.311) 13.956 7.333 ( -7.420 -0.123 -0.029) 7.422 7.661 ( -0.118 0.852 -0.153) 0.873 7.736 ( -0.672 -3.075 -0.103) 3.149 7.782 ( -5.835 0.788 1.160) 6.001 8.407 ( 4.713 -2.100 -5.332) 7.420 8.526 ( 9.436 -2.479 2.837) 10.161 9.202 ( -1.993 -0.218 -2.831) 3.469 9.326 ( 0.620 0.818 -3.686) 3.827 9.583 ( -1.371 -1.727 -0.892) 2.378 9.791 ( 1.356 -2.477 -5.727) 6.385 10.024 ( 2.001 -1.677 -15.331) 15.552 10.294 ( 4.891 -0.842 1.672) 5.237 10.506 ( 3.964 5.814 -9.140) 11.535 10.800 ( 1.745 -0.810 18.067) 18.169 10.998 ( 3.225 3.543 4.637) 6.667 11.020 ( 2.026 -0.286 8.937) 9.168 11.069 ( 9.428 -1.595 -2.894) 9.990 11.675 ( -15.286 2.643 5.846) 16.578 11.781 ( 8.110 1.822 9.474) 12.604 12.308 ( -11.253 0.194 0.518) 11.266 12.377 ( -6.322 -1.696 -0.370) 6.556 12.676 ( 0.477 0.085 -2.635) 2.679 13.013 ( -9.048 -1.311 1.711) 9.301 14.017 ( 5.549 0.354 -11.307) 12.600 15.833 ( 6.268 1.870 7.052) 9.618 15.863 ( 5.649 1.758 -6.262) 8.615 16.525 ( -12.918 1.047 6.476) 14.488 16.833 ( 2.450 0.808 1.244) 2.864 ======================= Grid point 490 (244/282) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -9.171 -0.638 7.678) 11.978 2.559 ( -10.311 0.863 -9.585) 14.104 2.717 ( -4.973 1.868 -3.840) 6.555 2.778 ( 1.317 -0.487 -7.088) 7.226 3.235 ( 5.637 -2.194 -10.709) 12.300 3.253 ( 5.088 1.991 0.009) 5.464 3.497 ( -1.611 -1.572 16.415) 16.569 3.855 ( -2.681 7.601 -4.208) 9.092 4.000 ( 5.992 5.163 -1.555) 8.061 4.131 ( -1.168 -4.086 -5.663) 7.080 4.263 ( -7.013 -6.468 9.767) 13.653 4.807 ( 4.130 -2.295 -1.006) 4.831 4.920 ( 4.954 -3.317 4.559) 7.506 5.307 ( 3.212 9.614 7.752) 12.761 5.327 ( 7.128 1.484 0.374) 7.291 5.612 ( 5.809 5.153 -5.406) 9.461 6.364 ( -0.370 -2.662 -0.834) 2.814 6.647 ( -3.096 -4.466 -0.863) 5.502 6.727 ( 4.553 5.228 0.452) 6.947 7.064 ( 2.946 -9.399 0.640) 9.871 7.261 ( -3.142 -0.099 2.011) 3.731 7.641 ( -1.357 1.625 0.010) 2.117 7.703 ( -3.767 0.732 0.845) 3.929 7.750 ( -0.257 -2.961 -1.008) 3.138 8.440 ( 4.048 -5.903 -7.264) 10.198 8.740 ( 9.953 -4.924 3.846) 11.752 9.140 ( -2.682 1.396 -2.730) 4.074 9.232 ( -2.618 1.778 -8.828) 9.378 9.565 ( -2.400 -3.560 -1.190) 4.455 9.761 ( -2.109 -0.307 -0.927) 2.325 10.010 ( 8.317 -4.698 -9.773) 13.666 10.355 ( -0.850 8.410 -7.935) 11.594 10.435 ( 8.818 -1.123 -1.578) 9.028 10.947 ( -2.234 -1.147 9.775) 10.092 11.076 ( 5.130 4.083 4.602) 8.011 11.167 ( 5.558 1.149 7.559) 9.452 11.273 ( 11.370 0.756 9.256) 14.681 11.489 ( -11.193 2.986 5.745) 12.931 11.880 ( -2.723 1.070 -0.704) 3.010 12.111 ( -12.388 0.638 0.339) 12.409 12.394 ( 0.523 -3.118 9.845) 10.340 12.643 ( -0.494 3.732 -1.460) 4.038 12.932 ( -4.292 -4.873 -2.039) 6.806 13.940 ( 1.733 0.558 -14.246) 14.362 15.836 ( 4.087 2.148 -7.400) 8.722 16.032 ( 7.080 -0.416 9.138) 11.568 16.377 ( -12.411 1.680 6.506) 14.113 16.863 ( 2.342 3.193 -0.624) 4.009 ======================= Grid point 491 (245/282) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -19.938 -3.031 -5.249) 20.839 2.424 ( -13.340 -1.622 12.039) 18.042 2.638 ( 3.148 3.562 -6.246) 7.849 2.782 ( 3.269 -1.660 -2.116) 4.233 3.220 ( 4.133 -3.744 -11.650) 12.916 3.290 ( 2.208 5.256 0.354) 5.712 3.641 ( -2.108 -0.225 16.463) 16.599 3.725 ( -3.417 4.732 -1.219) 5.963 3.972 ( -4.706 6.284 2.458) 8.226 4.117 ( 3.922 -4.023 -8.096) 9.854 4.272 ( -8.053 -8.332 4.467) 12.419 4.873 ( 2.197 -3.768 -1.532) 4.623 5.041 ( 3.099 -3.387 1.794) 4.929 5.274 ( -0.811 13.650 7.154) 15.433 5.409 ( 4.461 -4.110 -11.253) 12.784 5.605 ( 2.432 7.854 3.047) 8.768 6.407 ( -1.309 -9.072 0.213) 9.168 6.614 ( -5.481 -6.033 -0.797) 8.190 6.782 ( 7.353 7.967 2.180) 11.059 7.158 ( 3.267 -1.981 -0.988) 3.946 7.292 ( 3.024 -2.411 3.144) 4.984 7.598 ( -0.630 1.961 -0.864) 2.233 7.687 ( 1.064 0.912 0.287) 1.430 7.755 ( -0.185 -0.668 0.096) 0.699 8.483 ( 3.880 -6.180 -6.345) 9.670 8.942 ( 4.197 -3.890 0.739) 5.770 9.026 ( -1.919 0.170 -4.226) 4.645 9.112 ( -5.055 0.023 -2.483) 5.632 9.544 ( -1.040 -3.089 -2.129) 3.893 9.731 ( -2.979 0.591 2.931) 4.220 10.092 ( 7.917 -0.537 -6.637) 10.345 10.155 ( -1.606 6.975 -11.041) 13.157 10.620 ( 11.276 -1.313 2.090) 11.543 10.949 ( -4.586 5.721 6.461) 9.773 11.143 ( -3.806 -0.721 5.805) 6.979 11.275 ( 5.278 1.952 1.455) 5.812 11.459 ( 3.187 -2.238 0.992) 4.019 11.523 ( 8.212 3.604 7.661) 11.795 11.729 ( -10.669 -3.182 0.313) 11.138 11.994 ( -3.498 0.435 1.731) 3.927 12.522 ( 1.580 0.134 1.303) 2.052 12.605 ( -0.390 4.583 6.678) 8.109 12.919 ( -1.791 -6.206 0.826) 6.512 13.796 ( -0.550 0.734 -15.138) 15.166 15.771 ( -5.640 1.248 -2.331) 6.229 16.229 ( 7.550 -1.058 4.001) 8.609 16.303 ( -2.356 -1.266 6.338) 6.879 16.831 ( 0.743 4.218 -4.656) 6.326 ======================= Grid point 499 (246/282) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -9.994 -0.000 8.978) 13.435 2.563 ( -12.629 -0.000 -9.280) 15.672 2.737 ( -2.038 -0.000 -4.476) 4.918 2.775 ( -0.298 -0.000 -7.436) 7.442 3.211 ( 5.826 0.000 -13.235) 14.460 3.273 ( 5.369 0.000 1.116) 5.484 3.484 ( -1.629 -0.000 18.387) 18.459 3.955 ( -1.161 -0.000 -7.396) 7.487 4.000 ( 6.158 0.000 -4.314) 7.519 4.110 ( 3.460 0.000 -9.281) 9.905 4.201 ( -13.412 -0.000 17.738) 22.237 4.790 ( 2.591 0.000 0.498) 2.639 4.892 ( 5.446 0.000 4.797) 7.257 5.314 ( 10.721 0.000 -1.756) 10.864 5.420 ( -0.014 -0.000 7.281) 7.281 5.652 ( 6.065 0.000 -2.072) 6.409 6.349 ( -3.253 -0.000 -5.587) 6.465 6.560 ( -4.327 -0.000 0.895) 4.419 6.889 ( 4.940 0.000 0.589) 4.975 6.902 ( 5.711 0.000 2.342) 6.173 7.262 ( -2.839 -0.000 1.788) 3.355 7.665 ( -1.432 -0.000 0.850) 1.665 7.712 ( 0.393 0.000 -1.200) 1.263 7.713 ( -2.987 -0.000 0.102) 2.989 8.393 ( 3.664 0.000 -6.937) 7.845 8.701 ( 9.234 0.000 4.313) 10.192 9.148 ( -2.730 -0.000 -0.917) 2.880 9.251 ( -2.289 -0.000 -10.934) 11.171 9.538 ( -3.706 -0.000 1.987) 4.205 9.755 ( 0.021 0.000 -2.297) 2.297 9.975 ( 10.244 0.000 -11.621) 15.492 10.388 ( 5.640 0.000 -0.597) 5.671 10.465 ( 3.026 0.000 -11.584) 11.973 10.922 ( -2.251 -0.000 10.162) 10.409 11.113 ( 5.155 0.000 2.723) 5.830 11.176 ( 5.974 0.000 7.853) 9.867 11.282 ( 11.122 0.000 12.050) 16.398 11.515 ( -13.471 -0.000 6.818) 15.098 11.888 ( -4.671 -0.000 -1.462) 4.894 12.114 ( -12.248 -0.000 -0.793) 12.274 12.371 ( 1.893 0.000 11.286) 11.443 12.675 ( 1.700 0.000 -2.513) 3.034 12.892 ( -6.146 -0.000 -0.629) 6.178 13.944 ( 1.667 0.000 -14.326) 14.423 15.853 ( 2.955 0.000 -7.911) 8.445 16.029 ( 6.627 0.000 8.915) 11.109 16.390 ( -12.939 -0.000 6.314) 14.397 16.887 ( 2.651 0.000 -0.481) 2.694 ======================= Grid point 500 (247/282) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -22.800 -1.120 -4.408) 23.250 2.409 ( -14.467 -0.474 12.996) 19.452 2.693 ( 1.983 2.967 -6.243) 7.191 2.754 ( 4.945 -1.791 -3.039) 6.075 3.168 ( 3.163 -2.179 -11.246) 11.884 3.345 ( 2.910 1.771 1.499) 3.722 3.638 ( -2.624 -0.128 18.333) 18.520 3.822 ( -1.716 6.695 -7.427) 10.146 3.999 ( -2.064 -5.514 -7.486) 9.524 4.086 ( -6.381 3.815 6.217) 9.691 4.169 ( -2.876 -5.147 2.209) 6.296 4.827 ( 0.499 -1.712 0.353) 1.818 5.004 ( 3.649 -1.248 1.984) 4.337 5.368 ( 5.685 -1.194 -12.941) 14.185 5.448 ( -1.313 6.836 6.315) 9.399 5.710 ( 0.912 4.540 4.946) 6.776 6.283 ( -2.035 -5.321 -2.966) 6.423 6.507 ( -6.862 -4.835 1.019) 8.457 6.934 ( 8.504 9.885 1.930) 13.182 7.080 ( 6.880 -7.457 1.120) 10.208 7.278 ( 1.971 -0.019 2.501) 3.184 7.625 ( -1.797 1.086 -0.172) 2.107 7.707 ( 2.394 1.625 -0.352) 2.915 7.735 ( 1.893 -1.708 -0.168) 2.555 8.412 ( 5.538 -2.567 -4.755) 7.738 8.874 ( 6.093 -2.858 4.316) 7.995 9.064 ( -5.652 2.888 -6.551) 9.122 9.103 ( -4.527 -1.249 -2.131) 5.157 9.509 ( -3.395 -1.148 2.295) 4.256 9.733 ( -3.025 -0.397 1.638) 3.463 10.074 ( 14.873 -0.131 -10.328) 18.108 10.275 ( -3.098 5.030 -11.441) 12.876 10.584 ( 14.914 -1.653 -2.567) 15.224 10.942 ( -7.090 -3.278 5.343) 9.464 11.188 ( -1.325 3.713 6.529) 7.628 11.315 ( 5.096 2.052 1.889) 5.809 11.433 ( -1.557 -1.017 1.581) 2.441 11.553 ( 6.925 0.289 11.270) 13.231 11.694 ( -13.861 -1.132 -2.947) 14.216 12.000 ( -1.947 0.265 3.996) 4.453 12.529 ( 3.374 0.462 3.489) 4.876 12.662 ( 0.143 2.222 -0.196) 2.235 12.851 ( -2.309 -2.406 6.496) 7.302 13.801 ( -0.650 0.088 -15.496) 15.510 15.784 ( -5.334 0.414 -3.291) 6.281 16.215 ( 7.197 -0.575 6.708) 9.855 16.291 ( -4.689 -0.374 3.179) 5.678 16.875 ( -0.382 1.437 -5.280) 5.486 ======================= Grid point 501 (248/282) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -22.217 -4.139 4.685) 23.080 2.309 ( -17.341 -1.790 15.520) 23.341 2.672 ( 3.464 1.761 -2.368) 4.550 2.837 ( 5.110 0.167 1.381) 5.296 3.127 ( 2.432 -4.575 -10.108) 11.358 3.345 ( 0.253 5.562 -1.420) 5.746 3.691 ( -2.250 3.293 -3.816) 5.520 3.758 ( -6.450 -0.235 19.369) 20.416 3.876 ( -13.346 0.746 5.193) 14.340 4.009 ( -8.591 -8.711 -0.715) 12.255 4.209 ( 6.165 0.272 -5.535) 8.290 4.830 ( -1.015 -3.165 -3.025) 4.494 5.054 ( 0.931 -1.969 -1.422) 2.601 5.290 ( 1.325 -2.593 -14.756) 15.041 5.410 ( -1.699 10.420 4.972) 11.669 5.686 ( -3.562 6.430 2.452) 7.749 6.281 ( -2.950 -8.184 -2.423) 9.030 6.443 ( -8.833 -8.019 0.405) 11.937 7.024 ( 9.596 10.251 2.960) 14.350 7.220 ( 6.634 0.012 -0.618) 6.662 7.371 ( 6.169 -2.731 1.293) 6.870 7.619 ( 2.979 0.560 -0.906) 3.163 7.742 ( 3.566 2.081 0.349) 4.143 7.785 ( 3.106 0.492 1.800) 3.624 8.506 ( 6.652 -0.680 0.878) 6.744 8.889 ( -5.618 2.252 -3.727) 7.109 9.009 ( -3.256 -0.511 0.183) 3.301 9.016 ( -2.852 -3.634 3.991) 6.105 9.511 ( -0.288 -2.561 1.504) 2.984 9.699 ( -4.545 -1.604 2.919) 5.635 10.060 ( -3.241 5.983 -9.957) 12.060 10.206 ( 14.488 3.282 -8.992) 17.365 10.794 ( 6.419 -3.230 -2.534) 7.620 10.886 ( -1.556 -3.930 -1.005) 4.345 11.140 ( -8.940 7.483 11.365) 16.281 11.319 ( -2.260 -2.047 -6.214) 6.922 11.403 ( -3.140 -1.148 -4.159) 5.336 11.564 ( 4.243 0.329 -1.445) 4.494 11.729 ( 2.306 -5.280 3.260) 6.620 12.123 ( 9.071 5.802 9.508) 14.365 12.509 ( 0.092 -0.900 -5.272) 5.349 12.643 ( -1.856 0.824 -0.499) 2.091 12.979 ( 0.447 0.446 16.182) 16.195 13.637 ( -1.522 -0.348 -13.500) 13.590 15.620 ( -13.309 0.391 0.930) 13.347 16.303 ( 4.391 0.238 -0.878) 4.484 16.407 ( 7.218 -3.345 4.932) 9.360 16.747 ( -4.596 -0.262 -10.859) 11.795 ======================= Grid point 510 (249/282) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -23.327 -0.000 5.120) 23.882 2.297 ( -18.243 -0.000 16.068) 24.310 2.688 ( 2.394 0.000 -2.600) 3.534 2.837 ( 6.388 0.000 1.552) 6.573 3.089 ( 1.457 0.000 -9.597) 9.707 3.390 ( 0.681 0.000 0.096) 0.688 3.736 ( -1.027 -0.000 -10.042) 10.094 3.757 ( -7.695 -0.000 19.182) 20.668 3.870 ( -3.512 -0.000 -4.870) 6.004 3.928 ( -24.032 -0.000 17.677) 29.833 4.216 ( 10.702 0.000 -9.828) 14.530 4.803 ( -1.387 -0.000 -2.249) 2.642 5.040 ( 1.119 0.000 -1.489) 1.863 5.269 ( 1.895 0.000 -15.752) 15.865 5.500 ( -1.886 -0.000 3.985) 4.409 5.746 ( -4.962 -0.000 3.694) 6.186 6.211 ( -1.402 -0.000 -1.785) 2.270 6.368 ( -9.646 -0.000 0.024) 9.646 7.141 ( 9.664 0.000 1.224) 9.741 7.184 ( 9.231 0.000 1.612) 9.370 7.351 ( 4.790 0.000 1.145) 4.924 7.624 ( 2.090 0.000 -1.084) 2.354 7.759 ( 3.962 0.000 0.152) 3.965 7.788 ( 3.961 0.000 1.862) 4.377 8.497 ( 8.868 0.000 1.793) 9.048 8.914 ( -6.237 -0.000 -5.257) 8.157 8.969 ( 1.687 0.000 5.352) 5.612 9.017 ( -7.867 -0.000 2.221) 8.175 9.490 ( -1.129 -0.000 2.553) 2.792 9.683 ( -5.700 -0.000 2.680) 6.298 10.130 ( -3.192 -0.000 -11.141) 11.590 10.221 ( 16.770 0.000 -11.243) 20.191 10.783 ( -13.506 -0.000 -0.078) 13.507 10.820 ( 19.781 0.000 -3.470) 20.083 11.205 ( -9.249 -0.000 11.884) 15.059 11.321 ( -12.847 -0.000 -5.878) 14.128 11.381 ( 4.247 0.000 -5.348) 6.829 11.577 ( 6.983 0.000 -2.994) 7.598 11.678 ( -0.151 -0.000 6.164) 6.165 12.175 ( 10.894 0.000 11.100) 15.553 12.495 ( -1.320 -0.000 -9.278) 9.371 12.650 ( -1.686 -0.000 -0.406) 1.734 12.987 ( 0.594 0.000 19.171) 19.180 13.633 ( -1.628 -0.000 -14.349) 14.441 15.623 ( -13.392 -0.000 0.422) 13.398 16.305 ( 5.098 0.000 -0.567) 5.130 16.380 ( 6.996 0.000 4.856) 8.516 16.744 ( -6.818 -0.000 -11.745) 13.581 ======================= Grid point 511 (250/282) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -16.755 -2.645 17.592) 24.438 2.190 ( -17.806 -1.470 18.316) 25.587 2.718 ( 1.780 0.173 2.041) 2.713 2.933 ( 2.564 0.798 1.375) 3.017 3.056 ( 3.771 -2.931 -4.295) 6.423 3.356 ( -0.683 4.327 -3.795) 5.795 3.595 ( -8.380 -1.051 -2.902) 8.930 3.697 ( -19.935 -0.444 17.569) 26.576 3.795 ( -5.828 -4.777 -1.063) 7.610 3.878 ( -5.197 -0.329 13.540) 14.507 4.259 ( 8.311 1.377 -10.249) 13.267 4.747 ( -1.064 -1.586 -6.213) 6.500 5.008 ( -1.204 -0.838 -5.339) 5.537 5.148 ( 1.526 -1.417 -14.208) 14.360 5.476 ( -2.182 5.388 2.262) 6.237 5.640 ( -7.444 3.582 -1.780) 8.451 6.170 ( -4.129 -1.350 -2.272) 4.902 6.238 ( -9.040 -7.440 -0.604) 11.723 7.260 ( 8.820 7.344 1.330) 11.554 7.330 ( 7.871 1.138 -1.488) 8.091 7.448 ( 6.444 -3.224 -0.896) 7.261 7.663 ( 3.648 -1.100 -1.152) 3.980 7.830 ( 4.388 2.190 2.019) 5.303 7.874 ( 4.344 0.301 2.890) 5.226 8.667 ( 2.864 4.194 7.148) 8.768 8.807 ( 1.218 -1.118 -0.968) 1.916 8.883 ( -11.440 0.820 1.632) 11.585 9.042 ( -0.659 -1.910 6.076) 6.403 9.532 ( 2.329 -0.457 2.647) 3.555 9.643 ( -3.932 -3.668 3.910) 6.649 9.962 ( -4.500 5.285 -6.468) 9.488 10.338 ( 11.684 -2.467 -12.747) 17.466 10.592 ( -8.342 -2.012 -2.751) 9.012 10.949 ( -9.703 2.052 0.534) 9.932 11.176 ( -2.953 1.652 2.839) 4.417 11.209 ( 11.998 -0.796 -1.355) 12.101 11.364 ( 3.444 -1.874 -8.902) 9.727 11.631 ( 5.368 4.050 -7.787) 10.289 11.711 ( -0.604 -4.035 -2.276) 4.672 12.363 ( 3.911 5.908 -0.033) 7.085 12.468 ( 2.205 -6.095 2.597) 6.982 12.634 ( 3.356 1.362 1.509) 3.924 13.161 ( -1.667 2.343 17.806) 18.037 13.490 ( -1.560 -1.566 -9.743) 9.991 15.416 ( -14.073 -0.332 1.462) 14.152 16.365 ( -1.285 6.480 -6.955) 9.592 16.484 ( -1.988 -8.072 -10.430) 13.338 16.532 ( 4.103 -2.282 2.655) 5.393 ======================= Grid point 521 (251/282) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -7.412 -0.000 25.226) 26.293 2.121 ( -14.904 -0.000 20.372) 25.241 2.766 ( 0.251 0.000 3.988) 3.995 2.926 ( 0.744 0.000 -3.340) 3.422 3.140 ( 5.770 0.000 3.075) 6.538 3.308 ( -0.518 -0.000 -7.439) 7.457 3.420 ( -16.440 -0.000 11.373) 19.990 3.589 ( -8.746 -0.000 6.950) 11.171 3.703 ( -5.563 -0.000 3.097) 6.367 3.932 ( -6.594 -0.000 14.465) 15.897 4.267 ( 5.573 0.000 -10.701) 12.065 4.661 ( 0.853 0.000 -9.298) 9.337 4.901 ( -3.213 -0.000 -8.982) 9.539 5.046 ( 4.304 0.000 -14.568) 15.191 5.476 ( -2.480 -0.000 0.990) 2.671 5.511 ( -5.723 -0.000 -4.883) 7.523 6.033 ( -9.669 -0.000 -0.464) 9.681 6.109 ( -3.046 -0.000 -2.899) 4.205 7.406 ( 5.826 0.000 -1.072) 5.924 7.426 ( 6.404 0.000 -3.505) 7.300 7.511 ( 5.976 0.000 -1.754) 6.228 7.678 ( 0.725 0.000 -1.718) 1.865 7.939 ( 4.514 0.000 3.045) 5.445 7.965 ( 3.453 0.000 3.366) 4.822 8.641 ( -6.453 -0.000 0.072) 6.453 8.715 ( -11.175 -0.000 0.292) 11.179 9.001 ( 10.259 0.000 10.137) 14.422 9.083 ( -1.725 -0.000 7.573) 7.767 9.612 ( -4.351 -0.000 7.408) 8.591 9.630 ( 5.941 0.000 2.680) 6.517 9.874 ( -5.303 -0.000 -0.753) 5.356 10.209 ( -5.048 -0.000 -9.358) 10.633 10.614 ( 11.519 0.000 -6.988) 13.473 10.766 ( -11.452 -0.000 2.023) 11.629 11.176 ( -3.030 -0.000 3.104) 4.338 11.273 ( 0.726 0.000 -11.960) 11.982 11.453 ( 16.650 0.000 -12.406) 20.764 11.590 ( 4.128 0.000 -9.075) 9.969 11.607 ( -4.681 -0.000 -6.081) 7.674 12.398 ( -9.628 -0.000 0.579) 9.646 12.452 ( 9.395 0.000 -0.342) 9.402 12.822 ( 9.064 0.000 6.015) 10.878 13.285 ( -6.323 -0.000 17.002) 18.140 13.392 ( 1.479 0.000 -6.628) 6.791 15.239 ( -10.031 -0.000 1.309) 10.116 16.011 ( -18.084 -0.000 -16.592) 24.542 16.536 ( 8.417 0.000 -0.852) 8.460 16.617 ( 3.672 0.000 1.727) 4.058 ======================= Grid point 522 (252/282) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -3.618 -0.000 -3.268) 4.875 2.385 ( 3.618 0.000 3.268) 4.875 2.780 ( 6.412 0.000 -5.647) 8.544 2.780 ( -6.412 -0.000 5.647) 8.544 3.055 ( 0.151 0.000 -0.851) 0.864 3.055 ( -0.151 -0.000 0.851) 0.864 3.763 ( 4.400 0.000 -4.366) 6.198 3.763 ( -4.400 -0.000 4.366) 6.198 3.979 ( -0.762 -0.000 -10.252) 10.281 3.979 ( 0.762 0.000 10.252) 10.281 4.383 ( -0.882 -0.000 -12.754) 12.784 4.383 ( 0.882 0.000 12.754) 12.784 4.442 ( 4.716 0.000 -12.151) 13.034 4.442 ( -4.716 -0.000 12.151) 13.034 5.396 ( -3.386 -0.000 0.102) 3.388 5.396 ( 3.386 0.000 -0.102) 3.388 5.910 ( 0.588 0.000 -2.302) 2.376 5.910 ( -0.588 -0.000 2.302) 2.376 7.407 ( 3.217 0.000 -1.948) 3.761 7.407 ( -3.217 -0.000 1.948) 3.761 7.590 ( -2.806 -0.000 0.234) 2.816 7.590 ( 2.806 0.000 -0.234) 2.816 8.087 ( 0.449 0.000 -0.197) 0.490 8.087 ( -0.449 -0.000 0.197) 0.490 8.514 ( 0.991 0.000 -0.357) 1.054 8.514 ( -0.991 -0.000 0.357) 1.054 9.324 ( 1.011 0.000 -4.804) 4.909 9.324 ( -1.011 -0.000 4.804) 4.909 9.821 ( 3.978 0.000 -4.750) 6.195 9.821 ( -3.978 -0.000 4.750) 6.195 10.216 ( 7.091 0.000 -20.633) 21.817 10.216 ( -7.091 -0.000 20.633) 21.817 10.377 ( -3.677 -0.000 -17.402) 17.786 10.377 ( 3.677 0.000 17.402) 17.786 10.997 ( -3.156 -0.000 -10.933) 11.379 10.997 ( 3.156 0.000 10.933) 11.379 11.163 ( -3.394 -0.000 -1.763) 3.825 11.163 ( 3.394 0.000 1.763) 3.825 11.961 ( -16.734 -0.000 2.023) 16.856 11.961 ( 16.734 0.000 -2.023) 16.856 12.859 ( -11.910 -0.000 0.615) 11.926 12.859 ( 11.910 0.000 -0.615) 11.926 13.481 ( 13.648 0.000 -8.255) 15.950 13.481 ( -13.648 -0.000 8.255) 15.950 15.216 ( -2.975 -0.000 -5.402) 6.167 15.216 ( 2.975 0.000 5.402) 6.167 16.676 ( 2.676 0.000 -0.929) 2.833 16.676 ( -2.676 -0.000 0.929) 2.833 ======================= Grid point 524 (253/282) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 2.089 -2.433 -15.034) 15.372 2.456 ( 7.486 -2.523 -8.159) 11.357 2.756 ( -5.511 0.171 7.927) 9.656 2.841 ( 5.710 -1.231 -2.877) 6.511 3.052 ( 0.511 2.364 0.377) 2.448 3.095 ( 0.142 -2.223 5.541) 5.972 3.727 ( -2.311 1.644 -0.249) 2.847 3.750 ( -0.360 0.191 -5.416) 5.431 3.872 ( 2.194 -1.862 -11.195) 11.559 4.070 ( -1.016 -2.287 6.547) 7.009 4.316 ( 9.118 -0.082 -14.864) 17.438 4.424 ( 2.981 -0.748 -3.175) 4.419 4.523 ( 0.408 -1.754 10.797) 10.946 4.574 ( 2.593 -0.982 16.783) 17.010 5.350 ( -1.408 3.504 1.804) 4.185 5.434 ( 3.056 3.136 -0.096) 4.380 5.942 ( 4.007 -2.544 -0.758) 4.806 5.974 ( 3.643 -4.046 2.568) 6.019 7.371 ( -3.176 2.766 2.758) 5.034 7.417 ( 1.005 3.366 -1.037) 3.663 7.548 ( -4.673 -2.354 1.035) 5.334 7.633 ( 1.187 -2.671 0.893) 3.057 8.046 ( -2.721 3.199 -1.223) 4.375 8.066 ( -1.966 1.542 -0.311) 2.518 8.536 ( 3.972 1.615 0.495) 4.316 8.562 ( 6.169 1.660 0.405) 6.401 9.291 ( 0.950 -1.515 -6.347) 6.594 9.337 ( -1.923 -0.647 -0.574) 2.109 9.806 ( -2.945 -2.342 -0.373) 3.781 9.842 ( 5.688 -1.407 -7.967) 9.890 10.049 ( 3.204 7.732 -16.090) 18.137 10.176 ( -0.032 -6.223 -11.933) 13.458 10.327 ( -7.351 4.418 17.181) 19.202 10.633 ( 3.327 -1.816 16.830) 17.252 10.879 ( -3.317 0.445 0.811) 3.443 11.036 ( -5.786 3.918 6.202) 9.343 11.209 ( 6.839 4.374 1.206) 8.207 11.265 ( 5.676 -3.332 7.374) 9.884 11.740 ( -16.375 -3.677 2.221) 16.930 12.194 ( 13.048 -2.792 0.157) 13.344 12.659 ( -13.436 0.450 -0.411) 13.449 12.976 ( 4.029 1.748 -1.547) 4.656 13.356 ( -9.672 0.133 4.437) 10.642 13.590 ( 12.230 -1.404 -11.350) 16.744 15.190 ( 3.773 -2.099 -3.259) 5.410 15.393 ( 9.702 -1.860 9.441) 13.665 16.623 ( -6.338 -1.534 1.253) 6.641 16.688 ( -0.706 -1.425 -0.652) 1.719 ======================= Grid point 525 (254/282) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 6.112 -3.511 -22.062) 23.161 2.499 ( 8.563 -3.366 -12.062) 15.171 2.770 ( -3.070 -0.384 7.957) 8.538 2.881 ( 1.652 -2.069 -4.031) 4.823 3.036 ( -0.509 3.518 0.741) 3.631 3.188 ( -0.121 -3.158 7.476) 8.116 3.611 ( -2.409 0.035 -8.425) 8.763 3.745 ( 0.531 -0.468 2.946) 3.029 3.871 ( 5.280 1.610 -4.181) 6.925 4.117 ( -0.720 -3.706 1.870) 4.213 4.317 ( 12.616 -1.181 -20.933) 24.469 4.502 ( 4.794 -1.706 4.454) 6.762 4.683 ( 0.671 -4.814 13.825) 14.655 4.781 ( 4.598 -1.652 11.360) 12.366 5.354 ( 3.027 6.724 4.567) 8.673 5.446 ( 3.993 5.008 -1.159) 6.509 6.045 ( 5.415 -4.438 1.089) 7.086 6.123 ( 6.643 -6.763 2.806) 9.887 7.317 ( -3.502 4.250 1.938) 5.838 7.351 ( -3.579 5.759 -1.418) 6.927 7.501 ( -6.139 -2.126 2.148) 6.843 7.677 ( -1.116 -3.759 1.838) 4.330 7.940 ( -4.237 5.103 -2.186) 6.984 7.999 ( -3.859 2.770 -0.822) 4.821 8.605 ( 7.449 4.484 -0.498) 8.709 8.682 ( 10.890 3.551 1.049) 11.502 9.212 ( -6.171 1.604 -10.086) 11.933 9.249 ( 0.110 -0.893 -7.151) 7.208 9.740 ( -2.868 -2.715 -6.928) 7.975 9.833 ( 2.794 -0.852 -8.142) 8.650 9.972 ( 7.809 0.457 -13.162) 15.311 10.186 ( -1.252 -8.939 1.856) 9.216 10.319 ( -5.044 7.428 14.031) 16.658 10.792 ( 5.254 -1.131 3.827) 6.598 10.905 ( -5.343 6.223 15.535) 17.568 11.043 ( 0.465 0.716 11.300) 11.333 11.240 ( -0.414 1.578 2.097) 2.657 11.493 ( 6.860 -4.926 9.410) 12.644 11.576 ( -9.537 -2.965 -0.063) 9.987 12.390 ( 7.347 -2.288 2.852) 8.207 12.455 ( -11.200 -0.132 -0.935) 11.240 12.890 ( -9.800 2.392 -2.164) 10.317 13.292 ( -0.718 3.979 -0.103) 4.045 13.648 ( 8.961 -3.588 -13.718) 16.773 15.291 ( 9.939 -3.620 -2.510) 10.872 15.711 ( 13.883 -1.991 13.858) 19.717 16.538 ( -9.225 -3.661 2.156) 10.156 16.669 ( -2.930 -3.115 -0.686) 4.332 ======================= Grid point 526 (255/282) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 9.574 -4.330 -21.839) 24.236 2.539 ( 7.317 -3.068 -9.604) 12.457 2.788 ( -2.116 0.242 -0.807) 2.277 2.854 ( -2.507 1.076 1.435) 3.082 3.005 ( -2.643 -1.969 0.737) 3.377 3.242 ( -0.487 0.728 1.788) 1.991 3.572 ( 0.985 -2.783 1.332) 3.239 3.802 ( 2.919 -0.786 1.154) 3.236 3.889 ( -0.339 4.228 4.571) 6.236 4.140 ( 0.599 -1.584 -2.698) 3.186 4.325 ( 12.313 -4.142 -18.942) 22.969 4.658 ( 8.358 -1.836 3.020) 9.074 4.867 ( -0.152 -7.815 12.194) 14.484 4.960 ( 4.668 -2.486 7.707) 9.347 5.392 ( 2.714 6.019 1.559) 6.784 5.482 ( 8.090 8.842 1.358) 12.061 6.192 ( 5.769 -7.375 2.177) 9.613 6.322 ( 7.977 -6.806 3.531) 11.064 7.186 ( -6.362 9.197 -3.904) 11.845 7.246 ( -4.405 3.420 1.426) 5.756 7.436 ( -6.553 -0.411 3.037) 7.234 7.677 ( -4.469 -3.089 1.192) 5.562 7.813 ( -4.470 4.629 -1.695) 6.654 7.896 ( -4.678 2.951 -1.486) 5.727 8.654 ( 6.870 9.114 -3.881) 12.055 8.840 ( 12.254 5.202 0.214) 13.315 8.978 ( -6.946 -1.496 -10.566) 12.733 9.186 ( -0.324 -0.371 -6.413) 6.432 9.648 ( -1.142 0.047 -6.723) 6.820 9.803 ( -0.316 -4.192 -5.510) 6.930 9.978 ( 8.714 -0.624 -11.491) 14.434 10.129 ( -11.711 3.470 7.232) 14.195 10.503 ( 8.457 -5.480 12.668) 16.187 10.844 ( -7.255 4.547 8.062) 11.761 10.998 ( 6.124 -4.266 9.471) 12.058 11.168 ( 3.317 2.010 3.682) 5.348 11.267 ( -2.937 -2.522 11.946) 12.558 11.482 ( -2.655 0.803 -1.858) 3.338 11.707 ( 5.296 -5.387 5.222) 9.183 12.293 ( -9.295 0.575 1.093) 9.377 12.529 ( 3.421 -1.813 3.826) 5.443 12.665 ( -10.955 2.431 -3.801) 11.847 13.226 ( -0.633 8.029 -2.320) 8.381 13.648 ( 4.913 -4.459 -14.198) 15.672 15.478 ( 13.411 -3.457 -2.793) 14.128 16.059 ( 11.032 1.449 13.637) 17.601 16.461 ( -9.578 -6.054 5.291) 12.505 16.642 ( -2.889 -5.309 -1.661) 6.268 ======================= Grid point 527 (256/282) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 11.397 -4.890 -14.057) 18.746 2.572 ( 3.034 -1.073 -4.060) 5.181 2.663 ( -7.211 1.513 -4.053) 8.409 2.827 ( -0.859 3.928 1.665) 4.352 3.025 ( -1.975 -7.066 1.868) 7.571 3.234 ( 1.827 3.471 -0.597) 3.968 3.646 ( 1.052 -2.272 2.541) 3.567 3.866 ( 0.952 -1.341 5.638) 5.873 3.899 ( -1.277 2.092 5.083) 5.643 4.090 ( 0.959 1.835 -9.193) 9.424 4.376 ( 6.834 -3.715 -8.370) 11.426 4.817 ( 7.476 -1.089 0.633) 7.581 5.021 ( -0.298 -7.061 7.146) 10.051 5.119 ( 3.298 -3.534 7.184) 8.659 5.370 ( 2.423 4.573 -5.034) 7.219 5.549 ( 5.062 8.350 3.490) 10.369 6.377 ( 6.320 -10.406 2.460) 12.421 6.514 ( 6.162 -3.206 3.664) 7.853 6.951 ( -7.588 10.313 -4.994) 13.743 7.174 ( -3.093 1.932 0.413) 3.670 7.382 ( -3.836 0.489 2.737) 4.737 7.614 ( -5.332 -0.327 -0.610) 5.377 7.715 ( -2.896 2.185 -0.549) 3.669 7.801 ( -3.475 1.414 -1.077) 3.903 8.558 ( -1.070 7.400 -7.149) 10.345 8.878 ( 0.470 -3.714 -2.771) 4.657 8.982 ( 10.025 5.887 -1.914) 11.782 9.131 ( -1.102 -1.335 -2.945) 3.416 9.583 ( -0.827 1.568 -2.264) 2.876 9.777 ( -1.221 -3.365 -3.253) 4.837 9.974 ( -3.031 2.858 -1.190) 4.333 10.048 ( 2.417 -1.158 -1.577) 3.110 10.713 ( -3.942 5.940 10.394) 12.604 10.833 ( 0.671 -9.688 5.839) 11.331 11.172 ( 9.073 6.038 -2.821) 11.258 11.249 ( -0.311 -7.479 9.287) 11.928 11.382 ( 4.323 -0.863 2.113) 4.889 11.467 ( -1.481 -2.707 6.820) 7.485 11.818 ( 2.016 -2.408 -0.367) 3.162 12.133 ( -10.825 3.746 -0.673) 11.475 12.499 ( -4.536 -2.283 -0.800) 5.141 12.623 ( 2.898 1.060 1.875) 3.610 13.122 ( -1.638 7.538 -1.128) 7.796 13.599 ( 1.522 -3.093 -10.489) 11.041 15.661 ( 10.486 -1.448 -2.900) 10.976 16.231 ( 1.583 1.436 5.542) 5.939 16.452 ( -5.761 -2.154 7.551) 9.739 16.656 ( 0.801 -6.391 -0.721) 6.481 ======================= Grid point 528 (257/282) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.000 0.000 0.000) 0.000 2.528 ( 0.000 -0.000 -0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 -0.000 -0.000) 0.000 3.051 ( 0.000 0.000 -0.000) 0.000 3.234 ( 0.000 -0.000 -0.000) 0.000 3.669 ( 0.000 0.000 -0.000) 0.000 3.907 ( 0.000 -0.000 -0.000) 0.000 3.965 ( 0.000 -0.000 -0.000) 0.000 3.989 ( 0.000 -0.000 0.000) 0.000 4.403 ( -0.000 -0.000 0.000) 0.000 4.885 ( 0.000 -0.000 -0.000) 0.000 5.086 ( 0.000 0.000 -0.000) 0.000 5.217 ( 0.000 -0.000 0.000) 0.000 5.325 ( 0.000 0.000 -0.000) 0.000 5.570 ( 0.000 -0.000 -0.000) 0.000 6.548 ( -0.000 0.000 -0.000) 0.000 6.570 ( 0.000 -0.000 -0.000) 0.000 6.785 ( 0.000 -0.000 0.000) 0.000 7.143 ( 0.000 -0.000 -0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 -0.000 -0.000) 0.000 7.683 ( 0.000 -0.000 -0.000) 0.000 7.761 ( 0.000 -0.000 -0.000) 0.000 8.475 ( 0.000 -0.000 -0.000) 0.000 8.892 ( 0.000 -0.000 -0.000) 0.000 9.023 ( 0.000 -0.000 -0.000) 0.000 9.120 ( 0.000 -0.000 -0.000) 0.000 9.556 ( 0.000 -0.000 -0.000) 0.000 9.763 ( 0.000 -0.000 -0.000) 0.000 9.924 ( 0.000 -0.000 -0.000) 0.000 10.078 ( 0.000 -0.000 -0.000) 0.000 10.685 ( 0.000 -0.000 -0.000) 0.000 10.915 ( 0.000 -0.000 -0.000) 0.000 11.223 ( -0.000 -0.000 -0.000) 0.000 11.302 ( 0.000 0.000 -0.000) 0.000 11.458 ( 0.000 -0.000 -0.000) 0.000 11.533 ( 0.000 -0.000 -0.000) 0.000 11.832 ( 0.000 -0.000 -0.000) 0.000 11.986 ( 0.000 -0.000 -0.000) 0.000 12.485 ( 0.000 -0.000 -0.000) 0.000 12.649 ( 0.000 -0.000 0.000) 0.000 13.072 ( 0.000 -0.000 -0.000) 0.000 13.565 ( 0.000 -0.000 0.000) 0.000 15.735 ( 0.000 -0.000 0.000) 0.000 16.261 ( 0.000 -0.000 -0.000) 0.000 16.445 ( 0.000 -0.000 -0.000) 0.000 16.698 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 535 (258/282) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 6.599 0.000 -22.140) 23.102 2.473 ( 10.170 0.000 -12.998) 16.504 2.763 ( -4.901 -0.000 9.799) 10.956 2.863 ( 2.806 0.000 -5.873) 6.508 3.079 ( -2.566 -0.000 3.324) 4.200 3.149 ( 1.464 0.000 6.197) 6.367 3.610 ( -2.614 -0.000 -9.776) 10.119 3.741 ( -0.049 -0.000 3.798) 3.798 3.891 ( 11.493 0.000 -9.222) 14.736 4.078 ( -4.968 -0.000 6.587) 8.250 4.310 ( 13.293 0.000 -22.548) 26.175 4.488 ( 4.905 0.000 4.544) 6.686 4.643 ( -1.006 -0.000 14.978) 15.012 4.771 ( 5.018 0.000 11.206) 12.278 5.418 ( 4.932 0.000 4.244) 6.506 5.483 ( 1.927 0.000 0.142) 1.932 6.026 ( 8.117 0.000 0.061) 8.117 6.047 ( 4.430 0.000 3.011) 5.356 7.353 ( -4.712 -0.000 3.124) 5.654 7.404 ( -3.408 -0.000 -1.129) 3.591 7.473 ( -5.333 -0.000 1.557) 5.555 7.645 ( -0.180 -0.000 1.384) 1.395 7.987 ( -4.974 -0.000 -1.638) 5.237 8.015 ( -3.847 -0.000 -1.548) 4.147 8.638 ( 7.678 0.000 0.100) 7.679 8.712 ( 11.757 0.000 0.524) 11.769 9.232 ( -6.299 -0.000 -9.448) 11.355 9.236 ( 1.026 0.000 -7.039) 7.114 9.707 ( -4.377 -0.000 -4.840) 6.526 9.824 ( 5.109 0.000 -12.002) 13.044 10.022 ( 6.802 0.000 -14.524) 16.038 10.073 ( 0.333 0.000 2.024) 2.051 10.389 ( -8.609 -0.000 15.890) 18.072 10.766 ( 4.381 0.000 3.895) 5.862 10.986 ( 0.054 0.000 19.125) 19.125 11.054 ( -2.871 -0.000 8.320) 8.802 11.220 ( -11.183 -0.000 5.228) 12.345 11.446 ( 7.795 0.000 8.965) 11.880 11.574 ( -1.817 -0.000 -2.971) 3.483 12.368 ( 9.102 0.000 2.366) 9.404 12.454 ( -12.594 -0.000 -0.061) 12.595 12.907 ( -10.901 -0.000 -1.655) 11.026 13.330 ( 1.957 0.000 0.253) 1.973 13.614 ( 8.471 0.000 -14.695) 16.962 15.263 ( 9.912 0.000 -1.813) 10.076 15.696 ( 15.149 0.000 13.983) 20.616 16.508 ( -9.573 -0.000 1.717) 9.726 16.644 ( -3.188 -0.000 -0.854) 3.301 ======================= Grid point 536 (259/282) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 10.345 -1.639 -22.875) 25.159 2.516 ( 11.287 -0.343 -12.165) 16.598 2.794 ( -2.662 0.637 1.962) 3.368 2.822 ( -2.072 -3.025 1.338) 3.903 3.016 ( -6.922 1.574 0.314) 7.105 3.242 ( 1.324 -0.335 6.017) 6.170 3.540 ( 1.265 -1.106 -1.992) 2.606 3.795 ( 2.371 -0.212 2.379) 3.366 3.968 ( 4.257 5.629 0.369) 7.067 4.079 ( -2.546 -5.510 3.352) 6.934 4.288 ( 14.636 -0.883 -24.726) 28.746 4.639 ( 9.606 -0.607 2.010) 9.833 4.776 ( -2.306 -3.191 14.740) 15.257 4.940 ( 4.807 -0.596 7.396) 8.841 5.490 ( 2.164 5.055 0.784) 5.555 5.575 ( 9.085 2.579 3.985) 10.250 6.129 ( 4.919 -0.059 1.839) 5.252 6.208 ( 8.592 -6.853 2.089) 11.187 7.286 ( -6.856 1.906 1.715) 7.320 7.294 ( -6.033 4.016 -1.503) 7.402 7.418 ( -4.975 -1.518 1.611) 5.445 7.640 ( -2.870 -1.375 1.088) 3.363 7.871 ( -5.993 2.421 -1.960) 6.754 7.924 ( -5.391 0.623 -1.869) 5.740 8.751 ( 8.534 2.897 -1.507) 9.137 8.902 ( 11.893 3.075 -1.798) 12.415 8.971 ( -8.716 -0.215 -13.309) 15.911 9.178 ( 0.131 -0.444 -7.143) 7.158 9.613 ( -2.408 -2.103 -4.750) 5.726 9.785 ( 4.453 -0.365 -9.582) 10.573 9.990 ( 6.238 2.701 -8.973) 11.257 10.117 ( -8.294 -4.157 7.834) 12.142 10.461 ( 4.885 0.381 11.251) 12.271 10.907 ( -13.155 -2.884 17.254) 21.887 10.960 ( 2.923 5.489 0.917) 6.286 11.139 ( -3.347 -4.925 8.723) 10.562 11.240 ( 3.328 0.002 11.989) 12.443 11.543 ( 1.739 3.731 -4.720) 6.263 11.642 ( 6.654 -2.467 5.401) 8.918 12.304 ( -7.692 0.570 2.547) 8.123 12.494 ( 0.781 -1.767 3.121) 3.670 12.692 ( -10.051 0.967 -3.120) 10.569 13.346 ( 2.216 6.123 -1.297) 6.640 13.572 ( 4.507 -4.433 -16.362) 17.541 15.441 ( 14.025 -1.272 -1.498) 14.162 16.084 ( 14.404 1.296 16.089) 21.633 16.384 ( -10.081 -3.175 3.032) 10.996 16.582 ( -4.026 -2.174 -1.734) 4.893 ======================= Grid point 537 (260/282) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 13.738 -2.732 -15.652) 21.005 2.575 ( 9.009 1.337 -7.097) 11.547 2.686 ( -5.590 1.287 -4.631) 7.372 2.870 ( -4.517 1.640 0.176) 4.809 2.911 ( -4.365 -6.748 6.512) 10.344 3.291 ( 1.275 3.526 2.648) 4.590 3.607 ( 2.305 -2.655 3.927) 5.271 3.850 ( 2.079 -0.626 1.601) 2.698 3.948 ( -5.402 4.028 7.932) 10.408 4.095 ( 0.395 -1.319 -5.854) 6.014 4.318 ( 13.340 -3.194 -15.868) 20.975 4.806 ( 11.046 -0.331 -2.500) 11.330 4.910 ( -2.766 -5.508 12.820) 14.225 5.075 ( 3.836 -2.448 4.990) 6.753 5.472 ( 1.657 7.225 -1.104) 7.495 5.690 ( 6.125 8.251 1.820) 10.436 6.239 ( 4.288 -6.645 1.712) 8.091 6.422 ( 8.278 -7.495 2.542) 11.453 7.097 ( -8.514 8.028 -3.932) 12.345 7.201 ( -5.595 1.056 1.113) 5.802 7.375 ( -3.320 -1.141 0.703) 3.581 7.607 ( -2.939 -0.403 0.377) 2.990 7.750 ( -5.302 1.924 -0.715) 5.685 7.817 ( -5.281 0.698 -1.264) 5.474 8.638 ( -8.462 2.462 -11.529) 14.512 8.852 ( 5.074 0.520 -0.957) 5.190 9.061 ( 10.414 3.443 -3.641) 11.557 9.103 ( -2.538 -1.612 -5.526) 6.291 9.574 ( 0.230 -1.528 -3.445) 3.775 9.785 ( 5.412 2.828 -4.589) 7.639 9.998 ( 4.387 -1.409 -5.158) 6.916 10.034 ( -10.649 1.068 6.750) 12.653 10.695 ( -9.406 -5.167 7.836) 13.288 10.761 ( 2.221 -1.705 12.017) 12.339 11.150 ( 0.231 -2.427 8.627) 8.965 11.226 ( 6.196 -0.784 6.300) 8.871 11.399 ( 9.792 2.222 -0.240) 10.043 11.466 ( -3.434 2.151 0.286) 4.062 11.773 ( 3.874 -2.821 -0.118) 4.794 12.210 ( -8.397 6.214 1.949) 10.627 12.428 ( -7.246 -6.223 1.286) 9.638 12.651 ( 3.116 1.833 -0.099) 3.617 13.261 ( -0.102 9.888 -5.826) 11.477 13.528 ( 1.262 -6.182 -8.766) 10.801 15.641 ( 11.261 -1.034 -1.444) 11.400 16.255 ( -2.058 1.561 3.993) 4.756 16.419 ( -1.088 -1.864 8.144) 8.425 16.567 ( 3.195 -4.706 1.843) 5.979 ======================= Grid point 538 (261/282) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 9.821 -0.520 -2.973) 10.275 2.544 ( -5.487 1.826 0.726) 5.828 2.627 ( 4.917 3.158 -1.977) 6.169 2.783 ( -3.336 -3.298 -2.931) 5.531 3.003 ( -0.797 -4.909 6.787) 8.414 3.281 ( -0.450 4.627 0.151) 4.651 3.673 ( 0.971 0.393 1.922) 2.189 3.916 ( -4.702 0.408 6.454) 7.996 3.927 ( 0.797 -2.323 5.839) 6.334 4.010 ( 0.815 1.070 -11.846) 11.922 4.390 ( 5.579 -1.538 -4.150) 7.121 4.895 ( 4.608 1.173 -4.591) 6.609 5.008 ( -2.968 -5.876 6.683) 9.381 5.202 ( 2.043 -4.805 5.280) 7.425 5.399 ( 0.781 9.747 -4.352) 10.703 5.659 ( -1.252 9.211 -1.296) 9.386 6.392 ( 3.802 -11.403 1.268) 12.087 6.594 ( 4.444 -3.985 1.885) 6.259 6.855 ( -7.739 8.402 -4.677) 12.343 7.140 ( -2.873 -0.817 0.697) 3.067 7.351 ( -0.176 -1.572 -2.273) 2.769 7.579 ( 0.313 2.321 0.696) 2.443 7.685 ( -1.579 0.180 0.368) 1.631 7.751 ( -2.520 -1.177 0.482) 2.823 8.451 ( -5.324 -2.530 -3.712) 6.966 8.912 ( 3.365 2.001 1.478) 4.184 9.003 ( -5.858 -2.373 -3.425) 7.189 9.127 ( 4.057 0.975 -2.558) 4.894 9.554 ( -0.146 0.590 -1.613) 1.724 9.790 ( 2.164 2.840 -1.603) 3.914 9.979 ( -0.731 3.883 4.993) 6.367 10.028 ( 0.612 -3.614 -2.205) 4.278 10.597 ( -10.640 -8.665 4.550) 14.457 10.969 ( 4.291 4.521 5.623) 8.394 11.170 ( -4.243 -3.643 2.266) 6.034 11.382 ( 8.493 5.112 -8.473) 13.041 11.399 ( -2.105 -3.856 5.957) 7.402 11.569 ( 8.700 2.752 2.675) 9.509 11.808 ( 1.211 -2.522 -3.263) 4.298 12.025 ( -4.902 4.456 -1.572) 6.808 12.459 ( -0.827 -3.097 4.797) 5.770 12.661 ( 0.459 1.397 -1.045) 1.804 13.113 ( 0.030 4.799 -10.234) 11.304 13.546 ( -0.343 -2.324 4.452) 5.034 15.731 ( -0.393 -0.462 1.449) 1.571 16.270 ( 1.668 1.310 -0.574) 2.197 16.415 ( 0.371 -3.437 -2.749) 4.417 16.711 ( 3.683 1.354 5.966) 7.141 ======================= Grid point 539 (262/282) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -7.878 6.071 11.634) 15.306 2.594 ( 7.736 0.179 1.476) 7.878 2.652 ( 0.841 1.092 5.020) 5.206 2.759 ( -0.613 -4.134 -2.400) 4.819 3.082 ( 0.886 -1.323 3.504) 3.849 3.215 ( -3.551 2.235 -0.334) 4.209 3.682 ( 0.386 2.698 -0.120) 2.728 3.878 ( 2.094 -0.047 -10.142) 10.356 3.892 ( -4.600 1.172 -0.365) 4.761 4.044 ( -0.775 -3.887 9.352) 10.157 4.419 ( -0.569 1.743 2.435) 3.048 4.840 ( -3.540 2.032 -4.453) 6.041 5.026 ( -4.063 -4.108 -0.840) 5.839 5.259 ( 1.542 12.681 -6.655) 14.404 5.302 ( -4.004 -6.155 5.972) 9.464 5.510 ( -6.158 4.718 -4.875) 9.162 6.477 ( -3.427 -4.597 -2.792) 6.377 6.559 ( -4.853 9.338 -2.132) 10.738 6.800 ( 4.176 -8.692 2.470) 9.955 7.143 ( 0.255 -2.604 0.740) 2.719 7.360 ( 4.512 -2.042 -4.638) 6.785 7.614 ( 4.249 0.027 1.297) 4.443 7.697 ( 1.926 -0.122 0.720) 2.060 7.772 ( 1.817 -2.437 1.127) 3.242 8.438 ( -2.557 -7.522 3.645) 8.741 8.882 ( -9.743 -5.281 -2.003) 11.262 8.955 ( 0.573 4.031 5.422) 6.781 9.144 ( 0.969 0.497 0.921) 1.426 9.550 ( 0.191 -1.176 1.245) 1.724 9.813 ( 3.433 -0.940 0.133) 3.562 10.004 ( -0.275 0.810 1.084) 1.381 10.026 ( -0.641 2.757 4.277) 5.129 10.585 ( -2.301 -10.083 -4.426) 11.249 10.967 ( 0.559 7.234 -0.335) 7.263 11.106 ( -9.084 -1.777 1.221) 9.336 11.285 ( -6.938 -2.096 -5.853) 9.316 11.471 ( 9.681 9.040 -5.926) 14.511 11.539 ( -1.106 5.945 -10.480) 12.099 11.834 ( 1.519 -0.340 1.405) 2.097 12.092 ( 10.626 -1.810 3.252) 11.259 12.495 ( -0.608 -1.846 2.057) 2.830 12.630 ( -1.347 1.412 -1.819) 2.668 13.044 ( 3.602 -2.585 -5.850) 7.341 13.626 ( -1.771 0.609 12.477) 12.617 15.683 ( -8.991 1.256 4.660) 10.205 16.213 ( -3.748 -0.969 -6.508) 7.573 16.480 ( 10.565 1.353 -6.238) 12.344 16.751 ( 0.406 5.564 2.590) 6.150 ======================= Grid point 540 (263/282) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -8.462 5.909 19.733) 22.269 2.612 ( -3.564 6.203 7.539) 10.393 2.766 ( -0.019 -4.627 -2.350) 5.189 2.808 ( 5.949 -1.498 5.000) 7.914 3.066 ( -1.936 4.295 -1.490) 4.941 3.212 ( 1.080 -3.163 2.058) 3.925 3.621 ( -0.234 3.495 -5.514) 6.532 3.820 ( -4.338 1.371 1.222) 4.711 3.843 ( 2.589 -1.599 -5.409) 6.206 4.131 ( -2.228 -2.355 7.396) 8.075 4.399 ( -5.340 4.563 8.059) 10.690 4.695 ( -6.634 2.861 -4.113) 8.313 4.928 ( -6.963 -0.403 -4.741) 8.433 5.082 ( 0.582 12.910 -11.308) 17.172 5.333 ( -7.804 -9.110 -3.130) 12.398 5.345 ( -4.527 0.207 2.670) 5.259 6.323 ( -6.914 7.998 -2.307) 10.821 6.405 ( -5.525 4.919 -4.481) 8.648 7.015 ( 5.914 -12.683 4.695) 14.761 7.190 ( 1.821 -3.972 -0.092) 4.370 7.429 ( 8.248 -1.290 -4.489) 9.479 7.712 ( 5.878 -1.266 -0.428) 6.028 7.748 ( 2.810 -1.156 1.247) 3.284 7.843 ( 3.003 -3.538 0.842) 4.716 8.502 ( -5.057 -9.688 4.690) 11.893 8.744 ( -11.509 -6.750 -1.747) 13.456 9.019 ( 4.044 3.351 8.298) 9.820 9.188 ( 0.585 -0.160 5.797) 5.829 9.604 ( -0.397 -3.677 6.016) 7.062 9.892 ( 1.332 1.490 6.439) 6.742 9.983 ( -2.466 -0.155 1.933) 3.137 10.069 ( 4.126 0.212 1.141) 4.286 10.528 ( -2.663 -3.779 -12.804) 13.613 10.874 ( -0.004 7.997 -5.818) 9.890 11.000 ( -9.496 -3.449 1.252) 10.181 11.138 ( -5.865 -1.191 -4.717) 7.620 11.285 ( -1.557 1.767 -16.875) 17.039 11.562 ( 11.409 8.958 -2.395) 14.702 11.793 ( -3.103 5.423 -4.264) 7.564 12.288 ( 9.972 -0.205 0.419) 9.983 12.521 ( -3.136 -3.389 -2.397) 5.202 12.634 ( 7.231 -0.959 3.382) 8.040 13.125 ( 5.287 -4.724 -0.131) 7.091 13.700 ( -5.081 2.316 14.309) 15.360 15.543 ( -11.895 4.718 4.951) 13.721 16.045 ( -7.949 -0.413 -11.567) 14.041 16.553 ( 10.718 5.506 -6.512) 13.696 16.731 ( 1.229 5.754 1.286) 6.023 ======================= Grid point 541 (264/282) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -4.986 5.355 21.622) 22.826 2.576 ( -6.133 6.357 10.328) 13.590 2.763 ( 1.112 -1.453 -4.800) 5.137 2.899 ( 0.454 -0.283 1.885) 1.959 3.008 ( -2.383 0.230 1.493) 2.821 3.225 ( 1.240 1.497 -7.264) 7.520 3.604 ( 1.877 -1.044 3.435) 4.052 3.750 ( -2.871 0.124 -1.235) 3.128 3.868 ( 2.392 1.557 1.483) 3.216 4.154 ( -2.692 0.474 3.668) 4.574 4.358 ( -7.915 4.081 11.515) 14.557 4.541 ( -5.414 3.444 -2.297) 6.816 4.749 ( -7.371 2.206 -6.722) 10.217 4.857 ( -1.280 9.204 -15.475) 18.050 5.247 ( -1.974 -6.481 -5.120) 8.492 5.353 ( -5.144 -5.776 4.003) 8.709 6.149 ( -5.344 8.137 -0.994) 9.786 6.228 ( -5.672 6.838 -3.987) 9.737 7.217 ( 2.907 -9.959 2.986) 10.796 7.253 ( 2.474 -5.702 -1.048) 6.303 7.524 ( 8.103 0.775 -3.042) 8.690 7.745 ( 2.555 4.562 -2.517) 5.803 7.847 ( 3.052 -6.631 2.308) 7.656 7.932 ( 2.832 -5.484 0.398) 6.185 8.505 ( -6.473 -7.763 1.481) 10.215 8.613 ( -9.286 -5.230 -1.491) 10.761 9.188 ( 5.789 -1.499 9.652) 11.354 9.264 ( 0.802 0.949 7.312) 7.417 9.706 ( -1.167 -5.532 9.313) 10.895 9.920 ( -0.461 9.085 5.961) 10.876 9.985 ( -5.626 -0.518 11.035) 12.397 10.170 ( 6.725 -7.856 -6.837) 12.396 10.336 ( -2.340 6.470 -10.797) 12.803 10.760 ( -1.406 -1.170 -10.137) 10.301 10.887 ( -2.744 0.940 -3.244) 4.352 11.028 ( -1.754 -1.389 -8.933) 9.209 11.159 ( -5.001 -6.104 -3.277) 8.544 