----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:40:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.056149415386829 -3.285333985000000 0.000000000000000 b 5.056149415386829 3.285333985000000 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): *1 B 0.46433755594015 0.25836712362801 0.13545157151338 10.811 2 B 0.74163287637199 0.53566244405985 0.36454842848662 10.811 3 B 0.53566244405985 0.74163287637199 0.86454842848662 10.811 4 B 0.25836712362801 0.46433755594015 0.63545157151338 10.811 *5 S 0.72457299795355 0.12670702478603 0.06978448083609 32.065 6 S 0.87329297521397 0.27542700204645 0.43021551916391 32.065 *7 S 0.08324353228736 0.47190760729347 0.72147127836671 32.065 8 S 0.52809239270653 0.91675646771264 0.77852872163329 32.065 9 S 0.91675646771264 0.52809239270653 0.27852872163329 32.065 10 S 0.47190760729347 0.08324353228736 0.22147127836671 32.065 *11 S 0.55036681133677 0.22826044252638 0.60735539618724 32.065 12 S 0.77173955747362 0.44963318866323 0.89264460381276 32.065 13 S 0.44963318866323 0.77173955747362 0.39264460381276 32.065 14 S 0.22826044252638 0.55036681133677 0.10735539618724 32.065 15 S 0.12670702478603 0.72457299795355 0.56978448083609 32.065 16 S 0.27542700204645 0.87329297521397 0.93021551916391 32.065 *17 Sr 0.67510582425773 0.65010091383540 0.08678595776065 87.620 18 Sr 0.34989908616460 0.32489417574227 0.41321404223935 87.620 19 Sr 0.32489417574227 0.34989908616460 0.91321404223935 87.620 20 Sr 0.65010091383540 0.67510582425773 0.58678595776065 87.620 *21 Sr 0.01841884719075 0.98158115280925 0.25000000000000 87.620 22 Sr 0.98158115280925 0.01841884719074 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.112298830773659 0.000000000000000 0.000000000000000 b 0.000000000000000 6.570667970000001 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): *1 B 0.86135233978408 0.39701478384393 0.13545157151338 10.811 > 1 2 B 0.13864766021592 0.39701478384393 0.36454842848662 10.811 > 2 3 B 0.13864766021592 0.60298521615607 0.86454842848662 10.811 > 3 4 B 0.86135233978408 0.60298521615607 0.63545157151338 10.811 > 4 5 B 0.36135233978408 0.89701478384393 0.13545157151338 10.811 > 1 6 B 0.63864766021592 0.89701478384393 0.36454842848662 10.811 > 2 7 B 0.63864766021592 0.10298521615607 0.86454842848662 10.811 > 3 8 B 0.36135233978408 0.10298521615607 0.63545157151338 10.811 > 4 *9 S 0.92564001136979 0.20106701341624 0.06978448083609 32.065 > 5 10 S 0.07435998863021 0.20106701341624 0.43021551916391 32.065 > 6 *11 S 0.77757556979041 0.69433203750306 0.72147127836671 32.065 > 7 12 S 0.22242443020959 0.69433203750306 0.77852872163329 32.065 > 8 13 S 0.22242443020959 0.30566796249695 0.27852872163329 32.065 > 9 14 S 0.77757556979041 0.30566796249695 0.22147127836671 32.065 > 10 *15 S 0.88931362693157 0.33894681559480 0.60735539618724 32.065 > 11 16 S 0.11068637306843 0.33894681559480 0.89264460381276 32.065 > 12 17 S 0.11068637306843 0.66105318440520 0.39264460381276 32.065 > 13 18 S 0.88931362693157 0.66105318440520 0.10735539618724 32.065 > 14 19 S 0.92564001136979 0.79893298658376 0.56978448083609 32.065 > 15 20 S 0.07435998863021 0.79893298658376 0.93021551916391 32.065 > 16 21 S 0.42564001136979 0.70106701341624 0.06978448083609 32.065 > 5 22 S 0.57435998863021 0.70106701341624 0.43021551916391 32.065 > 6 23 S 0.27757556979041 0.19433203750305 0.72147127836671 32.065 > 7 24 S 0.72242443020959 0.19433203750305 0.77852872163329 32.065 > 8 25 S 0.72242443020959 0.80566796249694 0.27852872163329 32.065 > 9 26 S 0.27757556979041 0.80566796249694 0.22147127836671 32.065 > 10 27 S 0.38931362693157 0.83894681559480 0.60735539618724 32.065 > 11 28 S 0.61068637306843 0.83894681559480 0.89264460381276 32.065 > 12 29 S 0.61068637306843 0.16105318440520 0.39264460381276 32.065 > 13 30 S 0.38931362693157 0.16105318440520 0.10735539618724 32.065 > 14 31 S 0.42564001136979 0.29893298658376 0.56978448083609 32.065 > 15 32 S 0.57435998863021 0.29893298658376 0.93021551916391 32.065 > 16 *33 Sr 0.16260336904656 0.48749754478883 0.08678595776065 87.620 > 17 34 Sr 0.83739663095344 0.48749754478883 0.41321404223935 87.620 > 18 35 Sr 0.83739663095344 0.51250245521117 0.91321404223935 87.620 > 19 36 Sr 0.16260336904656 0.51250245521117 0.58678595776065 87.620 > 20 *37 Sr 0.00000000000000 0.98158115280925 0.25000000000000 87.620 > 21 38 Sr 0.00000000000000 0.01841884719074 0.75000000000000 87.620 > 22 39 Sr 0.66260336904656 0.98749754478883 0.08678595776065 87.620 > 17 40 Sr 0.33739663095344 0.98749754478883 0.41321404223935 87.620 > 18 41 Sr 0.33739663095344 0.01250245521117 0.91321404223935 87.620 > 19 42 Sr 0.66260336904656 0.01250245521117 0.58678595776065 87.620 > 20 43 Sr 0.50000000000000 0.48158115280926 0.25000000000000 87.620 > 21 44 Sr 0.50000000000000 0.51841884719075 0.75000000000000 87.620 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.112298830773659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141335940000001 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): *1 B 0.86135233978408 0.19850739192196 0.13545157151338 10.811 > 1 2 B 0.86135233978408 0.69850739192196 0.13545157151338 10.811 > 1 3 B 0.13864766021592 0.19850739192196 0.36454842848662 10.811 > 2 4 B 0.13864766021592 0.69850739192196 0.36454842848662 10.811 > 2 5 B 0.13864766021592 0.30149260807804 0.86454842848662 10.811 > 3 6 B 0.13864766021592 0.80149260807804 0.86454842848662 10.811 > 3 7 B 0.86135233978408 0.30149260807804 0.63545157151338 10.811 > 4 8 B 0.86135233978408 0.80149260807804 0.63545157151338 10.811 > 4 9 B 0.36135233978408 0.44850739192196 0.13545157151338 10.811 > 1 10 B 0.36135233978408 0.94850739192196 0.13545157151338 10.811 > 1 11 B 0.63864766021592 0.44850739192196 0.36454842848662 10.811 > 2 12 B 0.63864766021592 0.94850739192196 0.36454842848662 10.811 > 2 13 B 0.63864766021592 0.05149260807804 0.86454842848662 10.811 > 3 14 B 0.63864766021592 0.55149260807804 0.86454842848662 10.811 > 3 15 B 0.36135233978408 0.05149260807804 0.63545157151338 10.811 > 4 16 B 0.36135233978408 0.55149260807804 0.63545157151338 10.811 > 4 *17 S 0.92564001136979 0.10053350670812 0.06978448083609 32.065 > 5 18 S 0.92564001136979 0.60053350670812 0.06978448083609 32.065 > 5 19 S 0.07435998863021 0.10053350670812 0.43021551916391 32.065 > 6 20 S 0.07435998863021 0.60053350670812 0.43021551916391 32.065 > 6 *21 S 0.77757556979041 0.34716601875153 0.72147127836671 32.065 > 7 22 S 0.77757556979041 0.84716601875153 0.72147127836671 32.065 > 7 23 S 0.22242443020959 0.34716601875153 0.77852872163329 32.065 > 8 24 S 0.22242443020959 0.84716601875153 0.77852872163329 32.065 > 8 25 S 0.22242443020959 0.15283398124847 0.27852872163329 32.065 > 9 26 S 0.22242443020959 0.65283398124847 0.27852872163329 32.065 > 9 27 S 0.77757556979041 0.15283398124847 0.22147127836671 32.065 > 10 28 S 0.77757556979041 0.65283398124847 0.22147127836671 32.065 > 10 *29 S 0.88931362693157 0.16947340779740 0.60735539618724 32.065 > 11 30 S 0.88931362693157 0.66947340779740 0.60735539618724 32.065 > 11 31 S 0.11068637306843 0.16947340779740 0.89264460381276 32.065 > 12 32 S 0.11068637306843 0.66947340779740 0.89264460381276 32.065 > 12 33 S 0.11068637306843 0.33052659220260 0.39264460381276 32.065 > 13 34 S 0.11068637306843 0.83052659220260 0.39264460381276 32.065 > 13 35 S 0.88931362693157 0.33052659220260 0.10735539618724 32.065 > 14 36 S 0.88931362693157 0.83052659220260 0.10735539618724 32.065 > 14 37 S 0.92564001136979 0.39946649329188 0.56978448083609 32.065 > 15 38 S 0.92564001136979 0.89946649329188 0.56978448083609 32.065 > 15 39 S 0.07435998863021 0.39946649329188 0.93021551916391 32.065 > 16 40 S 0.07435998863021 0.89946649329188 0.93021551916391 32.065 > 16 41 S 0.42564001136979 0.35053350670812 0.06978448083609 32.065 > 5 42 S 0.42564001136979 0.85053350670812 0.06978448083609 32.065 > 5 43 S 0.57435998863021 0.35053350670812 0.43021551916391 32.065 > 6 44 S 0.57435998863021 0.85053350670812 0.43021551916391 32.065 > 6 45 S 0.27757556979041 0.09716601875153 0.72147127836671 32.065 > 7 46 S 0.27757556979041 0.59716601875153 0.72147127836671 32.065 > 7 47 S 0.72242443020959 0.09716601875153 0.77852872163329 32.065 > 8 48 S 0.72242443020959 0.59716601875153 0.77852872163329 32.065 > 8 49 S 0.72242443020959 0.40283398124847 0.27852872163329 32.065 > 9 50 S 0.72242443020959 0.90283398124847 0.27852872163329 32.065 > 9 51 S 0.27757556979041 0.40283398124847 0.22147127836671 32.065 > 10 52 S 0.27757556979041 0.90283398124847 0.22147127836671 32.065 > 10 53 S 0.38931362693157 0.41947340779740 0.60735539618724 32.065 > 11 54 S 0.38931362693157 0.91947340779740 0.60735539618724 32.065 > 11 55 S 0.61068637306843 0.41947340779740 0.89264460381276 32.065 > 12 56 S 0.61068637306843 0.91947340779740 0.89264460381276 32.065 > 12 57 S 0.61068637306843 0.08052659220260 0.39264460381276 32.065 > 13 58 S 0.61068637306843 0.58052659220260 0.39264460381276 32.065 > 13 59 S 0.38931362693157 0.08052659220260 0.10735539618724 32.065 > 14 60 S 0.38931362693157 0.58052659220260 0.10735539618724 32.065 > 14 61 S 0.42564001136979 0.14946649329188 0.56978448083609 32.065 > 15 62 S 0.42564001136979 0.64946649329188 0.56978448083609 32.065 > 15 63 S 0.57435998863021 0.14946649329188 0.93021551916391 32.065 > 16 64 S 0.57435998863021 0.64946649329188 0.93021551916391 32.065 > 16 *65 Sr 0.16260336904656 0.24374877239442 0.08678595776065 87.620 > 17 66 Sr 0.16260336904656 0.74374877239442 0.08678595776065 87.620 > 17 67 Sr 0.83739663095344 0.24374877239442 0.41321404223935 87.620 > 18 68 Sr 0.83739663095344 0.74374877239442 0.41321404223935 87.620 > 18 69 Sr 0.83739663095344 0.25625122760558 0.91321404223935 87.620 > 19 70 Sr 0.83739663095344 0.75625122760558 0.91321404223935 87.620 > 19 71 Sr 0.16260336904656 0.25625122760558 0.58678595776065 87.620 > 20 72 Sr 0.16260336904656 0.75625122760558 0.58678595776065 87.620 > 20 *73 Sr 0.00000000000000 0.49079057640463 0.25000000000000 87.620 > 21 74 Sr 0.00000000000000 0.99079057640463 0.25000000000000 87.620 > 21 75 Sr 0.00000000000000 0.00920942359537 0.75000000000000 87.620 > 22 76 Sr 0.00000000000000 0.50920942359537 0.75000000000000 87.620 > 22 77 Sr 0.66260336904656 0.49374877239442 0.08678595776065 87.620 > 17 78 Sr 0.66260336904656 0.99374877239442 0.08678595776065 87.620 > 17 79 Sr 0.33739663095344 0.49374877239442 0.41321404223935 87.620 > 18 80 Sr 0.33739663095344 0.99374877239442 0.41321404223935 87.620 > 18 81 Sr 0.33739663095344 0.00625122760558 0.91321404223935 87.620 > 19 82 Sr 0.33739663095344 0.50625122760558 0.91321404223935 87.620 > 19 83 Sr 0.66260336904656 0.00625122760558 0.58678595776065 87.620 > 20 84 Sr 0.66260336904656 0.50625122760558 0.58678595776065 87.620 > 20 85 Sr 0.50000000000000 0.24079057640463 0.25000000000000 87.620 > 21 86 Sr 0.50000000000000 0.74079057640463 0.25000000000000 87.620 > 21 87 Sr 0.50000000000000 0.25920942359537 0.75000000000000 87.620 > 22 88 Sr 0.50000000000000 0.75920942359537 0.75000000000000 87.620 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5085694 0.0000000 -0.3995563 0.0000000 5.0382983 0.0000000 -0.3995532 0.0000000 4.6563650 -------------------------- Born effective charges -------------------------- 1 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 2 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 3 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 4 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 5 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 6 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 7 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 8 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 9 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 10 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 11 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 12 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 13 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 14 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 15 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 16 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 17 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 18 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 19 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 20 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 21 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 22 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10542/10542 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- 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: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 720 - Time: 0.907 Solver_block: 200 / 720 - Time: 0.478 Solver_block: 300 / 720 - Time: 0.537 Solver_block: 400 / 720 - Time: 0.561 Solver_block: 500 / 720 - Time: 0.487 Solver_block: 600 / 720 - Time: 0.637 Solver_block: 700 / 720 - Time: 2.009 Solver_block: 720 / 720 - Time: 0.368 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.389 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10542/10542 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- 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: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:41:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:41:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.056149415386829 -3.285333985000000 0.000000000000000 b 5.056149415386829 3.285333985000000 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): 1 B 0.46433755594015 0.25836712362801 0.13545157151338 10.811 2 B 0.74163287637199 0.53566244405985 0.36454842848662 10.811 3 B 0.53566244405985 0.74163287637199 0.86454842848662 10.811 4 B 0.25836712362801 0.46433755594015 0.63545157151338 10.811 5 S 0.72457299795355 0.12670702478603 0.06978448083609 32.065 6 S 0.87329297521397 0.27542700204645 0.43021551916391 32.065 7 S 0.08324353228736 0.47190760729347 0.72147127836671 32.065 8 S 0.52809239270653 0.91675646771264 0.77852872163329 32.065 9 S 0.91675646771264 0.52809239270653 0.27852872163329 32.065 10 S 0.47190760729347 0.08324353228736 0.22147127836671 32.065 11 S 0.55036681133677 0.22826044252638 0.60735539618724 32.065 12 S 0.77173955747362 0.44963318866323 0.89264460381276 32.065 13 S 0.44963318866323 0.77173955747362 0.39264460381276 32.065 14 S 0.22826044252638 0.55036681133677 0.10735539618724 32.065 15 S 0.12670702478603 0.72457299795355 0.56978448083609 32.065 16 S 0.27542700204645 0.87329297521397 0.93021551916391 32.065 17 Sr 0.67510582425773 0.65010091383540 0.08678595776065 87.620 18 Sr 0.34989908616460 0.32489417574227 0.41321404223935 87.620 19 Sr 0.32489417574227 0.34989908616460 0.91321404223935 87.620 20 Sr 0.65010091383540 0.67510582425773 0.58678595776065 87.620 21 Sr 0.01841884719075 0.98158115280925 0.25000000000000 87.620 22 Sr 0.98158115280925 0.01841884719074 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.112298830773659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141335940000001 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): 1 B 0.86135233978408 0.19850739192196 0.13545157151338 10.811 > 1 2 B 0.86135233978408 0.69850739192196 0.13545157151338 10.811 > 1 3 B 0.13864766021592 0.19850739192196 0.36454842848662 10.811 > 3 4 B 0.13864766021592 0.69850739192196 0.36454842848662 10.811 > 3 5 B 0.13864766021592 0.30149260807804 0.86454842848662 10.811 > 5 6 B 0.13864766021592 0.80149260807804 0.86454842848662 10.811 > 5 7 B 0.86135233978408 0.30149260807804 0.63545157151338 10.811 > 7 8 B 0.86135233978408 0.80149260807804 0.63545157151338 10.811 > 7 9 B 0.36135233978408 0.44850739192196 0.13545157151338 10.811 > 1 10 B 0.36135233978408 0.94850739192196 0.13545157151338 10.811 > 1 11 B 0.63864766021592 0.44850739192196 0.36454842848662 10.811 > 3 12 B 0.63864766021592 0.94850739192196 0.36454842848662 10.811 > 3 13 B 0.63864766021592 0.05149260807804 0.86454842848662 10.811 > 5 14 B 0.63864766021592 0.55149260807804 0.86454842848662 10.811 > 5 15 B 0.36135233978408 0.05149260807804 0.63545157151338 10.811 > 7 16 B 0.36135233978408 0.55149260807804 0.63545157151338 10.811 > 7 17 S 0.92564001136979 0.10053350670812 0.06978448083609 32.065 > 17 18 S 0.92564001136979 0.60053350670812 0.06978448083609 32.065 > 17 19 S 0.07435998863021 0.10053350670812 0.43021551916391 32.065 > 19 20 S 0.07435998863021 0.60053350670812 0.43021551916391 32.065 > 19 21 S 0.77757556979041 0.34716601875153 0.72147127836671 32.065 > 21 22 S 0.77757556979041 0.84716601875153 0.72147127836671 32.065 > 21 23 S 0.22242443020959 0.34716601875153 0.77852872163329 32.065 > 23 24 S 0.22242443020959 0.84716601875153 0.77852872163329 32.065 > 23 25 S 0.22242443020959 0.15283398124847 0.27852872163329 32.065 > 25 26 S 0.22242443020959 0.65283398124847 0.27852872163329 32.065 > 25 27 S 0.77757556979041 0.15283398124847 0.22147127836671 32.065 > 27 28 S 0.77757556979041 0.65283398124847 0.22147127836671 32.065 > 27 29 S 0.88931362693157 0.16947340779740 0.60735539618724 32.065 > 29 30 S 0.88931362693157 0.66947340779740 0.60735539618724 32.065 > 29 31 S 0.11068637306843 0.16947340779740 0.89264460381276 32.065 > 31 32 S 0.11068637306843 0.66947340779740 0.89264460381276 32.065 > 31 33 S 0.11068637306843 0.33052659220260 0.39264460381276 32.065 > 33 34 S 0.11068637306843 0.83052659220260 0.39264460381276 32.065 > 33 35 S 0.88931362693157 0.33052659220260 0.10735539618724 32.065 > 35 36 S 0.88931362693157 0.83052659220260 0.10735539618724 32.065 > 35 37 S 0.92564001136979 0.39946649329188 0.56978448083609 32.065 > 37 38 S 0.92564001136979 0.89946649329188 0.56978448083609 32.065 > 37 39 S 0.07435998863021 0.39946649329188 0.93021551916391 32.065 > 39 40 S 0.07435998863021 0.89946649329188 0.93021551916391 32.065 > 39 41 S 0.42564001136979 0.35053350670812 0.06978448083609 32.065 > 17 42 S 0.42564001136979 0.85053350670812 0.06978448083609 32.065 > 17 43 S 0.57435998863021 0.35053350670812 0.43021551916391 32.065 > 19 44 S 0.57435998863021 0.85053350670812 0.43021551916391 32.065 > 19 45 S 0.27757556979041 0.09716601875153 0.72147127836671 32.065 > 21 46 S 0.27757556979041 0.59716601875153 0.72147127836671 32.065 > 21 47 S 0.72242443020959 0.09716601875153 0.77852872163329 32.065 > 23 48 S 0.72242443020959 0.59716601875153 0.77852872163329 32.065 > 23 49 S 0.72242443020959 0.40283398124847 0.27852872163329 32.065 > 25 50 S 0.72242443020959 0.90283398124847 0.27852872163329 32.065 > 25 51 S 0.27757556979041 0.40283398124847 0.22147127836671 32.065 > 27 52 S 0.27757556979041 0.90283398124847 0.22147127836671 32.065 > 27 53 S 0.38931362693157 0.41947340779740 0.60735539618724 32.065 > 29 54 S 0.38931362693157 0.91947340779740 0.60735539618724 32.065 > 29 55 S 0.61068637306843 0.41947340779740 0.89264460381276 32.065 > 31 56 S 0.61068637306843 0.91947340779740 0.89264460381276 32.065 > 31 57 S 0.61068637306843 0.08052659220260 0.39264460381276 32.065 > 33 58 S 0.61068637306843 0.58052659220260 0.39264460381276 32.065 > 33 59 S 0.38931362693157 0.08052659220260 0.10735539618724 32.065 > 35 60 S 0.38931362693157 0.58052659220260 0.10735539618724 32.065 > 35 61 S 0.42564001136979 0.14946649329188 0.56978448083609 32.065 > 37 62 S 0.42564001136979 0.64946649329188 0.56978448083609 32.065 > 37 63 S 0.57435998863021 0.14946649329188 0.93021551916391 32.065 > 39 64 S 0.57435998863021 0.64946649329188 0.93021551916391 32.065 > 39 65 Sr 0.16260336904656 0.24374877239442 0.08678595776065 87.620 > 65 66 Sr 0.16260336904656 0.74374877239442 0.08678595776065 87.620 > 65 67 Sr 0.83739663095344 0.24374877239442 0.41321404223935 87.620 > 67 68 Sr 0.83739663095344 0.74374877239442 0.41321404223935 87.620 > 67 69 Sr 0.83739663095344 0.25625122760558 0.91321404223935 87.620 > 69 70 Sr 0.83739663095344 0.75625122760558 0.91321404223935 87.620 > 69 71 Sr 0.16260336904656 0.25625122760558 0.58678595776065 87.620 > 71 72 Sr 0.16260336904656 0.75625122760558 0.58678595776065 87.620 > 71 73 Sr 0.00000000000000 0.49079057640463 0.25000000000000 87.620 > 73 74 Sr 0.00000000000000 0.99079057640463 0.25000000000000 87.620 > 73 75 Sr 0.00000000000000 0.00920942359537 0.75000000000000 87.620 > 75 76 Sr 0.00000000000000 0.50920942359537 0.75000000000000 87.620 > 75 77 Sr 0.66260336904656 0.49374877239442 0.08678595776065 87.620 > 65 78 Sr 0.66260336904656 0.99374877239442 0.08678595776065 87.620 > 65 79 Sr 0.33739663095344 0.49374877239442 0.41321404223935 87.620 > 67 80 Sr 0.33739663095344 0.99374877239442 0.41321404223935 87.620 > 67 81 Sr 0.33739663095344 0.00625122760558 0.91321404223935 87.620 > 69 82 Sr 0.33739663095344 0.50625122760558 0.91321404223935 87.620 > 69 83 Sr 0.66260336904656 0.00625122760558 0.58678595776065 87.620 > 71 84 Sr 0.66260336904656 0.50625122760558 0.58678595776065 87.620 > 71 85 Sr 0.50000000000000 0.24079057640463 0.25000000000000 87.620 > 73 86 Sr 0.50000000000000 0.74079057640463 0.25000000000000 87.620 > 73 87 Sr 0.50000000000000 0.25920942359537 0.75000000000000 87.620 > 75 88 Sr 0.50000000000000 0.75920942359537 0.75000000000000 87.620 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5085694 0.0000000 -0.3995563 0.0000000 5.0382983 0.0000000 -0.3995532 0.0000000 4.6563650 -------------------------- Born effective charges -------------------------- 1 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 2 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 3 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 4 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 5 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 6 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 7 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 8 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 9 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 10 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 11 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 12 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 13 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 14 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 15 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 16 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 17 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 18 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 19 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 20 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 21 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 22 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 21, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 29, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:41:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:42:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.056149415386829 -3.285333985000000 0.000000000000000 b 5.056149415386829 3.285333985000000 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): 1 B 0.46433755594015 0.25836712362801 0.13545157151338 10.811 2 B 0.74163287637199 0.53566244405985 0.36454842848662 10.811 3 B 0.53566244405985 0.74163287637199 0.86454842848662 10.811 4 B 0.25836712362801 0.46433755594015 0.63545157151338 10.811 5 S 0.72457299795355 0.12670702478603 0.06978448083609 32.065 6 S 0.87329297521397 0.27542700204645 0.43021551916391 32.065 7 S 0.08324353228736 0.47190760729347 0.72147127836671 32.065 8 S 0.52809239270653 0.91675646771264 0.77852872163329 32.065 9 S 0.91675646771264 0.52809239270653 0.27852872163329 32.065 10 S 0.47190760729347 0.08324353228736 0.22147127836671 32.065 11 S 0.55036681133677 0.22826044252638 0.60735539618724 32.065 12 S 0.77173955747362 0.44963318866323 0.89264460381276 32.065 13 S 0.44963318866323 0.77173955747362 0.39264460381276 32.065 14 S 0.22826044252638 0.55036681133677 0.10735539618724 32.065 15 S 0.12670702478603 0.72457299795355 0.56978448083609 32.065 16 S 0.27542700204645 0.87329297521397 0.93021551916391 32.065 17 Sr 0.67510582425773 0.65010091383540 0.08678595776065 87.620 18 Sr 0.34989908616460 0.32489417574227 0.41321404223935 87.620 19 Sr 0.32489417574227 0.34989908616460 0.91321404223935 87.620 20 Sr 0.65010091383540 0.67510582425773 0.58678595776065 87.620 21 Sr 0.01841884719075 0.98158115280925 0.25000000000000 87.620 22 Sr 0.98158115280925 0.01841884719074 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.112298830773659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.141335940000001 0.000000000000000 c -3.241296797121165 0.000000000000000 14.972364835676581 Atomic positions (fractional): 1 B 0.86135233978408 0.19850739192196 0.13545157151338 10.811 > 1 2 B 0.86135233978408 0.69850739192196 0.13545157151338 10.811 > 1 3 B 0.13864766021592 0.19850739192196 0.36454842848662 10.811 > 3 4 B 0.13864766021592 0.69850739192196 0.36454842848662 10.811 > 3 5 B 0.13864766021592 0.30149260807804 0.86454842848662 10.811 > 5 6 B 0.13864766021592 0.80149260807804 0.86454842848662 10.811 > 5 7 B 0.86135233978408 0.30149260807804 0.63545157151338 10.811 > 7 8 B 0.86135233978408 0.80149260807804 0.63545157151338 10.811 > 7 9 B 0.36135233978408 0.44850739192196 0.13545157151338 10.811 > 1 10 B 0.36135233978408 0.94850739192196 0.13545157151338 10.811 > 1 11 B 0.63864766021592 0.44850739192196 0.36454842848662 10.811 > 3 12 B 0.63864766021592 0.94850739192196 0.36454842848662 10.811 > 3 13 B 0.63864766021592 0.05149260807804 0.86454842848662 10.811 > 5 14 B 0.63864766021592 0.55149260807804 0.86454842848662 10.811 > 5 15 B 0.36135233978408 0.05149260807804 0.63545157151338 10.811 > 7 16 B 0.36135233978408 0.55149260807804 0.63545157151338 10.811 > 7 17 S 0.92564001136979 0.10053350670812 0.06978448083609 32.065 > 17 18 S 0.92564001136979 0.60053350670812 0.06978448083609 32.065 > 17 19 S 0.07435998863021 0.10053350670812 0.43021551916391 32.065 > 19 20 S 0.07435998863021 0.60053350670812 0.43021551916391 32.065 > 19 21 S 0.77757556979041 0.34716601875153 0.72147127836671 32.065 > 21 22 S 0.77757556979041 0.84716601875153 0.72147127836671 32.065 > 21 23 S 0.22242443020959 0.34716601875153 0.77852872163329 32.065 > 23 24 S 0.22242443020959 0.84716601875153 0.77852872163329 32.065 > 23 25 S 0.22242443020959 0.15283398124847 0.27852872163329 32.065 > 25 26 S 0.22242443020959 0.65283398124847 0.27852872163329 32.065 > 25 27 S 0.77757556979041 0.15283398124847 0.22147127836671 32.065 > 27 28 S 0.77757556979041 0.65283398124847 0.22147127836671 32.065 > 27 29 S 0.88931362693157 0.16947340779740 0.60735539618724 32.065 > 29 30 S 0.88931362693157 0.66947340779740 0.60735539618724 32.065 > 29 31 S 0.11068637306843 0.16947340779740 0.89264460381276 32.065 > 31 32 S 0.11068637306843 0.66947340779740 0.89264460381276 32.065 > 31 33 S 0.11068637306843 0.33052659220260 0.39264460381276 32.065 > 33 34 S 0.11068637306843 0.83052659220260 0.39264460381276 32.065 > 33 35 S 0.88931362693157 0.33052659220260 0.10735539618724 32.065 > 35 36 S 0.88931362693157 0.83052659220260 0.10735539618724 32.065 > 35 37 S 0.92564001136979 0.39946649329188 0.56978448083609 32.065 > 37 38 S 0.92564001136979 0.89946649329188 0.56978448083609 32.065 > 37 39 S 0.07435998863021 0.39946649329188 0.93021551916391 32.065 > 39 40 S 0.07435998863021 0.89946649329188 0.93021551916391 32.065 > 39 41 S 0.42564001136979 0.35053350670812 0.06978448083609 32.065 > 17 42 S 0.42564001136979 0.85053350670812 0.06978448083609 32.065 > 17 43 S 0.57435998863021 0.35053350670812 0.43021551916391 32.065 > 19 44 S 0.57435998863021 0.85053350670812 0.43021551916391 32.065 > 19 45 S 0.27757556979041 0.09716601875153 0.72147127836671 32.065 > 21 46 S 0.27757556979041 0.59716601875153 0.72147127836671 32.065 > 21 47 S 0.72242443020959 0.09716601875153 0.77852872163329 32.065 > 23 48 S 0.72242443020959 0.59716601875153 0.77852872163329 32.065 > 23 49 S 0.72242443020959 0.40283398124847 0.27852872163329 32.065 > 25 50 S 0.72242443020959 0.90283398124847 0.27852872163329 32.065 > 25 51 S 0.27757556979041 0.40283398124847 0.22147127836671 32.065 > 27 52 S 0.27757556979041 0.90283398124847 0.22147127836671 32.065 > 27 53 S 0.38931362693157 0.41947340779740 0.60735539618724 32.065 > 29 54 S 0.38931362693157 0.91947340779740 0.60735539618724 32.065 > 29 55 S 0.61068637306843 0.41947340779740 0.89264460381276 32.065 > 31 56 S 0.61068637306843 0.91947340779740 0.89264460381276 32.065 > 31 57 S 0.61068637306843 0.08052659220260 0.39264460381276 32.065 > 33 58 S 0.61068637306843 0.58052659220260 0.39264460381276 32.065 > 33 59 S 0.38931362693157 0.08052659220260 0.10735539618724 32.065 > 35 60 S 0.38931362693157 0.58052659220260 0.10735539618724 32.065 > 35 61 S 0.42564001136979 0.14946649329188 0.56978448083609 32.065 > 37 62 S 0.42564001136979 0.64946649329188 0.56978448083609 32.065 > 37 63 S 0.57435998863021 0.14946649329188 0.93021551916391 32.065 > 39 64 S 0.57435998863021 0.64946649329188 0.93021551916391 32.065 > 39 65 Sr 0.16260336904656 0.24374877239442 0.08678595776065 87.620 > 65 66 Sr 0.16260336904656 0.74374877239442 0.08678595776065 87.620 > 65 67 Sr 0.83739663095344 0.24374877239442 0.41321404223935 87.620 > 67 68 Sr 0.83739663095344 0.74374877239442 0.41321404223935 87.620 > 67 69 Sr 0.83739663095344 0.25625122760558 0.91321404223935 87.620 > 69 70 Sr 0.83739663095344 0.75625122760558 0.91321404223935 87.620 > 69 71 Sr 0.16260336904656 0.25625122760558 0.58678595776065 87.620 > 71 72 Sr 0.16260336904656 0.75625122760558 0.58678595776065 87.620 > 71 73 Sr 0.00000000000000 0.49079057640463 0.25000000000000 87.620 > 73 74 Sr 0.00000000000000 0.99079057640463 0.25000000000000 87.620 > 73 75 Sr 0.00000000000000 0.00920942359537 0.75000000000000 87.620 > 75 76 Sr 0.00000000000000 0.50920942359537 0.75000000000000 87.620 > 75 77 Sr 0.66260336904656 0.49374877239442 0.08678595776065 87.620 > 65 78 Sr 0.66260336904656 0.99374877239442 0.08678595776065 87.620 > 65 79 Sr 0.33739663095344 0.49374877239442 0.41321404223935 87.620 > 67 80 Sr 0.33739663095344 0.99374877239442 0.41321404223935 87.620 > 67 81 Sr 0.33739663095344 0.00625122760558 0.91321404223935 87.620 > 69 82 Sr 0.33739663095344 0.50625122760558 0.91321404223935 87.620 > 69 83 Sr 0.66260336904656 0.00625122760558 0.58678595776065 87.620 > 71 84 Sr 0.66260336904656 0.50625122760558 0.58678595776065 87.620 > 71 85 Sr 0.50000000000000 0.24079057640463 0.25000000000000 87.620 > 73 86 Sr 0.50000000000000 0.74079057640463 0.25000000000000 87.620 > 73 87 Sr 0.50000000000000 0.25920942359537 0.75000000000000 87.620 > 75 88 Sr 0.50000000000000 0.75920942359537 0.75000000000000 87.620 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5085694 0.0000000 -0.3995563 0.0000000 5.0382983 0.0000000 -0.3995532 0.0000000 4.6563650 -------------------------- Born effective charges -------------------------- 1 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 2 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 3 B 0.7775694 0.2750839 -1.2131223 0.2874813 2.2238717 -0.3134417 -1.1836433 -0.2862587 1.1874647 4 B 0.7775694 -0.2750839 -1.2131223 -0.2874813 2.2238717 0.3134417 -1.1836433 0.2862587 1.1874647 5 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 6 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 7 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 8 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 9 S -1.7653914 0.1266778 0.5389434 0.1344099 -1.4043398 -0.0740081 0.5649667 -0.0702726 -1.8733461 10 S -1.7653914 -0.1266778 0.5389434 -0.1344099 -1.4043398 0.0740081 0.5649667 0.0702726 -1.8733461 11 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 12 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 13 S -1.3544519 0.0477389 0.1271213 0.0145265 -2.4907320 -0.0349721 0.1536336 -0.0640176 -1.3989526 14 S -1.3544519 -0.0477389 0.1271213 -0.0145265 -2.4907320 0.0349721 0.1536336 0.0640176 -1.3989526 15 S -1.5075908 0.0323826 0.2707333 0.0476053 -1.8704870 0.0282405 0.2118593 0.0228790 -1.6520146 16 S -1.5075908 -0.0323826 0.2707333 -0.0476053 -1.8704870 -0.0282405 0.2118593 -0.0228790 -1.6520146 17 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 18 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 19 Sr 2.5416579 0.3070182 0.0705521 0.1515421 2.1441201 -0.0118324 0.1665579 -0.1954428 2.6639467 20 Sr 2.5416579 -0.3070182 0.0705521 -0.1515421 2.1441201 0.0118324 0.1665579 0.1954428 2.6639467 21 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 22 Sr 2.6164135 0.0000000 0.4115445 0.0000000 2.7951341 0.0000000 0.1732514 0.0000000 2.1458038 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 3 ] 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: 0.52, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.489 ( 0.000 0.000 0.000) 0.000 13.510 ( 0.000 0.000 0.000) 0.000 13.651 ( 0.000 0.000 0.000) 0.000 23.838 ( 0.000 0.000 0.000) 0.000 23.840 ( 0.000 0.000 0.000) 0.000 23.842 ( 0.000 0.000 0.000) 0.000 23.969 ( 0.000 0.000 0.000) 0.000 25.777 ( 0.000 0.000 0.000) 0.000 25.851 ( 0.000 0.000 0.000) 0.000 25.864 ( 0.000 0.000 0.000) 0.000 26.254 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 15.782 -21.974 2.895) 27.209 0.577 ( 19.094 -19.381 10.869) 29.298 0.933 ( 21.779 -39.420 0.619) 45.041 1.483 ( 5.609 -12.871 -0.753) 14.060 1.698 ( -1.724 -1.349 -8.868) 9.134 1.872 ( -3.603 -1.324 -4.304) 5.767 2.023 ( 3.004 -4.596 8.865) 10.428 2.183 ( 1.935 -2.097 1.261) 3.120 2.230 ( 4.317 -5.421 -0.884) 6.986 2.342 ( -0.523 -1.723 -1.451) 2.312 2.419 ( 2.085 0.443 -0.747) 2.259 2.476 ( 3.943 -1.917 -0.960) 4.488 2.554 ( 6.421 -1.460 0.301) 6.592 2.792 ( 5.404 -6.700 -20.469) 22.206 2.997 ( 11.845 -3.266 26.231) 28.966 3.423 ( -5.309 2.200 -0.733) 5.793 3.554 ( -3.572 3.999 -0.219) 5.367 3.686 ( 3.842 -0.504 1.676) 4.222 3.722 ( 2.039 2.521 -2.531) 4.114 3.835 ( -3.417 -0.819 -3.766) 5.151 3.911 ( -2.072 -6.568 3.543) 7.745 4.074 ( 0.137 1.202 -1.120) 1.649 4.119 ( 1.341 -1.001 2.994) 3.430 4.178 ( 2.415 1.377 -3.298) 4.313 4.322 ( 1.327 0.629 0.545) 1.567 4.424 ( -6.599 -0.750 -4.081) 7.795 4.443 ( -2.952 2.014 1.500) 3.875 4.535 ( -6.301 -3.121 -2.706) 7.534 4.550 ( 0.309 -2.498 3.797) 4.555 4.658 ( -0.977 0.483 -1.288) 1.687 4.692 ( 0.685 -0.023 1.040) 1.246 4.734 ( 1.767 -3.351 0.323) 3.803 4.811 ( -4.560 0.179 0.555) 4.597 5.005 ( 1.608 1.411 -3.312) 3.943 5.014 ( -4.475 -1.585 1.421) 4.956 5.116 ( -11.544 -0.872 1.287) 11.648 5.203 ( 12.704 10.832 8.965) 18.950 5.326 ( 1.494 -1.821 1.406) 2.743 5.480 ( 16.670 4.329 -4.746) 17.865 5.760 ( 1.881 3.533 -3.274) 5.171 5.833 ( -6.225 0.293 13.156) 14.557 6.037 ( 12.545 11.232 0.511) 16.846 7.990 ( -0.640 -3.300 0.005) 3.362 8.079 ( -2.416 -2.543 0.388) 3.529 8.418 ( 1.598 2.609 -3.016) 4.296 8.472 ( -1.007 2.460 0.620) 2.729 8.990 ( -1.643 1.077 0.251) 1.981 9.032 ( 0.689 1.244 0.238) 1.441 9.035 ( 1.379 0.845 -0.011) 1.618 9.125 ( -0.166 -2.179 -0.386) 2.219 13.189 ( 0.371 0.478 0.046) 0.607 13.229 ( -0.360 0.491 -0.747) 0.964 13.253 ( 0.356 0.290 0.746) 0.876 13.272 ( -0.329 0.056 -0.446) 0.557 13.365 ( 0.033 0.018 0.244) 0.246 13.479 ( -0.374 0.674 -2.116) 2.252 13.513 ( 0.178 0.295 2.551) 2.574 13.641 ( -0.525 0.725 -0.327) 0.953 23.776 ( -3.039 0.434 0.473) 3.106 23.841 ( -0.321 -0.342 0.993) 1.098 23.964 ( 3.900 -6.139 -3.136) 7.920 24.300 ( -11.723 -7.535 -0.911) 13.965 25.772 ( 0.385 0.925 -1.975) 2.215 25.895 ( 2.796 -0.916 -0.116) 2.945 26.197 ( -5.383 0.718 -1.920) 5.760 26.318 ( -6.000 -5.708 -11.476) 14.152 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 13.706 -21.701 2.155) 25.757 1.113 ( 17.264 -17.032 10.615) 26.473 1.670 ( -0.713 -11.613 -15.156) 19.107 1.765 ( 12.043 -13.624 -6.694) 19.376 1.788 ( 7.020 -10.874 9.477) 16.042 1.906 ( 7.873 -14.670 -8.474) 18.681 2.199 ( 0.647 -8.791 11.154) 14.216 2.255 ( 1.692 -3.020 1.886) 3.942 2.328 ( -0.113 -0.485 -2.438) 2.489 2.355 ( 3.936 -2.590 0.680) 4.761 2.421 ( 2.744 2.392 -2.671) 4.515 2.553 ( 3.544 -2.723 -1.408) 4.686 2.732 ( 9.687 -6.823 3.620) 12.389 3.035 ( 11.031 -12.093 -8.682) 18.528 3.261 ( 14.704 -3.157 18.204) 23.613 3.297 ( -6.249 1.612 -7.389) 9.810 3.474 ( -3.131 0.017 0.341) 3.149 3.723 ( -3.136 -1.380 -3.129) 4.640 3.728 ( 4.392 0.762 -0.271) 4.465 3.834 ( 3.248 -2.327 -1.117) 4.148 3.969 ( -2.087 -1.858 5.014) 5.740 4.057 ( -2.525 2.588 -1.430) 3.888 4.105 ( -2.065 -3.309 1.296) 4.110 4.170 ( -0.906 2.638 -0.572) 2.848 4.320 ( -1.260 1.667 0.694) 2.202 4.376 ( -0.720 0.149 1.369) 1.554 4.398 ( -1.942 -1.403 -0.699) 2.496 4.474 ( -5.040 1.752 -3.013) 6.128 4.601 ( -4.069 -4.371 -2.543) 6.491 4.643 ( -3.552 0.436 -1.187) 3.771 4.711 ( 3.474 -0.755 2.563) 4.382 4.746 ( -1.059 1.370 3.285) 3.713 4.798 ( -0.127 -2.085 -1.788) 2.750 4.958 ( -1.082 2.615 -1.274) 3.104 5.014 ( -5.681 -4.401 1.654) 7.375 5.099 ( -0.051 -2.330 -3.015) 3.810 5.172 ( 8.781 9.595 6.059) 14.349 5.382 ( 0.531 -2.726 2.589) 3.797 5.515 ( 8.647 6.184 -4.244) 11.447 5.701 ( 3.171 6.892 -4.962) 9.065 5.764 ( -6.092 0.843 5.448) 8.216 5.981 ( 2.562 4.689 -0.449) 5.362 8.044 ( -1.339 -4.097 0.196) 4.315 8.103 ( -0.689 -2.251 -0.197) 2.363 8.370 ( 0.451 3.738 -1.177) 3.945 8.406 ( -1.040 3.898 0.919) 4.138 8.954 ( -0.964 1.411 0.218) 1.723 9.017 ( 1.153 1.357 -0.427) 1.831 9.045 ( 0.971 -0.251 0.427) 1.090 9.158 ( 0.484 -1.325 0.190) 1.424 13.183 ( 0.331 0.764 0.197) 0.856 13.212 ( -0.222 0.843 -0.676) 1.103 13.251 ( 0.496 0.707 0.907) 1.252 13.263 ( -0.395 0.312 -0.637) 0.812 13.366 ( 0.104 0.018 0.511) 0.521 13.454 ( -0.572 0.914 -2.373) 2.606 13.515 ( 0.257 0.429 2.616) 2.663 13.615 ( -0.915 1.169 -0.683) 1.634 23.754 ( -2.916 -1.245 0.321) 3.187 23.850 ( 0.215 -0.664 0.575) 0.904 24.102 ( 1.994 -6.410 -2.302) 7.097 24.295 ( -4.992 -3.041 0.912) 5.916 25.760 ( 0.041 0.523 -0.361) 0.637 25.927 ( 1.504 0.340 -1.482) 2.139 26.137 ( -0.505 1.940 1.917) 2.774 26.297 ( -2.727 0.120 -3.598) 4.516 ======================= Grid point 3 (4/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 8.539 -15.775 5.404) 18.734 1.597 ( 15.632 -16.313 3.928) 22.932 1.736 ( -2.076 -7.395 -13.048) 15.141 1.880 ( 4.699 -1.099 -7.142) 8.619 1.978 ( 5.210 -5.226 4.679) 8.738 2.210 ( -2.050 1.916 -5.103) 5.824 2.302 ( 0.877 1.716 -0.966) 2.156 2.373 ( 3.625 -3.897 5.164) 7.416 2.424 ( 0.613 -5.446 5.217) 7.566 2.440 ( 3.447 -2.204 0.392) 4.110 2.588 ( 13.065 -15.675 1.608) 20.469 2.630 ( 3.408 -7.374 -0.101) 8.124 2.851 ( -0.466 5.294 8.786) 10.268 3.189 ( 2.795 -8.016 -11.310) 14.142 3.415 ( 3.284 -6.113 -2.092) 7.248 3.453 ( 8.994 -6.795 -0.654) 11.291 3.543 ( 8.880 -1.488 7.984) 12.034 3.723 ( 0.380 -6.425 -6.664) 9.265 3.772 ( 0.596 -2.324 -0.558) 2.463 3.902 ( -1.271 3.921 -1.567) 4.410 3.939 ( 1.084 -1.081 0.192) 1.543 4.009 ( -1.765 0.317 0.961) 2.034 4.142 ( 0.544 -2.222 6.104) 6.519 4.170 ( -1.119 -3.716 2.280) 4.501 4.248 ( -3.590 2.722 0.921) 4.599 4.326 ( -2.671 3.468 0.034) 4.378 4.392 ( 0.246 -0.302 -3.132) 3.156 4.455 ( 1.687 -0.149 1.766) 2.447 4.564 ( -4.752 1.010 -2.201) 5.333 4.602 ( -4.274 -1.262 -2.938) 5.337 4.715 ( -4.302 -0.859 1.715) 4.710 4.794 ( 3.373 -1.851 2.567) 4.625 4.821 ( -1.035 -1.849 -2.861) 3.560 4.911 ( 0.431 2.499 -0.345) 2.559 5.008 ( -4.504 -0.554 -0.275) 4.546 5.069 ( 4.467 10.352 6.912) 13.225 5.154 ( 1.799 -1.450 -4.088) 4.696 5.439 ( 2.299 -0.887 1.503) 2.886 5.449 ( 1.983 7.251 -3.221) 8.178 5.587 ( -2.887 3.288 0.916) 4.471 5.728 ( -1.270 0.038 -0.635) 1.421 5.941 ( 0.736 2.066 -0.212) 2.203 8.098 ( -1.656 -4.200 0.457) 4.538 8.137 ( -0.293 -2.534 -0.411) 2.584 8.300 ( 0.392 4.608 -0.565) 4.659 8.329 ( -0.569 4.201 0.727) 4.301 8.926 ( -0.442 0.954 -0.021) 1.052 9.011 ( 0.707 0.482 -0.376) 0.935 9.063 ( 0.807 -0.423 0.279) 0.953 9.180 ( 0.278 -0.701 0.210) 0.782 13.173 ( 0.238 0.689 0.144) 0.743 13.195 ( -0.108 0.755 -0.378) 0.851 13.244 ( 0.022 0.581 0.619) 0.849 13.251 ( -0.152 0.539 -0.461) 0.725 13.370 ( 0.208 -0.027 0.749) 0.778 13.427 ( -0.574 0.830 -1.945) 2.191 13.518 ( 0.465 0.267 2.293) 2.355 13.582 ( -1.076 1.159 -1.080) 1.915 23.748 ( -2.242 -1.112 0.443) 2.542 23.870 ( 0.880 -0.861 -0.545) 1.347 24.186 ( -1.499 -3.065 0.234) 3.420 24.313 ( -0.308 -2.633 -0.186) 2.657 25.750 ( -0.128 0.624 0.451) 0.780 25.910 ( 0.338 1.715 -2.089) 2.723 26.134 ( 2.397 0.756 2.774) 3.743 26.248 ( -2.453 1.158 -1.919) 3.323 ======================= Grid point 4 (5/70) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.080 -3.252 -4.236) 5.341 1.836 ( 1.838 -4.437 -1.710) 5.098 1.949 ( 5.164 -4.661 3.270) 7.687 2.031 ( 8.697 -11.438 0.170) 14.370 2.085 ( 2.078 -1.586 1.131) 2.848 2.149 ( 0.673 0.659 -0.275) 0.981 2.229 ( -0.995 3.658 -4.149) 5.620 2.424 ( -5.488 2.177 1.550) 6.104 2.478 ( 1.376 -1.400 0.045) 1.964 2.500 ( 1.088 1.382 4.435) 4.771 2.566 ( -2.671 2.531 2.063) 4.219 2.752 ( 0.604 1.564 -0.188) 1.687 3.048 ( 8.381 -9.702 0.250) 12.823 3.348 ( 2.201 -5.597 -4.308) 7.398 3.495 ( 0.166 -3.799 1.477) 4.080 3.556 ( -0.835 -0.466 -1.602) 1.866 3.689 ( 12.141 0.400 4.846) 13.078 3.769 ( -2.771 0.539 -2.516) 3.781 3.803 ( -2.965 0.484 -1.938) 3.575 3.904 ( 1.356 -2.247 0.132) 2.628 3.988 ( 3.289 -6.387 -3.497) 7.990 4.014 ( -1.159 -1.325 0.757) 1.916 4.120 ( -2.510 2.270 2.159) 4.014 4.171 ( -1.774 2.809 -1.783) 3.771 4.215 ( 0.479 -1.171 1.901) 2.284 4.361 ( 1.277 -2.504 3.265) 4.308 4.409 ( 2.810 -0.821 0.090) 2.928 4.464 ( 2.215 1.533 0.742) 2.794 4.508 ( -4.395 0.467 2.920) 5.297 4.553 ( -2.631 -2.298 -4.216) 5.475 4.700 ( -4.536 -2.645 -1.375) 5.428 4.784 ( 0.234 6.906 -0.263) 6.915 4.840 ( -2.037 -2.405 -0.893) 3.276 4.868 ( 2.208 3.022 0.350) 3.759 4.933 ( 0.563 3.132 0.785) 3.278 5.008 ( -0.196 1.292 2.388) 2.722 5.185 ( 0.019 -1.641 -2.206) 2.749 5.327 ( 0.425 5.265 -0.631) 5.320 5.477 ( 0.210 -0.876 0.548) 1.055 5.551 ( -0.570 0.023 0.358) 0.674 5.720 ( -0.422 -0.181 -0.258) 0.527 5.923 ( 0.269 0.707 -0.111) 0.764 8.154 ( -1.325 -4.283 0.546) 4.517 8.178 ( -0.347 -2.586 -0.390) 2.638 8.226 ( 1.040 4.781 -0.524) 4.921 8.262 ( -0.197 3.031 0.478) 3.075 8.912 ( -0.136 0.311 -0.033) 0.341 9.012 ( 0.241 0.087 -0.139) 0.291 9.075 ( 0.290 -0.183 0.092) 0.355 9.190 ( 0.080 -0.214 0.079) 0.242 13.167 ( 0.107 0.244 0.040) 0.270 13.185 ( -0.049 0.315 -0.107) 0.336 13.238 ( -0.144 0.124 0.263) 0.325 13.241 ( 0.040 0.378 -0.215) 0.436 13.375 ( 0.179 -0.065 0.571) 0.602 13.407 ( -0.314 0.381 -0.971) 1.089 13.529 ( 0.750 -0.176 1.895) 2.046 13.550 ( -0.994 0.745 -1.489) 1.939 23.744 ( -0.842 -0.376 0.232) 0.951 23.889 ( 0.520 -0.442 -0.502) 0.847 24.195 ( -1.183 -0.527 0.706) 1.475 24.354 ( 0.467 -1.334 -0.426) 1.476 25.740 ( -0.139 0.370 0.323) 0.510 25.886 ( 0.182 0.789 -0.916) 1.222 26.162 ( 2.672 0.103 2.266) 3.504 26.201 ( -2.472 0.594 -1.815) 3.124 ======================= Grid point 10 (6/70) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 25.641 0.000 2.065) 25.724 0.649 ( 29.817 0.000 -4.547) 30.162 1.054 ( 42.802 0.000 18.255) 46.532 1.457 ( 11.939 0.000 -1.277) 12.007 1.600 ( -2.845 -0.000 -21.664) 21.850 1.889 ( -0.058 -0.000 15.767) 15.767 2.049 ( 6.755 0.000 -0.780) 6.800 2.214 ( 6.926 0.000 -0.984) 6.995 2.233 ( 5.920 0.000 2.792) 6.546 2.341 ( 2.361 0.000 0.068) 2.362 2.425 ( 1.255 0.000 -2.406) 2.714 2.554 ( 9.340 0.000 -0.039) 9.340 2.630 ( 7.217 0.000 -2.257) 7.561 2.760 ( 10.783 0.000 -21.492) 24.046 3.200 ( 16.781 0.000 25.361) 30.410 3.381 ( -6.617 -0.000 -1.074) 6.703 3.571 ( -1.981 -0.000 1.788) 2.668 3.726 ( -4.077 -0.000 -0.148) 4.080 3.732 ( -3.725 -0.000 -3.463) 5.086 3.761 ( 2.594 0.000 3.046) 4.001 3.850 ( 1.348 0.000 0.085) 1.350 4.084 ( -2.071 -0.000 -3.268) 3.869 4.184 ( 1.976 0.000 -8.271) 8.504 4.185 ( -1.717 -0.000 -0.195) 1.728 4.261 ( 1.162 0.000 -1.458) 1.864 4.378 ( -4.499 -0.000 -5.245) 6.910 4.391 ( -4.907 -0.000 2.897) 5.698 4.466 ( -3.607 -0.000 2.030) 4.139 4.542 ( -2.354 -0.000 7.420) 7.784 4.600 ( -4.238 -0.000 -4.492) 6.175 4.672 ( -0.159 -0.000 0.717) 0.735 4.694 ( 0.082 0.000 -0.835) 0.839 4.796 ( -0.481 -0.000 0.449) 0.658 4.906 ( -11.130 -0.000 5.270) 12.315 4.991 ( -6.917 -0.000 -1.001) 6.989 5.058 ( 5.830 0.000 -6.401) 8.658 5.289 ( -0.280 -0.000 -2.561) 2.576 5.348 ( -2.625 -0.000 5.635) 6.217 5.739 ( 14.659 0.000 -9.331) 17.376 5.818 ( -4.533 -0.000 17.524) 18.101 5.833 ( 6.186 0.000 -8.900) 10.839 6.416 ( -10.255 -0.000 27.419) 29.274 7.950 ( -1.028 -0.000 0.183) 1.044 7.998 ( -0.128 -0.000 0.066) 0.145 8.457 ( 0.802 0.000 -6.029) 6.082 8.472 ( -2.342 -0.000 1.287) 2.673 9.000 ( -0.717 -0.000 -2.015) 2.138 9.039 ( 0.401 0.000 1.253) 1.316 9.078 ( 3.076 0.000 -0.352) 3.096 9.108 ( 3.494 0.000 0.125) 3.496 13.200 ( 0.428 0.000 0.018) 0.428 13.228 ( 0.149 0.000 -1.066) 1.076 13.257 ( 0.635 0.000 1.030) 1.210 13.271 ( -0.335 -0.000 0.119) 0.355 13.367 ( 0.148 0.000 0.487) 0.509 13.473 ( -0.735 -0.000 -2.546) 2.650 13.524 ( -0.028 -0.000 3.325) 3.325 13.637 ( -1.037 -0.000 -0.614) 1.206 23.776 ( -3.053 -0.000 -2.486) 3.938 23.836 ( -0.202 -0.000 -0.766) 0.792 23.953 ( -1.748 -0.000 2.559) 3.099 23.975 ( 5.443 0.000 -6.670) 8.609 25.866 ( 1.374 0.000 2.380) 2.748 25.875 ( 2.393 0.000 -6.229) 6.672 25.998 ( 7.205 0.000 -20.671) 21.891 26.287 ( 0.968 0.000 4.802) 4.898 ======================= Grid point 11 (7/70) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 21.672 -12.261 2.145) 24.992 1.104 ( 23.505 -14.946 -0.293) 27.856 1.538 ( 8.080 -2.527 -14.998) 17.222 1.699 ( 21.563 -12.594 -0.629) 24.980 1.719 ( 22.380 -12.893 7.624) 26.930 1.919 ( 5.051 1.532 7.481) 9.156 2.153 ( 6.152 -2.572 5.119) 8.406 2.288 ( 6.026 1.092 -0.094) 6.125 2.341 ( 4.693 -1.347 1.787) 5.199 2.371 ( 4.034 -1.120 2.333) 4.793 2.470 ( 4.365 -1.827 -2.432) 5.320 2.612 ( 8.208 3.763 -4.003) 9.877 2.739 ( 10.485 -4.306 -4.204) 12.089 2.961 ( 13.862 -10.202 -10.831) 20.336 3.263 ( -7.478 3.847 -2.275) 8.712 3.397 ( 5.502 1.371 6.147) 8.363 3.555 ( 10.082 3.036 12.067) 16.015 3.638 ( -5.280 -1.523 -1.822) 5.789 3.743 ( -3.581 -2.246 -2.403) 4.862 3.833 ( 4.852 -1.522 3.914) 6.417 3.907 ( 1.462 -4.840 2.257) 5.537 4.027 ( -2.124 1.134 -4.756) 5.331 4.098 ( -3.052 3.407 0.694) 4.626 4.208 ( -3.494 3.852 0.724) 5.251 4.263 ( 0.321 -4.222 -1.766) 4.587 4.329 ( -5.399 -1.194 0.146) 5.532 4.390 ( -2.277 -2.401 -1.523) 3.643 4.435 ( -1.509 -0.849 -1.202) 2.108 4.470 ( -5.978 -0.243 -0.697) 6.024 4.621 ( -2.086 -0.391 -2.758) 3.480 4.697 ( -1.462 -2.872 -2.080) 3.836 4.721 ( -2.276 -5.810 0.009) 6.240 4.787 ( 0.557 0.737 2.016) 2.218 4.838 ( -7.025 -2.055 5.929) 9.419 4.928 ( -5.223 -0.889 -0.958) 5.384 5.106 ( 5.858 0.188 -8.082) 9.984 5.284 ( 0.086 -0.472 -3.036) 3.074 5.347 ( -3.428 -2.228 7.695) 8.713 5.749 ( -0.843 7.086 10.918) 13.043 5.806 ( 8.789 4.460 -7.587) 12.438 5.845 ( 4.644 4.899 -6.941) 9.683 6.177 ( -2.558 15.394 11.518) 19.396 7.965 ( -1.532 -2.998 0.050) 3.368 8.036 ( -1.673 -3.685 0.140) 4.049 8.424 ( -0.111 2.439 -1.591) 2.914 8.438 ( -1.789 1.708 0.097) 2.475 8.969 ( -0.273 1.709 -0.164) 1.738 9.043 ( 0.582 0.760 1.462) 1.748 9.093 ( 3.198 1.925 -1.105) 3.893 9.157 ( 2.558 -0.766 0.407) 2.702 13.200 ( 0.431 0.619 0.228) 0.788 13.223 ( 0.174 0.574 -0.721) 0.938 13.263 ( -0.214 0.232 -0.148) 0.349 13.265 ( 0.008 0.274 0.667) 0.721 13.371 ( 0.356 0.049 0.751) 0.832 13.454 ( -0.686 0.565 -2.560) 2.710 13.528 ( -0.044 0.241 2.914) 2.924 13.616 ( -1.425 0.655 -0.907) 1.812 23.711 ( -2.584 0.580 0.072) 2.650 23.840 ( 0.114 -0.581 -0.956) 1.124 24.024 ( 0.287 -5.306 0.470) 5.335 24.110 ( -2.650 -9.822 -1.615) 10.301 25.808 ( 3.633 3.519 -2.542) 5.661 25.954 ( 2.092 -0.563 1.446) 2.605 26.084 ( 1.182 -4.858 -8.171) 9.580 26.292 ( -0.267 1.292 3.369) 3.618 ======================= Grid point 12 (8/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.505 -13.447 1.598) 21.349 1.590 ( 18.305 -13.935 0.394) 23.009 1.626 ( 9.440 -3.301 -11.997) 15.619 1.958 ( 7.756 1.841 -0.089) 7.972 1.999 ( 12.203 -5.101 -0.447) 13.234 2.248 ( 2.473 1.980 -2.172) 3.841 2.300 ( 3.666 -2.171 5.667) 7.090 2.351 ( 17.302 -12.028 7.513) 22.372 2.441 ( 6.960 -0.744 4.667) 8.413 2.449 ( 4.050 -3.239 2.141) 5.610 2.532 ( 12.734 -1.718 -0.927) 12.883 2.647 ( 5.223 0.264 -3.033) 6.046 2.933 ( 4.810 -2.137 6.331) 8.233 3.092 ( -1.880 0.566 -8.471) 8.696 3.314 ( 6.656 -13.557 -6.246) 16.344 3.387 ( 3.729 -1.171 -2.308) 4.539 3.625 ( -1.629 -2.948 -3.667) 4.980 3.709 ( 10.694 0.016 7.503) 13.064 3.722 ( -3.200 -0.380 -2.821) 4.283 3.906 ( -1.254 -3.468 -0.860) 3.786 3.948 ( -1.876 2.919 2.121) 4.067 4.009 ( -3.755 1.206 -2.190) 4.511 4.087 ( 7.150 -4.749 7.540) 11.424 4.137 ( -1.645 0.423 3.264) 3.679 4.244 ( -3.527 0.983 2.875) 4.656 4.328 ( -4.879 1.814 -2.421) 5.741 4.371 ( 1.428 -3.059 0.960) 3.510 4.457 ( -6.197 -4.090 -2.029) 7.697 4.473 ( 2.273 -2.478 -1.068) 3.528 4.562 ( -1.746 1.904 -6.427) 6.926 4.686 ( -5.431 2.876 2.662) 6.697 4.738 ( -2.007 -2.544 -0.932) 3.371 4.808 ( -1.185 -2.187 1.405) 2.857 4.867 ( -5.734 -6.789 2.095) 9.130 4.915 ( -0.795 -1.438 -1.315) 2.104 5.134 ( 2.511 -0.126 -6.898) 7.342 5.281 ( 1.621 2.496 -0.050) 2.977 5.384 ( -2.174 -3.774 6.012) 7.424 5.610 ( -4.010 8.452 10.299) 13.913 5.695 ( 3.065 12.171 -8.115) 14.946 5.803 ( 6.011 5.860 -4.745) 9.643 5.997 ( -1.436 5.196 3.315) 6.329 8.007 ( -1.911 -4.075 0.118) 4.503 8.076 ( -1.781 -3.412 0.031) 3.849 8.370 ( 0.107 3.461 -0.918) 3.582 8.380 ( -1.575 2.950 0.550) 3.389 8.942 ( -0.150 1.255 0.505) 1.361 9.031 ( 0.714 1.542 0.322) 1.730 9.094 ( 2.690 1.367 -0.700) 3.098 9.188 ( 1.947 0.079 0.410) 1.991 13.190 ( 0.175 0.927 0.071) 0.946 13.211 ( 0.180 0.966 -0.227) 1.009 13.252 ( -0.261 0.520 -0.061) 0.585 13.259 ( -0.238 0.457 0.194) 0.551 13.377 ( 0.531 0.127 0.926) 1.075 13.430 ( -0.584 0.752 -2.023) 2.236 13.531 ( 0.078 0.196 2.373) 2.382 13.582 ( -1.582 0.966 -1.226) 2.222 23.698 ( -2.169 -1.583 0.581) 2.747 23.855 ( 0.293 -1.191 -1.445) 1.895 24.104 ( -2.253 -4.792 1.815) 5.597 24.225 ( -0.275 -6.435 -1.328) 6.576 25.792 ( 2.990 2.529 -0.980) 4.037 25.961 ( 2.367 2.530 -0.056) 3.465 26.138 ( 0.509 -2.211 -2.054) 3.060 26.256 ( -1.125 2.425 1.739) 3.189 ======================= Grid point 13 (9/70) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 8.448 -4.711 -5.221) 10.992 1.799 ( 12.823 -6.514 0.582) 14.394 1.972 ( 10.057 -4.474 -1.767) 11.148 2.018 ( 12.107 -2.998 -0.714) 12.493 2.138 ( 7.414 1.039 1.971) 7.741 2.211 ( 4.279 3.848 -0.215) 5.759 2.328 ( 2.627 6.366 -3.337) 7.653 2.422 ( 0.843 0.455 2.325) 2.514 2.482 ( 1.200 0.234 0.081) 1.225 2.571 ( 7.601 -0.067 6.029) 9.702 2.624 ( -1.446 4.652 -0.067) 4.872 2.820 ( -0.875 6.796 1.870) 7.103 2.987 ( 14.688 -11.975 4.823) 19.555 3.240 ( 3.971 -9.216 -4.993) 11.209 3.419 ( -0.416 -5.624 0.700) 5.683 3.539 ( 1.482 -2.336 0.437) 2.801 3.640 ( -6.827 0.246 -4.087) 7.960 3.778 ( -0.602 0.035 -0.917) 1.098 3.799 ( 5.972 -10.879 -6.283) 13.910 3.905 ( 6.505 0.919 0.390) 6.581 3.949 ( -2.174 0.074 -1.013) 2.400 3.968 ( -1.817 -2.918 3.632) 5.001 4.099 ( -4.625 -0.065 3.062) 5.547 4.183 ( 0.571 -0.374 2.687) 2.772 4.213 ( -1.943 1.945 -1.550) 3.156 4.351 ( 4.708 -2.238 2.037) 5.597 4.438 ( -2.690 -0.626 -1.526) 3.156 4.450 ( 3.160 -2.261 3.706) 5.369 4.499 ( -1.062 1.053 -1.220) 1.931 4.505 ( 0.243 0.348 -2.454) 2.490 4.609 ( -4.696 -1.939 3.109) 5.956 4.753 ( -3.148 -2.972 -2.004) 4.770 4.807 ( -3.668 -0.468 -0.392) 3.718 4.890 ( -5.002 -2.711 -1.448) 5.870 4.923 ( 0.645 0.957 -1.398) 1.813 5.149 ( 1.420 -1.108 -3.713) 4.127 5.199 ( 1.979 9.924 8.031) 12.919 5.422 ( 0.188 2.588 -1.507) 3.001 5.477 ( -4.668 0.404 1.477) 4.913 5.537 ( 1.058 5.025 -1.637) 5.390 5.758 ( 2.895 3.696 -1.105) 4.823 5.941 ( -0.716 1.745 0.487) 1.948 8.060 ( -1.775 -4.578 0.183) 4.914 8.117 ( -1.501 -3.583 0.056) 3.885 8.305 ( -0.079 3.833 -0.989) 3.959 8.314 ( -0.577 3.491 0.802) 3.628 8.925 ( 0.257 0.929 0.377) 1.035 9.015 ( 0.232 0.907 -0.332) 0.993 9.099 ( 1.930 1.069 -0.125) 2.210 9.202 ( 1.501 0.535 0.265) 1.616 13.176 ( -0.036 0.718 -0.125) 0.730 13.196 ( 0.153 0.901 0.061) 0.916 13.241 ( -0.273 0.370 0.287) 0.542 13.248 ( -0.184 0.501 -0.217) 0.577 13.381 ( 0.398 0.269 0.452) 0.660 13.410 ( -0.180 0.490 -0.723) 0.892 13.537 ( 0.297 -0.101 1.825) 1.852 13.546 ( -1.482 0.812 -1.558) 2.299 23.712 ( -1.171 -1.962 0.582) 2.358 23.875 ( -0.112 -1.180 -1.481) 1.897 24.150 ( -1.923 -3.205 1.956) 4.219 24.313 ( 0.552 -3.846 -1.108) 4.041 25.779 ( 2.599 2.438 -0.126) 3.565 25.932 ( 2.096 3.273 -0.343) 3.902 26.158 ( -1.794 -0.787 -1.434) 2.428 26.214 ( 0.512 1.736 1.627) 2.433 ======================= Grid point 14 (10/70) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.439 -0.124 2.259) 4.982 1.915 ( 9.611 5.118 1.105) 10.944 2.035 ( 0.854 8.482 -2.730) 8.951 2.131 ( 2.883 4.277 -0.051) 5.158 2.137 ( 1.314 0.811 -2.334) 2.798 2.170 ( 5.603 3.968 0.432) 6.880 2.299 ( 1.640 8.029 2.517) 8.572 2.442 ( 10.607 -5.824 -1.076) 12.148 2.478 ( -0.528 0.781 -1.026) 1.393 2.515 ( -0.690 5.065 -1.333) 5.283 2.626 ( 5.527 3.782 -0.202) 6.700 2.740 ( -1.980 1.541 0.041) 2.509 3.107 ( -3.449 4.520 1.874) 5.986 3.395 ( 2.390 -1.244 3.771) 4.634 3.454 ( -13.531 -3.342 -2.438) 14.149 3.563 ( 2.445 1.933 -1.515) 3.466 3.577 ( -0.386 -0.730 1.658) 1.853 3.760 ( 0.807 -1.033 -0.449) 1.386 3.869 ( -2.204 -0.169 0.588) 2.287 3.920 ( 0.441 1.857 -1.101) 2.204 4.003 ( 1.683 -2.976 -5.002) 6.058 4.051 ( -0.444 0.390 4.783) 4.819 4.091 ( 0.931 -3.254 3.326) 4.745 4.140 ( -2.114 0.683 -0.807) 2.364 4.225 ( -0.038 -0.184 1.793) 1.803 4.362 ( -3.270 2.147 -7.203) 8.197 4.403 ( -2.485 1.006 0.765) 2.788 4.413 ( 0.942 -1.837 -1.428) 2.510 4.531 ( 2.423 -1.325 -0.180) 2.767 4.620 ( -0.342 -6.175 -1.130) 6.287 4.632 ( 5.199 -0.384 5.717) 7.737 4.764 ( -1.105 0.014 1.455) 1.827 4.778 ( -2.298 -3.849 -1.830) 4.842 4.864 ( -2.310 -0.040 -2.144) 3.151 4.890 ( -1.386 0.981 -0.911) 1.927 5.090 ( 2.506 6.339 5.975) 9.064 5.189 ( 1.422 -1.442 -1.341) 2.429 5.322 ( -0.153 4.175 -2.126) 4.687 5.482 ( -0.070 -0.352 -0.332) 0.489 5.518 ( -2.142 -2.147 0.422) 3.062 5.747 ( 2.395 1.022 -0.178) 2.610 5.911 ( -1.372 0.436 0.181) 1.451 8.126 ( -1.218 -5.208 0.175) 5.351 8.165 ( -0.703 -3.351 0.099) 3.426 8.243 ( -0.193 2.833 -0.775) 2.944 8.252 ( 0.076 3.623 0.478) 3.656 8.919 ( 0.629 0.440 0.224) 0.800 9.003 ( -0.553 0.279 -0.258) 0.671 9.097 ( 1.250 1.258 0.013) 1.773 9.205 ( 1.181 0.812 0.085) 1.436 13.166 ( -0.187 0.282 -0.206) 0.396 13.187 ( 0.218 0.355 0.268) 0.496 13.235 ( -0.432 -0.014 -0.116) 0.447 13.240 ( 0.165 0.169 0.080) 0.249 13.376 ( -0.026 0.380 -0.645) 0.749 13.410 ( 0.489 -0.102 1.157) 1.260 13.518 ( -1.193 0.315 -1.839) 2.215 13.551 ( 0.503 -0.589 1.306) 1.518 23.738 ( 0.221 -1.648 0.225) 1.678 23.880 ( -1.067 -0.426 -0.459) 1.237 24.189 ( 0.312 -2.261 0.451) 2.326 24.354 ( -0.262 -0.789 -0.249) 0.868 25.769 ( 2.609 1.979 -0.466) 3.308 25.906 ( 1.380 1.972 1.277) 2.724 26.122 ( -3.450 0.211 -2.443) 4.233 26.222 ( 1.525 -0.178 1.649) 2.253 ======================= Grid point 15 (11/70) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -9.613 16.490 -6.197) 20.069 1.813 ( 1.380 12.657 -0.977) 12.770 1.963 ( 1.690 14.712 -0.213) 14.810 1.979 ( 9.037 5.461 15.529) 18.779 2.045 ( -0.102 7.810 -2.943) 8.347 2.260 ( 4.763 1.569 5.459) 7.413 2.269 ( 2.921 -3.181 2.567) 5.023 2.402 ( -0.956 4.609 -5.747) 7.429 2.450 ( -2.051 2.376 1.783) 3.610 2.550 ( 1.776 8.324 -6.459) 10.685 2.600 ( 0.785 0.166 -2.935) 3.042 2.730 ( -0.987 -2.701 -5.687) 6.373 2.877 ( -4.624 15.630 0.794) 16.319 3.244 ( -15.218 1.688 -1.854) 15.424 3.375 ( -2.702 5.406 6.143) 8.618 3.514 ( 0.521 6.311 1.171) 6.439 3.588 ( 1.045 2.479 0.427) 2.724 3.775 ( -5.017 1.541 -2.913) 6.003 3.843 ( -1.861 -1.375 1.280) 2.644 3.849 ( 0.926 4.734 3.916) 6.213 3.963 ( -1.493 3.105 5.314) 6.333 4.047 ( 2.130 1.643 -2.241) 3.501 4.149 ( -2.968 2.732 -4.850) 6.308 4.170 ( 2.040 -4.812 -2.566) 5.822 4.223 ( 0.167 -3.495 -1.854) 3.960 4.266 ( -3.126 -0.626 -2.338) 3.954 4.402 ( 1.136 -1.190 4.515) 4.806 4.466 ( 3.529 -0.460 0.422) 3.584 4.583 ( 1.777 -1.921 1.137) 2.853 4.655 ( 3.005 0.227 -0.726) 3.100 4.751 ( -2.298 1.316 -1.762) 3.181 4.759 ( -0.469 -5.107 0.430) 5.146 4.801 ( -2.969 -3.181 -0.178) 4.355 4.863 ( 0.572 -0.070 1.991) 2.073 4.896 ( 1.500 -3.095 -3.486) 4.897 5.066 ( 1.860 1.234 2.658) 3.471 5.196 ( 0.422 2.156 1.494) 2.657 5.296 ( -2.226 -2.680 -0.737) 3.561 5.484 ( 1.258 0.223 -1.268) 1.800 5.544 ( -0.837 -2.690 0.722) 2.908 5.768 ( 3.455 0.217 -0.677) 3.527 5.900 ( -2.035 -1.191 0.735) 2.470 8.170 ( 0.165 2.456 -0.103) 2.464 8.189 ( 0.627 3.362 0.209) 3.426 8.211 ( -0.466 -4.995 0.014) 5.016 8.252 ( -0.729 -4.378 -0.277) 4.447 8.926 ( 0.973 -0.133 0.187) 0.999 8.991 ( -1.316 -0.111 -0.025) 1.321 9.084 ( 0.659 1.514 -0.046) 1.652 9.201 ( 0.914 1.143 -0.071) 1.465 13.162 ( -0.232 -0.226 -0.183) 0.372 13.191 ( 0.374 -0.278 0.505) 0.687 13.231 ( -0.511 -0.285 -0.791) 0.984 13.247 ( 0.261 -0.453 0.505) 0.726 13.369 ( -0.037 0.213 -0.568) 0.608 13.425 ( 0.612 -0.557 1.715) 1.904 13.502 ( -0.803 -0.237 -1.983) 2.153 13.573 ( 0.563 -1.089 0.830) 1.481 23.771 ( 1.643 -0.928 -0.155) 1.893 23.865 ( -1.682 0.234 0.248) 1.716 24.232 ( 2.310 -0.644 -0.576) 2.466 24.334 ( -1.511 1.512 0.451) 2.185 25.767 ( 2.206 1.201 -1.121) 2.751 25.908 ( 1.134 0.093 3.520) 3.699 26.077 ( -3.479 -0.603 -3.770) 5.165 26.254 ( 1.457 -1.322 1.600) 2.535 ======================= Grid point 16 (12/70) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -8.349 20.934 -5.528) 23.205 1.452 ( -1.656 26.171 -1.831) 26.288 1.807 ( -1.255 6.102 4.317) 7.579 1.876 ( -1.519 9.504 -5.160) 10.921 2.006 ( 7.740 9.883 17.156) 21.257 2.183 ( -4.068 14.583 2.755) 15.388 2.291 ( -1.317 6.020 -3.352) 7.015 2.349 ( 1.577 0.758 0.420) 1.800 2.366 ( -2.359 5.336 -1.461) 6.015 2.392 ( -1.351 7.704 -7.871) 11.096 2.449 ( 2.830 10.508 5.728) 12.297 2.591 ( -1.033 5.078 0.040) 5.183 2.708 ( -7.094 3.238 -8.749) 11.720 3.077 ( -9.842 1.677 -2.424) 10.274 3.242 ( -3.362 12.714 -2.190) 13.332 3.393 ( 3.982 4.045 8.736) 10.418 3.561 ( 3.915 2.937 0.865) 4.970 3.656 ( -6.270 1.616 -2.617) 6.983 