11.567 ( -5.846 5.166 -8.337) 11.418 11.696 ( 14.931 10.380 -4.994) 18.858 12.423 ( -2.051 1.856 -3.563) 4.511 12.453 ( 6.430 -0.668 2.939) 7.102 12.832 ( 7.079 -5.030 3.424) 9.335 13.239 ( 6.537 -2.346 -0.854) 6.998 13.703 ( -9.473 3.169 13.115) 16.486 15.372 ( -9.734 6.711 4.371) 12.605 15.757 ( -10.739 3.786 -13.294) 17.504 16.609 ( 8.513 5.144 -3.212) 10.452 16.729 ( 2.239 4.228 0.157) 4.787 ======================= Grid point 542 (265/282) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -1.534 5.899 15.577) 16.727 2.526 ( -6.453 6.190 7.902) 11.933 2.749 ( 3.799 -0.632 -5.548) 6.754 2.867 ( -3.789 1.568 -0.917) 4.202 3.017 ( -1.744 -1.904 4.409) 5.110 3.127 ( 0.463 1.867 -9.501) 9.694 3.693 ( 0.467 -2.619 4.233) 5.000 3.732 ( 0.318 -1.936 0.073) 1.963 3.928 ( 3.471 4.909 7.177) 9.363 4.119 ( -2.016 3.098 -0.815) 3.784 4.326 ( -5.608 1.481 8.638) 10.405 4.452 ( -4.347 3.002 4.391) 6.870 4.565 ( -6.817 2.759 -3.504) 8.146 4.616 ( 1.239 5.410 -20.584) 21.319 5.267 ( 2.372 -6.269 -2.407) 7.122 5.355 ( -4.317 -6.178 1.698) 7.726 6.021 ( -3.009 7.187 0.321) 7.798 6.065 ( -3.854 7.151 -2.763) 8.580 7.303 ( 2.188 -5.542 -1.588) 6.166 7.334 ( -0.559 -7.199 1.199) 7.319 7.594 ( 5.652 2.989 -1.251) 6.515 7.697 ( -0.703 4.967 -1.639) 5.277 7.966 ( 2.351 -6.766 2.216) 7.498 8.009 ( 1.621 -5.632 -0.667) 5.899 8.482 ( -3.580 -5.242 0.174) 6.351 8.520 ( -5.437 -3.619 -1.063) 6.617 9.326 ( 0.307 2.292 5.910) 6.346 9.343 ( 2.525 -0.148 4.451) 5.119 9.831 ( 0.582 -4.472 8.234) 9.388 9.885 ( -0.574 7.196 2.460) 7.626 9.991 ( -7.015 2.039 10.559) 12.840 10.144 ( -0.044 -8.752 -11.532) 14.477 10.323 ( 4.769 3.322 4.550) 7.381 10.637 ( -0.284 -2.186 -16.875) 17.018 10.873 ( 2.746 0.142 1.377) 3.075 10.975 ( 3.173 -2.729 -5.235) 6.702 11.114 ( -7.612 -7.240 2.448) 10.787 11.318 ( -6.922 3.626 -11.717) 14.083 11.843 ( 17.212 8.863 -2.701) 19.547 12.261 ( -10.699 5.144 -0.523) 11.883 12.644 ( 11.838 -1.526 1.327) 12.009 12.927 ( -3.613 -4.492 1.756) 6.026 13.357 ( 11.878 0.544 -4.425) 12.687 13.625 ( -12.893 2.735 10.810) 17.046 15.254 ( -4.340 6.215 4.620) 8.878 15.450 ( -8.141 5.482 -10.281) 14.213 16.665 ( 5.733 3.546 -1.275) 6.860 16.726 ( 0.685 3.215 0.121) 3.290 ======================= Grid point 543 (266/282) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -3.450 5.020 -3.674) 7.114 2.426 ( 3.450 5.020 3.674) 7.114 2.785 ( 4.432 0.565 -6.477) 7.869 2.785 ( -4.432 0.565 6.477) 7.869 3.055 ( 0.856 -0.094 -5.349) 5.417 3.055 ( -0.856 -0.094 5.349) 5.417 3.745 ( 2.218 -2.142 -2.518) 3.981 3.745 ( -2.218 -2.142 2.518) 3.981 4.016 ( -2.037 4.263 -7.720) 9.051 4.016 ( 2.037 4.263 7.720) 9.051 4.380 ( -1.412 0.153 -10.054) 10.154 4.380 ( 1.412 0.153 10.054) 10.154 4.470 ( 7.187 3.332 -14.671) 16.673 4.470 ( -7.187 3.332 14.671) 16.673 5.349 ( -1.090 -5.446 -0.696) 5.598 5.349 ( 1.090 -5.446 0.696) 5.598 5.959 ( 0.411 5.813 -2.273) 6.255 5.959 ( -0.411 5.813 2.273) 6.255 7.365 ( 2.460 -4.870 -1.672) 5.706 7.365 ( -2.460 -4.870 1.672) 5.706 7.626 ( -2.829 3.889 -0.127) 4.810 7.626 ( 2.829 3.889 0.127) 4.810 8.050 ( -0.072 -4.674 -1.366) 4.870 8.050 ( 0.072 -4.674 1.366) 4.870 8.491 ( -0.315 -2.867 -0.475) 2.923 8.491 ( 0.315 -2.867 0.475) 2.923 9.350 ( 0.536 2.725 -3.503) 4.470 9.350 ( -0.536 2.725 3.503) 4.470 9.852 ( 2.636 4.113 -3.595) 6.065 9.852 ( -2.636 4.113 3.595) 6.065 10.108 ( 3.643 -10.271 -18.090) 21.120 10.108 ( -3.643 -10.271 18.090) 21.120 10.441 ( -1.242 4.574 -17.455) 18.087 10.441 ( 1.242 4.574 17.455) 18.087 10.979 ( 0.139 -2.718 -10.066) 10.427 10.979 ( -0.139 -2.718 10.066) 10.427 11.133 ( -1.861 -2.296 -6.552) 7.188 11.133 ( 1.861 -2.296 6.552) 7.188 12.016 ( -15.879 6.366 1.731) 17.195 12.016 ( 15.879 6.366 -1.731) 17.195 12.842 ( -10.888 -2.106 0.280) 11.094 12.842 ( 10.888 -2.106 -0.280) 11.094 13.492 ( 13.419 1.387 -8.088) 15.729 13.492 ( -13.419 1.387 8.088) 15.729 15.249 ( -2.422 4.257 -6.117) 7.836 15.249 ( 2.422 4.257 6.117) 7.836 16.696 ( 0.557 2.423 -1.203) 2.763 16.696 ( -0.557 2.423 1.203) 2.763 ======================= Grid point 547 (267/282) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 14.603 0.000 -16.224) 21.828 2.592 ( 12.157 0.000 -9.399) 15.366 2.698 ( -3.531 -0.000 -6.239) 7.169 2.851 ( -7.239 -0.000 10.771) 12.977 2.882 ( -6.250 -0.000 -0.691) 6.288 3.323 ( 0.968 0.000 5.020) 5.112 3.581 ( 3.004 0.000 3.598) 4.687 3.845 ( 2.234 0.000 0.619) 2.319 3.995 ( -10.346 -0.000 10.426) 14.688 4.068 ( 3.417 0.000 -5.051) 6.099 4.292 ( 16.177 0.000 -20.108) 25.807 4.804 ( 12.871 0.000 -4.177) 13.532 4.866 ( -3.142 -0.000 14.546) 14.882 5.055 ( 2.520 0.000 5.130) 5.716 5.539 ( 1.805 0.000 -0.246) 1.821 5.759 ( 7.220 0.000 2.220) 7.554 6.191 ( 1.981 0.000 0.675) 2.093 6.345 ( 9.614 0.000 2.202) 9.863 7.178 ( -8.008 -0.000 -2.440) 8.372 7.196 ( -7.671 -0.000 0.573) 7.693 7.362 ( -2.700 -0.000 -0.114) 2.703 7.603 ( -1.772 -0.000 0.807) 1.947 7.766 ( -6.334 -0.000 -0.899) 6.397 7.822 ( -5.874 -0.000 -1.363) 6.030 8.651 ( -11.163 -0.000 -12.779) 16.968 8.865 ( 5.998 0.000 -0.834) 6.056 9.066 ( 3.709 0.000 -3.342) 4.993 9.110 ( 4.107 0.000 -7.692) 8.720 9.562 ( 2.320 0.000 -3.859) 4.503 9.808 ( 9.250 0.000 -7.800) 12.100 10.009 ( -13.818 -0.000 8.651) 16.303 10.020 ( 3.703 0.000 -1.934) 4.178 10.679 ( -23.127 -0.000 10.667) 25.468 10.711 ( 13.681 0.000 8.817) 16.276 11.174 ( -4.704 -0.000 11.418) 12.349 11.178 ( 10.980 0.000 6.677) 12.851 11.419 ( 9.296 0.000 3.062) 9.788 11.493 ( -3.067 -0.000 -4.933) 5.809 11.748 ( 4.610 0.000 -0.176) 4.613 12.302 ( -0.822 -0.000 8.058) 8.100 12.336 ( -14.230 -0.000 -3.350) 14.619 12.666 ( 3.117 0.000 -0.644) 3.183 13.403 ( 1.103 0.000 -20.389) 20.418 13.416 ( 0.488 0.000 4.883) 4.908 15.633 ( 11.458 0.000 -0.868) 11.490 16.270 ( -4.815 -0.000 2.838) 5.589 16.404 ( 1.181 0.000 8.394) 8.477 16.528 ( 5.080 0.000 3.305) 6.061 ======================= Grid point 548 (268/282) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 15.085 -0.300 -4.626) 15.781 2.575 ( -6.876 1.643 0.476) 7.086 2.683 ( 7.656 3.410 -4.840) 9.678 2.729 ( -4.072 -3.128 -3.206) 6.054 2.932 ( -3.348 -3.319 10.448) 11.462 3.341 ( -1.566 2.427 1.100) 3.091 3.677 ( 2.563 0.065 5.154) 5.756 3.885 ( 0.337 -1.493 3.514) 3.832 3.940 ( -8.321 1.126 9.252) 12.494 4.015 ( 2.085 -0.177 -13.172) 13.337 4.368 ( 9.606 -0.957 -7.471) 12.207 4.915 ( 9.249 1.084 -8.840) 12.840 4.946 ( -4.033 -2.018 10.090) 11.052 5.131 ( -0.404 -3.017 5.717) 6.477 5.535 ( 1.591 5.757 -1.950) 6.283 5.790 ( -0.751 5.956 -1.950) 6.312 6.245 ( 1.906 -6.226 0.942) 6.578 6.513 ( 7.210 -4.201 1.095) 8.416 6.989 ( -8.233 7.756 -3.420) 11.817 7.102 ( -6.145 -4.209 -0.776) 7.489 7.332 ( 0.278 -0.664 -2.688) 2.783 7.614 ( 2.517 1.662 0.784) 3.117 7.686 ( -3.659 -0.167 1.261) 3.873 7.733 ( -4.745 -0.819 0.147) 4.817 8.417 ( -7.315 -1.371 -5.620) 9.326 8.935 ( 3.179 0.775 2.352) 4.030 8.967 ( -6.551 -1.552 -5.237) 8.530 9.146 ( 4.753 1.041 -4.600) 6.696 9.580 ( 4.225 2.031 -3.396) 5.789 9.835 ( -0.386 2.618 -3.044) 4.033 9.903 ( -5.632 -5.886 0.460) 8.160 10.094 ( 4.737 4.141 5.990) 8.687 10.486 ( -14.636 -4.301 7.121) 16.835 10.992 ( 12.068 -1.134 2.418) 12.360 11.169 ( -7.465 3.162 8.345) 11.635 11.307 ( -5.970 -4.933 2.401) 8.108 11.470 ( 11.779 3.141 -4.224) 12.901 11.601 ( 10.579 1.201 3.424) 11.184 11.774 ( 1.770 -1.428 -5.024) 5.515 12.093 ( -7.869 3.152 -4.563) 9.627 12.409 ( -0.162 -2.512 9.215) 9.553 12.681 ( 0.822 0.871 -2.098) 2.415 13.187 ( 0.084 3.473 -19.271) 19.582 13.506 ( -0.731 -2.063 10.614) 10.837 15.725 ( -0.596 -0.288 2.354) 2.445 16.301 ( 3.747 2.657 -1.086) 4.720 16.356 ( -0.136 -3.800 -3.047) 4.873 16.729 ( 5.671 0.663 8.407) 10.162 ======================= Grid point 549 (269/282) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -2.497 6.034 8.589) 10.790 2.555 ( 4.151 -4.342 2.616) 6.552 2.666 ( -1.560 -0.945 4.041) 4.434 2.755 ( 6.348 4.388 -3.589) 8.511 3.014 ( -1.764 -5.886 7.140) 9.420 3.266 ( -4.977 2.950 -1.190) 5.907 3.732 ( 1.503 3.571 2.078) 4.397 3.881 ( -2.122 0.425 -3.595) 4.197 3.906 ( -2.686 0.450 -4.644) 5.384 3.979 ( -0.037 -4.178 7.491) 8.578 4.432 ( 4.002 0.122 -1.674) 4.340 4.879 ( -0.297 2.826 -7.874) 8.371 4.965 ( -3.670 -3.277 0.778) 4.981 5.196 ( -4.480 -5.926 6.860) 10.111 5.454 ( 0.688 10.822 -4.897) 11.898 5.631 ( -7.258 8.689 -4.271) 12.100 6.350 ( 1.073 -9.264 0.720) 9.354 6.635 ( 3.443 -3.914 0.488) 5.236 6.770 ( -6.201 8.544 -3.386) 11.086 7.072 ( -2.697 -6.968 -0.184) 7.474 7.335 ( 4.648 -0.927 -4.927) 6.836 7.627 ( 0.364 1.797 1.477) 2.354 7.699 ( 0.663 -0.308 1.870) 2.007 7.730 ( 3.384 -2.503 0.441) 4.232 8.343 ( -3.266 -4.422 1.490) 5.696 8.812 ( -10.191 -3.363 -3.787) 11.380 9.003 ( 0.698 1.765 7.128) 7.376 9.153 ( 1.397 0.685 -1.295) 2.025 9.570 ( 1.033 3.728 -0.817) 3.953 9.789 ( -2.145 -1.206 2.496) 3.505 9.892 ( -2.098 -8.984 -4.470) 10.251 10.178 ( 3.701 9.299 7.489) 12.500 10.436 ( -4.468 -7.858 0.620) 9.061 11.066 ( -3.702 5.975 3.012) 7.647 11.091 ( -2.752 -1.071 -2.699) 4.001 11.233 ( -7.393 -4.054 -3.344) 9.070 11.593 ( 13.062 5.988 -4.752) 15.135 11.628 ( -2.246 4.823 -14.185) 15.150 11.816 ( 5.682 -1.528 3.371) 6.781 12.072 ( 8.145 -0.825 3.676) 8.974 12.465 ( -3.678 -1.667 3.174) 5.136 12.652 ( -1.000 1.196 -1.232) 1.987 13.033 ( 4.784 0.590 -12.724) 13.606 13.625 ( -2.099 -0.518 14.931) 15.087 15.698 ( -7.296 0.726 6.115) 9.548 16.201 ( -4.811 -0.529 -6.989) 8.501 16.494 ( 13.939 0.532 -4.758) 14.738 16.819 ( 0.920 3.113 3.504) 4.776 ======================= Grid point 550 (270/282) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -7.072 6.801 16.624) 19.304 2.644 ( -3.999 -6.456 6.301) 9.869 2.743 ( 2.841 6.821 0.158) 7.390 2.807 ( 6.601 0.534 