3.754 ( -4.146 2.814 -2.339) 5.529 3.881 ( 3.095 1.937 10.183) 10.818 3.981 ( 0.904 -1.816 -3.641) 4.168 4.023 ( 0.439 -0.522 -4.962) 5.009 4.117 ( -0.309 -3.155 0.077) 3.171 4.178 ( -0.585 1.851 -0.820) 2.107 4.255 ( -2.369 -2.134 -2.670) 4.159 4.338 ( 1.077 -5.332 -0.810) 5.500 4.466 ( 4.478 -0.353 4.183) 6.138 4.515 ( 4.564 -0.231 2.423) 5.173 4.657 ( -1.263 -1.387 -2.825) 3.391 4.667 ( 4.118 -1.228 2.159) 4.809 4.683 ( -3.485 1.718 -3.217) 5.044 4.763 ( 2.816 2.244 0.760) 3.680 4.818 ( -4.261 -0.520 1.003) 4.408 4.861 ( -5.903 -4.577 1.109) 7.551 4.985 ( 3.963 -2.839 -4.448) 6.599 5.061 ( -2.094 0.698 2.552) 3.375 5.169 ( 2.407 1.990 0.115) 3.125 5.314 ( -4.604 -3.064 0.475) 5.550 5.488 ( 1.572 1.658 -0.754) 2.406 5.596 ( -0.920 -4.179 1.871) 4.670 5.816 ( 5.459 -0.653 -2.938) 6.233 5.904 ( -3.250 -2.005 2.147) 4.381 8.122 ( 0.631 3.692 -0.355) 3.762 8.140 ( -0.067 2.269 0.356) 2.298 8.296 ( -0.157 -4.832 0.225) 4.839 8.331 ( -0.031 -5.152 -0.371) 5.165 8.945 ( 1.238 -0.656 0.222) 1.418 8.980 ( -1.745 -0.801 0.027) 1.920 9.063 ( 0.311 1.451 -0.140) 1.491 9.185 ( 0.508 1.608 -0.115) 1.690 13.167 ( -0.162 -0.641 -0.122) 0.672 13.206 ( 0.522 -0.669 0.722) 1.114 13.230 ( -0.674 -0.611 -0.922) 1.296 13.260 ( 0.242 -0.611 0.390) 0.764 13.365 ( -0.006 0.072 -0.273) 0.282 13.448 ( 0.439 -0.913 1.563) 1.863 13.497 ( -0.399 -0.529 -1.682) 1.808 13.602 ( 0.394 -1.367 0.388) 1.475 23.798 ( 2.104 0.588 0.158) 2.190 23.845 ( -1.316 -0.256 -0.432) 1.409 24.206 ( 0.218 6.148 0.849) 6.210 24.324 ( 0.546 -1.747 -0.550) 1.911 25.769 ( 1.219 0.505 -0.755) 1.521 25.928 ( 0.249 0.494 3.323) 3.369 26.066 ( -1.626 -3.368 -3.648) 5.224 26.307 ( 1.500 -2.413 1.715) 3.319 ======================= Grid point 17 (13/70) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 23.576 -0.000) 23.576 0.962 ( 0.000 28.757 -0.000) 28.757 1.551 ( 0.000 39.395 -0.000) 39.395 1.682 ( 0.000 12.716 -0.000) 12.716 1.729 ( 0.000 2.691 -0.000) 2.691 2.050 ( 0.000 6.323 -0.000) 6.323 2.077 ( 0.000 11.156 -0.000) 11.156 2.223 ( 0.000 4.278 -0.000) 4.278 2.295 ( 0.000 4.225 -0.000) 4.225 2.381 ( 0.000 0.344 -0.000) 0.344 2.418 ( 0.000 1.745 -0.000) 1.745 2.518 ( 0.000 3.688 -0.000) 3.688 2.561 ( 0.000 4.988 -0.000) 4.988 2.959 ( 0.000 12.884 -0.000) 12.884 2.962 ( 0.000 5.079 -0.000) 5.079 3.433 ( -0.000 -0.949 0.000) 0.949 3.554 ( 0.000 1.186 -0.000) 1.186 3.632 ( -0.000 -3.925 0.000) 3.925 3.677 ( 0.000 1.689 -0.000) 1.689 3.900 ( 0.000 2.373 -0.000) 2.373 3.962 ( -0.000 -0.940 0.000) 0.940 4.103 ( 0.000 4.028 -0.000) 4.028 4.108 ( -0.000 -4.723 0.000) 4.723 4.155 ( 0.000 1.234 -0.000) 1.234 4.272 ( -0.000 -2.610 0.000) 2.610 4.416 ( -0.000 -3.210 0.000) 3.210 4.521 ( 0.000 1.367 -0.000) 1.367 4.523 ( 0.000 0.942 -0.000) 0.942 4.632 ( -0.000 -0.130 0.000) 0.130 4.657 ( -0.000 -1.191 0.000) 1.191 4.685 ( 0.000 2.049 -0.000) 2.049 4.747 ( 0.000 3.541 -0.000) 3.541 4.824 ( -0.000 -1.996 0.000) 1.996 4.924 ( -0.000 -8.305 0.000) 8.305 5.005 ( 0.000 0.507 -0.000) 0.507 5.055 ( -0.000 -0.438 0.000) 0.438 5.181 ( -0.000 -1.040 0.000) 1.040 5.308 ( -0.000 -0.528 0.000) 0.528 5.440 ( 0.000 4.570 -0.000) 4.570 5.672 ( -0.000 -5.153 0.000) 5.153 5.889 ( -0.000 -0.358 0.000) 0.358 5.891 ( -0.000 -2.006 0.000) 2.006 8.059 ( 0.000 4.083 -0.000) 4.083 8.111 ( 0.000 1.281 -0.000) 1.281 8.366 ( -0.000 -3.436 0.000) 3.436 8.415 ( -0.000 -4.523 0.000) 4.523 8.975 ( -0.000 -1.880 0.000) 1.880 8.987 ( -0.000 -1.304 0.000) 1.304 9.044 ( 0.000 0.925 -0.000) 0.925 9.158 ( 0.000 1.801 -0.000) 1.801 13.178 ( -0.000 -0.665 0.000) 0.665 13.223 ( -0.000 -0.688 0.000) 0.688 13.236 ( -0.000 -0.845 0.000) 0.845 13.271 ( -0.000 -0.397 0.000) 0.397 13.365 ( -0.000 -0.002 0.000) 0.002 13.470 ( -0.000 -0.972 0.000) 0.972 13.502 ( -0.000 -0.467 0.000) 0.467 13.627 ( -0.000 -1.244 0.000) 1.244 23.794 ( 0.000 0.777 -0.000) 0.777 23.846 ( -0.000 -0.166 0.000) 0.166 24.078 ( 0.000 8.250 -0.000) 8.250 24.363 ( -0.000 -1.656 0.000) 1.656 25.772 ( -0.000 -0.071 0.000) 0.071 25.906 ( 0.000 1.825 -0.000) 1.825 26.137 ( -0.000 -5.433 0.000) 5.433 26.368 ( -0.000 -2.940 0.000) 2.940 ======================= Grid point 20 (14/70) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 22.411 0.000 1.023) 22.434 1.251 ( 26.594 0.000 -4.503) 26.972 1.575 ( 10.632 0.000 -17.008) 20.057 1.779 ( 17.347 0.000 -3.169) 17.634 2.015 ( 34.089 0.000 18.508) 38.789 2.020 ( 5.092 0.000 13.644) 14.563 2.225 ( 8.670 0.000 -1.658) 8.827 2.391 ( 6.077 0.000 -2.095) 6.428 2.402 ( 6.205 0.000 5.534) 8.314 2.415 ( 5.958 0.000 5.523) 8.125 2.499 ( 9.386 0.000 -3.976) 10.194 2.773 ( 10.591 0.000 -1.493) 10.696 2.795 ( 9.016 0.000 -8.260) 12.228 2.973 ( 12.462 0.000 -11.827) 17.181 3.220 ( -7.060 -0.000 0.905) 7.118 3.465 ( 2.303 0.000 -2.004) 3.053 3.558 ( -7.140 -0.000 -0.035) 7.140 3.634 ( -3.581 -0.000 -1.339) 3.823 3.759 ( 10.635 0.000 9.068) 13.976 3.844 ( -1.642 -0.000 -3.685) 4.035 3.936 ( 9.233 0.000 11.225) 14.535 4.011 ( -2.015 -0.000 -3.613) 4.138 4.139 ( -0.414 -0.000 4.147) 4.167 4.148 ( -2.276 -0.000 -3.646) 4.298 4.230 ( -6.454 -0.000 -2.624) 6.967 4.259 ( -4.327 -0.000 3.369) 5.484 4.326 ( 1.216 0.000 -0.752) 1.430 4.380 ( -4.234 -0.000 -2.358) 4.846 4.476 ( -2.970 -0.000 -2.356) 3.791 4.513 ( -2.864 -0.000 2.577) 3.853 4.620 ( -3.153 -0.000 -4.859) 5.792 4.654 ( -2.820 -0.000 -2.603) 3.838 4.787 ( -3.298 -0.000 3.757) 4.999 4.835 ( 3.533 0.000 0.673) 3.597 4.861 ( -5.477 -0.000 1.997) 5.829 5.142 ( 2.682 0.000 -9.396) 9.771 5.279 ( 3.045 0.000 -4.888) 5.759 5.287 ( -5.312 -0.000 7.430) 9.134 5.790 ( -4.714 -0.000 13.188) 14.006 5.909 ( 6.837 0.000 -6.197) 9.228 5.937 ( 5.195 0.000 -14.919) 15.797 6.282 ( -11.256 -0.000 16.778) 20.204 7.922 ( -1.572 -0.000 0.224) 1.587 7.983 ( -1.382 -0.000 0.166) 1.391 8.427 ( -2.062 -0.000 1.215) 2.393 8.441 ( -0.367 -0.000 -2.491) 2.518 8.988 ( 0.186 0.000 -1.282) 1.296 9.061 ( 0.744 0.000 2.272) 2.391 9.142 ( 2.703 0.000 -1.302) 3.000 9.189 ( 3.525 0.000 0.694) 3.592 13.210 ( 0.326 0.000 0.268) 0.422 13.230 ( 0.344 0.000 -0.648) 0.734 13.263 ( -0.356 -0.000 0.297) 0.464 13.266 ( -0.248 -0.000 0.360) 0.437 13.379 ( 0.690 0.000 0.997) 1.213 13.445 ( -0.742 -0.000 -2.427) 2.538 13.535 ( -0.233 -0.000 2.698) 2.709 13.601 ( -1.804 -0.000 -1.106) 2.116 23.703 ( -2.682 -0.000 -1.185) 2.932 23.824 ( -0.396 -0.000 -1.437) 1.491 23.930 ( -1.475 -0.000 3.586) 3.878 24.060 ( 4.158 0.000 -2.718) 4.967 25.911 ( 3.552 0.000 -6.494) 7.402 25.943 ( 4.139 0.000 3.412) 5.364 26.071 ( 4.436 0.000 -3.926) 5.924 26.310 ( -0.865 -0.000 3.751) 3.849 ======================= Grid point 21 (15/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 18.686 -8.518 0.783) 20.551 1.589 ( 21.537 -7.961 -5.310) 23.568 1.710 ( 16.590 -2.377 -9.069) 19.055 2.036 ( 16.266 -6.967 -6.107) 18.719 2.091 ( 7.501 2.080 10.274) 12.889 2.299 ( 4.573 0.180 0.265) 4.584 2.394 ( 9.963 0.200 2.413) 10.253 2.432 ( 11.625 -2.755 6.004) 13.371 2.457 ( 3.310 -0.006 4.560) 5.635 2.535 ( 9.270 -1.219 8.301) 12.503 2.685 ( 19.134 -2.616 1.341) 19.359 2.763 ( 8.638 7.469 -7.235) 13.519 2.936 ( 8.008 -4.316 -2.821) 9.524 3.112 ( -4.896 4.684 2.389) 7.185 3.159 ( 4.464 -9.797 -5.003) 11.872 3.435 ( 1.863 1.985 -3.138) 4.154 3.542 ( 1.401 -3.334 -3.149) 4.795 3.653 ( -2.931 -4.122 -0.716) 5.109 3.803 ( 1.436 1.331 0.362) 1.991 3.817 ( -3.722 0.444 -4.236) 5.656 3.968 ( -2.969 0.996 -0.673) 3.203 3.999 ( -0.070 1.089 2.088) 2.356 4.110 ( -1.155 1.413 0.592) 1.919 4.191 ( -4.590 -3.107 -0.006) 5.543 4.225 ( 9.519 0.159 9.484) 13.438 4.262 ( -4.952 -2.927 -1.101) 5.857 4.337 ( -0.313 -0.858 0.771) 1.195 4.358 ( 4.069 -1.881 6.255) 7.695 4.448 ( 0.142 -1.814 -3.800) 4.213 4.560 ( -1.962 1.368 -5.843) 6.314 4.586 ( -5.284 -7.471 -1.508) 9.274 4.652 ( -3.047 -4.502 -0.031) 5.436 4.748 ( -3.669 2.978 4.936) 6.833 4.790 ( -4.258 0.235 0.100) 4.265 4.887 ( 1.779 -1.679 -2.729) 3.665 5.130 ( 0.101 -0.037 -6.710) 6.711 5.279 ( -4.901 -3.811 6.500) 8.988 5.319 ( 5.341 0.264 -5.888) 7.954 5.722 ( -5.049 5.261 12.789) 14.722 5.862 ( -0.151 7.326 -12.631) 14.603 5.949 ( 6.224 3.107 -5.550) 8.899 6.103 ( -7.849 8.845 11.321) 16.370 7.928 ( -1.673 -2.641 0.101) 3.128 7.994 ( -2.288 -3.053 0.248) 3.823 8.398 ( -1.562 1.348 0.874) 2.241 8.413 ( -0.430 1.942 -1.557) 2.526 8.971 ( 0.513 1.660 -0.398) 1.782 9.068 ( 0.813 1.016 2.155) 2.517 9.148 ( 2.247 1.642 -1.881) 3.359 9.223 ( 2.898 0.529 0.676) 3.022 13.206 ( 0.047 0.762 0.094) 0.769 13.227 ( 0.229 0.624 -0.126) 0.676 13.258 ( -0.221 0.396 0.236) 0.511 13.260 ( -0.473 0.166 -0.045) 0.503 13.390 ( 0.902 0.176 1.108) 1.440 13.428 ( -0.611 0.377 -1.932) 2.062 13.538 ( -0.198 0.080 2.184) 2.195 13.573 ( -1.958 0.527 -1.314) 2.416 23.665 ( -1.668 0.169 -0.069) 1.678 23.831 ( -0.353 -1.206 -2.035) 2.392 23.982 ( -2.568 -5.742 3.607) 7.251 24.136 ( 2.897 -4.449 -2.112) 5.714 25.888 ( 4.384 3.800 -2.748) 6.420 26.024 ( 3.765 -0.339 1.652) 4.126 26.110 ( 2.082 -0.663 -1.946) 2.926 26.289 ( -1.099 1.778 2.020) 2.907 ======================= Grid point 22 (16/70) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 13.168 -5.967 -1.419) 14.526 1.883 ( 17.212 -4.111 -3.960) 18.134 1.999 ( 15.638 -8.493 -1.294) 17.842 2.136 ( 8.249 2.949 -0.865) 8.803 2.253 ( 8.414 0.575 -0.281) 8.438 2.341 ( 7.812 0.777 1.511) 7.994 2.436 ( 5.433 2.270 0.788) 5.941 2.479 ( 3.029 0.982 1.561) 3.546 2.528 ( 2.693 4.187 -1.580) 5.223 2.665 ( 3.835 0.812 3.873) 5.510 2.694 ( 5.176 2.956 -0.760) 6.009 2.958 ( -0.909 8.278 4.392) 9.415 2.997 ( 11.104 -7.157 5.813) 14.433 3.137 ( 7.673 -7.753 -2.462) 11.182 3.318 ( 2.557 -5.677 0.839) 6.283 3.474 ( -0.019 -4.846 -1.951) 5.224 3.602 ( -3.874 0.583 -2.201) 4.493 3.700 ( 4.290 -5.211 -4.624) 8.182 3.770 ( -0.279 -0.554 -4.010) 4.058 3.827 ( -1.833 -5.129 0.497) 5.470 3.906 ( -3.723 0.015 1.763) 4.119 4.007 ( 2.741 0.870 0.468) 2.913 4.070 ( -1.919 1.385 4.170) 4.794 4.173 ( -2.875 -1.096 -1.149) 3.285 4.208 ( -2.406 0.785 -1.337) 2.862 4.340 ( -2.624 -3.194 1.957) 4.573 4.371 ( 2.921 -2.610 -1.568) 4.220 4.466 ( -1.529 -3.041 -4.281) 5.469 4.488 ( -0.507 1.285 -9.741) 9.838 4.560 ( 2.642 0.452 6.777) 7.288 4.578 ( 3.233 -0.410 10.555) 11.046 4.681 ( -2.505 -1.726 1.041) 3.215 4.734 ( -0.708 -4.416 1.918) 4.866 4.758 ( -5.416 -2.334 -1.280) 6.035 4.898 ( -3.025 -1.517 -4.767) 5.846 5.143 ( 3.542 -0.801 -3.985) 5.391 5.326 ( -2.824 -3.134 2.265) 4.788 5.336 ( 0.997 0.116 1.237) 1.593 5.568 ( -3.098 9.509 6.554) 11.957 5.665 ( -2.849 9.162 -7.786) 12.357 5.882 ( 0.791 7.196 1.574) 7.409 5.976 ( -0.285 3.134 0.459) 3.180 7.968 ( -1.578 -3.988 0.002) 4.289 8.028 ( -2.377 -4.016 0.295) 4.676 8.348 ( -1.321 2.758 0.120) 3.060 8.368 ( 0.060 2.692 -0.514) 2.741 8.950 ( 0.550 1.462 0.287) 1.588 9.051 ( 0.768 2.202 0.649) 2.421 9.141 ( 1.793 1.365 -1.025) 2.475 9.238 ( 2.155 1.071 0.456) 2.449 13.189 ( -0.156 1.017 -0.126) 1.037 13.215 ( 0.174 0.981 0.289) 1.037 13.244 ( -0.632 0.486 -0.187) 0.819 13.254 ( 0.062 0.387 0.113) 0.408 13.394 ( 0.463 0.585 0.053) 0.748 13.415 ( 0.117 0.266 -0.132) 0.319 13.537 ( -1.843 0.690 -1.536) 2.496 13.541 ( -0.033 -0.074 1.585) 1.587 23.667 ( -0.897 -1.814 0.458) 2.075 23.844 ( -0.554 -1.408 -2.021) 2.525 24.058 ( -2.214 -5.301 2.892) 6.432 24.242 ( 1.507 -5.103 -1.464) 5.518 25.870 ( 4.261 3.517 -0.972) 5.610 26.031 ( 3.434 4.233 0.309) 5.460 26.123 ( -1.462 -0.533 -0.608) 1.671 26.251 ( -0.099 1.814 1.017) 2.082 ======================= Grid point 23 (17/70) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 5.193 -0.040 -1.640) 5.446 2.099 ( 12.275 -0.050 1.980) 12.434 2.149 ( 7.867 0.864 1.880) 8.135 2.230 ( 5.972 2.149 -2.594) 6.857 2.275 ( 3.042 5.223 0.608) 6.075 2.326 ( 8.754 7.491 -4.237) 12.276 2.456 ( 3.877 3.842 1.087) 5.566 2.471 ( 1.261 2.852 -2.647) 4.090 2.509 ( 7.762 -0.548 3.329) 8.463 2.610 ( 1.194 3.965 -2.698) 4.942 2.773 ( 7.378 2.530 3.274) 8.459 2.784 ( -3.324 9.563 1.065) 10.180 3.119 ( -3.145 0.338 -0.892) 3.287 3.238 ( -11.270 -4.776 0.192) 12.242 3.420 ( 5.143 -1.744 3.501) 6.462 3.559 ( 0.351 -1.457 1.629) 2.214 3.604 ( 3.560 -1.876 -1.323) 4.236 3.769 ( -0.375 -0.403 -3.233) 3.280 3.775 ( 3.001 -5.870 -0.211) 6.596 3.883 ( -5.616 -3.379 2.838) 7.142 3.947 ( 0.162 -2.965 -0.604) 3.030 4.045 ( -0.191 -1.838 2.968) 3.496 4.063 ( 1.098 -0.377 0.630) 1.321 4.139 ( -1.295 0.698 -2.456) 2.863 4.213 ( 0.192 -1.344 2.542) 2.882 4.345 ( -4.332 1.755 -4.133) 6.239 4.370 ( -3.690 0.575 -7.876) 8.717 4.398 ( 1.696 -2.045 0.192) 2.663 4.511 ( -0.850 -1.012 3.468) 3.711 4.566 ( 3.093 -4.050 -1.176) 5.230 4.689 ( -5.177 -0.170 0.663) 5.222 4.703 ( -1.154 -2.452 -2.593) 3.750 4.727 ( 2.973 -1.890 2.339) 4.228 4.824 ( 0.488 -2.265 1.497) 2.758 4.880 ( 1.460 -0.192 2.812) 3.175 5.193 ( 3.480 -0.305 -2.950) 4.572 5.245 ( -1.284 7.198 6.318) 9.663 5.395 ( -2.080 1.357 -2.842) 3.774 5.408 ( -1.742 -0.171 -1.537) 2.329 5.518 ( -1.497 3.544 -0.401) 3.868 5.809 ( 1.481 3.126 1.231) 3.672 5.920 ( -0.990 2.817 -0.548) 3.035 8.027 ( -1.113 -4.847 -0.040) 4.973 8.081 ( -1.516 -4.673 0.260) 4.919 8.283 ( -0.998 3.213 0.026) 3.365 8.320 ( 0.417 3.270 -0.271) 3.308 8.937 ( 0.486 0.864 0.381) 1.062 9.021 ( 0.365 1.984 -0.261) 2.034 9.133 ( 1.147 1.344 -0.182) 1.776 9.239 ( 1.454 1.225 0.203) 1.912 13.172 ( -0.188 0.744 -0.197) 0.792 13.201 ( 0.246 0.900 0.405) 1.017 13.231 ( -0.584 0.180 -0.289) 0.676 13.248 ( 0.142 0.472 0.136) 0.512 13.383 ( -0.012 0.627 -0.685) 0.929 13.420 ( 0.779 0.135 1.329) 1.546 13.505 ( -1.488 0.428 -1.682) 2.286 13.548 ( 0.137 -0.413 0.996) 1.087 23.701 ( -0.102 -2.616 0.441) 2.655 23.853 ( -0.991 -1.048 -1.157) 1.849 24.129 ( -0.723 -4.586 1.403) 4.850 24.321 ( 0.467 -3.036 -0.723) 3.155 25.855 ( 4.199 3.601 -0.445) 5.550 25.981 ( 1.383 4.219 1.208) 4.601 26.089 ( -2.837 1.018 -1.759) 3.490 26.238 ( 0.565 0.438 0.960) 1.198 ======================= Grid point 24 (18/70) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.529 10.016 -1.781) 10.483 2.028 ( 1.315 12.644 -1.067) 12.757 2.154 ( 3.118 6.401 2.263) 7.471 2.232 ( 5.342 2.429 5.007) 7.714 2.268 ( 5.812 0.900 0.587) 5.910 2.302 ( 5.595 15.295 -2.136) 16.425 2.400 ( 5.518 6.205 3.414) 8.978 2.461 ( 2.096 1.408 -1.987) 3.213 2.484 ( -1.324 5.203 -0.005) 5.369 2.603 ( 2.108 0.431 0.662) 2.251 2.669 ( -0.585 0.370 -1.143) 1.336 2.725 ( 1.133 9.491 -7.355) 12.061 3.007 ( -6.604 0.622 -3.402) 7.454 3.103 ( -9.919 6.230 3.310) 12.172 3.490 ( 3.769 1.911 7.431) 8.548 3.587 ( -1.640 -1.458 1.242) 2.522 3.622 ( 2.492 2.652 -1.932) 4.120 3.730 ( -2.505 2.368 -2.848) 4.471 3.830 ( -3.570 0.542 -1.250) 3.821 3.929 ( 5.063 0.396 4.274) 6.637 4.002 ( -0.846 1.352 1.507) 2.195 4.058 ( -1.590 -2.336 -0.278) 2.840 4.066 ( -0.916 -4.987 -2.183) 5.520 4.110 ( -1.965 -1.475 0.155) 2.462 4.211 ( -2.291 3.390 -1.210) 4.267 4.248 ( -1.079 1.162 -3.418) 3.768 4.375 ( -0.629 -3.792 1.599) 4.163 4.478 ( 3.653 -2.689 0.584) 4.574 4.548 ( 0.887 -3.011 0.353) 3.159 4.635 ( -4.294 -1.052 -0.431) 4.441 4.697 ( 4.680 -3.215 -0.230) 5.682 4.735 ( -0.859 -1.352 -0.766) 1.776 4.755 ( -0.405 -0.884 -2.944) 3.100 4.819 ( -3.215 -3.966 -0.533) 5.133 4.939 ( 5.732 3.253 4.837) 8.175 5.124 ( -1.692 3.623 2.640) 4.791 5.226 ( 2.506 0.713 -2.444) 3.572 5.292 ( -1.826 3.218 -0.771) 3.779 5.472 ( -0.551 -3.953 -0.132) 3.994 5.486 ( -0.535 -0.727 0.145) 0.914 5.805 ( 2.761 0.569 -0.100) 2.821 5.868 ( -2.472 0.705 0.191) 2.578 8.108 ( -0.452 -5.645 -0.013) 5.663 8.153 ( -0.335 -4.952 0.119) 4.965 8.222 ( -0.714 2.841 0.024) 2.929 8.264 ( 0.392 3.810 -0.166) 3.833 8.934 ( 0.460 0.071 0.233) 0.521 8.992 ( -0.235 1.422 -0.245) 1.462 9.117 ( 0.486 1.598 0.022) 1.671 9.231 ( 0.766 1.193 0.029) 1.418 13.160 ( -0.131 0.312 -0.125) 0.361 13.195 ( 0.308 0.244 0.392) 0.555 13.222 ( -0.445 0.057 -0.430) 0.622 13.245 ( 0.124 -0.009 0.184) 0.222 13.373 ( 0.002 0.408 -0.347) 0.536 13.431 ( 0.623 -0.061 1.277) 1.422 13.485 ( -0.864 -0.097 -1.410) 1.656 13.562 ( 0.176 -0.844 0.466) 0.980 23.751 ( 0.581 -2.734 0.126) 2.798 23.850 ( -1.065 -0.096 -0.198) 1.087 24.204 ( 0.536 -4.039 0.111) 4.076 24.345 ( -0.336 0.350 -0.063) 0.489 25.832 ( 2.604 3.506 -0.948) 4.469 25.948 ( 1.178 1.603 3.712) 4.211 26.032 ( -2.964 0.896 -3.411) 4.607 26.248 ( 0.427 -0.729 0.685) 1.088 ======================= Grid point 25 (19/70) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 19.471 -0.000) 19.471 1.837 ( 0.000 15.277 -0.000) 15.277 1.979 ( 0.000 18.170 -0.000) 18.170 2.026 ( 0.000 9.269 -0.000) 9.269 2.228 ( 0.000 5.356 -0.000) 5.356 2.309 ( -0.000 -0.287 0.000) 0.287 2.337 ( 0.000 4.296 -0.000) 4.296 2.380 ( 0.000 5.287 -0.000) 5.287 2.443 ( 0.000 6.786 -0.000) 6.786 2.526 ( 0.000 9.022 -0.000) 9.022 2.599 ( 0.000 2.431 -0.000) 2.431 2.658 ( -0.000 -1.308 0.000) 1.308 2.831 ( 0.000 18.302 -0.000) 18.302 3.002 ( -0.000 -2.202 0.000) 2.202 3.435 ( 0.000 10.214 -0.000) 10.214 3.541 ( 0.000 7.012 -0.000) 7.012 3.551 ( -0.000 -0.517 0.000) 0.517 3.736 ( 0.000 6.493 -0.000) 6.493 3.736 ( -0.000 -1.138 0.000) 1.138 3.938 ( -0.000 -0.008 0.000) 0.008 3.962 ( 0.000 1.889 -0.000) 1.889 4.058 ( -0.000 -2.878 0.000) 2.878 4.075 ( 0.000 7.157 -0.000) 7.157 4.144 ( -0.000 -3.147 0.000) 3.147 4.226 ( -0.000 -8.204 0.000) 8.204 4.240 ( 0.000 0.324 -0.000) 0.324 4.452 ( -0.000 -3.980 0.000) 3.980 4.561 ( -0.000 -0.691 0.000) 0.691 4.596 ( -0.000 -4.284 0.000) 4.284 4.640 ( -0.000 -2.533 0.000) 2.533 4.697 ( 0.000 1.515 -0.000) 1.515 4.726 ( 0.000 0.236 -0.000) 0.236 4.781 ( -0.000 -1.357 0.000) 1.357 4.897 ( 0.000 4.816 -0.000) 4.816 4.923 ( -0.000 -7.044 0.000) 7.044 5.082 ( 0.000 2.170 -0.000) 2.170 5.225 ( 0.000 2.943 -0.000) 2.943 5.247 ( -0.000 -1.841 0.000) 1.841 5.501 ( -0.000 -0.941 0.000) 0.941 5.533 ( -0.000 -3.285 0.000) 3.285 5.840 ( -0.000 -0.829 0.000) 0.829 5.846 ( -0.000 -1.277 0.000) 1.277 8.171 ( 0.000 2.559 -0.000) 2.559 8.200 ( 0.000 4.021 -0.000) 4.021 8.204 ( -0.000 -5.812 0.000) 5.812 8.241 ( -0.000 -5.254 0.000) 5.254 8.945 ( -0.000 -0.843 0.000) 0.843 8.968 ( 0.000 1.003 -0.000) 1.003 9.092 ( 0.000 1.690 -0.000) 1.690 9.214 ( 0.000 1.345 -0.000) 1.345 13.159 ( -0.000 -0.212 0.000) 0.212 13.201 ( -0.000 -0.459 0.000) 0.459 13.218 ( -0.000 -0.080 0.000) 0.080 13.251 ( -0.000 -0.548 0.000) 0.548 13.368 ( 0.000 0.215 -0.000) 0.215 13.441 ( -0.000 -0.509 0.000) 0.509 13.484 ( -0.000 -0.475 0.000) 0.475 13.582 ( -0.000 -1.221 0.000) 1.221 23.801 ( -0.000 -2.400 0.000) 2.400 23.835 ( 0.000 0.956 -0.000) 0.956 24.274 ( -0.000 -3.541 0.000) 3.541 24.302 ( 0.000 4.069 -0.000) 4.069 25.796 ( 0.000 1.974 -0.000) 1.974 25.953 ( 0.000 0.827 -0.000) 0.827 26.002 ( -0.000 -1.395 0.000) 1.395 26.275 ( -0.000 -1.995 0.000) 1.995 ======================= Grid point 30 (20/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 18.240 0.000 0.587) 18.249 1.758 ( 20.936 0.000 -3.937) 21.303 1.866 ( 18.633 0.000 -7.011) 19.909 2.141 ( 16.565 0.000 -6.450) 17.776 2.221 ( 7.702 0.000 9.493) 12.224 2.340 ( 3.128 0.000 0.910) 3.258 2.440 ( 1.097 0.000 -2.696) 2.911 2.522 ( 7.817 0.000 6.155) 9.949 2.553 ( 5.719 0.000 3.649) 6.784 2.621 ( 6.417 0.000 7.915) 10.189 2.818 ( 6.369 0.000 -8.653) 10.745 2.970 ( 5.502 0.000 -0.360) 5.514 3.031 ( 15.568 0.000 2.743) 15.808 3.067 ( 0.737 0.000 -1.658) 1.814 3.140 ( 7.148 0.000 7.325) 10.235 3.406 ( -4.732 -0.000 -2.400) 5.306 3.553 ( -3.616 -0.000 0.114) 3.618 3.617 ( 12.160 0.000 -5.489) 13.342 3.771 ( -8.685 -0.000 -3.623) 9.411 3.810 ( 1.558 0.000 -4.029) 4.319 3.928 ( -4.907 -0.000 1.619) 5.167 4.011 ( -0.757 -0.000 0.364) 0.840 4.106 ( 0.249 0.000 -5.344) 5.350 4.158 ( 1.759 0.000 0.531) 1.837 4.171 ( -3.981 -0.000 5.621) 6.888 4.266 ( -0.389 -0.000 1.021) 1.092 4.357 ( -0.426 -0.000 -3.822) 3.845 4.412 ( -2.612 -0.000 -2.194) 3.411 4.431 ( -3.711 -0.000 0.661) 3.769 4.499 ( 11.628 0.000 13.943) 18.155 4.539 ( -0.699 -0.000 -5.873) 5.914 4.588 ( -1.978 -0.000 -0.758) 2.118 4.729 ( -2.893 -0.000 3.253) 4.354 4.790 ( -0.298 -0.000 4.531) 4.540 4.850 ( -3.950 -0.000 -7.227) 8.236 5.133 ( 4.027 0.000 -4.531) 6.062 5.207 ( -4.409 -0.000 6.451) 7.813 5.375 ( 6.224 0.000 -7.826) 10.000 5.734 ( -5.747 -0.000 11.792) 13.117 5.864 ( -4.815 -0.000 -13.923) 14.732 6.026 ( 5.498 0.000 -4.800) 7.298 6.101 ( -10.825 -0.000 12.275) 16.366 7.889 ( -1.380 -0.000 0.146) 1.387 7.943 ( -2.029 -0.000 0.297) 2.050 8.396 ( -1.105 -0.000 0.596) 1.256 8.420 ( -0.677 -0.000 -1.147) 1.332 8.991 ( 0.515 0.000 -0.827) 0.974 9.091 ( 0.853 0.000 2.793) 2.921 9.177 ( 1.249 0.000 -2.240) 2.565 9.262 ( 2.624 0.000 0.668) 2.708 13.213 ( -0.142 -0.000 0.065) 0.156 13.234 ( -0.010 -0.000 0.219) 0.219 13.254 ( -0.517 -0.000 -0.574) 0.773 13.261 ( 0.019 0.000 0.493) 0.493 13.406 ( 1.206 0.000 1.307) 1.779 13.420 ( -0.569 -0.000 -1.670) 1.764 13.540 ( -0.267 -0.000 1.747) 1.767 13.551 ( -2.113 -0.000 -1.393) 2.531 23.650 ( -1.750 -0.000 -0.545) 1.833 23.807 ( -0.569 -0.000 -1.005) 1.155 23.925 ( -0.385 -0.000 2.459) 2.489 24.127 ( 2.709 0.000 -1.290) 3.000 25.961 ( 3.150 0.000 -4.587) 5.564 26.059 ( 4.364 0.000 3.493) 5.590 26.144 ( 2.811 0.000 0.126) 2.814 26.294 ( -1.266 -0.000 0.550) 1.380 ======================= Grid point 31 (21/70) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 13.504 -4.900 0.474) 14.373 1.990 ( 16.082 -3.643 -3.715) 16.903 2.073 ( 16.640 -2.382 -3.267) 17.124 2.272 ( 8.037 1.833 -3.350) 8.898 2.330 ( 5.487 -0.093 2.274) 5.941 2.402 ( 6.881 -2.313 4.795) 8.700 2.454 ( 0.767 -2.275 -2.160) 3.229 2.575 ( 3.161 2.075 3.911) 5.440 2.614 ( 5.665 0.522 -0.846) 5.751 2.714 ( 1.456 -1.558 4.308) 4.807 2.783 ( 1.694 3.400 -4.868) 6.174 2.976 ( -1.148 0.289 1.220) 1.700 3.040 ( -1.790 1.606 4.871) 5.432 3.129 ( 3.389 -2.541 -1.249) 4.416 3.363 ( 4.355 -0.795 -0.738) 4.488 3.431 ( 12.035 -3.512 3.741) 13.083 3.533 ( -0.819 -0.906 1.919) 2.274 3.638 ( -6.584 -0.821 -3.559) 7.529 3.761 ( 6.846 0.019 -4.428) 8.153 3.838 ( 5.547 -1.018 -0.553) 5.667 3.877 ( -2.449 0.678 2.023) 3.248 4.008 ( -1.264 -1.352 -0.578) 1.939 4.087 ( -4.726 0.114 1.166) 4.869 4.130 ( 2.032 1.266 -0.406) 2.428 4.207 ( 1.496 0.790 0.943) 1.937 4.290 ( -1.014 -2.095 4.578) 5.136 4.315 ( -4.646 -1.453 -5.699) 7.495 4.383 ( 0.507 -3.692 -3.664) 5.226 4.445 ( -3.343 -1.619 -7.229) 8.128 4.538 ( -0.545 -0.982 0.175) 1.136 4.586 ( -2.140 -2.443 1.261) 3.484 4.617 ( -0.688 -3.170 2.013) 3.817 4.671 ( -4.778 1.736 3.415) 6.124 4.774 ( -5.500 -1.135 -5.291) 7.715 4.882 ( 12.426 0.301 9.705) 15.770 5.189 ( 7.188 0.042 -3.849) 8.154 5.213 ( -2.717 -3.175 4.896) 6.437 5.398 ( 2.541 1.745 -4.315) 5.303 5.661 ( -4.724 4.541 7.374) 9.865 5.709 ( -7.829 5.246 -11.246) 14.672 5.973 ( -6.369 4.870 7.756) 11.155 6.044 ( 3.230 2.837 -2.834) 5.149 7.897 ( -1.065 -2.435 0.058) 2.659 7.946 ( -1.871 -2.592 0.258) 3.207 8.374 ( -0.842 1.612 0.220) 1.832 8.399 ( -0.345 1.302 -0.570) 1.463 8.982 ( 0.525 1.357 -0.298) 1.486 9.095 ( 0.625 1.447 1.963) 2.517 9.173 ( 0.913 0.925 -1.849) 2.260 9.280 ( 1.828 0.906 0.468) 2.093 13.204 ( -0.210 0.813 -0.046) 0.841 13.229 ( -0.199 0.431 0.622) 0.782 13.245 ( -0.308 0.449 -0.806) 0.973 13.261 ( 0.133 0.222 0.368) 0.449 13.406 ( -0.174 0.553 -0.912) 1.081 13.424 ( 1.115 0.000 1.165) 1.612 13.522 ( -1.987 0.369 -1.467) 2.497 13.542 ( -0.164 -0.054 1.163) 1.176 23.637 ( -0.824 -0.727 -0.034) 1.099 23.810 ( -0.640 -1.120 -1.203) 1.764 23.963 ( -0.671 -3.939 2.019) 4.476 24.181 ( 1.674 -3.486 -0.911) 3.973 25.962 ( 3.260 2.152 -2.239) 4.503 26.111 ( 2.017 0.019 2.082) 2.899 26.139 ( 1.604 3.575 0.263) 3.927 26.272 ( -0.717 0.974 -0.229) 1.231 ======================= Grid point 32 (22/70) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 5.240 -0.270 -0.727) 5.297 2.191 ( 9.992 -3.055 -2.766) 10.808 2.264 ( 8.099 -3.583 -1.870) 9.051 2.301 ( 6.329 3.441 2.815) 7.735 2.339 ( 0.391 1.501 2.948) 3.331 2.431 ( -1.492 0.478 0.239) 1.585 2.537 ( 0.397 2.412 -2.363) 3.400 2.575 ( 2.187 6.564 -0.616) 6.946 2.638 ( 0.346 1.102 -1.797) 2.136 2.649 ( 11.009 0.078 -1.766) 11.150 2.868 ( 3.652 -1.590 8.384) 9.282 2.947 ( -0.649 7.323 0.634) 7.379 3.019 ( -2.883 -5.873 2.990) 7.193 3.097 ( -7.860 4.250 -6.227) 10.891 3.418 ( 1.601 -3.909 -2.471) 4.893 3.489 ( -3.338 -4.929 1.019) 6.040 3.628 ( 2.627 -2.984 -1.427) 4.223 3.724 ( 1.143 -2.042 3.086) 3.873 3.744 ( 7.165 -0.859 1.754) 7.426 3.850 ( 1.614 1.030 2.313) 3.003 3.929 ( -0.992 0.495 0.650) 1.285 4.022 ( 0.075 -1.130 0.809) 1.392 4.076 ( 1.765 -0.095 0.159) 1.775 4.129 ( 0.001 0.220 -0.830) 0.859 4.214 ( 1.685 -0.251 5.403) 5.665 4.244 ( -6.699 -3.050 -6.792) 10.016 4.342 ( -3.744 0.971 -7.194) 8.168 4.400 ( 2.467 -1.536 -0.128) 2.908 4.468 ( -0.592 -4.167 -0.232) 4.215 4.542 ( 2.568 -1.513 0.703) 3.063 4.586 ( -5.891 -2.779 -1.292) 6.640 4.659 ( -0.793 -2.570 -0.809) 2.808 4.667 ( -1.172 -3.207 2.840) 4.441 4.733 ( -5.540 -2.923 -3.639) 7.244 5.044 ( 13.608 2.028 9.764) 16.871 5.240 ( -0.229 -0.266 -1.610) 1.647 5.264 ( 2.972 -1.583 1.760) 3.800 5.353 ( -1.300 2.598 2.599) 3.898 5.462 ( -7.759 6.951 -10.476) 14.773 5.575 ( -1.406 4.685 2.015) 5.290 5.868 ( -1.706 3.415 3.099) 4.917 5.992 ( 1.055 5.180 -1.377) 5.463 7.943 ( -0.607 -3.902 -0.032) 3.949 7.988 ( -1.096 -4.251 0.176) 4.393 8.327 ( -0.537 2.855 0.022) 2.905 8.368 ( 0.036 2.157 -0.187) 2.165 8.962 ( 0.335 1.460 0.078) 1.500 9.066 ( 0.303 2.571 0.339) 2.610 9.163 ( 0.592 1.008 -0.486) 1.266 9.275 ( 0.918 1.394 0.192) 1.680 13.185 ( -0.125 1.026 -0.078) 1.037 13.220 ( 0.080 0.697 0.815) 1.076 13.229 ( -0.349 0.596 -0.838) 1.086 13.258 ( 0.095 0.442 0.161) 0.480 13.392 ( -0.077 0.640 -0.491) 0.811 13.437 ( 1.061 0.282 1.257) 1.669 13.492 ( -1.466 0.385 -1.360) 2.036 13.545 ( -0.026 -0.247 0.554) 0.607 23.658 ( -0.153 -2.224 0.199) 2.238 23.822 ( -0.544 -1.283 -0.818) 1.616 24.039 ( -0.520 -5.174 1.067) 5.308 24.262 ( 0.608 -4.297 -0.477) 4.366 25.959 ( 3.821 2.432 -0.643) 4.575 26.053 ( -2.439 4.612 0.315) 5.226 26.113 ( 1.406 3.259 0.146) 3.552 26.252 ( -0.111 0.700 0.155) 0.725 ======================= Grid point 33 (23/70) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 4.526 -0.000) 4.526 2.239 ( 0.000 6.428 -0.000) 6.428 2.270 ( 0.000 4.650 -0.000) 4.650 2.285 ( 0.000 5.527 -0.000) 5.527 2.334 ( 0.000 1.123 -0.000) 1.123 2.425 ( -0.000 -3.177 0.000) 3.177 2.477 ( 0.000 2.593 -0.000) 2.593 2.499 ( 0.000 1.634 -0.000) 1.634 2.628 ( 0.000 0.670 -0.000) 0.670 2.687 ( 0.000 14.096 -0.000) 14.096 2.830 ( 0.000 8.491 -0.000) 8.491 2.848 ( 0.000 7.769 -0.000) 7.769 2.884 ( -0.000 -1.191 0.000) 1.191 3.117 ( -0.000 -3.262 0.000) 3.262 3.503 ( -0.000 -3.868 0.000) 3.868 3.527 ( -0.000 -2.003 0.000) 2.003 3.678 ( 0.000 1.746 -0.000) 1.746 3.741 ( -0.000 -6.074 0.000) 6.074 3.809 ( 0.000 6.000 -0.000) 6.000 3.903 ( -0.000 -7.586 0.000) 7.586 3.959 ( -0.000 -5.669 0.000) 5.669 4.023 ( 0.000 1.178 -0.000) 1.178 4.061 ( 0.000 3.195 -0.000) 3.195 4.092 ( 0.000 0.938 -0.000) 0.938 4.232 ( 0.000 0.503 -0.000) 0.503 4.263 ( 0.000 1.796 -0.000) 1.796 4.284 ( -0.000 -4.656 0.000) 4.656 4.484 ( -0.000 -0.313 0.000) 0.313 4.503 ( -0.000 -4.175 0.000) 4.175 4.574 ( -0.000 -1.536 0.000) 1.536 4.658 ( -0.000 -7.304 0.000) 7.304 4.694 ( -0.000 -2.916 0.000) 2.916 4.719 ( -0.000 -1.458 0.000) 1.458 4.731 ( -0.000 -2.137 0.000) 2.137 5.111 ( 0.000 8.043 -0.000) 8.043 5.138 ( 0.000 1.982 -0.000) 1.982 5.282 ( 0.000 3.105 -0.000) 3.105 5.321 ( 0.000 2.115 -0.000) 2.115 5.380 ( -0.000 -5.213 0.000) 5.213 5.502 ( 0.000 2.907 -0.000) 2.907 5.831 ( 0.000 0.812 -0.000) 0.812 5.904 ( 0.000 4.943 -0.000) 4.943 8.014 ( -0.000 -4.952 0.000) 4.952 8.063 ( -0.000 -5.115 0.000) 5.115 8.272 ( 0.000 3.228 -0.000) 3.228 8.324 ( 0.000 3.039 -0.000) 3.039 8.944 ( 0.000 0.838 -0.000) 0.838 9.025 ( 0.000 2.356 -0.000) 2.356 9.146 ( 0.000 1.372 -0.000) 1.372 9.257 ( 0.000 1.371 -0.000) 1.371 13.169 ( 0.000 0.754 -0.000) 0.754 13.207 ( 0.000 0.901 -0.000) 0.901 13.221 ( 0.000 0.086 -0.000) 0.086 13.250 ( 0.000 0.460 -0.000) 0.460 13.381 ( 0.000 0.575 -0.000) 0.575 13.440 ( 0.000 0.356 -0.000) 0.356 13.477 ( 0.000 0.087 -0.000) 0.087 13.552 ( -0.000 -0.532 0.000) 0.532 23.703 ( -0.000 -2.977 0.000) 2.977 23.836 ( -0.000 -0.867 0.000) 0.867 24.126 ( -0.000 -5.130 0.000) 5.130 24.325 ( -0.000 -2.566 0.000) 2.566 25.930 ( 0.000 5.767 -0.000) 5.767 25.974 ( 0.000 0.640 -0.000) 0.640 26.054 ( 0.000 3.756 -0.000) 3.756 26.246 ( 0.000 0.089 -0.000) 0.089 ======================= Grid point 40 (24/70) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 8.825 0.000 0.892) 8.870 2.111 ( 11.483 0.000 -1.855) 11.632 2.224 ( 13.779 0.000 -2.396) 13.986 2.306 ( 0.081 0.000 -4.983) 4.984 2.400 ( -2.655 -0.000 -2.255) 3.483 2.432 ( 6.455 0.000 6.713) 9.313 2.472 ( 7.919 0.000 1.142) 8.001 2.613 ( -0.846 -0.000 6.612) 6.666 2.658 ( -5.817 -0.000 -0.818) 5.874 2.663 ( 2.862 0.000 -2.125) 3.565 2.816 ( 0.038 0.000 -4.846) 4.846 3.011 ( 2.815 0.000 6.543) 7.123 3.027 ( -2.487 -0.000 1.482) 2.894 3.123 ( 0.300 0.000 0.126) 0.326 3.327 ( -0.620 -0.000 -4.784) 4.824 3.470 ( -1.272 -0.000 -0.829) 1.518 3.526 ( -7.497 -0.000 -2.302) 7.843 3.719 ( 18.765 0.000 8.545) 20.619 3.820 ( 0.547 0.000 1.256) 1.370 3.876 ( 9.250 0.000 -1.926) 9.448 3.914 ( 3.226 0.000 2.720) 4.220 3.957 ( -1.909 -0.000 -2.151) 2.876 4.051 ( -2.799 -0.000 -0.739) 2.895 4.176 ( 0.659 0.000 3.069) 3.139 4.214 ( -7.077 -0.000 -8.968) 11.424 4.242 ( -0.612 -0.000 0.523) 0.805 4.266 ( 0.921 0.000 4.480) 4.574 4.336 ( 0.092 0.000 -4.966) 4.967 4.386 ( -3.231 -0.000 -1.279) 3.475 4.524 ( 0.158 0.000 -1.744) 1.751 4.551 ( -1.365 -0.000 -0.575) 1.481 4.578 ( -0.054 -0.000 0.480) 0.483 4.648 ( -5.445 -0.000 3.036) 6.234 4.670 ( -5.104 -0.000 -3.778) 6.350 5.029 ( 7.100 0.000 5.435) 8.941 5.220 ( 6.156 0.000 9.744) 11.526 5.271 ( 8.378 0.000 -4.777) 9.644 5.412 ( -1.919 -0.000 -1.336) 2.339 5.617 ( -10.553 -0.000 -12.548) 16.396 5.671 ( -2.714 -0.000 4.934) 5.631 5.960 ( -4.938 -0.000 5.419) 7.331 6.096 ( 2.074 0.000 -1.689) 2.675 7.867 ( -0.544 -0.000 0.046) 0.546 7.909 ( -0.951 -0.000 0.157) 0.964 8.382 ( -0.347 -0.000 0.156) 0.380 8.404 ( -0.324 -0.000 -0.340) 0.470 8.998 ( 0.251 0.000 -0.295) 0.387 9.119 ( 0.465 0.000 1.741) 1.802 9.182 ( 0.221 0.000 -1.579) 1.595 9.304 ( 0.969 0.000 0.271) 1.006 13.209 ( -0.149 -0.000 -0.016) 0.150 13.230 ( -0.327 -0.000 0.347) 0.477 13.247 ( 0.031 0.000 -0.491) 0.492 13.265 ( 0.080 0.000 0.250) 0.263 13.406 ( -0.216 -0.000 -0.601) 0.639 13.442 ( 1.388 0.000 1.251) 1.868 13.500 ( -1.753 -0.000 -1.295) 2.180 13.541 ( -0.115 -0.000 0.605) 0.616 23.622 ( -0.603 -0.000 -0.158) 0.624 23.794 ( -0.252 -0.000 -0.303) 0.394 23.930 ( -0.003 -0.000 0.792) 0.792 24.164 ( 0.945 0.000 -0.388) 1.022 25.996 ( 1.259 0.000 -1.666) 2.089 26.147 ( 1.986 0.000 2.163) 2.936 26.188 ( 0.975 0.000 0.405) 1.056 26.269 ( -0.672 -0.000 -0.939) 1.155 ======================= Grid point 41 (25/70) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 -2.616 0.000) 2.616 2.190 ( -0.000 -1.648 0.000) 1.648 2.309 ( -0.000 -1.745 0.000) 1.745 2.335 ( 0.000 1.002 -0.000) 1.002 2.350 ( -0.000 -1.219 0.000) 1.219 2.465 ( 0.000 2.433 -0.000) 2.433 2.555 ( 0.000 2.335 -0.000) 2.335 2.589 ( -0.000 -5.163 0.000) 5.163 2.648 ( -0.000 -0.148 0.000) 0.148 2.741 ( -0.000 -9.001 0.000) 9.001 2.757 ( 0.000 5.667 -0.000) 5.667 2.999 ( 0.000 1.564 -0.000) 1.564 3.038 ( 0.000 1.497 -0.000) 1.497 3.116 ( 0.000 1.464 -0.000) 1.464 3.367 ( -0.000 -5.330 0.000) 5.330 3.402 ( 0.000 2.450 -0.000) 2.450 3.541 ( -0.000 -4.396 0.000) 4.396 3.766 ( 0.000 2.651 -0.000) 2.651 3.870 ( 0.000 2.123 -0.000) 2.123 3.876 ( 0.000 2.559 -0.000) 2.559 3.929 ( 0.000 1.337 -0.000) 1.337 4.014 ( -0.000 -1.984 0.000) 1.984 4.074 ( -0.000 -5.858 0.000) 5.858 4.119 ( 0.000 1.166 -0.000) 1.166 4.161 ( 0.000 2.370 -0.000) 2.370 4.247 ( -0.000 -2.463 0.000) 2.463 4.291 ( 0.000 1.850 -0.000) 1.850 4.373 ( -0.000 -3.825 0.000) 3.825 4.375 ( -0.000 -4.017 0.000) 4.017 4.515 ( -0.000 -0.615 0.000) 0.615 4.575 ( 0.000 2.052 -0.000) 2.052 4.594 ( -0.000 -4.119 0.000) 4.119 4.617 ( -0.000 -1.900 0.000) 1.900 4.655 ( -0.000 -1.615 0.000) 1.615 5.103 ( -0.000 -4.111 0.000) 4.111 5.259 ( 0.000 4.047 -0.000) 4.047 5.346 ( -0.000 -0.586 0.000) 0.586 5.372 ( 0.000 1.134 -0.000) 1.134 5.465 ( 0.000 5.525 -0.000) 5.525 5.637 ( 0.000 2.908 -0.000) 2.908 5.913 ( 0.000 2.780 -0.000) 2.780 6.076 ( 0.000 3.451 -0.000) 3.451 7.885 ( -0.000 -2.373 0.000) 2.373 7.925 ( -0.000 -2.417 0.000) 2.417 8.365 ( 0.000 1.798 -0.000) 1.798 8.394 ( 0.000 0.999 -0.000) 0.999 8.988 ( 0.000 1.205 -0.000) 1.205 9.107 ( 0.000 1.813 -0.000) 1.813 9.177 ( 0.000 0.433 -0.000) 0.433 9.302 ( 0.000 0.953 -0.000) 0.953 13.201 ( 0.000 0.806 -0.000) 0.806 13.226 ( 0.000 0.190 -0.000) 0.190 13.241 ( 0.000 0.663 -0.000) 0.663 13.264 ( 0.000 0.218 -0.000) 0.218 13.400 ( 0.000 0.400 -0.000) 0.400 13.453 ( 0.000 0.243 -0.000) 0.243 13.484 ( 0.000 0.208 -0.000) 0.208 13.542 ( -0.000 -0.106 0.000) 0.106 23.628 ( -0.000 -1.158 0.000) 1.158 23.799 ( -0.000 -0.810 0.000) 0.810 23.962 ( -0.000 -3.476 0.000) 3.476 24.198 ( -0.000 -3.234 0.000) 3.234 25.996 ( 0.000 0.513 -0.000) 0.513 26.123 ( 0.000 4.188 -0.000) 4.188 26.177 ( 0.000 2.217 -0.000) 2.217 26.260 ( 0.000 0.415 -0.000) 0.415 ======================= Grid point 83 (26/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -2.586 -0.000 23.670) 23.811 0.669 ( 2.590 0.000 29.093) 29.208 0.914 ( 2.713 0.000 23.147) 23.305 1.108 ( 2.081 0.000 -0.220) 2.092 1.282 ( -2.624 -0.000 -25.270) 25.406 1.845 ( -4.542 -0.000 -31.531) 31.856 2.143 ( -1.990 -0.000 8.680) 8.905 2.179 ( -0.281 -0.000 12.639) 12.643 2.211 ( 0.279 0.000 4.969) 4.977 2.298 ( 2.195 0.000 -0.526) 2.257 2.323 ( 0.747 0.000 -8.055) 8.090 2.375 ( 1.185 0.000 -3.450) 3.648 2.380 ( -1.277 -0.000 -3.777) 3.987 2.434 ( 0.815 0.000 -6.480) 6.531 3.323 ( 6.817 0.000 15.241) 16.696 3.468 ( -2.275 -0.000 -1.126) 2.538 3.674 ( -0.507 -0.000 3.908) 3.940 3.695 ( 4.269 0.000 4.613) 6.285 3.765 ( -4.433 -0.000 -4.525) 6.335 3.851 ( -2.779 -0.000 -5.529) 6.188 3.855 ( -1.061 -0.000 3.356) 3.519 3.969 ( -0.189 -0.000 -6.015) 6.017 4.144 ( -1.270 -0.000 4.890) 5.053 4.199 ( -0.125 -0.000 -0.206) 0.241 4.221 ( 3.128 0.000 2.221) 3.836 4.332 ( -2.763 -0.000 -6.967) 7.495 4.560 ( -1.028 -0.000 1.422) 1.755 4.599 ( -0.164 -0.000 -2.828) 2.833 4.612 ( 0.810 0.000 4.629) 4.699 4.646 ( -0.301 -0.000 1.853) 1.878 4.685 ( -0.845 -0.000 -0.644) 1.062 4.692 ( -1.948 -0.000 -1.188) 2.281 4.888 ( -6.064 -0.000 0.943) 6.137 4.953 ( 6.107 0.000 -4.866) 7.808 5.061 ( -6.134 -0.000 4.566) 7.647 5.182 ( 10.473 0.000 -5.763) 11.954 5.296 ( -1.181 -0.000 0.120) 1.187 5.306 ( 0.726 0.000 -0.852) 1.119 5.512 ( -22.799 -0.000 4.758) 23.290 5.604 ( 45.129 0.000 -3.053) 45.232 5.896 ( -7.673 -0.000 7.359) 10.632 6.046 ( 9.817 0.000 -5.207) 11.112 7.970 ( -0.249 -0.000 0.658) 0.704 7.987 ( 0.259 0.000 -0.764) 0.807 8.513 ( 1.529 0.000 1.089) 1.877 8.538 ( -4.252 -0.000 -1.000) 4.368 9.028 ( -2.240 -0.000 0.003) 2.240 9.029 ( 1.169 0.000 -0.153) 1.179 9.041 ( -0.095 -0.000 0.152) 0.180 9.043 ( -0.067 -0.000 -0.011) 0.068 13.197 ( 0.058 0.000 0.487) 0.491 13.213 ( -0.418 -0.000 -0.925) 1.015 13.260 ( 0.481 0.000 0.807) 0.939 13.272 ( -0.306 -0.000 -0.287) 0.419 13.383 ( 0.096 0.000 1.647) 1.650 13.436 ( 0.033 0.000 -2.955) 2.955 13.580 ( 0.583 0.000 2.898) 2.956 13.632 ( -0.267 -0.000 -1.667) 1.689 23.838 ( 0.471 0.000 0.043) 0.473 23.840 ( -0.512 -0.000 -0.058) 0.515 23.975 ( 2.805 0.000 0.501) 2.850 23.987 ( -7.465 -0.000 -0.485) 7.481 25.854 ( 2.249 0.000 0.257) 2.264 25.861 ( -2.379 -0.000 -0.282) 2.396 26.233 ( -27.924 -0.000 0.595) 27.930 26.247 ( 8.139 0.000 -0.571) 8.159 ======================= Grid point 84 (27/70) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 7.579 -14.014 15.811) 22.446 0.962 ( 5.643 -19.777 19.946) 28.650 1.158 ( 12.639 -8.992 -15.969) 22.262 1.212 ( -7.197 -6.722 -22.867) 24.898 1.455 ( 18.788 -19.264 27.786) 38.680 1.909 ( 7.646 -9.689 -14.293) 18.885 2.163 ( 2.850 -2.602 3.930) 5.508 2.252 ( 3.536 -2.135 2.304) 4.730 2.281 ( 1.753 0.596 -4.261) 4.646 2.300 ( -0.794 -8.232 5.128) 9.730 2.337 ( 3.323 2.371 -5.548) 6.888 2.379 ( 2.838 -1.225 2.304) 3.856 2.407 ( 1.084 -3.640 -4.489) 5.880 2.555 ( 8.041 -9.293 -6.573) 13.936 3.394 ( -6.155 3.310 -2.743) 7.508 3.417 ( 4.936 0.803 7.713) 9.192 3.602 ( 0.262 6.392 4.351) 7.737 3.651 ( -0.511 3.205 -1.740) 3.683 3.752 ( -1.207 2.616 -1.911) 3.457 3.787 ( 6.759 -1.061 5.017) 8.484 3.943 ( -3.057 -6.684 -0.628) 7.376 3.999 ( -2.237 -3.659 -4.286) 6.063 4.200 ( 3.254 -2.938 6.533) 7.867 4.219 ( -1.032 -0.090 3.973) 4.106 4.270 ( -2.964 -1.365 -4.358) 5.444 4.294 ( -0.383 -2.611 -5.836) 6.405 4.495 ( -3.211 4.109 1.548) 5.440 4.535 ( -3.954 2.112 0.829) 4.558 4.595 ( -5.062 0.017 0.021) 5.062 4.653 ( -2.716 -3.360 -0.363) 4.336 4.685 ( 2.048 -0.004 1.194) 2.371 4.743 ( 0.655 -2.006 -0.704) 2.224 4.814 ( -5.474 0.169 0.152) 5.479 4.960 ( 0.991 2.127 -3.513) 4.225 4.982 ( -4.743 2.416 0.309) 5.332 5.158 ( -4.830 0.163 0.276) 4.840 5.307 ( -0.603 -0.684 0.139) 0.922 5.333 ( 3.163 -3.689 -1.957) 5.239 5.400 ( 6.514 3.573 -0.037) 7.430 5.809 ( -5.981 3.233 6.453) 9.374 5.884 ( 13.958 2.877 -6.203) 15.543 6.046 ( 11.684 15.064 -2.255) 19.197 7.999 ( -0.969 -3.420 0.728) 3.628 8.039 ( 0.362 -3.813 -1.877) 4.265 8.440 ( -3.564 3.473 1.899) 5.327 8.496 ( 0.016 2.993 1.217) 3.231 8.999 ( -1.167 1.509 0.332) 1.937 9.022 ( 0.769 1.773 -0.589) 2.021 9.045 ( 0.921 0.139 0.280) 0.972 9.081 ( 3.149 -1.959 -1.473) 3.990 13.198 ( 0.271 0.348 0.716) 0.841 13.207 ( -0.147 0.239 -0.866) 0.910 13.264 ( -0.181 0.367 -0.195) 0.453 13.269 ( 0.636 0.243 0.456) 0.819 13.387 ( 0.144 0.121 1.703) 1.713 13.421 ( -0.320 0.552 -2.481) 2.562 13.582 ( 0.070 0.731 2.775) 2.871 13.615 ( -0.733 0.740 -1.937) 2.199 23.784 ( -2.352 1.736 -0.086) 2.925 23.842 ( 2.610 -0.181 -0.850) 2.751 23.984 ( -4.872 -7.408 4.614) 9.995 24.165 ( -0.740 -11.075 -5.468) 12.373 25.803 ( -4.708 -0.041 2.078) 5.146 25.902 ( 4.282 -0.550 0.681) 4.371 26.091 ( -12.014 -5.955 -0.005) 13.409 26.313 ( 6.240 2.683 3.714) 7.741 ======================= Grid point 85 (28/70) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 10.553 -18.515 4.875) 21.862 1.262 ( -0.983 -11.517 -17.190) 20.715 1.392 ( 11.204 -12.830 -3.812) 17.455 1.456 ( 11.701 -14.521 5.614) 19.476 2.074 ( 5.718 -5.138 9.980) 12.597 2.114 ( 14.456 -17.821 15.423) 27.648 2.200 ( 0.961 -2.341 1.543) 2.964 2.284 ( 2.120 2.833 -6.502) 7.402 2.353 ( 5.519 -1.618 0.336) 5.761 2.435 ( 2.490 -8.484 5.033) 10.174 2.447 ( 2.636 -3.872 6.291) 7.843 2.488 ( 2.417 -5.381 -3.858) 7.049 2.572 ( 12.259 -17.386 -12.591) 24.720 2.834 ( 10.114 -12.499 -12.932) 20.634 3.212 ( -6.263 7.654 0.963) 9.937 3.435 ( -1.888 -1.195 1.112) 2.495 3.576 ( 2.218 0.343 -0.535) 2.308 3.623 ( 3.584 2.024 2.569) 