5.047) 8.327 3.098 ( -0.515 -1.924 0.100) 1.994 3.162 ( -3.320 -1.522 2.653) 4.514 3.672 ( 0.495 2.760 -11.298) 11.641 3.826 ( -4.741 0.025 1.256) 4.905 3.856 ( 1.892 2.614 0.722) 3.307 4.079 ( -1.897 -4.059 8.324) 9.454 4.451 ( 0.935 2.228 -0.222) 2.427 4.743 ( -4.256 3.291 -6.232) 8.233 4.898 ( -6.343 -2.756 -3.122) 7.588 5.201 ( -7.975 -7.182 1.904) 10.900 5.293 ( -0.727 13.216 -9.115) 16.071 5.412 ( -7.969 6.969 0.001) 10.587 6.367 ( -3.684 -0.965 -1.744) 4.189 6.542 ( -4.234 12.004 -3.160) 13.115 6.811 ( 4.226 -13.074 3.450) 14.167 7.108 ( -0.566 -7.435 0.091) 7.457 7.402 ( 8.988 -1.924 -5.058) 10.491 7.659 ( 1.722 -2.691 1.118) 3.385 7.751 ( 1.927 -1.874 2.757) 3.850 7.809 ( 5.497 0.126 -2.003) 5.852 8.376 ( -3.331 -6.436 4.240) 8.396 8.648 ( -10.833 -5.328 -2.778) 12.388 9.068 ( 0.689 2.739 8.364) 8.828 9.181 ( 0.768 -0.755 4.660) 4.783 9.574 ( 0.383 0.295 2.832) 2.873 9.837 ( -3.450 -5.374 9.448) 11.403 9.898 ( 2.542 -8.018 -6.741) 10.779 10.205 ( 1.154 11.095 6.177) 12.751 10.429 ( -1.429 -7.005 -6.327) 9.547 10.962 ( -11.027 -0.558 4.469) 11.911 11.006 ( -0.337 7.188 -4.880) 8.695 11.106 ( -4.589 -2.973 -7.573) 9.340 11.342 ( -4.446 4.863 -19.720) 20.792 11.699 ( 12.425 7.914 -3.604) 15.166 11.866 ( -0.018 3.997 -2.831) 4.898 12.283 ( 9.832 -0.475 2.187) 10.083 12.442 ( -1.107 -5.784 -0.226) 5.893 12.631 ( 0.726 0.231 1.537) 1.716 13.082 ( 9.614 -1.138 -3.459) 10.281 13.722 ( -5.214 0.678 15.293) 16.172 15.616 ( -9.615 4.459 7.345) 12.895 16.042 ( -5.764 -0.063 -10.022) 11.562 16.624 ( 12.200 3.605 -6.748) 14.400 16.808 ( -0.283 3.975 0.600) 4.030 ======================= Grid point 551 (271/282) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -3.751 5.914 20.288) 21.463 2.671 ( -6.172 3.575 10.625) 12.798 2.729 ( 1.472 -1.056 -2.248) 2.887 2.899 ( 1.462 1.053 1.316) 2.231 3.018 ( -4.450 0.291 -0.139) 4.462 3.230 ( 2.665 -0.895 -3.708) 4.653 3.582 ( 1.920 -1.528 -4.797) 5.389 3.751 ( -5.334 0.048 0.804) 5.394 3.911 ( 4.667 3.651 3.515) 6.890 4.137 ( -3.389 -2.191 6.782) 7.892 4.420 ( 0.187 3.343 -3.420) 4.787 4.605 ( -5.919 4.545 1.296) 7.574 4.761 ( -8.492 -0.249 -3.422) 9.159 5.007 ( -5.368 6.519 -15.131) 17.328 5.180 ( -0.785 0.092 -2.496) 2.619 5.308 ( -6.302 0.587 4.711) 7.890 6.261 ( -4.942 5.860 -0.340) 7.674 6.358 ( -3.390 10.955 -4.322) 12.256 7.025 ( 3.500 -14.397 3.987) 15.343 7.159 ( 0.131 -7.201 -0.603) 7.227 7.521 ( 9.802 -1.238 -3.567) 10.504 7.735 ( 2.061 -6.187 0.890) 6.581 7.814 ( 2.831 1.839 -0.360) 3.395 7.851 ( 1.815 -3.323 -0.932) 3.899 8.391 ( -5.007 -6.442 2.031) 8.409 8.525 ( -8.168 -5.975 -1.536) 10.236 9.170 ( 3.707 -0.628 7.533) 8.419 9.271 ( 1.524 -0.379 7.927) 8.081 9.630 ( -0.890 -3.407 6.841) 7.694 9.897 ( -5.862 -8.479 6.644) 12.263 9.996 ( 5.897 -4.354 0.538) 7.350 10.168 ( -0.935 10.309 3.660) 10.980 10.369 ( -0.011 -2.235 -9.877) 10.127 10.806 ( -6.585 4.220 -8.529) 11.572 10.895 ( -5.173 2.313 2.434) 6.167 11.003 ( -2.006 -1.769 -6.528) 7.054 11.115 ( -1.815 0.297 -11.095) 11.247 11.648 ( -6.859 4.995 -9.760) 12.933 11.851 ( 14.938 9.115 -5.008) 18.201 12.429 ( 6.233 -2.081 4.382) 7.899 12.446 ( -1.100 0.845 -2.865) 3.183 12.745 ( 4.831 -5.675 4.200) 8.555 13.223 ( 11.334 0.080 -2.390) 11.583 13.741 ( -9.629 1.783 13.378) 16.579 15.490 ( -8.928 8.229 6.838) 13.935 15.820 ( -7.064 4.001 -12.015) 14.501 16.685 ( 7.898 4.516 -4.526) 10.161 16.787 ( 1.284 3.015 -0.711) 3.353 ======================= Grid point 552 (272/282) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.544 6.850 16.336) 17.723 2.630 ( -6.336 6.612 8.704) 12.634 2.737 ( 3.181 -0.841 -4.185) 5.323 2.879 ( -2.021 0.254 -3.345) 3.917 2.993 ( -3.063 -1.458 6.353) 7.202 3.151 ( 0.802 1.251 -12.544) 12.632 3.645 ( 1.390 -3.535 3.357) 5.070 3.703 ( -1.652 -1.601 -0.222) 2.311 4.003 ( 5.180 4.328 5.363) 8.621 4.146 ( -3.298 0.362 3.802) 5.046 4.361 ( 2.073 2.623 -4.866) 5.904 4.519 ( -6.513 5.441 6.577) 10.737 4.601 ( -9.462 2.182 2.393) 10.001 4.732 ( -0.131 8.210 -19.021) 20.718 5.185 ( 2.889 -3.426 -2.556) 5.160 5.273 ( -5.422 -3.672 3.268) 7.319 6.145 ( -3.216 8.475 1.394) 9.171 6.192 ( -2.318 9.732 -3.993) 10.772 7.187 ( 0.720 -10.800 2.078) 11.021 7.212 ( 0.510 -7.734 -1.101) 7.828 7.630 ( 7.309 1.348 -1.338) 7.552 7.768 ( -0.502 3.107 -2.377) 3.944 7.853 ( 1.727 -6.747 2.278) 7.327 7.908 ( 0.662 -6.741 -0.767) 6.817 8.390 ( -2.356 -6.201 0.387) 6.645 8.452 ( -5.390 -5.096 -0.980) 7.482 9.314 ( 2.707 -2.477 6.962) 7.870 9.361 ( 1.834 0.939 4.386) 4.846 9.733 ( 0.517 -6.323 7.646) 9.935 9.927 ( -4.854 -10.204 0.659) 11.319 10.034 ( 0.559 9.867 1.477) 9.992 10.119 ( -3.919 4.436 1.056) 6.012 10.338 ( 5.997 -1.147 -2.811) 6.722 10.600 ( -3.573 -1.238 -11.962) 12.545 10.879 ( -1.639 0.466 5.497) 5.755 10.950 ( 1.196 -0.880 -5.138) 5.348 11.036 ( -1.778 -1.853 -0.180) 2.575 11.374 ( -8.087 3.437 -13.403) 16.027 11.985 ( 15.446 8.902 -2.236) 17.967 12.337 ( -7.579 4.375 -0.979) 8.806 12.612 ( 9.633 -2.615 2.799) 10.367 12.847 ( -2.145 -5.499 1.644) 6.127 13.374 ( 13.790 1.517 -4.663) 14.636 13.665 ( -13.333 2.404 10.626) 17.218 15.376 ( -4.996 9.385 6.738) 12.587 15.555 ( -5.542 7.830 -11.027) 14.616 16.721 ( 4.642 3.471 -1.322) 5.944 16.775 ( 0.786 2.811 -0.948) 3.069 ======================= Grid point 553 (273/282) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -3.295 7.381 -4.000) 9.018 2.525 ( 3.295 7.381 4.000) 9.018 2.791 ( 3.002 0.031 -8.508) 9.022 2.791 ( -3.002 0.031 8.508) 9.022 3.051 ( 1.586 -0.409 -9.757) 9.893 3.051 ( -1.586 -0.409 9.757) 9.893 3.705 ( -0.212 -2.895 -1.741) 3.384 3.705 ( 0.212 -2.895 1.741) 3.384 4.085 ( -3.276 3.779 -3.662) 6.199 4.085 ( 3.276 3.779 3.662) 6.199 4.398 ( -5.469 2.077 -3.810) 6.982 4.398 ( 5.469 2.077 3.810) 6.982 4.543 ( 7.559 6.261 -17.917) 20.429 4.543 ( -7.559 6.261 17.917) 20.429 5.258 ( 2.527 -5.495 -2.916) 6.714 5.258 ( -2.527 -5.495 2.916) 6.714 6.071 ( 0.379 8.462 -2.632) 8.870 6.071 ( -0.379 8.462 2.632) 8.870 7.269 ( 1.424 -7.549 -1.635) 7.854 7.269 ( -1.424 -7.549 1.635) 7.854 7.690 ( -3.599 3.956 -0.576) 5.379 7.690 ( 3.599 3.956 0.576) 5.379 7.952 ( 0.144 -7.592 -2.447) 7.978 7.952 ( -0.144 -7.592 2.447) 7.978 8.429 ( -1.288 -4.963 -0.585) 5.160 8.429 ( 1.288 -4.963 0.585) 5.160 9.384 ( 0.022 1.043 -1.395) 1.742 9.384 ( -0.022 1.043 1.395) 1.742 9.895 ( 0.972 -5.614 -8.864) 10.537 9.895 ( -0.972 -5.614 8.864) 10.537 10.005 ( 2.317 4.199 -5.638) 7.401 10.005 ( -2.317 4.199 5.638) 7.401 10.468 ( -1.217 -1.544 -11.814) 11.976 10.468 ( 1.217 -1.544 11.814) 11.976 10.925 ( 4.857 -2.905 -9.731) 11.257 10.925 ( -4.857 -2.905 9.731) 11.257 11.125 ( -3.500 0.998 -11.746) 12.297 11.125 ( 3.500 0.998 11.746) 12.297 12.129 ( -13.466 7.507 0.911) 15.444 12.129 ( 13.466 7.507 -0.911) 15.444 12.798 ( -8.686 -3.504 -0.589) 9.385 12.798 ( 8.686 -3.504 0.589) 9.385 13.520 ( 13.093 2.100 -7.785) 15.376 13.520 ( -13.093 2.100 7.785) 15.376 15.346 ( -0.992 8.167 -7.835) 11.361 15.346 ( 0.992 8.167 7.835) 11.361 16.741 ( 0.895 3.079 -2.219) 3.899 16.741 ( -0.895 3.079 2.219) 3.899 ======================= Grid point 559 (274/282) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 4.943 0.000 6.142) 7.885 2.502 ( -6.307 -0.000 4.501) 7.748 2.656 ( 2.499 0.000 3.242) 4.093 2.814 ( 11.890 0.000 -7.836) 14.240 2.948 ( -6.900 -0.000 12.247) 14.056 3.290 ( -5.698 -0.000 -1.409) 5.870 3.768 ( 1.945 0.000 2.933) 3.519 3.886 ( -6.904 -0.000 6.817) 9.702 3.906 ( 3.034 0.000 -14.510) 14.823 3.941 ( -1.565 -0.000 7.285) 7.451 4.431 ( 5.701 0.000 -3.202) 6.538 4.915 ( 3.632 0.000 -12.570) 13.085 4.929 ( -5.515 -0.000 2.910) 6.236 5.145 ( -5.680 -0.000 9.257) 10.860 5.547 ( 0.371 0.000 -4.456) 4.471 5.713 ( -7.703 -0.000 -4.569) 8.956 6.262 ( 2.267 0.000 2.732) 3.551 6.588 ( 4.314 0.000 -1.089) 4.449 6.908 ( -5.110 -0.000 -1.437) 5.308 6.956 ( -5.525 -0.000 -2.658) 6.131 7.329 ( 4.478 0.000 -4.607) 6.425 7.666 ( -1.237 -0.000 3.163) 3.396 7.666 ( -2.769 -0.000 0.821) 2.888 7.716 ( 7.058 0.000 0.028) 7.058 8.308 ( -3.230 -0.000 0.728) 3.311 8.785 ( -9.958 -0.000 -4.474) 10.916 9.014 ( 0.302 0.000 7.978) 7.983 9.159 ( 1.555 0.000 -2.218) 2.709 9.624 ( 1.970 0.000 -1.749) 2.634 9.781 ( -5.770 -0.000 4.750) 7.474 9.795 ( -0.730 -0.000 -6.731) 6.770 10.253 ( 0.403 0.000 8.912) 8.921 10.376 ( -1.498 -0.000 0.964) 1.781 11.077 ( 0.597 0.000 -4.380) 4.420 11.135 ( -8.762 -0.000 5.218) 10.198 11.179 ( -4.468 -0.000 -3.284) 5.545 11.641 ( 13.109 0.000 -3.971) 13.697 11.668 ( -2.573 -0.000 -16.142) 16.345 11.801 ( 8.103 0.000 5.202) 9.630 12.066 ( 6.651 0.000 2.832) 7.229 12.451 ( -4.525 -0.000 4.331) 6.264 12.662 ( -0.912 -0.000 -1.514) 1.767 13.041 ( 5.032 0.000 -15.624) 16.415 13.619 ( -2.287 -0.000 16.281) 16.441 15.704 ( -6.518 -0.000 6.692) 9.341 16.197 ( -5.138 -0.000 -7.130) 8.788 16.498 ( 15.125 0.000 -4.117) 15.676 16.844 ( 1.070 0.000 3.751) 3.900 ======================= Grid point 560 (275/282) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -5.456 7.091 12.963) 15.750 2.530 ( -3.921 -7.440 8.337) 11.842 2.809 ( 3.498 0.412 5.328) 6.387 2.866 ( 8.050 7.015 -3.103) 11.119 3.017 ( 1.064 -6.242 7.820) 10.062 3.165 ( -7.861 0.479 -0.724) 7.908 3.700 ( 1.123 0.873 -16.472) 16.534 3.830 ( -7.107 0.251 4.372) 8.348 3.904 ( 2.564 2.960 3.828) 5.476 4.016 ( -1.094 -3.478 8.107) 8.889 4.471 ( 4.099 0.488 -4.013) 5.757 4.793 ( -2.270 2.878 -9.361) 10.053 4.855 ( -5.560 -2.561 -2.848) 6.751 5.123 ( -8.781 -2.734 5.305) 10.617 5.452 ( -2.207 6.208 -7.197) 9.758 5.510 ( -10.056 4.037 -2.188) 11.055 6.347 ( 2.056 -0.767 3.423) 4.066 6.641 ( 2.093 -6.448 -0.010) 6.779 6.748 ( -3.757 13.234 -2.405) 13.965 6.952 ( -2.124 -12.374 -1.259) 12.618 7.382 ( 8.024 -0.599 -4.509) 9.223 7.643 ( -1.082 0.128 1.661) 1.986 7.709 ( 1.240 -2.318 2.429) 3.579 7.823 ( 7.529 0.717 -2.174) 7.870 8.309 ( -1.872 -2.141 3.769) 4.722 8.590 ( -10.882 -1.989 -3.472) 11.595 9.097 ( -1.645 0.959 11.489) 11.646 9.170 ( 0.916 -0.418 1.525) 1.827 9.610 ( 0.639 3.605 0.338) 3.677 9.750 ( -4.658 -5.721 1.892) 7.616 9.803 ( 2.874 -2.962 0.148) 4.129 10.276 ( -4.388 -1.631 5.947) 7.568 10.409 ( 3.665 3.719 -1.712) 5.495 10.967 ( -12.473 0.482 4.703) 13.338 11.047 ( -0.921 -1.659 -7.971) 8.193 11.092 ( -1.681 1.785 -5.242) 5.788 11.405 ( -4.752 2.487 -20.968) 21.643 11.786 ( 11.598 3.023 -3.511) 12.489 11.910 ( 2.736 1.551 -1.805) 3.626 12.277 ( 11.788 -0.171 3.764) 12.375 12.369 ( -4.655 -2.943 -0.163) 5.510 12.636 ( -1.113 0.254 0.440) 1.223 13.076 ( 11.686 0.036 -5.553) 12.938 13.726 ( -5.344 0.043 16.272) 17.127 15.668 ( -7.683 1.952 9.108) 12.074 16.041 ( -4.794 -0.086 -9.240) 10.410 16.662 ( 13.162 1.243 -6.631) 14.791 16.849 ( -1.225 1.350 -0.015) 1.822 ======================= Grid point 561 (276/282) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -2.753 5.970 17.702) 18.884 2.626 ( -1.928 -5.413 9.301) 10.933 2.783 ( -5.127 4.105 4.689) 8.070 2.927 ( 4.922 1.589 -4.377) 6.775 3.021 ( -6.789 0.890 0.242) 6.851 3.199 ( 4.274 -2.903 1.973) 5.531 3.563 ( 2.248 -0.851 -12.210) 12.444 3.753 ( -7.004 0.170 2.715) 7.514 3.970 ( 3.371 3.760 5.708) 7.621 4.095 ( -2.306 -3.060 7.532) 8.450 4.456 ( 4.500 1.469 -11.245) 12.201 4.665 ( -3.967 3.054 -0.346) 5.018 4.747 ( -7.199 -1.366 -2.283) 7.674 5.009 ( -8.065 -2.550 -6.353) 10.579 5.275 ( -3.057 8.230 -4.337) 9.792 5.352 ( -7.439 3.473 1.819) 8.409 6.354 ( -0.736 7.148 1.893) 7.431 6.558 ( -2.794 14.619 -3.546) 15.301 6.791 ( 2.857 -15.279 3.648) 15.966 7.013 ( -1.223 -12.075 -1.252) 12.202 7.490 ( 9.262 -2.167 -2.997) 9.973 7.661 ( -0.187 -3.060 1.564) 3.441 7.774 ( 2.321 -2.997 0.492) 3.823 7.875 ( 3.962 2.262 -3.121) 5.528 8.320 ( -3.657 -2.623 2.465) 5.132 8.441 ( -7.858 -4.501 -1.897) 9.252 9.173 ( 1.610 1.073 6.583) 6.861 9.247 ( 1.045 -2.553 7.904) 8.371 9.612 ( 0.149 1.019 2.841) 3.022 9.763 ( -3.548 -7.924 1.320) 8.782 9.914 ( 3.476 -4.546 6.616) 8.748 10.288 ( -1.779 -3.199 2.125) 4.233 10.360 ( -0.252 8.838 -2.837) 9.286 10.825 ( -11.014 -0.493 1.510) 11.128 10.958 ( -1.364 0.145 -8.256) 8.369 10.998 ( -0.733 4.026 -4.864) 6.357 11.140 ( -1.855 2.128 -14.925) 15.189 11.712 ( -8.653 3.042 -10.880) 14.230 11.963 ( 14.143 5.122 -4.490) 15.698 12.394 ( 3.483 -2.056 6.473) 7.633 12.451 ( 3.500 -0.289 -2.083) 4.084 12.674 ( 3.050 -3.173 3.545) 5.651 13.231 ( 13.674 0.711 -3.436) 14.117 13.760 ( -9.621 0.675 13.968) 16.975 15.608 ( -7.827 6.404 9.276) 13.723 15.868 ( -4.207 2.071 -10.589) 11.581 16.743 ( 7.923 2.860 -5.985) 10.333 16.817 ( -0.006 0.880 -1.465) 1.709 ======================= Grid point 562 (277/282) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 0.442 5.932 16.918) 17.933 2.699 ( -3.488 0.905 7.419) 8.248 2.735 ( -1.150 1.628 1.832) 2.707 2.892 ( -0.207 1.664 -6.936) 7.136 2.966 ( -3.497 -2.001 5.528) 6.841 3.164 ( 0.575 0.403 -13.952) 13.969 3.590 ( 3.518 -3.316 0.761) 4.894 3.684 ( -4.578 -0.810 1.732) 4.961 4.057 ( 3.436 2.805 5.652) 7.185 4.139 ( -2.638 -1.009 5.751) 6.407 4.395 ( 7.105 1.618 -13.574) 15.406 4.587 ( -8.300 2.468 1.131) 8.732 4.641 ( -6.082 3.009 8.100) 10.566 4.819 ( -2.607 2.354 -13.896) 14.333 5.185 ( 1.391 3.379 -2.453) 4.401 5.256 ( -6.214 1.197 3.220) 7.101 6.286 ( -1.249 10.502 2.554) 10.880 6.372 ( -1.985 13.729 -4.137) 14.475 6.986 ( 1.870 -14.958 3.259) 15.423 7.071 ( -0.975 -11.176 -1.596) 11.332 7.621 ( 7.417 -2.744 -1.071) 7.980 7.711 ( 0.062 -6.310 0.885) 6.372 7.825 ( 1.353 -3.112 -0.861) 3.501 7.855 ( -0.052 3.065 -1.708) 3.509 8.309 ( -1.802 -3.869 0.455) 4.293 8.371 ( -5.070 -5.013 -0.660) 7.160 9.275 ( 2.907 -2.166 5.785) 6.827 9.351 ( 1.368 -2.265 3.574) 4.447 9.661 ( 0.453 -2.763 4.977) 5.710 9.777 ( -3.205 -8.224 -0.874) 8.869 10.075 ( 0.612 -3.498 10.645) 11.221 10.237 ( -0.578 7.639 -5.748) 9.577 10.318 ( 1.792 0.495 2.286) 2.947 10.616 ( -7.504 2.898 -10.819) 13.482 10.899 ( -1.526 1.807 3.056) 3.864 10.945 ( 0.386 0.497 -2.594) 2.669 11.038 ( 2.132 1.035 -3.798) 4.477 11.417 ( -9.751 2.072 -13.652) 16.904 12.102 ( 13.029 6.083 -1.295) 14.438 12.393 ( -4.901 2.902 -1.542) 5.901 12.569 ( 7.830 -2.806 4.360) 9.391 12.767 ( -0.333 -4.597 1.211) 4.766 13.399 ( 14.729 1.596 -4.966) 15.625 13.696 ( -13.368 1.495 10.797) 17.249 15.528 ( -5.503 9.555 8.764) 14.085 15.673 ( -2.682 6.850 -10.811) 13.077 16.765 ( 3.220 2.185 -1.537) 4.184 16.805 ( 1.177 0.955 -2.353) 2.799 ======================= Grid point 563 (278/282) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -2.551 6.925 -3.302) 8.085 2.639 ( 2.551 6.925 3.302) 8.085 2.787 ( 2.821 -0.364 -11.413) 11.762 2.787 ( -2.821 -0.364 11.413) 11.762 3.040 ( 1.665 -1.098 -12.862) 13.016 3.040 ( -1.665 -1.098 12.862) 13.016 3.661 ( 0.301 -2.679 -2.021) 3.370 3.661 ( -0.301 -2.679 2.021) 3.370 4.123 ( -2.393 1.414 -1.697) 3.257 4.123 ( 2.393 1.414 1.697) 3.257 4.433 ( -1.911 2.067 -1.446) 3.165 4.433 ( 1.911 2.067 1.446) 3.165 4.648 ( 4.818 6.287 -16.284) 18.108 4.648 ( -4.818 6.287 16.284) 18.108 5.203 ( 4.211 -1.156 -5.282) 6.853 5.203 ( -4.211 -1.156 5.282) 6.853 6.220 ( 0.056 11.168 -3.493) 11.702 6.220 ( -0.056 11.168 3.493) 11.702 7.128 ( -0.168 -10.986 -2.071) 11.181 7.128 ( 0.168 -10.986 2.071) 11.181 7.724 ( -3.826 -1.110 -1.035) 4.116 7.724 ( 3.826 -1.110 1.035) 4.116 7.847 ( 0.308 -4.026 -2.329) 4.661 7.847 ( -0.308 -4.026 2.329) 4.661 8.349 ( -1.925 -5.057 -0.461) 5.431 8.349 ( 1.925 -5.057 0.461) 5.431 9.375 ( -0.668 -2.129 -3.145) 3.856 9.375 ( 0.668 -2.129 3.145) 3.856 9.768 ( 2.859 -7.443 -9.214) 12.185 9.768 ( -2.859 -7.443 9.214) 12.185 10.132 ( 1.281 7.291 -4.667) 8.751 10.132 ( -1.281 7.291 4.667) 8.751 10.421 ( -5.883 -2.178 -5.554) 8.379 10.421 ( 5.883 -2.178 5.554) 8.379 10.910 ( 3.051 0.460 -7.363) 7.983 10.910 ( -3.051 0.460 7.363) 7.983 11.147 ( -5.471 1.521 -11.934) 13.216 11.147 ( 5.471 1.521 11.934) 13.216 12.233 ( -10.385 5.759 -0.299) 11.879 12.233 ( 10.385 5.759 0.299) 11.879 12.740 ( -6.626 -3.783 -1.630) 7.802 12.740 ( 6.626 -3.783 1.630) 7.802 13.553 ( 13.400 1.994 -7.650) 15.559 13.553 ( -13.400 1.994 7.650) 15.559 15.489 ( 0.933 9.883 -9.568) 13.788 15.489 ( -0.933 9.883 9.568) 13.788 16.781 ( 1.104 1.872 -2.880) 3.608 16.781 ( -1.104 1.872 2.880) 3.608 ======================= Grid point 571 (279/282) ======================= q-point: ( 0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -2.592 -0.000 15.041) 15.262 2.550 ( -1.373 -0.000 12.253) 12.330 2.818 ( -8.294 -0.000 8.232) 11.686 2.933 ( 7.590 0.000 -12.240) 14.402 3.041 ( -8.376 -0.000 1.944) 8.599 3.166 ( 6.110 0.000 5.709) 8.362 3.557 ( 2.407 0.000 -14.997) 15.189 3.754 ( -7.608 -0.000 3.421) 8.342 4.012 ( 2.338 0.000 6.556) 6.961 4.059 ( -1.476 -0.000 7.583) 7.725 4.467 ( 5.594 0.000 -13.029) 14.179 4.694 ( -2.945 -0.000 -2.528) 3.882 4.730 ( -6.302 -0.000 -1.923) 6.589 4.986 ( -8.659 -0.000 -3.209) 9.235 5.363 ( -10.199 -0.000 3.039) 10.643 5.366 ( -2.529 -0.000 -7.285) 7.711 6.454 ( 3.664 0.000 6.244) 7.240 6.622 ( 0.215 0.000 0.821) 0.849 6.781 ( -2.913 -0.000 -2.584) 3.894 6.809 ( -0.997 -0.000 -2.571) 2.757 7.472 ( 8.102 0.000 -2.290) 8.420 7.638 ( -1.521 -0.000 1.933) 2.459 7.750 ( 3.623 0.000 -0.378) 3.642 7.893 ( 4.322 0.000 -3.150) 5.348 8.303 ( -2.852 -0.000 2.957) 4.108 8.403 ( -8.138 -0.000 -2.411) 8.487 9.201 ( -0.446 -0.000 11.502) 11.511 9.206 ( 1.740 0.000 2.575) 3.108 9.642 ( 2.083 0.000 -2.101) 2.959 9.680 ( -4.017 -0.000 3.543) 5.356 9.877 ( 2.472 0.000 8.300) 8.660 10.250 ( -1.830 -0.000 1.216) 2.197 10.448 ( -0.255 -0.000 -0.109) 0.278 10.814 ( -11.439 -0.000 1.659) 11.559 10.949 ( -0.753 -0.000 -5.910) 5.958 11.041 ( -0.120 -0.000 -5.924) 5.926 11.160 ( -2.202 -0.000 -17.501) 17.639 11.736 ( -9.634 -0.000 -11.325) 14.869 12.003 ( 13.731 0.000 -4.271) 14.380 12.376 ( 3.095 0.000 7.237) 7.871 12.446 ( 5.237 0.000 -1.112) 5.354 12.651 ( 2.027 0.000 2.722) 3.394 13.238 ( 14.331 0.000 -3.811) 14.829 13.764 ( -9.603 -0.000 14.272) 17.202 15.662 ( -7.323 -0.000 10.614) 12.895 15.883 ( -3.119 -0.000 -10.192) 10.659 16.767 ( 8.764 0.000 -7.047) 11.246 16.821 ( -1.344 -0.000 -1.422) 1.957 ======================= Grid point 573 (280/282) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.870 3.808 15.334) 15.823 2.682 ( 1.113 -2.110 7.980) 8.329 2.765 ( -7.564 1.324 8.089) 11.154 2.908 ( 4.198 -0.384 -11.337) 12.095 2.951 ( -6.107 0.508 4.577) 7.649 3.165 ( 0.188 -0.154 -13.846) 13.848 3.552 ( 4.955 -1.385 -0.876) 5.219 3.677 ( -6.243 -0.228 2.785) 6.840 4.093 ( 0.933 1.964 6.139) 6.513 4.120 ( -0.883 -1.479 6.330) 6.560 4.411 ( 8.638 0.542 -16.341) 18.492 4.605 ( -9.352 0.428 0.551) 9.378 4.674 ( -2.317 0.961 5.784) 6.304 4.826 ( -3.386 -0.368 -9.376) 9.976 5.251 ( -2.659 3.815 -0.762) 4.712 5.278 ( -4.778 0.501 0.246) 4.810 6.480 ( 1.419 14.390 4.355) 15.101 6.607 ( -1.981 16.291 -3.622) 16.806 6.739 ( 1.829 -16.341 3.615) 16.835 6.863 ( -1.671 -15.423 -2.905) 15.783 7.573 ( 5.468 -2.198 -0.429) 5.909 7.641 ( -1.379 -2.455 1.489) 3.185 7.803 ( 4.288 -0.356 -1.868) 4.691 7.892 ( -0.182 1.350 -2.059) 2.469 8.277 ( -2.455 -0.387 0.855) 2.628 8.308 ( -4.044 -2.875 -0.775) 5.022 9.260 ( 2.130 0.316 3.583) 4.180 9.304 ( 0.813 -2.975 3.988) 5.042 9.647 ( 1.098 0.584 0.838) 1.499 9.685 ( -2.608 -3.737 2.443) 5.171 10.022 ( 1.562 -2.204 11.872) 12.176 10.232 ( 0.292 -2.120 -5.677) 6.067 10.419 ( -1.320 6.091 4.386) 7.621 10.648 ( -7.129 0.508 -7.141) 10.103 10.913 ( -1.025 0.229 0.721) 1.274 10.969 ( -0.275 1.709 -4.749) 5.055 11.050 ( 3.675 