4.852 3.726 ( 2.415 0.506 0.017) 2.468 3.864 ( 3.655 1.184 -1.608) 4.165 4.011 ( -2.765 -1.705 1.182) 3.457 4.026 ( 0.638 -4.153 0.530) 4.235 4.175 ( -3.850 1.284 3.984) 5.687 4.222 ( -3.674 -1.194 -3.277) 5.065 4.298 ( 1.920 0.403 5.927) 6.244 4.315 ( -0.302 -1.079 -4.445) 4.584 4.414 ( -2.467 0.414 -1.296) 2.817 4.480 ( -0.499 1.219 2.093) 2.473 4.533 ( -6.701 -1.143 -1.332) 6.927 4.627 ( -7.552 -0.079 -0.587) 7.575 4.705 ( -1.313 -3.412 -2.579) 4.474 4.768 ( 3.638 -0.895 -0.411) 3.769 4.819 ( -0.480 -0.006 2.324) 2.373 4.910 ( -1.166 1.290 -2.478) 3.027 4.957 ( 0.377 -1.874 -1.318) 2.322 5.119 ( -2.052 1.601 -0.419) 2.636 5.312 ( -0.058 0.689 5.215) 5.260 5.404 ( 5.079 3.419 -3.756) 7.183 5.437 ( 7.953 0.234 -0.569) 7.977 5.692 ( -4.171 5.337 5.016) 8.429 5.867 ( -2.074 9.651 1.033) 9.925 5.925 ( 5.780 2.574 -2.669) 6.867 8.051 ( -1.383 -3.956 0.187) 4.195 8.091 ( -0.259 -2.762 -0.465) 2.813 8.364 ( -0.927 3.505 0.492) 3.658 8.429 ( -0.351 4.637 0.677) 4.699 8.954 ( -0.404 2.102 -0.201) 2.150 9.007 ( 0.040 0.515 -0.164) 0.542 9.058 ( 1.217 -0.080 0.370) 1.275 9.137 ( 2.317 -1.305 -1.350) 2.982 13.190 ( -0.029 0.760 0.075) 0.764 13.200 ( 0.312 0.710 0.034) 0.777 13.251 ( -0.262 0.629 -0.462) 0.823 13.270 ( 0.281 0.546 0.588) 0.850 13.390 ( 0.020 0.264 1.019) 1.053 13.405 ( -0.039 0.359 -1.239) 1.290 13.574 ( -0.111 0.866 2.246) 2.410 13.584 ( -1.045 1.189 -1.991) 2.544 23.751 ( -2.202 -0.712 -0.419) 2.352 23.869 ( 0.828 -0.338 0.241) 0.926 24.081 ( -1.980 -7.118 1.312) 7.504 24.275 ( -1.353 -5.018 -1.982) 5.562 25.779 ( -1.895 -0.307 1.171) 2.249 25.932 ( 2.866 2.550 2.552) 4.608 26.085 ( -3.321 -3.899 -4.506) 6.822 26.303 ( 1.607 4.058 2.943) 5.264 ======================= Grid point 86 (29/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.729 -12.253 -7.428) 15.431 1.594 ( 8.870 -15.937 0.886) 18.261 1.672 ( 9.499 -10.773 -5.965) 15.552 1.843 ( 8.183 -12.971 12.087) 19.527 2.105 ( 0.390 1.217 1.454) 1.936 2.179 ( -0.003 1.427 -0.184) 1.439 2.247 ( 2.065 2.742 1.037) 3.586 2.418 ( 1.666 -1.150 -0.427) 2.069 2.488 ( -0.202 -2.831 2.610) 3.856 2.532 ( 2.696 -2.018 2.385) 4.126 2.590 ( 3.539 -3.266 -1.679) 5.100 2.772 ( 8.465 -9.562 2.267) 12.971 2.811 ( 0.387 -1.797 -6.674) 6.923 3.053 ( 9.037 -14.350 -0.576) 16.968 3.291 ( 13.137 -12.213 -2.559) 18.119 3.484 ( -0.543 -6.594 1.567) 6.799 3.569 ( -1.854 -1.362 -3.706) 4.362 3.702 ( 10.188 0.488 4.539) 11.164 3.762 ( -1.231 -2.929 0.225) 3.185 3.836 ( -1.048 1.849 -3.358) 3.974 3.986 ( -1.013 3.324 2.832) 4.483 4.019 ( -1.554 0.080 -0.249) 1.576 4.202 ( -0.983 -1.142 0.511) 1.591 4.227 ( -0.395 -3.193 -2.261) 3.932 4.249 ( -2.391 2.809 -0.186) 3.693 4.302 ( 0.795 1.653 -3.043) 3.553 4.417 ( -0.179 -0.289 5.514) 5.525 4.471 ( -1.385 0.910 -1.432) 2.190 4.508 ( -2.833 -3.393 0.792) 4.490 4.564 ( -5.175 -1.602 -0.313) 5.427 4.741 ( -1.207 -2.299 -3.461) 4.326 4.776 ( -2.260 2.421 3.196) 4.603 4.819 ( 1.663 -1.571 -0.910) 2.462 4.889 ( -0.353 0.742 -0.992) 1.288 4.984 ( 0.607 2.880 -0.212) 2.950 5.071 ( -1.653 -1.837 -3.323) 4.141 5.268 ( 3.039 9.327 7.940) 12.620 5.363 ( 2.236 4.559 -3.303) 6.057 5.492 ( 2.250 0.091 1.150) 2.529 5.581 ( -1.298 3.922 -0.204) 4.136 5.738 ( -5.115 0.345 0.841) 5.195 5.928 ( 2.144 1.661 -0.539) 2.765 8.104 ( -1.207 -4.104 -0.229) 4.284 8.130 ( -0.560 -2.645 0.125) 2.706 8.294 ( -0.172 4.221 0.057) 4.225 8.345 ( -0.118 4.937 0.251) 4.945 8.925 ( -0.310 0.904 -0.010) 0.956 9.003 ( 0.076 -0.030 -0.066) 0.106 9.073 ( 0.861 -0.163 0.348) 0.942 9.169 ( 1.168 -0.615 -0.839) 1.564 13.178 ( 0.008 0.644 0.036) 0.645 13.189 ( 0.126 0.748 0.087) 0.763 13.238 ( 0.056 0.565 -0.424) 0.709 13.260 ( -0.197 0.664 0.426) 0.814 13.380 ( -0.386 0.430 -0.795) 0.983 13.407 ( 0.597 -0.027 1.197) 1.338 13.545 ( -1.198 1.189 -2.111) 2.703 13.565 ( -0.001 0.659 1.719) 1.841 23.748 ( -1.550 -1.240 -0.407) 2.026 23.874 ( -0.147 0.074 0.755) 0.773 24.172 ( -0.529 -4.723 -0.970) 4.850 24.318 ( -0.862 -2.206 0.385) 2.400 25.761 ( -0.803 0.934 0.011) 1.232 25.916 ( 1.001 1.698 2.935) 3.535 26.113 ( 0.542 -1.760 -4.093) 4.488 26.249 ( -0.301 3.276 1.736) 3.720 ======================= Grid point 87 (30/70) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 8.160 -8.415 1.328) 11.797 1.853 ( 3.380 -8.909 2.595) 9.876 1.977 ( 6.545 -12.317 -3.103) 14.289 2.014 ( -2.209 3.240 -0.646) 3.974 2.098 ( 0.306 -1.535 2.653) 3.080 2.162 ( -1.022 0.590 2.360) 2.638 2.263 ( 5.502 -1.166 6.306) 8.450 2.377 ( -6.237 5.191 -5.010) 9.536 2.456 ( -2.414 5.546 -6.154) 8.629 2.507 ( -4.263 2.327 -5.037) 6.997 2.570 ( 1.772 1.389 1.870) 2.927 2.702 ( 2.329 -1.134 -2.097) 3.333 3.144 ( 8.194 -5.045 5.516) 11.092 3.339 ( 4.385 -8.047 3.117) 9.680 3.507 ( 1.800 -0.718 -0.461) 1.992 3.617 ( -0.638 -5.405 2.718) 6.083 3.636 ( 3.425 -4.833 -3.551) 6.907 3.789 ( -3.578 -4.338 -0.626) 5.658 3.797 ( 8.880 2.669 2.723) 9.664 3.832 ( -1.733 -4.666 -2.434) 5.540 3.940 ( 0.644 1.111 1.285) 1.817 4.044 ( 2.148 -1.169 -1.460) 2.849 4.129 ( -0.087 3.713 -2.880) 4.699 4.187 ( -3.832 -0.381 3.399) 5.136 4.229 ( 0.469 2.579 0.060) 2.622 4.319 ( -2.214 0.649 -3.900) 4.531 4.412 ( -3.569 -4.100 -0.239) 5.441 4.439 ( 1.995 2.128 -1.806) 3.430 4.505 ( -3.675 -0.257 -0.926) 3.799 4.619 ( 2.953 -3.825 3.735) 6.107 4.702 ( -2.450 3.451 0.928) 4.333 4.744 ( 1.859 1.554 -0.084) 2.425 4.841 ( -2.799 0.501 0.175) 2.849 4.858 ( 0.326 -0.679 -1.388) 1.579 4.912 ( -1.005 2.334 -0.848) 2.679 5.117 ( -0.593 -1.635 -0.899) 1.958 5.139 ( 2.308 6.374 3.622) 7.686 5.312 ( -0.048 1.601 -0.369) 1.643 5.496 ( -1.107 0.206 0.672) 1.311 5.543 ( 0.783 0.725 -0.929) 1.414 5.723 ( -1.185 -1.114 0.408) 1.676 5.919 ( 0.566 0.728 -0.119) 0.930 8.162 ( -0.680 -4.067 -0.555) 4.161 8.173 ( -0.644 -2.986 0.515) 3.097 8.220 ( 0.290 4.513 0.095) 4.523 8.270 ( 0.208 3.667 0.021) 3.673 8.914 ( -0.103 0.236 0.155) 0.300 9.006 ( 0.049 -0.193 -0.143) 0.245 9.081 ( 0.238 -0.030 0.306) 0.389 9.182 ( 0.408 -0.111 -0.538) 0.684 13.170 ( -0.111 0.199 0.140) 0.268 13.181 ( 0.142 0.298 -0.106) 0.347 13.232 ( 0.218 0.271 -0.256) 0.432 13.249 ( -0.287 0.311 0.270) 0.502 13.368 ( -0.282 0.245 -0.625) 0.728 13.421 ( 0.702 -0.289 1.555) 1.730 13.510 ( -1.047 0.786 -1.951) 2.350 13.563 ( 0.227 0.142 1.025) 1.059 23.750 ( -0.656 -0.328 0.096) 0.740 23.875 ( 0.114 -0.341 -0.260) 0.444 24.212 ( -0.614 -0.832 0.156) 1.046 24.343 ( 0.101 -1.226 -0.141) 1.238 25.737 ( -0.358 0.775 -0.429) 0.955 25.919 ( 0.634 0.033 3.113) 3.178 26.123 ( -0.268 -0.128 -3.697) 3.709 26.212 ( 0.317 1.104 1.233) 1.685 ======================= Grid point 88 (31/70) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -7.444 7.900 -2.289) 11.094 1.900 ( -6.129 4.015 0.002) 7.327 1.946 ( -1.906 10.144 0.005) 10.321 1.998 ( -2.430 6.374 -0.759) 6.863 2.094 ( 2.851 -6.073 6.844) 9.584 2.201 ( 2.587 -6.365 -0.362) 6.880 2.295 ( 1.896 -1.056 2.974) 3.682 2.341 ( -3.539 2.879 -5.545) 7.181 2.403 ( 2.084 -0.176 0.394) 2.128 2.446 ( 0.400 -2.558 -4.769) 5.426 2.551 ( -0.640 2.098 2.979) 3.699 2.718 ( -1.844 -0.497 -2.385) 3.056 3.140 ( -6.598 8.273 5.799) 12.066 3.410 ( 0.605 2.277 -0.963) 2.545 3.491 ( 0.038 2.202 0.997) 2.418 3.555 ( -14.605 4.041 -2.689) 15.390 3.667 ( 1.264 4.130 4.146) 5.987 3.808 ( 1.188 2.019 -0.082) 2.344 3.819 ( 1.545 0.637 -2.899) 3.346 3.869 ( -1.276 -0.933 -0.947) 1.843 3.952 ( 0.889 -1.393 -0.265) 1.673 4.050 ( 0.355 -0.111 -2.520) 2.548 4.079 ( -1.229 2.964 -1.389) 3.496 4.192 ( 0.551 4.460 2.635) 5.209 4.221 ( -0.044 -4.831 1.893) 5.189 4.277 ( 1.171 0.806 -1.166) 1.838 4.415 ( -1.278 -0.867 -1.143) 1.921 4.445 ( 4.581 0.967 -2.102) 5.132 4.466 ( 0.083 1.386 2.049) 2.475 4.645 ( 0.951 1.636 2.285) 2.966 4.712 ( -0.811 -2.885 -2.406) 3.843 4.765 ( 2.302 -1.614 1.477) 3.176 4.847 ( 1.217 -1.305 -1.054) 2.072 4.866 ( -2.850 -1.783 -2.736) 4.334 4.890 ( -0.386 -2.447 1.633) 2.967 5.044 ( 2.644 5.398 3.306) 6.860 5.209 ( 0.856 -4.523 -0.512) 4.631 5.325 ( -1.688 -5.544 -1.048) 5.890 5.486 ( -0.258 0.117 1.268) 1.300 5.535 ( 0.110 0.965 -0.596) 1.140 5.728 ( 0.729 0.146 0.152) 0.759 5.921 ( -0.082 -0.646 -0.230) 0.691 8.151 ( 0.789 4.216 0.245) 4.296 8.181 ( 0.749 2.584 -0.132) 2.694 8.228 ( -0.469 -4.428 -0.446) 4.475 8.262 ( -0.413 -3.351 0.520) 3.416 8.915 ( 0.243 -0.165 0.122) 0.318 9.009 ( -0.014 -0.115 -0.281) 0.304 9.080 ( -0.491 0.125 0.398) 0.644 9.180 ( -0.169 0.307 -0.460) 0.578 13.169 ( -0.308 -0.281 0.164) 0.448 13.183 ( 0.376 -0.307 -0.197) 0.524 13.231 ( -0.202 -0.162 -0.165) 0.307 13.249 ( 0.191 -0.350 0.228) 0.459 13.363 ( -0.081 0.028 -0.205) 0.222 13.438 ( 0.443 -0.561 0.952) 1.190 13.489 ( -0.455 0.136 -1.035) 1.139 13.571 ( 0.474 -0.484 0.299) 0.740 23.745 ( 0.607 0.820 0.326) 1.071 23.885 ( -0.013 -0.622 -0.759) 0.981 24.198 ( 0.374 1.993 0.857) 2.202 24.351 ( 0.111 0.519 -0.563) 0.773 25.732 ( -0.088 -0.644 -0.122) 0.661 25.940 ( 0.658 -0.834 2.452) 2.672 26.097 ( -2.522 0.253 -2.426) 3.508 26.224 ( 1.711 -0.822 0.174) 1.906 ======================= Grid point 89 (32/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -14.972 14.667 -3.899) 21.318 1.557 ( -9.716 17.015 1.115) 19.626 1.717 ( -6.456 11.294 -7.943) 15.242 2.004 ( 1.436 0.133 8.601) 8.721 2.131 ( -1.852 8.522 -10.752) 13.844 2.223 ( -2.047 1.781 -5.253) 5.912 2.268 ( -1.499 1.456 11.453) 11.642 2.368 ( -1.051 -0.275 0.282) 1.122 2.386 ( 2.761 -3.710 8.449) 9.632 2.501 ( -3.177 2.553 4.256) 5.892 2.538 ( 0.199 -1.481 -2.658) 3.049 2.658 ( -6.012 2.984 -2.968) 7.338 2.790 ( -12.285 17.772 8.625) 23.262 3.201 ( -16.001 11.238 -15.534) 24.973 3.328 ( -5.857 5.907 0.415) 8.328 3.463 ( -0.385 2.505 1.886) 3.159 3.540 ( 0.085 7.208 1.231) 7.313 3.755 ( -2.288 2.200 -0.534) 3.219 3.787 ( -4.627 0.963 -0.391) 4.742 3.839 ( 3.210 2.204 -5.122) 6.434 3.998 ( -0.710 -1.548 1.345) 2.170 4.027 ( 0.974 0.883 1.663) 2.120 4.104 ( 1.742 2.914 3.108) 4.602 4.158 ( 3.621 -4.689 3.674) 6.971 4.257 ( 0.211 1.088 0.623) 1.271 4.292 ( -2.266 -3.019 -2.536) 4.547 4.432 ( 3.138 -0.064 0.297) 3.152 4.469 ( 3.707 1.304 3.034) 4.965 4.535 ( 6.148 -2.089 -3.351) 7.307 4.649 ( 1.407 1.306 -3.415) 3.918 4.681 ( -2.518 0.346 0.491) 2.589 4.770 ( 0.019 3.758 2.365) 4.440 4.861 ( 0.082 -2.828 -3.859) 4.785 4.871 ( 0.998 1.549 0.864) 2.035 4.999 ( 2.471 1.673 2.194) 3.704 5.005 ( -1.664 -6.071 -1.495) 6.470 5.254 ( -1.997 -1.370 4.141) 4.797 5.424 ( -4.271 -4.258 -1.861) 6.311 5.517 ( 3.579 1.779 -3.291) 5.177 5.532 ( -1.281 -8.856 3.984) 9.795 5.756 ( 1.954 -2.232 0.305) 2.983 5.930 ( -0.493 -0.651 -0.772) 1.124 8.095 ( 1.127 3.784 0.262) 3.957 8.138 ( 0.793 2.982 -0.319) 3.102 8.301 ( 0.261 -4.328 -0.462) 4.360 8.335 ( -0.349 -4.999 0.933) 5.097 8.926 ( 0.689 -0.543 -0.031) 0.878 9.009 ( 0.045 -0.101 -0.434) 0.448 9.069 ( -1.404 0.103 0.621) 1.539 9.165 ( -0.790 0.742 -0.632) 1.255 13.174 ( -0.322 -0.644 0.181) 0.743 13.198 ( 0.463 -0.805 -0.300) 0.975 13.233 ( -0.475 -0.647 -0.113) 0.810 13.262 ( 0.350 -0.585 0.280) 0.737 13.364 ( 0.089 -0.125 0.278) 0.318 13.446 ( -0.395 -0.411 -1.469) 1.576 13.497 ( 0.690 -0.737 1.604) 1.895 13.590 ( 0.606 -0.955 -0.385) 1.195 23.741 ( 1.963 1.355 0.035) 2.385 23.883 ( -1.215 0.106 0.212) 1.238 24.168 ( 2.807 3.510 -0.743) 4.555 24.320 ( -0.360 2.928 0.206) 2.957 25.753 ( -0.035 -1.594 0.488) 1.667 25.974 ( 1.818 -1.043 1.722) 2.712 26.053 ( -4.058 -0.013 -2.332) 4.680 26.274 ( 2.124 -2.528 -0.073) 3.302 ======================= Grid point 90 (33/70) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -12.626 17.269 2.826) 21.578 1.143 ( -13.123 17.987 7.183) 23.395 1.425 ( -6.266 10.788 -15.077) 19.569 1.822 ( -4.637 16.287 -15.468) 22.935 2.011 ( -14.893 24.718 16.083) 33.037 2.046 ( -2.414 2.108 8.260) 8.860 2.189 ( -3.193 1.501 1.310) 3.764 2.260 ( -0.194 4.145 7.213) 8.321 2.376 ( -3.724 3.122 0.731) 4.914 2.435 ( -0.213 2.342 0.463) 2.397 2.492 ( -3.718 2.493 11.523) 12.362 2.538 ( -4.269 3.127 -3.502) 6.346 2.562 ( -8.003 3.217 -7.073) 11.154 2.757 ( -14.814 12.379 -23.254) 30.224 3.198 ( -2.799 2.429 4.211) 5.609 3.418 ( 1.965 1.767 2.818) 3.864 3.513 ( 3.587 0.907 2.539) 4.488 3.702 ( -4.392 -0.656 -1.456) 4.673 3.742 ( -4.962 -1.484 -0.824) 5.244 3.817 ( 2.214 1.789 -1.592) 3.261 3.987 ( 3.564 3.116 3.183) 5.705 4.066 ( 1.250 -1.685 0.848) 2.263 4.115 ( -0.610 1.152 2.872) 3.153 4.235 ( -2.998 -1.071 0.187) 3.189 4.262 ( 2.441 -1.540 -0.356) 2.909 4.338 ( 4.380 -3.795 0.285) 5.803 4.452 ( 4.768 2.667 1.542) 5.677 4.492 ( 0.357 1.658 -3.419) 3.816 4.588 ( 0.838 -1.436 -4.064) 4.391 4.627 ( 1.647 -0.365 0.345) 1.722 4.672 ( 5.261 3.514 -2.032) 6.645 4.729 ( -0.965 0.275 3.168) 3.323 4.835 ( -1.657 2.150 1.206) 2.970 4.908 ( 3.366 -0.121 -3.070) 4.557 4.969 ( 3.771 2.233 -1.566) 4.653 5.093 ( -4.286 -6.060 0.353) 7.431 5.238 ( -4.947 0.009 6.251) 7.971 5.390 ( -4.517 0.473 2.064) 4.988 5.515 ( 7.359 4.606 -6.136) 10.631 5.703 ( -8.168 -12.266 3.663) 15.185 5.845 ( -1.248 -6.449 3.900) 7.639 5.930 ( 0.902 -0.344 -3.750) 3.872 8.046 ( 1.221 3.658 0.360) 3.873 8.095 ( 0.570 3.068 -0.640) 3.185 8.378 ( 1.366 -3.924 -0.593) 4.197 8.420 ( -0.652 -5.304 1.505) 5.552 8.950 ( 1.079 -1.273 0.016) 1.669 9.013 ( 0.353 -0.179 -0.546) 0.675 9.051 ( -2.353 -0.443 0.741) 2.506 9.134 ( -1.479 1.182 -1.149) 2.215 13.184 ( -0.207 -0.718 0.254) 0.789 13.215 ( 0.097 -0.834 -0.683) 1.083 13.241 ( -0.271 -0.775 0.263) 0.862 13.274 ( 0.106 -0.422 0.193) 0.476 13.370 ( 0.163 -0.189 0.794) 0.832 13.442 ( -0.466 -0.345 -2.477) 2.544 13.527 ( 0.927 -0.972 2.748) 3.059 13.612 ( 0.530 -1.058 -0.960) 1.523 23.746 ( 2.839 1.003 -0.105) 3.012 23.856 ( -2.251 0.666 0.841) 2.493 24.130 ( 3.723 5.592 -1.000) 6.792 24.252 ( 0.718 4.942 -1.080) 5.110 25.782 ( 0.378 -1.347 0.818) 1.621 25.978 ( -2.735 2.367 2.376) 4.328 26.049 ( 2.127 -3.650 -4.258) 5.998 26.352 ( 1.423 -4.180 -0.286) 4.425 ======================= Grid point 91 (34/70) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.028 13.736 20.444) 24.630 0.731 ( -13.091 14.738 16.087) 25.443 1.161 ( -5.779 9.281 -16.472) 19.770 1.351 ( -18.019 26.208 23.898) 39.783 1.469 ( -1.852 13.879 -20.097) 24.493 2.059 ( -10.286 -1.272 -0.037) 10.364 2.118 ( -2.435 6.129 -1.497) 6.763 2.188 ( -0.392 -0.598 2.307) 2.415 2.291 ( -3.341 4.644 3.419) 6.664 2.326 ( -3.202 5.059 -1.817) 6.257 2.361 ( -3.650 3.463 -7.920) 9.383 2.409 ( -2.510 1.970 -0.387) 3.214 2.459 ( -4.136 2.614 -5.610) 7.444 2.490 ( -2.478 4.123 -7.640) 9.028 3.220 ( 3.612 -0.596 14.179) 14.644 3.454 ( 1.475 -1.661 1.333) 2.591 3.580 ( 3.343 -3.719 2.039) 5.401 3.682 ( -2.225 -0.906 1.366) 2.763 3.727 ( -4.663 -4.994 -2.478) 7.268 3.827 ( 1.217 -0.247 0.845) 1.502 3.955 ( 4.607 7.776 0.728) 9.068 4.032 ( -3.884 1.034 -5.406) 6.737 4.131 ( -0.227 -1.476 5.361) 5.565 4.203 ( -1.223 1.075 1.411) 2.155 4.292 ( 0.830 2.827 -2.109) 3.624 4.380 ( -0.964 2.467 -6.866) 7.359 4.491 ( 2.432 -6.076 2.159) 6.892 4.528 ( 6.665 -0.708 2.396) 7.118 4.603 ( -0.334 -1.139 -3.169) 3.384 4.643 ( 6.092 2.916 1.884) 7.011 4.697 ( -0.738 -0.508 2.144) 2.323 4.730 ( 0.641 1.195 -0.956) 1.659 4.812 ( 3.389 -2.541 0.633) 4.282 4.926 ( 4.493 1.672 -2.284) 5.310 5.016 ( 5.877 -2.430 -2.796) 6.947 5.117 ( -6.933 -2.942 3.381) 8.256 5.210 ( 1.289 0.484 5.008) 5.194 5.334 ( -3.789 1.007 1.079) 4.066 5.472 ( 9.684 9.670 -5.491) 14.746 5.718 ( -16.948 -4.109 5.961) 18.430 5.922 ( -7.421 -5.572 7.440) 11.894 5.968 ( 2.533 -2.706 -5.567) 6.688 7.999 ( 0.635 3.202 0.729) 3.345 8.037 ( 0.515 4.151 -1.685) 4.509 8.459 ( 2.495 -3.007 -0.168) 3.911 8.504 ( -1.355 -5.279 1.290) 5.601 8.994 ( 0.738 -2.597 0.576) 2.761 9.020 ( 0.783 -0.008 -0.454) 0.905 9.041 ( -2.307 -1.355 0.314) 2.694 9.088 ( -1.966 1.559 -1.758) 3.064 13.193 ( -0.067 -0.425 0.362) 0.562 13.221 ( -0.404 -0.279 -1.122) 1.225 13.253 ( 0.211 -0.360 0.644) 0.767 13.277 ( -0.433 -0.067 -0.110) 0.452 13.377 ( 0.148 -0.152 1.302) 1.319 13.438 ( -0.182 -0.352 -2.682) 2.711 13.558 ( 0.783 -0.669 3.100) 3.266 13.629 ( 0.213 -0.709 -1.369) 1.556 23.777 ( 2.607 -1.469 0.356) 3.013 23.831 ( -1.779 -0.697 0.074) 1.912 24.038 ( 0.166 7.554 2.389) 7.924 24.162 ( 3.562 8.540 -7.002) 11.604 25.815 ( 1.968 -1.038 0.668) 2.323 25.905 ( -3.108 2.094 0.504) 3.781 26.147 ( 5.661 -3.238 -3.456) 7.381 26.416 ( -5.976 -4.615 -4.382) 8.729 ======================= Grid point 93 (35/70) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 13.880 0.000 12.641) 18.774 0.835 ( 11.885 0.000 19.991) 23.257 1.075 ( 3.544 0.000 -20.693) 20.994 1.190 ( 16.066 0.000 -16.095) 22.741 1.708 ( 33.102 0.000 32.873) 46.651 1.940 ( 18.007 0.000 -20.533) 27.310 2.177 ( 2.068 0.000 7.194) 7.485 2.259 ( 3.964 0.000 8.501) 9.380 2.289 ( 2.871 0.000 -8.107) 8.600 2.306 ( 4.560 0.000 -0.033) 4.561 2.377 ( 3.581 0.000 2.266) 4.237 2.413 ( 7.367 0.000 1.024) 7.437 2.461 ( 4.682 0.000 -10.798) 11.770 2.516 ( 10.553 0.000 -4.902) 11.636 3.353 ( -5.640 -0.000 -3.445) 6.609 3.465 ( 0.444 0.000 1.896) 1.947 3.651 ( -3.118 -0.000 -3.195) 4.464 3.735 ( -3.687 -0.000 2.654) 4.543 3.756 ( 0.752 0.000 5.891) 5.939 3.788 ( 0.073 0.000 -4.722) 4.723 3.918 ( -2.017 -0.000 -6.733) 7.028 3.920 ( 10.822 0.000 12.729) 16.708 4.187 ( 0.397 0.000 1.880) 1.922 4.187 ( -1.440 -0.000 -0.005) 1.440 4.250 ( -0.657 -0.000 -4.559) 4.606 4.277 ( 0.850 0.000 2.653) 2.785 4.481 ( -8.081 -0.000 4.972) 9.488 4.508 ( -7.921 -0.000 -0.221) 7.924 4.516 ( -4.013 -0.000 -0.709) 4.076 4.620 ( 1.314 0.000 -2.023) 2.413 4.675 ( -4.926 -0.000 -0.855) 4.999 4.699 ( -5.235 -0.000 3.310) 6.193 4.779 ( 0.908 0.000 -1.742) 1.965 4.914 ( -7.183 -0.000 -4.330) 8.387 4.973 ( -2.184 -0.000 -1.583) 2.697 5.031 ( -4.659 -0.000 5.192) 6.976 5.250 ( -2.145 -0.000 -0.934) 2.340 5.402 ( 7.548 0.000 -3.173) 8.188 5.515 ( 9.575 0.000 -8.566) 12.847 5.785 ( -5.158 -0.000 4.530) 6.865 5.957 ( 2.242 0.000 0.032) 2.242 6.448 ( 11.774 0.000 -14.392) 18.595 7.965 ( -0.718 -0.000 0.765) 1.049 7.987 ( -0.085 -0.000 -0.923) 0.927 8.433 ( -2.881 -0.000 1.497) 3.247 8.510 ( -2.119 -0.000 1.912) 2.854 8.994 ( -1.026 -0.000 0.686) 1.234 9.067 ( 1.551 0.000 1.006) 1.848 9.070 ( 2.314 0.000 -0.286) 2.332 9.100 ( 4.253 0.000 -0.596) 4.294 13.207 ( 0.240 0.000 -0.702) 0.742 13.208 ( 0.522 0.000 0.739) 0.905 13.271 ( 0.151 0.000 -0.368) 0.398 13.276 ( 0.333 0.000 0.527) 0.624 13.395 ( 0.248 0.000 1.937) 1.953 13.416 ( -0.494 -0.000 -2.454) 2.503 13.593 ( -0.449 -0.000 2.499) 2.539 13.606 ( -1.156 -0.000 -2.130) 2.423 23.793 ( -5.182 -0.000 3.093) 6.035 23.820 ( -1.217 -0.000 -0.584) 1.350 23.906 ( 2.827 0.000 -0.784) 2.934 24.012 ( 0.088 0.000 2.565) 2.567 25.764 ( -1.183 -0.000 1.548) 1.948 25.905 ( 2.771 0.000 0.888) 2.910 26.009 ( 0.665 0.000 6.851) 6.883 26.396 ( 1.463 0.000 5.103) 5.309 ======================= Grid point 94 (36/70) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 15.199 -9.222 -4.570) 18.356 1.129 ( 14.213 -8.455 3.172) 16.839 1.286 ( 14.963 -14.242 9.130) 22.585 1.423 ( 17.949 -7.531 -14.844) 24.479 2.092 ( 9.515 -1.753 0.869) 9.714 2.209 ( 22.851 -4.622 19.204) 30.204 2.243 ( 10.402 -0.834 8.118) 13.221 2.315 ( 3.418 -2.933 -4.523) 6.383 2.357 ( 4.348 -0.133 -1.905) 4.749 2.410 ( 9.994 -6.142 -5.904) 13.133 2.457 ( 8.511 -0.540 4.639) 9.708 2.472 ( 7.643 -1.826 -4.681) 9.147 2.531 ( 9.589 -2.129 0.420) 9.831 2.736 ( 12.059 -9.666 -10.443) 18.653 3.254 ( -4.282 3.881 -0.590) 5.810 3.423 ( -2.532 2.801 0.033) 3.776 3.565 ( -2.356 2.014 -3.012) 4.322 3.714 ( -2.775 -1.496 0.180) 3.157 3.763 ( 3.978 1.060 3.219) 5.226 3.811 ( -3.403 -1.934 -4.448) 5.925 3.923 ( -0.133 -2.968 -3.733) 4.771 4.075 ( 7.052 -2.132 5.428) 9.151 4.156 ( -6.011 1.861 3.321) 7.116 4.189 ( 0.853 1.490 -0.251) 1.735 4.274 ( 1.757 -3.152 -0.623) 3.662 4.316 ( 1.614 -3.495 2.159) 4.414 4.389 ( -4.253 3.121 2.000) 5.641 4.421 ( -6.608 -1.046 -1.929) 6.963 4.476 ( -4.469 -1.354 3.960) 6.122 4.565 ( -4.347 1.767 -1.520) 4.932 4.634 ( -3.234 -1.219 -3.047) 4.607 4.745 ( -3.083 -7.237 1.525) 8.013 4.795 ( 2.337 0.093 -1.118) 2.593 4.869 ( -3.536 -1.670 -3.051) 4.959 4.952 ( 0.376 0.640 -2.141) 2.266 5.025 ( -5.985 -2.894 6.387) 9.219 5.238 ( -2.267 -1.909 -0.744) 3.055 5.492 ( 5.447 -2.013 0.411) 5.822 5.554 ( 6.001 2.884 -9.324) 11.457 5.720 ( -2.231 3.325 1.028) 4.134 5.956 ( -0.231 2.272 2.899) 3.690 6.274 ( 4.225 20.803 -3.522) 21.518 7.975 ( -1.436 -2.667 0.609) 3.090 8.024 ( -1.152 -3.693 -0.883) 3.968 8.400 ( -0.835 1.797 0.202) 1.992 8.471 ( -2.409 1.931 1.579) 3.467 8.980 ( -0.606 0.827 0.900) 1.364 9.047 ( 1.872 3.639 -1.599) 4.393 9.088 ( 2.167 0.456 1.180) 2.509 9.152 ( 3.477 -0.444 -0.681) 3.571 13.204 ( 0.330 0.634 -0.276) 0.766 13.213 ( 0.397 0.312 0.375) 0.629 13.263 ( 0.078 0.816 -0.075) 0.823 13.276 ( -0.330 0.182 0.242) 0.448 13.397 ( -0.097 0.506 -0.228) 0.563 13.407 ( 0.245 -0.060 0.271) 0.370 13.580 ( -1.430 0.698 -2.085) 2.623 13.588 ( -0.651 0.479 2.015) 2.171 23.725 ( -2.663 0.955 0.529) 2.878 23.841 ( -2.381 -2.352 1.321) 3.598 23.980 ( 3.521 -4.406 -2.372) 6.119 24.114 ( -2.403 -9.046 1.093) 9.423 25.777 ( 1.911 0.154 0.789) 2.074 25.988 ( 1.730 -4.073 -1.139) 4.570 26.022 ( 3.597 2.418 3.890) 5.824 26.372 ( -2.068 2.833 2.693) 4.422 ======================= Grid point 95 (37/70) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 16.647 -9.178 -4.068) 19.440 1.493 ( 15.338 -11.354 3.964) 19.491 1.674 ( 16.271 -5.701 -7.770) 18.911 1.749 ( 12.468 -14.030 6.958) 20.018 2.172 ( 5.048 2.170 2.562) 6.063 2.235 ( 2.941 2.738 -1.070) 4.158 2.321 ( 4.005 1.656 -0.944) 4.435 2.412 ( 2.657 -0.897 0.333) 2.824 2.497 ( 1.878 -0.736 -1.143) 2.318 2.545 ( 6.546 -0.084 -0.165) 6.549 2.622 ( 7.275 -1.566 6.121) 9.636 2.754 ( 13.153 -8.791 -5.110) 16.625 2.787 ( 17.974 -8.709 6.416) 20.978 2.966 ( 10.687 -5.983 -7.138) 14.176 3.249 ( 7.164 -7.492 3.102) 10.820 3.388 ( -0.822 -2.199 1.963) 3.060 3.532 ( -1.125 -0.821 -3.937) 4.176 3.702 ( -3.953 -0.355 1.301) 4.177 3.768 ( -1.811 0.348 -3.162) 3.661 3.830 ( 2.546 -2.998 -1.052) 4.071 3.972 ( 0.105 -2.890 0.513) 2.937 4.025 ( -5.585 3.671 1.503) 6.850 4.133 ( -2.254 -2.077 -3.527) 4.672 4.233 ( 1.957 -1.287 -0.545) 2.405 4.278 ( 1.916 2.527 3.380) 4.635 4.329 ( -0.558 1.671 -3.564) 3.976 4.363 ( -7.069 -1.893 -1.443) 7.459 4.420 ( -2.613 -2.437 0.880) 3.680 4.459 ( -2.255 -0.857 0.874) 2.566 4.537 ( 3.514 -0.802 5.700) 6.745 4.647 ( -1.398 -4.087 -1.899) 4.718 4.796 ( -1.874 -0.631 2.720) 3.362 4.810 ( 0.264 0.122 -0.404) 0.497 4.856 ( -2.090 -1.496 -2.928) 3.896 4.955 ( -3.035 -2.443 1.538) 4.189 5.015 ( -3.857 -1.797 -0.723) 4.316 5.272 ( -1.796 -4.581 1.026) 5.026 5.486 ( 3.030 6.459 -8.515) 11.109 5.576 ( -4.863 -2.218 8.797) 10.293 5.660 ( 6.861 3.858 -7.138) 10.626 5.821 ( -2.849 14.852 6.008) 16.272 6.022 ( 2.613 8.795 -1.338) 9.272 8.017 ( -1.828 -4.016 0.446) 4.434 8.068 ( -1.561 -3.490 -0.550) 3.863 8.352 ( -0.314 3.057 -0.193) 3.079 8.405 ( -1.867 3.269 0.988) 3.892 8.956 ( 0.298 1.944 0.328) 1.994 9.010 ( 0.906 1.732 -1.341) 2.370 9.105 ( 2.249 0.876 1.115) 2.659 9.183 ( 2.364 0.253 -0.700) 2.478 13.192 ( 0.122 0.929 0.047) 0.938 13.206 ( 0.196 0.924 -0.030) 0.945 13.251 ( 0.285 0.736 0.011) 0.789 13.265 ( -0.772 0.424 0.162) 0.895 13.383 ( -0.171 0.576 -1.032) 1.194 13.417 ( 0.679 -0.032 1.647) 1.782 13.543 ( -1.540 1.017 -2.160) 2.841 13.576 ( -0.584 0.515 1.527) 1.714 23.707 ( -1.532 -1.233 -0.141) 1.971 23.851 ( -2.275 -1.529 1.327) 3.046 24.091 ( 2.397 -4.980 -2.466) 6.052 24.222 ( -2.613 -6.667 1.059) 7.239 25.791 ( 2.285 1.409 0.842) 2.813 25.983 ( 1.790 3.351 1.801) 4.205 26.086 ( 2.793 -2.035 -1.732) 3.865 26.295 ( -2.397 3.199 0.822) 4.081 ======================= Grid point 96 (38/70) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 16.273 -9.277 4.302) 19.219 1.806 ( 11.160 -5.728 -0.115) 12.545 1.896 ( 12.296 -6.023 -3.142) 14.047 2.068 ( 8.125 -5.774 6.078) 11.675 2.128 ( 1.296 7.500 -5.675) 9.494 2.221 ( 4.903 2.189 4.007) 6.700 2.355 ( 5.426 2.065 4.717) 7.480 2.408 ( 0.801 3.559 -2.955) 4.695 2.496 ( -0.311 1.300 -2.528) 2.859 2.526 ( -1.300 4.781 -5.463) 7.375 2.673 ( 4.976 5.856 -0.942) 7.742 2.740 ( 3.257 2.908 -3.349) 5.502 3.139 ( 6.843 -7.320 1.653) 10.156 3.263 ( 9.571 -9.411 7.321) 15.289 3.487 ( 0.478 -7.237 4.183) 8.373 3.523 ( -1.901 -2.842 -2.270) 4.104 3.585 ( 11.541 -9.989 -4.128) 15.812 3.651 ( -3.677 -1.561 2.432) 4.677 3.766 ( -0.313 -1.989 0.501) 2.074 3.895 ( 1.639 -1.087 -2.556) 3.226 3.943 ( -1.893 1.169 0.930) 2.411 4.035 ( 1.607 -3.595 2.463) 4.644 4.129 ( -3.227 -0.290 -3.072) 4.465 4.168 ( -2.850 3.311 -1.228) 4.538 4.287 ( -6.642 -0.659 -2.588) 7.159 4.292 ( 0.010 0.791 -1.873) 2.033 4.312 ( 2.021 0.433 1.160) 2.370 4.433 ( -2.788 -3.227 -1.554) 4.539 4.452 ( -0.342 -1.085 -1.873) 2.191 4.614 ( 1.870 -2.627 0.368) 3.245 4.724 ( 2.273 -0.348 2.728) 3.568 4.760 ( -0.876 2.476 7.594) 8.035 4.791 ( -3.444 -0.516 -1.422) 3.762 4.850 ( -2.212 -1.160 -1.690) 3.016 4.932 ( -3.437 0.390 2.243) 4.123 5.041 ( 1.274 -3.399 -5.696) 6.754 5.329 ( -0.077 -1.151 3.783) 3.955 5.347 ( -1.459 8.735 -5.140) 10.239 5.528 ( -2.215 3.521 3.205) 5.251 5.566 ( -1.221 7.676 2.151) 8.065 5.706 ( 3.768 -0.642 -2.172) 4.397 5.950 ( -0.151 2.873 0.049) 2.877 8.071 ( -1.776 -4.612 0.486) 4.966 8.109 ( -1.234 -3.540 -0.550) 3.789 8.291 ( -0.032 3.773 -0.150) 3.776 8.331 ( -1.111 3.682 0.486) 3.877 8.932 ( 0.827 1.441 -0.025) 1.661 8.998 ( -0.110 0.183 -0.488) 0.532 9.112 ( 2.021 1.285 0.868) 2.547 9.195 ( 1.500 0.623 -0.709) 1.772 13.177 ( -0.197 0.754 0.237) 0.814 13.193 ( 0.326 0.799 -0.276) 0.906 13.242 ( 0.148 0.686 -0.173) 0.723 13.250 ( -0.637 0.320 0.283) 0.767 13.371 ( 0.014 0.463 -0.597) 0.755 13.430 ( 0.708 -0.029 1.663) 1.808 13.506 ( -1.329 0.828 -1.871) 2.440 13.567 ( -0.382 0.201 0.803) 0.911 23.723 ( -0.579 -1.787 -0.056) 1.880 23.854 ( -1.723 -1.285 0.352) 2.178 24.176 ( 0.926 -3.147 -0.754) 3.366 24.293 ( -1.214 -4.128 0.259) 4.310 25.780 ( 2.280 2.804 0.154) 3.617 25.962 ( 2.320 2.276 2.355) 4.014 26.112 ( -0.476 0.214 -1.959) 2.027 26.234 ( -0.759 1.540 -0.056) 1.718 ======================= Grid point 97 (39/70) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -4.144 6.040 -1.244) 7.430 1.929 ( 6.337 7.830 -0.116) 10.073 2.076 ( 11.851 -4.366 4.723) 13.484 2.105 ( 6.073 -0.624 2.061) 6.444 2.132 ( 6.471 3.631 2.112) 7.715 2.175 ( 0.561 7.187 -2.584) 7.658 2.338 ( 3.752 1.645 1.541) 4.377 2.379 ( -0.070 5.065 -4.768) 6.957 2.443 ( 2.015 1.055 -1.399) 2.670 2.478 ( 6.267 2.008 -0.066) 6.581 2.608 ( 1.064 4.368 -1.304) 4.681 2.715 ( -0.679 2.899 -0.760) 3.073 3.161 ( -7.268 2.420 0.612) 7.685 3.419 ( -0.094 -1.161 -0.343) 1.215 3.481 ( -7.740 1.568 4.149) 8.921 3.549 ( 1.913 1.985 0.439) 2.791 3.712 ( -1.834 0.067 3.002) 3.518 3.764 ( -0.904 -5.258 0.797) 5.394 3.830 ( 4.824 -3.500 -2.135) 6.330 3.867 ( -1.073 1.949 -0.892) 2.398 3.937 ( 1.171 0.297 0.122) 1.214 4.060 ( -3.112 0.932 -2.907) 4.359 4.101 ( -3.122 2.330 -6.472) 7.554 4.145 ( 1.504 -3.435 2.653) 4.594 4.246 ( 0.699 -0.530 2.501) 2.651 4.276 ( -1.821 0.070 -0.312) 1.849 4.362 ( 0.860 -4.444 -0.980) 4.631 4.467 ( 0.185 -1.865 2.309) 2.974 4.498 ( 4.721 -1.916 -1.808) 5.406 4.642 ( -2.329 1.615 3.253) 4.315 4.666 ( -0.109 -1.323 -1.921) 2.335 4.747 ( -4.032 -0.002 -3.656) 5.443 4.781 ( -1.317 -1.474 2.241) 2.988 4.868 ( -0.327 -1.716 0.942) 1.984 4.908 ( 3.026 2.806 2.599) 4.877 5.109 ( 0.947 -4.624 -5.383) 7.159 5.179 ( 0.054 6.986 1.391) 7.123 5.326 ( 0.774 2.558 2.439) 3.618 5.475 ( -0.827 0.220 -0.095) 0.862 5.520 ( -2.134 -1.057 -0.244) 2.394 5.745 ( 2.448 -0.146 0.059) 2.453 5.912 ( -1.156 0.587 -0.125) 1.302 8.137 ( -1.274 -5.073 0.480) 5.252 8.162 ( -0.581 -3.955 -0.406) 4.018 8.227 ( 0.420 3.905 -0.239) 3.935 8.262 ( -0.761 3.175 0.274) 3.276 8.925 ( 0.940 0.627 0.088) 1.134 8.994 ( -0.787 -0.322 -0.189) 0.871 9.110 ( 1.653 1.615 0.786) 2.441 9.193 ( 0.842 0.908 -0.865) 1.510 13.166 ( -0.258 0.270 0.254) 0.451 13.187 ( 0.386 0.250 -0.298) 0.548 13.229 ( -0.407 0.421 -0.146) 0.604 13.246 ( 0.022 -0.139 0.195) 0.240 13.366 ( 0.222 0.255 -0.099) 0.352 13.438 ( 0.128 0.021 0.465) 0.483 13.484 ( -0.426 0.062 -0.388) 0.580 13.566 ( -0.143 -0.344 0.048) 0.376 23.748 ( 0.391 -1.163 0.321) 1.269 23.860 ( -1.248 -1.332 -0.662) 1.942 24.216 ( 0.616 -0.762 1.049) 1.435 24.335 ( -0.511 -1.930 -0.831) 2.163 25.759 ( 2.358 2.278 -0.072) 3.280 25.965 ( 2.286 1.145 2.088) 3.302 26.072 ( -3.207 0.967 -0.771) 3.437 26.225 ( 0.577 -0.351 -1.105) 1.295 ======================= Grid point 98 (40/70) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.931 17.542 -0.475) 17.983 1.804 ( -0.182 16.374 0.586) 16.386 1.874 ( -2.425 15.472 -5.089) 16.467 2.064 ( 3.117 2.780 2.903) 5.087 2.221 ( 1.891 0.667 -4.857) 5.254 2.259 ( 0.454 5.628 -5.748) 8.057 2.299 ( -3.158 5.620 -7.443) 9.846 2.360 ( 3.123 -0.352 8.847) 9.388 2.445 ( 11.866 -1.759 10.896) 16.206 2.528 ( -0.867 2.061 2.306) 3.212 2.584 ( 6.587 1.659 2.970) 7.413 2.634 ( -3.902 2.556 -3.387) 5.764 2.969 ( -8.478 10.834 2.910) 14.061 3.206 ( -13.098 10.982 2.420) 17.263 3.397 ( -1.841 7.546 -5.341) 9.426 3.523 ( 0.904 2.730 0.623) 2.942 3.637 ( -10.114 -1.224 -5.022) 11.358 3.671 ( -0.315 7.744 0.674) 7.780 3.828 ( -1.902 4.852 -0.606) 5.246 3.916 ( 2.455 3.012 -3.131) 4.990 3.951 ( 0.182 -3.557 1.570) 3.892 4.020 ( -0.887 -1.665 -3.325) 3.823 4.106 ( 2.369 -4.694 1.116) 5.375 4.195 ( -1.722 -3.312 0.589) 3.780 4.205 ( -0.558 4.389 6.630) 7.971 4.269 ( -0.673 -0.120 0.384) 0.784 4.456 ( 2.011 -3.502 -0.849) 4.126 4.500 ( 2.764 -0.522 1.037) 2.998 4.588 ( 4.799 -0.662 1.595) 5.101 4.647 ( 0.129 0.381 -3.496) 3.519 4.676 ( -0.327 0.331 0.495) 0.679 4.739 ( -2.626 -7.655 -2.435) 8.451 4.799 ( -2.535 -1.248 0.545) 2.877 4.887 ( 1.083 -1.262 1.476) 2.224 4.901 ( 0.868 1.966 0.444) 2.194 5.102 ( 0.225 2.915 0.414) 2.953 5.200 ( 0.282 -4.239 -1.415) 4.477 5.301 ( -0.741 0.157 0.641) 0.992 5.484 ( -0.453 -1.654 1.871) 2.538 5.531 ( 0.361 -1.927 -1.815) 2.672 5.772 ( 2.601 0.088 0.846) 2.736 5.904 ( -1.333 -1.143 -0.497) 1.825 8.168 ( 0.674 3.606 0.031) 3.668 8.190 ( 0.139 2.471 -0.229) 2.485 8.217 ( -0.411 -5.275 0.320) 5.300 8.246 ( -0.964 -4.338 -0.045) 4.444 8.931 ( 1.106 -0.003 0.108) 1.112 8.990 ( -1.351 -0.565 -0.025) 1.464 9.098 ( 1.219 1.965 1.019) 2.527 9.178 ( 0.306 1.312 -1.371) 1.922 13.164 ( -0.176 -0.225 0.327) 0.434 13.191 ( 0.261 -0.380 -0.586) 0.746 13.223 ( -0.185 -0.099 0.216) 0.301 13.253 ( -0.024 -0.595 0.046) 0.597 13.367 ( 0.330 0.065 0.368) 0.499 13.433 ( -0.643 -0.066 -1.495) 1.628 13.495 ( 0.654 -0.754 1.800) 2.058 13.576 ( -0.002 -0.911 -0.647) 1.117 23.772 ( 1.595 -0.266 0.173) 1.626 23.862 ( -1.625 -0.733 -0.420) 1.831 24.231 ( 2.131 0.753 0.462) 2.307 24.337 ( -1.268 0.447 -0.277) 1.372 25.760 ( 2.301 0.776 0.500) 2.479 25.975 ( -0.161 -0.255 -3.040) 3.055 26.028 ( -1.304 0.689 4.444) 4.682 26.246 ( 0.323 -1.850 -2.072) 2.796 ======================= Grid point 99 (41/70) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.546 19.619 7.310) 20.943 1.441 ( -0.751 23.805 2.382) 23.935 1.577 ( -1.849 14.956 -10.455) 18.342 1.949 ( -9.775 13.268 -17.578) 24.095 2.067 ( 0.147 1.782 9.125) 9.299 2.193 ( 1.932 2.322 -3.448) 4.584 2.261 ( -4.037 4.654 2.834) 6.782 2.320 ( -1.684 4.936 -0.753) 5.270 2.445 ( -1.995 5.530 3.564) 6.875 2.516 ( -3.967 5.112 -1.243) 6.589 2.587 ( 0.043 7.300 6.210) 9.585 2.614 ( -2.714 13.027 14.324) 19.551 2.616 ( 7.234 8.739 2.238) 11.564 2.888 ( -1.607 15.787 -11.064) 19.345 3.220 ( -1.899 3.757 -2.475) 4.883 3.449 ( -7.457 -0.774 -2.727) 7.977 3.577 ( -0.394 0.197 -1.194) 1.272 3.618 ( 3.131 3.043 2.322) 4.945 3.718 ( -3.097 3.047 -0.816) 4.421 3.827 ( -3.381 1.890 -5.784) 6.961 4.029 ( 1.248 -2.503 2.127) 3.514 4.075 ( 2.969 -0.720 1.492) 3.400 4.155 ( -0.642 0.236 4.955) 5.002 4.200 ( 1.689 -0.702 3.576) 4.016 4.240 ( -0.127 -1.471 0.030) 1.477 4.304 ( 2.925 -4.866 0.602) 5.709 4.483 ( -2.915 0.550 -5.900) 6.604 4.522 ( 1.844 0.346 -0.908) 2.084 4.616 ( 2.069 1.385 -2.106) 3.261 4.649 ( 4.231 -0.563 3.992) 5.845 4.721 ( 3.456 -2.267 1.222) 4.310 4.762 ( -2.577 1.867 -0.179) 3.187 4.800 ( -5.387 -3.150 -2.017) 6.558 4.867 ( -4.135 -1.753 -0.935) 4.587 4.951 ( 3.188 -1.635 1.503) 3.885 5.055 ( 0.562 2.644 -1.717) 3.202 5.222 ( -0.961 -0.032 2.969) 3.120 5.310 ( -3.335 -2.520 -1.211) 4.352 5.521 ( -2.324 -2.457 4.926) 5.975 5.594 ( 3.720 -3.819 -4.651) 7.075 5.806 ( 1.956 -0.300 2.716) 3.360 5.911 ( -1.100 -1.428 -1.668) 2.456 8.118 ( 0.892 3.366 0.072) 3.483 8.140 ( -0.368 2.670 -0.261) 2.708 8.307 ( 0.263 -5.315 0.332) 5.332 8.324 ( -0.523 -5.199 0.042) 5.225 8.950 ( 1.414 -0.615 0.047) 1.543 8.984 ( -1.867 -0.878 0.184) 2.072 9.076 ( 0.796 2.126 1.344) 2.638 9.148 ( -0.029 1.906 -2.375) 3.046 13.171 ( 0.004 -0.626 0.461) 0.778 13.199 ( -0.262 -0.699 -1.002) 1.250 13.232 ( 0.470 -0.586 0.755) 1.065 13.263 ( -0.352 -0.686 -0.198) 0.796 13.372 ( 0.310 -0.074 0.840) 0.898 13.425 ( -0.605 -0.341 -2.119) 2.230 13.525 ( 0.777 -1.087 2.537) 2.867 13.592 ( -0.055 -1.258 -1.228) 1.759 23.793 ( 2.736 0.497 -0.372) 2.805 23.842 ( -2.313 0.392 0.235) 2.357 24.234 ( 2.182 2.978 0.688) 3.755 24.298 ( -1.038 1.541 -0.887) 2.059 25.784 ( 2.112 -0.353 1.689) 2.728 25.938 ( -4.515 -0.218 -3.493) 5.713 26.065 ( 4.333 -1.143 4.536) 6.376 26.279 ( -1.244 -3.106 -3.560) 4.886 ======================= Grid point 100 (42/70) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 1.321 20.506 10.637) 23.139 1.091 ( 9.767 19.935 16.533) 27.679 1.305 ( 3.163 13.073 -17.062) 21.726 1.557 ( -12.011 12.447 -21.307) 27.444 1.834 ( -4.374 32.454 17.994) 37.366 2.045 ( -1.889 4.301 9.778) 10.848 2.198 ( 2.641 0.956 -0.982) 2.975 2.278 ( 0.178 9.020 -3.150) 9.556 2.292 ( -0.301 0.023 -5.172) 5.181 2.358 ( -1.399 4.371 -2.344) 5.154 2.446 ( 1.765 10.413 -5.672) 11.988 2.477 ( -1.740 8.759 1.569) 9.067 2.488 ( -2.058 6.903 2.646) 7.674 2.656 ( 7.914 11.776 -5.830) 15.339 3.281 ( 7.407 -2.818 9.909) 12.688 3.407 ( -7.380 -4.133 -2.460) 8.809 3.570 ( -1.918 1.205 1.116) 2.525 3.605 ( 1.719 -1.520 -1.863) 2.956 3.706 ( 3.510 0.333 2.386) 4.257 3.773 ( -3.878 -1.666 -3.922) 5.762 4.053 ( -0.470 1.449 -1.642) 2.240 4.070 ( 0.627 3.793 -2.636) 4.661 4.159 ( 2.211 0.311 8.903) 9.179 4.225 ( -0.283 -0.044 5.397) 5.405 4.295 ( 1.156 -1.924 -2.824) 3.607 4.385 ( -3.789 2.108 -7.449) 8.619 4.431 ( 2.046 -3.618 3.859) 5.671 4.526 ( -1.627 -1.784 -3.680) 4.401 4.635 ( 4.776 1.936 2.254) 5.625 4.670 ( -3.653 1.122 -0.618) 3.871 4.734 ( -0.837 0.205 2.088) 2.259 4.759 ( 1.678 2.001 0.682) 2.699 4.810 ( 3.114 -3.354 0.464) 4.600 4.873 ( -3.191 -5.192 -3.753) 7.157 4.984 ( -2.482 -1.737 2.025) 3.644 5.058 ( 4.702 -1.931 -3.620) 6.240 5.247 ( 3.468 -1.281 3.597) 5.158 5.297 ( -1.956 -0.364 -1.394) 2.430 5.498 ( -7.713 1.481 7.657) 10.969 5.695 ( 5.811 -3.092 -6.913) 9.546 5.824 ( -1.066 -0.135 5.032) 5.145 5.926 ( -0.765 -2.637 -1.942) 3.363 8.067 ( 0.111 3.716 0.781) 3.799 8.092 ( -0.001 2.574 -1.297) 2.882 8.391 ( -1.714 -4.889 1.581) 5.417 8.413 ( 1.297 -4.970 -0.355) 5.149 8.980 ( -0.867 -1.514 0.380) 1.786 8.986 ( 0.563 -1.280 -0.112) 1.403 9.054 ( 0.275 1.410 1.132) 1.829 9.105 ( 0.625 2.418 -3.331) 4.163 13.185 ( 0.168 -0.670 0.648) 0.947 13.204 ( -0.420 -0.705 -1.002) 1.295 13.252 ( 0.777 -0.605 0.784) 1.259 13.266 ( -0.696 -0.412 -0.460) 0.930 13.379 ( 0.218 -0.147 1.313) 1.339 13.421 ( -0.390 -0.502 -2.353) 2.437 13.557 ( 0.511 -1.038 2.815) 3.043 13.608 ( -0.318 -1.214 -1.658) 2.080 23.799 ( -1.237 0.730 0.514) 1.525 23.821 ( 2.235 0.548 -1.424) 2.706 24.145 ( -3.665 6.509 5.149) 9.073 24.277 ( 2.803 2.859 -6.117) 7.311 25.821 ( 0.664 -0.873 3.373) 3.546 25.885 ( -2.414 0.367 -1.988) 3.149 26.169 ( 5.235 -3.267 3.055) 6.885 26.275 ( -5.790 -1.018 -6.057) 8.441 ======================= Grid point 103 (43/70) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 20.408 0.000 -1.100) 20.437 1.287 ( 20.275 0.000 9.522) 22.400 1.377 ( 19.736 0.000 4.889) 20.333 1.525 ( 19.871 0.000 -14.534) 24.619 2.212 ( 9.025 0.000 1.699) 9.184 2.272 ( 4.260 0.000 -0.543) 4.295 2.332 ( 4.070 0.000 -4.187) 5.839 2.381 ( 5.389 0.000 -2.903) 6.121 2.480 ( 9.550 0.000 -1.472) 9.663 2.517 ( 16.581 0.000 -3.449) 16.936 2.559 ( 9.167 0.000 7.447) 11.810 2.622 ( 11.116 0.000 -1.959) 11.287 2.640 ( 27.966 0.000 17.452) 32.965 2.768 ( 13.985 0.000 -5.857) 15.162 3.243 ( -3.322 -0.000 -0.754) 3.407 3.428 ( -1.841 -0.000 -2.605) 3.190 3.568 ( -8.356 -0.000 2.173) 8.634 3.611 ( -0.814 -0.000 -0.803) 1.143 3.717 ( -2.387 -0.000 -5.425) 5.927 3.850 ( 1.212 0.000 1.357) 1.820 3.910 ( 3.256 0.000 -4.727) 5.740 4.061 ( -2.328 -0.000 -0.322) 2.350 4.114 ( -5.870 -0.000 -0.603) 5.901 4.189 ( -3.540 -0.000 0.597) 3.590 4.281 ( -2.096 -0.000 -1.603) 2.639 4.299 ( -2.536 -0.000 0.761) 2.648 4.383 ( -2.547 -0.000 5.943) 6.466 4.384 ( 8.717 0.000 4.538) 9.828 4.454 ( -4.021 -0.000 -2.020) 4.500 4.553 ( -6.714 -0.000 -0.716) 6.752 4.556 ( 0.961 0.000 4.820) 4.915 4.622 ( -1.091 -0.000 0.565) 1.228 4.803 ( -3.714 -0.000 -2.046) 4.240 4.815 ( 0.882 0.000 -1.841) 2.041 4.948 ( 1.405 0.000 -7.293) 7.428 4.995 ( -3.432 -0.000 10.371) 10.925 5.204 ( -0.734 -0.000 -2.262) 2.378 5.489 ( -2.569 -0.000 8.733) 9.104 5.614 ( 3.765 0.000 -13.243) 13.767 5.757 ( 4.105 0.000 -5.777) 7.087 5.979 ( -0.971 -0.000 4.415) 4.520 6.436 ( -5.536 -0.000 -2.782) 6.195 7.940 ( -1.824 -0.000 1.099) 2.130 7.969 ( -1.040 -0.000 -1.247) 1.624 8.408 ( -0.456 -0.000 -0.357) 0.579 8.461 ( -2.682 -0.000 1.618) 3.132 8.986 ( -0.066 -0.000 0.835) 0.838 9.099 ( 1.081 0.000 -1.114) 1.552 9.119 ( 2.084 0.000 1.276) 2.444 9.190 ( 3.901 0.000 -0.585) 3.944 13.215 ( 0.691 0.000 -0.563) 0.891 13.219 ( 0.098 0.000 0.561) 0.569 13.271 ( -0.049 -0.000 0.128) 0.137 13.271 ( -0.789 -0.000 0.018) 0.789 13.397 ( -0.214 -0.000 -1.728) 1.741 13.415 ( 0.689 0.000 2.115) 2.224 13.564 ( -1.722 -0.000 -2.219) 2.809 13.587 ( -0.974 -0.000 1.770) 2.020 23.716 ( -3.232 -0.000 2.475) 4.071 23.783 ( -1.435 -0.000 -1.865) 2.353 23.987 ( 4.617 0.000 -3.372) 5.717 24.019 ( -0.598 -0.000 3.791) 3.838 25.820 ( 4.293 0.000 -0.362) 4.308 25.995 ( 4.854 0.000 0.972) 4.950 26.094 ( 3.527 0.000 4.054) 5.373 26.361 ( -4.197 -0.000 0.226) 4.203 ======================= Grid point 104 (44/70) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 21.109 -5.438 1.242) 21.834 1.566 ( 19.194 -4.430 5.241) 20.384 1.695 ( 17.267 -9.836 7.528) 21.250 1.767 ( 18.546 -5.572 -12.684) 23.149 2.283 ( 6.931 1.722 3.928) 8.151 2.307 ( 4.296 1.271 -2.223) 5.001 2.376 ( 4.519 -0.468 -2.792) 5.332 2.452 ( 4.943 -1.021 -3.435) 6.105 2.514 ( 4.642 1.972 -4.487) 6.751 2.645 ( 5.126 1.717 6.294) 8.297 2.711 ( 11.957 -1.621 3.786) 12.646 2.761 ( 12.292 -3.068 -8.751) 15.397 2.920 ( 14.158 -2.426 -2.059) 14.511 3.061 ( 18.478 -2.632 11.976) 22.176 3.221 ( 4.740 -2.434 4.722) 7.120 3.407 ( 3.843 