0.332 -5.409) 6.548 11.437 ( -11.304 0.564 -13.075) 17.293 12.166 ( 11.391 2.124 -0.522) 11.599 12.425 ( -3.296 1.167 -2.465) 4.278 12.534 ( 6.863 -1.368 5.844) 9.118 12.716 ( 0.823 -1.832 0.803) 2.163 13.418 ( 15.056 0.672 -5.186) 15.938 13.711 ( -13.266 0.496 11.019) 17.252 15.643 ( -6.230 4.521 10.435) 12.967 15.747 ( -0.297 2.425 -10.440) 10.722 16.791 ( 1.632 1.233 -1.830) 2.745 16.806 ( 2.071 -0.590 -3.547) 4.149 ======================= Grid point 574 (281/282) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 3.144 3.029 -5.620) 7.117 2.721 ( -3.144 3.029 5.620) 7.117 2.791 ( 2.037 1.322 -16.416) 16.594 2.791 ( -2.037 1.322 16.416) 16.594 3.019 ( 0.961 -1.493 -14.805) 14.911 3.019 ( -0.961 -1.493 14.805) 14.911 3.627 ( 0.274 -1.607 -1.277) 2.071 3.627 ( -0.274 -1.607 1.277) 2.071 4.136 ( -0.805 0.437 -1.463) 1.726 4.136 ( 0.805 0.437 1.463) 1.726 4.457 ( 9.329 1.055 -5.058) 10.664 4.457 ( -9.329 1.055 5.058) 10.664 4.711 ( 1.748 1.940 -10.611) 10.927 4.711 ( -1.748 1.940 10.611) 10.927 5.219 ( 4.812 2.321 -6.998) 8.804 5.219 ( -4.812 2.321 6.998) 8.804 6.421 ( -0.684 15.014 -4.378) 15.654 6.421 ( 0.684 15.014 4.378) 15.654 6.927 ( -1.311 -15.142 -3.254) 15.544 6.927 ( 1.311 -15.142 3.254) 15.544 7.657 ( 0.308 -4.990 -1.217) 5.145 7.657 ( -0.308 -4.990 1.217) 5.145 7.843 ( -2.677 1.363 0.560) 3.056 7.843 ( 2.677 1.363 -0.560) 3.056 8.285 ( -1.013 -3.016 -0.544) 3.228 8.285 ( 1.013 -3.016 0.544) 3.228 9.331 ( -1.188 -2.924 -2.514) 4.035 9.331 ( 1.188 -2.924 2.514) 4.035 9.688 ( 3.807 -3.104 -6.791) 8.381 9.688 ( -3.807 -3.104 6.791) 8.381 10.164 ( 0.752 -1.718 -11.414) 11.567 10.164 ( -0.752 -1.718 11.414) 11.567 10.456 ( -2.720 5.202 -10.238) 11.801 10.456 ( 2.720 5.202 10.238) 11.801 10.921 ( 0.969 0.557 -4.229) 4.374 10.921 ( -0.969 0.557 4.229) 4.374 11.166 ( -7.701 0.780 -9.400) 12.177 11.166 ( 7.701 0.780 9.400) 12.177 12.301 ( -8.089 3.047 -1.454) 8.766 12.301 ( 8.089 3.047 1.454) 8.766 12.689 ( -5.245 -2.569 -2.477) 6.344 12.689 ( 5.245 -2.569 2.477) 6.344 13.578 ( 14.369 1.204 -7.736) 16.363 13.578 ( -14.369 1.204 7.736) 16.363 15.627 ( 2.957 7.121 -10.506) 13.032 15.627 ( -2.957 7.121 10.506) 13.032 16.797 ( 1.157 0.380 -2.906) 3.151 16.797 ( -1.157 0.380 2.906) 3.151 ======================= Grid point 585 (282/282) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 4.906 -0.000 -4.384) 6.580 2.738 ( -4.906 -0.000 4.384) 6.580 2.810 ( 0.292 -0.000 -14.843) 14.846 2.810 ( -0.292 -0.000 14.843) 14.846 3.005 ( 0.470 -0.000 -15.703) 15.710 3.005 ( -0.470 -0.000 15.703) 15.710 3.614 ( -4.841 -0.000 1.517) 5.073 3.614 ( 4.841 -0.000 -1.517) 5.073 4.139 ( -0.110 -0.000 -1.616) 1.620 4.139 ( 0.110 -0.000 1.616) 1.620 4.465 ( 12.073 -0.000 -6.024) 13.492 4.465 ( -12.073 0.000 6.024) 13.492 4.723 ( 0.647 -0.000 -7.979) 8.005 4.723 ( -0.647 -0.000 7.979) 8.005 5.242 ( 4.705 -0.000 -7.362) 8.737 5.242 ( -4.705 -0.000 7.362) 8.737 6.667 ( 0.681 0.000 -2.197) 2.300 6.667 ( -0.681 0.000 2.197) 2.300 6.679 ( -0.748 -0.000 -5.619) 5.669 6.679 ( 0.748 -0.000 5.619) 5.669 7.615 ( -2.172 -0.000 0.445) 2.217 7.615 ( 2.172 -0.000 -0.445) 2.217 7.856 ( -3.767 -0.000 0.467) 3.796 7.856 ( 3.767 -0.000 -0.467) 3.796 8.261 ( 0.253 -0.000 -0.831) 0.869 8.261 ( -0.253 -0.000 0.831) 0.869 9.305 ( -0.818 -0.000 -0.936) 1.243 9.305 ( 0.818 -0.000 0.936) 1.243 9.665 ( 4.155 -0.000 -5.659) 7.021 9.665 ( -4.155 -0.000 5.659) 7.021 10.144 ( -0.332 -0.000 -10.757) 10.762 10.144 ( 0.332 -0.000 10.757) 10.762 10.506 ( -2.244 -0.000 -7.514) 7.842 10.506 ( 2.244 -0.000 7.514) 7.842 10.924 ( 0.231 -0.000 -3.744) 3.751 10.924 ( -0.231 -0.000 3.744) 3.751 11.171 ( -9.296 -0.000 -7.316) 11.830 11.171 ( 9.296 -0.000 7.316) 11.830 12.325 ( -7.314 -0.000 -1.947) 7.569 12.325 ( 7.314 -0.000 1.947) 7.569 12.668 ( -4.752 -0.000 -2.818) 5.525 12.668 ( 4.752 -0.000 2.818) 5.525 13.588 ( 14.953 -0.000 -7.823) 16.876 13.588 ( -14.953 -0.000 7.823) 16.876 15.685 ( 4.004 0.000 -10.701) 11.426 15.685 ( -4.004 -0.000 10.701) 11.426 16.799 ( 1.177 -0.000 -2.646) 2.896 16.799 ( -1.177 -0.000 2.646) 2.896 =================== 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 3/48000 10.0 2464.778 3725.107 2292.332 -0.000 490.161 -0.000 3/48000 20.0 701.833 959.638 637.705 -0.000 1.017 -0.000 3/48000 30.0 259.705 337.776 233.712 -0.000 -22.597 -0.000 3/48000 40.0 136.793 170.455 127.281 -0.000 -18.245 -0.000 3/48000 50.0 85.839 103.892 83.621 -0.000 -14.098 -0.000 3/48000 60.0 59.405 70.551 60.478 -0.000 -11.060 -0.000 3/48000 70.0 43.822 51.398 46.301 -0.000 -8.830 -0.000 3/48000 80.0 33.875 39.385 36.861 -0.000 -7.176 -0.000 3/48000 90.0 27.161 31.372 30.235 -0.000 -5.937 -0.000 3/48000 100.0 22.431 25.771 25.406 -0.000 -4.998 -0.000 3/48000 110.0 18.979 21.705 21.780 -0.000 -4.277 -0.000 3/48000 120.0 16.383 18.660 18.989 -0.000 -3.715 -0.000 3/48000 130.0 14.378 16.316 16.792 -0.000 -3.270 -0.000 3/48000 140.0 12.796 14.471 15.030 -0.000 -2.913 -0.000 3/48000 150.0 11.521 12.987 13.592 -0.000 -2.621 -0.000 3/48000 160.0 10.476 11.773 12.400 -0.000 -2.380 -0.000 3/48000 170.0 9.605 10.765 11.399 -0.000 -2.178 -0.000 3/48000 180.0 8.870 9.915 10.548 -0.000 -2.007 -0.000 3/48000 190.0 8.242 9.191 9.816 -0.000 -1.860 -0.000 3/48000 200.0 7.700 8.566 9.181 -0.000 -1.734 -0.000 3/48000 210.0 7.226 8.023 8.624 -0.000 -1.623 -0.000 3/48000 220.0 6.810 7.545 8.133 -0.000 -1.526 -0.000 3/48000 230.0 6.441 7.123 7.696 -0.000 -1.440 -0.000 3/48000 240.0 6.111 6.747 7.306 -0.000 -1.363 -0.000 3/48000 250.0 5.815 6.410 6.954 -0.000 -1.295 -0.000 3/48000 260.0 5.547 6.107 6.635 -0.000 -1.233 -0.000 3/48000 270.0 5.304 5.831 6.346 -0.000 -1.177 -0.000 3/48000 280.0 5.083 5.581 6.082 -0.000 -1.125 -0.000 3/48000 290.0 4.880 5.351 5.839 -0.000 -1.079 -0.000 3/48000 300.0 4.693 5.141 5.616 -0.000 -1.036 -0.000 3/48000 310.0 4.520 4.947 5.410 -0.000 -0.996 -0.000 3/48000 320.0 4.361 4.768 5.219 -0.000 -0.960 -0.000 3/48000 330.0 4.212 4.601 5.041 -0.000 -0.926 -0.000 3/48000 340.0 4.074 4.447 4.876 -0.000 -0.895 -0.000 3/48000 350.0 3.945 4.302 4.721 -0.000 -0.865 -0.000 3/48000 360.0 3.824 4.168 4.576 -0.000 -0.838 -0.000 3/48000 370.0 3.711 4.041 4.440 -0.000 -0.812 -0.000 3/48000 380.0 3.604 3.923 4.312 -0.000 -0.788 -0.000 3/48000 390.0 3.503 3.811 4.192 -0.000 -0.766 -0.000 3/48000 400.0 3.408 3.706 4.078 -0.000 -0.744 -0.000 3/48000 410.0 3.319 3.606 3.971 -0.000 -0.724 -0.000 3/48000 420.0 3.234 3.512 3.869 -0.000 -0.705 -0.000 3/48000 430.0 3.153 3.423 3.772 -0.000 -0.687 -0.000 3/48000 440.0 3.077 3.338 3.681 -0.000 -0.670 -0.000 3/48000 450.0 3.004 3.258 3.593 -0.000 -0.654 -0.000 3/48000 460.0 2.934 3.181 3.510 -0.000 -0.638 -0.000 3/48000 470.0 2.868 3.109 3.431 -0.000 -0.624 -0.000 3/48000 480.0 2.805 3.039 3.355 -0.000 -0.610 -0.000 3/48000 490.0 2.745 2.973 3.283 -0.000 -0.596 -0.000 3/48000 500.0 2.687 2.909 3.214 -0.000 -0.583 -0.000 3/48000 510.0 2.631 2.848 3.147 -0.000 -0.571 -0.000 3/48000 520.0 2.578 2.790 3.084 -0.000 -0.559 -0.000 3/48000 530.0 2.527 2.734 3.023 -0.000 -0.548 -0.000 3/48000 540.0 2.479 2.681 2.964 -0.000 -0.537 -0.000 3/48000 550.0 2.432 2.629 2.908 -0.000 -0.527 -0.000 3/48000 560.0 2.386 2.580 2.854 -0.000 -0.517 -0.000 3/48000 570.0 2.343 2.532 2.801 -0.000 -0.507 -0.000 3/48000 580.0 2.301 2.486 2.751 -0.000 -0.498 -0.000 3/48000 590.0 2.260 2.442 2.703 -0.000 -0.489 -0.000 3/48000 600.0 2.221 2.399 2.656 -0.000 -0.481 -0.000 3/48000 610.0 2.184 2.358 2.611 -0.000 -0.472 -0.000 3/48000 620.0 2.147 2.318 2.567 -0.000 -0.464 -0.000 3/48000 630.0 2.112 2.280 2.525 -0.000 -0.457 -0.000 3/48000 640.0 2.078 2.243 2.484 -0.000 -0.449 -0.000 3/48000 650.0 2.045 2.207 2.445 -0.000 -0.442 -0.000 3/48000 660.0 2.013 2.172 2.407 -0.000 -0.435 -0.000 3/48000 670.0 1.982 2.139 2.370 -0.000 -0.428 -0.000 3/48000 680.0 1.952 2.106 2.334 -0.000 -0.422 -0.000 3/48000 690.0 1.923 2.074 2.299 -0.000 -0.415 -0.000 3/48000 700.0 1.895 2.044 2.265 -0.000 -0.409 -0.000 3/48000 710.0 1.868 2.014 2.233 -0.000 -0.403 -0.000 3/48000 720.0 1.841 1.985 2.201 -0.000 -0.397 -0.000 3/48000 730.0 1.815 1.957 2.170 -0.000 -0.392 -0.000 3/48000 740.0 1.790 1.930 2.140 -0.000 -0.386 -0.000 3/48000 750.0 1.766 1.903 2.111 -0.000 -0.381 -0.000 3/48000 760.0 1.742 1.877 2.082 -0.000 -0.376 -0.000 3/48000 770.0 1.719 1.852 2.054 -0.000 -0.371 -0.000 3/48000 780.0 1.696 1.828 2.028 -0.000 -0.366 -0.000 3/48000 790.0 1.674 1.804 2.001 -0.000 -0.361 -0.000 3/48000 800.0 1.653 1.781 1.976 -0.000 -0.356 -0.000 3/48000 810.0 1.632 1.758 1.951 -0.000 -0.352 -0.000 3/48000 820.0 1.612 1.736 1.927 -0.000 -0.348 -0.000 3/48000 830.0 1.592 1.715 1.903 -0.000 -0.343 -0.000 3/48000 840.0 1.573 1.694 1.880 -0.000 -0.339 -0.000 3/48000 850.0 1.554 1.674 1.857 -0.000 -0.335 -0.000 3/48000 860.0 1.536 1.654 1.835 -0.000 -0.331 -0.000 3/48000 870.0 1.518 1.634 1.814 -0.000 -0.327 -0.000 3/48000 880.0 1.500 1.615 1.793 -0.000 -0.323 -0.000 3/48000 890.0 1.483 1.597 1.772 -0.000 -0.320 -0.000 3/48000 900.0 1.466 1.579 1.752 -0.000 -0.316 -0.000 3/48000 910.0 1.450 1.561 1.733 -0.000 -0.312 -0.000 3/48000 920.0 1.434 1.544 1.714 -0.000 -0.309 -0.000 3/48000 930.0 1.418 1.527 1.695 -0.000 -0.305 -0.000 3/48000 940.0 1.403 1.510 1.677 -0.000 -0.302 -0.000 3/48000 950.0 1.388 1.494 1.659 -0.000 -0.299 -0.000 3/48000 960.0 1.373 1.478 1.641 -0.000 -0.296 -0.000 3/48000 970.0 1.359 1.463 1.624 -0.000 -0.293 -0.000 3/48000 980.0 1.345 1.448 1.607 -0.000 -0.290 -0.000 3/48000 990.0 1.331 1.433 1.591 -0.000 -0.287 -0.000 3/48000 1000.0 1.318 1.418 1.575 -0.000 -0.284 -0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:01:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|