1.176 -1.269) 4.214 3.468 ( -6.459 -0.913 -0.882) 6.582 3.648 ( -3.155 -5.090 -1.703) 6.226 3.703 ( -0.086 1.240 -2.139) 2.474 3.817 ( -3.572 0.070 0.563) 3.617 3.934 ( 0.474 -0.231 -1.752) 1.830 4.037 ( -3.995 0.019 0.308) 4.007 4.067 ( -1.445 -1.602 -2.878) 3.597 4.181 ( -1.356 -2.320 -0.338) 2.709 4.268 ( -0.701 -0.944 -4.689) 4.834 4.275 ( -4.781 -1.696 1.205) 5.214 4.350 ( -4.339 1.924 -2.812) 5.516 4.383 ( -1.752 -1.005 3.000) 3.617 4.435 ( -0.785 1.819 1.027) 2.232 4.519 ( -2.258 -2.347 -3.467) 4.757 4.659 ( 4.135 -2.665 7.288) 8.792 4.699 ( 1.300 -6.629 4.931) 8.364 4.773 ( -0.201 -0.251 -0.204) 0.381 4.812 ( -1.847 -1.374 -3.290) 4.015 4.941 ( -4.028 3.665 10.166) 11.533 4.966 ( 1.578 -1.318 -5.896) 6.244 5.215 ( 1.463 -1.750 -2.989) 3.761 5.481 ( -6.796 -2.250 9.215) 11.669 5.567 ( -0.655 3.851 -11.010) 11.683 5.780 ( 7.718 2.984 -8.193) 11.645 5.946 ( -2.740 3.564 5.853) 7.380 6.237 ( -5.417 12.433 0.102) 13.562 7.942 ( -1.817 -2.380 0.808) 3.102 7.984 ( -1.903 -3.235 -0.956) 3.873 8.388 ( -0.327 1.651 -0.509) 1.758 8.424 ( -2.231 1.516 1.229) 2.964 8.981 ( 0.212 0.883 1.068) 1.402 9.073 ( 1.165 3.272 -2.313) 4.173 9.143 ( 2.016 0.362 1.931) 2.815 9.222 ( 3.012 0.686 -0.751) 3.179 13.210 ( 0.051 0.890 0.127) 0.901 13.220 ( 0.361 0.415 -0.240) 0.600 13.260 ( -1.042 0.166 -0.019) 1.055 13.266 ( 0.106 0.577 0.242) 0.635 13.389 ( 0.040 0.416 -1.120) 1.195 13.429 ( 0.824 -0.050 1.961) 2.128 13.534 ( -1.785 0.564 -2.099) 2.812 13.577 ( -1.014 0.248 1.215) 1.602 23.681 ( -1.633 0.173 1.073) 1.962 23.790 ( -2.159 -2.275 -0.707) 3.215 24.050 ( 2.953 -2.872 -2.139) 4.642 24.083 ( -0.645 -6.232 1.885) 6.543 25.856 ( 4.329 1.347 0.588) 4.572 26.054 ( 4.158 0.623 0.201) 4.209 26.119 ( 3.018 1.726 2.442) 4.249 26.301 ( -3.598 1.413 -1.244) 4.061 ======================= Grid point 105 (45/70) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 15.026 -5.078 3.538) 16.251 1.861 ( 16.402 -5.905 2.102) 17.559 2.009 ( 17.133 -2.537 -5.734) 18.244 2.052 ( 11.608 -9.470 5.775) 16.056 2.291 ( 6.495 6.593 -6.946) 11.571 2.331 ( 5.865 1.748 4.833) 7.798 2.448 ( 5.096 -0.081 2.399) 5.633 2.488 ( 2.289 0.447 -3.993) 4.624 2.501 ( 3.095 3.296 -1.827) 4.876 2.604 ( -1.107 5.925 0.488) 6.047 2.826 ( 8.164 2.166 4.658) 9.645 2.850 ( 5.137 5.407 -9.962) 12.445 3.078 ( 5.538 -5.654 -0.851) 7.960 3.202 ( 0.130 -8.671 3.336) 9.291 3.400 ( -3.605 -1.447 0.230) 3.891 3.462 ( 7.115 -2.992 2.909) 8.249 3.567 ( 10.039 -5.733 -1.537) 11.663 3.653 ( -0.657 -0.005 6.490) 6.523 3.720 ( 0.606 -5.310 0.093) 5.346 3.834 ( 1.301 -2.149 -0.092) 2.514 3.938 ( -0.060 -1.519 1.811) 2.364 4.009 ( -0.690 -0.588 -0.733) 1.165 4.090 ( 0.063 -1.362 -3.000) 3.295 4.191 ( -3.276 -1.326 -2.939) 4.596 4.196 ( -4.079 3.778 2.262) 6.003 4.261 ( -2.560 -0.991 -4.613) 5.368 4.335 ( -0.504 -4.660 -4.022) 6.177 4.370 ( -2.349 2.698 1.581) 3.911 4.416 ( -0.911 -1.718 1.879) 2.704 4.543 ( -0.077 -3.801 -4.101) 5.592 4.708 ( -4.627 -2.461 0.207) 5.245 4.753 ( -4.722 -2.705 -0.107) 5.443 4.796 ( -2.772 -2.886 -1.298) 4.207 4.836 ( -4.108 5.037 11.511) 13.219 4.902 ( 9.703 -1.140 5.081) 11.012 5.017 ( 5.284 -1.802 -5.506) 7.841 5.275 ( 1.957 -3.332 -1.902) 4.307 5.411 ( -5.605 4.343 -9.648) 11.973 5.478 ( -5.795 -0.692 6.904) 9.040 5.760 ( -0.888 8.983 2.380) 9.335 5.812 ( 3.679 7.028 -2.304) 8.261 6.019 ( -2.427 6.715 0.839) 7.189 7.979 ( -1.727 -3.939 0.725) 4.361 8.023 ( -2.040 -4.079 -0.744) 4.621 8.345 ( -0.289 2.829 -0.212) 2.852 8.370 ( -1.423 2.593 0.556) 3.010 8.968 ( 0.482 1.389 1.022) 1.791 9.026 ( 1.068 2.728 -2.072) 3.588 9.157 ( 1.759 0.976 1.865) 2.743 9.230 ( 2.100 1.272 -1.071) 2.678 13.191 ( -0.237 1.077 0.296) 1.142 13.211 ( 0.367 0.951 -0.526) 1.147 13.245 ( -0.913 0.286 0.188) 0.976 13.257 ( 0.149 0.632 0.076) 0.653 13.381 ( 0.291 0.530 -0.477) 0.770 13.442 ( 0.748 0.092 1.641) 1.806 13.499 ( -1.479 0.675 -1.673) 2.333 13.565 ( -0.855 0.158 0.518) 1.013 23.687 ( -0.432 -1.693 0.590) 1.844 23.801 ( -2.207 -2.051 -0.548) 3.062 24.127 ( 0.620 -3.809 0.683) 3.920 24.190 ( 0.000 -6.142 -0.901) 6.207 25.869 ( 4.079 2.937 0.855) 5.098 26.052 ( 3.570 3.706 1.059) 5.254 26.117 ( -0.480 1.437 0.247) 1.535 26.244 ( -1.391 1.202 -1.475) 2.357 ======================= Grid point 106 (46/70) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 4.272 0.297 2.907) 5.176 2.100 ( 9.050 -3.228 -0.986) 9.659 2.174 ( 6.015 7.638 -2.429) 10.021 2.239 ( 10.121 -1.883 1.823) 10.455 2.251 ( 12.147 4.087 4.189) 13.483 2.358 ( 4.148 7.076 2.288) 8.515 2.424 ( 3.855 2.518 -0.904) 4.692 2.443 ( -0.042 2.353 -2.887) 3.725 2.508 ( 2.188 4.321 -2.923) 5.657 2.568 ( 7.794 -1.115 2.315) 8.207 2.722 ( 0.801 8.649 -5.608) 10.340 2.814 ( 1.991 7.526 -0.153) 7.786 3.101 ( -7.792 1.518 0.328) 7.945 3.329 ( -6.802 -6.530 4.330) 10.376 3.440 ( 2.603 -4.301 -0.605) 5.064 3.560 ( 2.056 -2.982 -0.655) 3.680 3.653 ( -2.389 -0.682 -3.462) 4.262 3.725 ( 1.255 -3.246 4.972) 6.069 3.806 ( 1.830 -2.698 1.495) 3.586 3.870 ( 0.540 -0.310 -1.893) 1.993 3.972 ( -1.616 -0.700 0.664) 1.882 4.016 ( 2.052 0.450 0.225) 2.113 4.078 ( -2.468 2.172 -6.223) 7.038 4.139 ( -2.108 -1.174 2.770) 3.674 4.195 ( -0.439 -1.857 -0.372) 1.944 4.249 ( -0.523 -1.858 -1.850) 2.674 4.328 ( 0.546 -1.096 3.761) 3.955 4.436 ( 3.608 -4.851 1.025) 6.132 4.476 ( 3.362 -4.599 -0.513) 5.720 4.610 ( -0.174 -3.505 -3.630) 5.049 4.673 ( -5.264 2.803 1.600) 6.175 4.682 ( -3.813 -0.937 -0.121) 3.928 4.768 ( -3.173 0.194 1.242) 3.412 4.828 ( -1.232 -1.683 4.137) 4.633 4.994 ( 4.936 0.316 -1.194) 5.088 5.085 ( 3.933 1.581 -4.328) 6.058 5.254 ( -2.437 3.598 -3.658) 5.680 5.341 ( 0.070 -2.143 1.302) 2.509 5.455 ( -4.102 -1.641 2.867) 5.267 5.552 ( -1.817 8.938 2.034) 9.345 5.796 ( 4.298 2.545 -1.881) 5.338 5.921 ( -2.469 2.742 0.497) 3.724 8.039 ( -1.251 -4.870 0.842) 5.098 8.075 ( -1.356 -4.594 -0.765) 4.851 8.289 ( -0.284 3.316 0.312) 3.343 8.311 ( -0.488 3.187 -0.246) 3.234 8.953 ( 0.745 1.241 0.691) 1.604 8.996 ( 0.247 1.344 -1.171) 1.800 9.157 ( 1.287 1.490 1.749) 2.634 9.223 ( 1.299 1.424 -1.419) 2.394 13.174 ( -0.166 0.777 0.365) 0.874 13.198 ( 0.163 0.749 -0.633) 0.994 13.232 ( -0.455 0.384 0.311) 0.672 13.249 ( 0.014 0.414 -0.078) 0.421 13.376 ( 0.475 0.464 0.091) 0.671 13.442 ( -0.421 0.523 -0.335) 0.750 13.482 ( 0.019 -0.022 0.528) 0.529 13.557 ( -0.626 -0.199 -0.225) 0.694 23.723 ( 0.326 -2.228 0.821) 2.397 23.811 ( -1.651 -2.003 -1.239) 2.876 24.191 ( -0.169 -3.029 2.523) 3.945 24.276 ( 0.216 -4.098 -2.275) 4.692 25.852 ( 3.933 4.131 0.231) 5.709 26.035 ( 2.622 3.290 0.759) 4.274 26.059 ( -3.164 1.740 1.315) 3.843 26.222 ( -0.191 0.237 -2.038) 2.060 ======================= Grid point 107 (47/70) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.688 12.357 2.757) 12.679 2.035 ( 1.004 11.604 0.982) 11.689 2.142 ( 1.360 9.190 -3.821) 10.045 2.176 ( 2.518 3.943 -2.174) 5.160 2.252 ( 5.183 10.456 -1.891) 11.822 2.344 ( -0.894 4.704 -3.390) 5.867 2.365 ( 1.413 2.331 -1.941) 3.346 2.454 ( 2.166 5.754 1.924) 6.442 2.554 ( -3.362 4.011 -0.371) 5.247 2.608 ( 11.847 0.081 5.322) 12.987 2.638 ( 1.168 0.216 0.296) 1.224 2.733 ( 10.348 2.705 5.312) 11.942 2.971 ( -7.882 2.905 0.343) 8.408 3.250 ( -10.249 4.289 6.288) 12.766 3.480 ( -6.136 3.373 -7.059) 9.943 3.486 ( -2.262 5.749 -5.753) 8.442 3.642 ( 4.572 1.518 2.616) 5.481 3.784 ( -0.456 0.399 5.100) 5.136 3.822 ( -0.934 1.086 -0.039) 1.433 3.924 ( 3.414 -5.983 -4.809) 8.401 3.946 ( -5.547 1.645 -7.017) 9.095 3.957 ( -2.056 2.105 -2.302) 3.736 4.088 ( 4.350 -1.597 2.524) 5.277 4.131 ( -1.707 -1.666 4.661) 5.236 4.211 ( -2.630 -2.022 0.641) 3.379 4.289 ( 1.332 -1.121 -0.591) 1.838 4.375 ( -0.211 -1.636 2.614) 3.091 4.534 ( 3.927 -0.989 1.225) 4.231 4.586 ( -1.255 -1.722 3.630) 4.209 4.602 ( -5.051 -1.974 -2.813) 6.109 4.670 ( 5.589 -2.661 -1.208) 6.307 4.706 ( 4.432 -0.987 0.071) 4.541 4.751 ( -2.150 -2.242 0.359) 3.127 4.856 ( -0.473 -2.250 4.202) 4.790 4.966 ( -1.286 4.591 -2.692) 5.475 5.047 ( -2.983 -2.045 -6.650) 7.570 5.244 ( 4.950 2.472 2.488) 6.066 5.333 ( -1.818 2.498 2.755) 4.140 5.459 ( -0.459 -0.752 -0.532) 1.029 5.478 ( -1.020 -2.282 -0.871) 2.647 5.806 ( 2.815 0.599 0.139) 2.881 5.870 ( -2.486 0.095 -0.078) 2.489 8.119 ( -0.542 -5.507 0.881) 5.604 8.145 ( -0.445 -5.091 -0.797) 5.172 8.231 ( -0.289 3.276 0.655) 3.354 8.251 ( 0.116 3.497 -0.738) 3.576 8.948 ( 0.647 0.480 0.645) 1.031 8.977 ( -0.393 0.615 -0.718) 1.024 9.144 ( 0.523 1.780 2.007) 2.733 9.205 ( 0.742 1.508 -2.023) 2.630 13.165 ( -0.007 0.293 0.472) 0.556 13.188 ( -0.119 0.200 -0.807) 0.840 13.225 ( 0.155 0.208 0.499) 0.562 13.245 ( -0.198 -0.123 -0.198) 0.306 13.375 ( 0.506 0.316 0.549) 0.811 13.423 ( -0.886 0.324 -1.466) 1.744 13.496 ( 0.802 -0.526 1.880) 2.111 13.557 ( -0.471 -0.691 -0.908) 1.234 23.767 ( 0.773 -1.931 1.029) 2.320 23.824 ( -1.118 -1.476 -1.486) 2.374 24.240 ( 0.452 -1.966 2.448) 3.172 24.316 ( -0.333 -1.243 -2.071) 2.438 25.829 ( 3.430 3.293 0.650) 4.800 25.960 ( -3.668 2.285 -2.917) 5.214 26.057 ( 1.879 0.534 5.499) 5.836 26.216 ( -0.476 -0.665 -3.192) 3.295 ======================= Grid point 108 (48/70) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.343 17.168 6.280) 18.789 1.796 ( -1.198 14.084 -6.545) 15.577 1.883 ( 4.456 23.018 1.083) 23.470 2.035 ( -10.482 15.330 -10.790) 21.478 2.118 ( -0.164 2.717 4.157) 4.969 2.215 ( -0.524 0.909 -5.059) 5.167 2.337 ( 3.807 4.563 -0.386) 5.955 2.353 ( -4.011 2.753 -0.777) 4.927 2.495 ( -1.166 2.906 3.834) 4.950 2.562 ( -0.503 3.544 -1.604) 3.923 2.751 ( 0.575 7.251 6.640) 9.849 2.779 ( 3.895 5.184 7.581) 9.975 2.945 ( 11.474 5.740 8.396) 15.333 3.068 ( -1.378 4.924 9.067) 10.409 3.246 ( -12.587 1.757 -14.548) 19.318 3.335 ( 2.129 11.914 -11.612) 16.773 3.655 ( 3.000 2.782 4.555) 6.123 3.744 ( 4.802 4.457 1.357) 6.691 3.761 ( -1.872 5.762 -0.976) 6.137 3.807 ( -6.202 3.700 -6.827) 9.938 3.962 ( -1.841 -4.863 2.891) 5.949 4.047 ( 2.760 -4.361 -3.106) 6.024 4.149 ( 2.161 -1.690 2.984) 4.054 4.211 ( -0.837 -1.604 -1.934) 2.648 4.234 ( 2.014 -5.185 4.104) 6.912 4.293 ( 1.871 2.100 5.388) 6.078 4.402 ( -2.736 -3.104 -1.505) 4.403 4.509 ( -4.000 1.448 -5.330) 6.819 4.617 ( -2.439 -3.241 1.155) 4.218 4.632 ( 3.594 -1.827 -0.276) 4.041 4.713 ( 2.092 -0.290 1.640) 2.674 4.757 ( -0.743 -1.288 -1.634) 2.210 4.783 ( 3.411 1.323 3.820) 5.290 4.864 ( -3.533 3.137 -2.843) 5.514 4.957 ( 3.799 -5.062 2.657) 6.864 5.031 ( -3.815 -1.228 -3.552) 5.355 5.247 ( 0.761 2.443 1.846) 3.155 5.273 ( -0.941 0.922 0.392) 1.375 5.484 ( -0.041 -1.653 0.999) 1.932 5.535 ( 0.537 -4.322 -1.811) 4.717 5.836 ( 2.619 -0.221 0.838) 2.759 5.857 ( -2.796 -1.638 -0.326) 3.257 8.175 ( -0.262 2.729 0.478) 2.783 8.190 ( 0.268 3.528 -0.716) 3.610 8.215 ( -0.202 -5.471 0.810) 5.535 8.233 ( 0.305 -5.275 -0.672) 5.326 8.953 ( -0.627 -0.503 0.594) 1.000 8.965 ( 0.512 0.341 -0.367) 0.717 9.117 ( -0.528 1.975 2.257) 3.045 9.179 ( 0.671 1.767 -2.741) 3.330 13.166 ( 0.124 -0.228 0.630) 0.682 13.184 ( -0.302 -0.274 -0.941) 1.026 13.233 ( 0.631 -0.343 0.767) 1.051 13.246 ( -0.476 -0.500 -0.447) 0.822 13.378 ( 0.391 0.147 0.961) 1.048 13.409 ( -0.680 -0.117 -1.710) 1.844 13.522 ( 0.780 -0.862 2.233) 2.518 13.565 ( -0.495 -1.135 -1.458) 1.913 23.807 ( 0.107 -1.585 0.576) 1.689 23.824 ( -0.078 0.048 -0.793) 0.798 24.282 ( 1.241 -1.451 0.683) 2.028 24.297 ( -1.245 2.117 -0.497) 2.505 25.822 ( 1.967 1.491 2.205) 3.310 25.886 ( -3.444 0.646 -3.345) 4.844 26.096 ( 2.350 -0.902 5.603) 6.142 26.218 ( -0.961 -1.454 -4.683) 4.997 ======================= Grid point 109 (49/70) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 6.553 19.791 5.086) 21.459 1.537 ( 1.218 12.988 -13.727) 18.937 1.567 ( 3.989 19.016 6.994) 20.650 1.632 ( -2.557 17.202 -7.796) 19.059 2.093 ( -0.869 1.571 7.354) 7.570 2.192 ( -1.070 1.638 0.036) 1.957 2.260 ( -0.172 1.455 -3.616) 3.901 2.314 ( 3.835 5.051 0.652) 6.375 2.419 ( 1.115 10.930 3.929) 11.668 2.463 ( 1.278 7.353 4.756) 8.850 2.572 ( 0.139 8.077 0.262) 8.083 2.633 ( -3.440 11.845 7.078) 14.221 2.814 ( 9.620 18.648 -3.216) 21.228 3.002 ( 10.742 17.716 -11.342) 23.619 3.150 ( -11.841 -10.118 -2.862) 15.836 3.344 ( 11.492 -3.748 5.177) 13.150 3.586 ( -3.704 4.888 1.346) 6.279 3.675 ( -1.908 3.388 -3.952) 5.544 3.696 ( 2.149 1.413 -0.077) 2.573 3.783 ( 5.980 -0.507 -1.068) 6.096 4.022 ( -2.779 -3.412 2.666) 5.145 4.085 ( -2.279 -0.414 -1.779) 2.920 4.186 ( 0.562 0.574 1.930) 2.091 4.244 ( 1.915 -0.846 5.481) 5.867 4.277 ( 1.008 -0.098 -1.456) 1.774 4.334 ( -2.653 -1.441 -2.682) 4.038 4.417 ( -3.257 -2.588 -0.541) 4.195 4.458 ( 0.773 -0.340 0.871) 1.214 4.612 ( -5.272 -0.769 -1.341) 5.494 4.707 ( -1.699 0.027 -1.230) 2.098 4.731 ( 2.807 -1.473 2.406) 3.980 4.766 ( 0.213 2.958 0.739) 3.056 4.771 ( 0.695 -1.639 -2.079) 2.737 4.847 ( 4.990 -2.546 0.140) 5.604 4.986 ( -2.217 0.692 -1.710) 2.884 5.054 ( 3.172 -0.960 -0.752) 3.398 5.228 ( -2.003 -2.763 4.079) 5.319 5.294 ( 3.355 -1.306 -1.332) 3.839 5.488 ( -1.781 1.191 2.251) 3.108 5.615 ( -0.676 -5.292 -0.698) 5.380 5.844 ( -3.194 -1.070 -0.434) 3.397 5.873 ( 1.916 -0.690 0.511) 2.100 8.126 ( -0.670 3.367 -0.466) 3.465 8.132 ( 0.227 2.663 0.276) 2.687 8.301 ( -0.625 -4.798 0.506) 4.865 8.333 ( 0.957 -5.670 -0.279) 5.757 8.946 ( -1.535 -0.533 0.269) 1.647 8.984 ( 1.436 -0.772 0.213) 1.644 9.079 ( -1.078 1.824 1.191) 2.431 9.150 ( 1.233 1.916 -2.478) 3.367 13.177 ( 0.099 -0.660 0.659) 0.938 13.187 ( -0.117 -0.620 -0.713) 0.953 13.248 ( -0.618 -0.560 -0.667) 1.068 13.251 ( 0.674 -0.675 0.804) 1.248 13.383 ( 0.186 -0.039 1.237) 1.252 13.404 ( -0.342 -0.396 -1.731) 1.809 13.550 ( 0.440 -0.994 2.368) 2.606 13.576 ( -0.716 -1.347 -1.849) 2.398 23.791 ( -2.144 0.809 -0.222) 2.303 23.849 ( 2.114 -0.462 -0.190) 2.172 24.213 ( -2.965 4.994 1.382) 5.970 24.313 ( 1.532 0.170 -1.283) 2.005 25.809 ( -2.839 0.214 1.235) 3.103 25.872 ( 1.689 -0.902 -0.175) 1.923 26.148 ( -0.948 -1.280 1.711) 2.338 26.225 ( 0.835 -1.854 -2.965) 3.595 ======================= Grid point 113 (50/70) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 19.747 0.000 6.228) 20.706 1.755 ( 18.491 0.000 4.696) 19.078 1.833 ( 18.951 0.000 4.165) 19.403 1.882 ( 17.601 0.000 -12.216) 21.425 2.363 ( 5.628 0.000 -2.779) 6.276 2.368 ( 3.027 0.000 1.363) 3.320 2.409 ( 4.712 0.000 1.904) 5.082 2.483 ( 4.933 0.000 -8.803) 10.090 2.592 ( 6.089 0.000 -1.850) 6.364 2.755 ( 5.449 0.000 7.524) 9.290 2.780 ( 1.585 0.000 5.654) 5.872 2.860 ( 13.349 0.000 -9.752) 16.531 3.020 ( 10.181 0.000 -2.346) 10.448 3.130 ( -3.944 -0.000 0.753) 4.015 3.372 ( -5.711 -0.000 -2.748) 6.338 3.409 ( 19.163 0.000 13.459) 23.417 3.505 ( 8.673 0.000 -1.608) 8.821 3.552 ( 2.295 0.000 2.598) 3.466 3.726 ( -11.057 -0.000 -0.143) 11.058 3.771 ( 7.343 0.000 1.983) 7.606 3.937 ( -2.831 -0.000 -0.829) 2.950 3.972 ( -3.308 -0.000 -2.389) 4.081 4.011 ( 0.283 0.000 -2.561) 2.576 4.205 ( -3.439 -0.000 -4.760) 5.873 4.208 ( 3.092 0.000 3.025) 4.326 4.245 ( -1.278 -0.000 -4.300) 4.486 4.307 ( -3.364 -0.000 -4.018) 5.240 4.330 ( -4.901 -0.000 5.181) 7.132 4.435 ( -3.529 -0.000 -2.078) 4.096 4.500 ( 2.067 0.000 1.024) 2.307 4.590 ( -1.835 -0.000 0.990) 2.085 4.658 ( -4.843 -0.000 0.088) 4.844 4.749 ( -5.448 -0.000 -2.120) 5.845 4.891 ( 9.886 0.000 10.544) 14.454 4.963 ( -1.233 -0.000 11.027) 11.096 4.974 ( 4.782 0.000 -9.004) 10.195 5.220 ( 3.591 0.000 -5.445) 6.522 5.411 ( -6.475 -0.000 7.795) 10.134 5.545 ( -4.236 -0.000 -10.255) 11.095 5.877 ( 8.309 0.000 -8.444) 11.846 5.952 ( -4.257 -0.000 7.151) 8.323 6.250 ( -10.109 -0.000 0.730) 10.135 7.904 ( -1.748 -0.000 0.963) 1.996 7.934 ( -1.504 -0.000 -1.127) 1.879 8.398 ( -0.264 -0.000 -0.649) 0.701 8.417 ( -1.863 -0.000 1.100) 2.164 8.996 ( 0.452 0.000 1.050) 1.144 9.103 ( 0.191 0.000 -2.668) 2.674 9.172 ( 1.802 0.000 2.599) 3.163 9.258 ( 2.545 0.000 -0.936) 2.711 13.217 ( -0.372 -0.000 0.275) 0.463 13.228 ( 0.615 0.000 -0.600) 0.859 13.250 ( -0.935 -0.000 0.115) 0.942 13.271 ( -0.095 -0.000 0.221) 0.241 13.392 ( 0.277 0.000 -0.780) 0.827 13.443 ( 0.950 0.000 1.905) 2.129 13.514 ( -1.808 -0.000 -1.892) 2.617 13.569 ( -1.179 -0.000 0.751) 1.398 23.670 ( -2.074 -0.000 2.390) 3.164 23.747 ( -0.695 -0.000 -3.102) 3.179 24.023 ( -0.922 -0.000 4.842) 4.929 24.063 ( 3.776 0.000 -4.070) 5.552 25.918 ( 4.304 0.000 0.765) 4.372 26.111 ( 4.876 0.000 0.867) 4.952 26.178 ( 2.324 0.000 2.746) 3.597 26.265 ( -3.442 -0.000 -3.170) 4.679 ======================= Grid point 114 (51/70) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 13.901 -2.243 5.910) 15.271 1.975 ( 15.526 -2.291 2.724) 15.929 2.056 ( 12.732 -4.905 -1.784) 13.761 2.114 ( 16.458 -5.778 -2.637) 17.641 2.400 ( 1.830 -1.105 -0.102) 2.140 2.411 ( 4.429 0.934 0.047) 4.526 2.475 ( 4.830 -0.316 -1.084) 4.960 2.502 ( 3.275 0.155 -6.563) 7.336 2.625 ( 5.535 3.697 -1.392) 6.800 2.689 ( -3.501 6.131 4.542) 8.395 2.887 ( 2.468 -4.461 4.372) 6.716 2.959 ( 7.199 1.593 -5.873) 9.426 3.083 ( -3.371 -1.760 -1.601) 4.126 3.100 ( 3.275 0.044 0.194) 3.281 3.308 ( -4.351 -0.228 1.556) 4.626 3.521 ( -0.531 -5.949 -0.403) 5.986 3.555 ( -1.942 2.588 -3.176) 4.535 3.652 ( 7.418 -0.113 0.581) 7.441 3.723 ( 9.741 -0.534 5.615) 11.256 3.879 ( 0.656 1.200 -0.467) 1.445 3.918 ( 2.759 -2.682 4.516) 5.933 3.984 ( 5.339 -2.729 3.019) 6.713 4.049 ( 0.567 -2.882 -0.673) 3.014 4.151 ( -3.667 -0.932 -2.717) 4.658 4.179 ( -5.243 -0.056 -7.505) 9.156 4.221 ( -1.227 2.371 1.994) 3.333 4.296 ( 2.620 -0.292 -0.944) 2.800 4.356 ( 0.132 -3.594 2.995) 4.680 4.376 ( -3.769 0.963 -1.603) 4.207 4.512 ( 0.412 -0.349 -0.899) 1.049 4.607 ( -4.388 -2.094 0.269) 4.869 4.638 ( -2.679 -4.412 0.141) 5.164 4.701 ( -4.278 -1.436 -0.927) 4.607 4.875 ( -6.309 2.515 13.363) 14.990 5.003 ( 6.254 0.871 -8.188) 10.340 5.092 ( 10.527 -1.612 3.828) 11.317 5.261 ( 3.719 -1.315 -5.497) 6.766 5.344 ( -7.674 0.642 -6.642) 10.169 5.463 ( -2.357 2.397 3.731) 5.022 5.865 ( -5.462 5.261 6.173) 9.779 5.926 ( 5.832 2.631 -6.030) 8.792 6.085 ( -7.752 5.739 1.256) 9.727 7.909 ( -1.302 -2.352 0.817) 2.810 7.939 ( -1.552 -2.699 -0.835) 3.223 8.379 ( -0.358 1.661 -0.152) 1.706 8.391 ( -1.029 1.275 0.339) 1.673 8.995 ( 0.439 0.939 1.322) 1.680 9.076 ( 0.268 2.247 -2.768) 3.576 9.192 ( 1.390 0.532 2.679) 3.065 9.270 ( 1.675 1.014 -1.299) 2.350 13.206 ( -0.283 0.808 0.267) 0.897 13.225 ( -0.072 0.549 -0.836) 1.003 13.242 ( -0.218 0.207 0.520) 0.600 13.267 ( -0.135 0.381 0.002) 0.404 13.392 ( 0.532 0.347 -0.175) 0.659 13.455 ( 0.460 0.167 1.064) 1.171 13.489 ( -1.065 0.285 -0.990) 1.482 13.557 ( -1.095 0.063 0.147) 1.106 23.662 ( -0.875 -0.843 1.924) 2.276 23.747 ( -0.848 -1.421 -2.786) 3.241 24.058 ( -1.558 -3.661 4.887) 6.302 24.120 ( 2.917 -3.332 -4.147) 6.067 25.955 ( 3.988 1.334 1.481) 4.459 26.145 ( 2.219 1.777 0.656) 2.918 26.158 ( 0.594 3.866 0.713) 3.976 26.235 ( -1.063 -0.161 -2.272) 2.514 ======================= Grid point 115 (52/70) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 5.984 1.295 4.539) 7.621 2.161 ( 9.271 -1.431 -0.815) 9.416 2.251 ( 5.029 -5.011 1.330) 7.223 2.330 ( 9.269 0.766 0.047) 9.300 2.413 ( -1.144 -0.262 0.453) 1.258 2.445 ( -0.666 -0.359 2.480) 2.593 2.473 ( 4.429 3.732 -3.807) 6.931 2.522 ( 3.807 3.717 -3.252) 6.235 2.602 ( 3.769 -0.169 1.065) 3.921 2.608 ( 4.210 1.937 -0.014) 4.635 2.867 ( 0.331 7.884 -6.373) 10.143 2.939 ( -3.840 6.360 -4.052) 8.462 3.068 ( -3.107 -1.903 5.267) 6.405 3.153 ( -1.673 -4.910 4.268) 6.717 3.356 ( 2.185 -6.423 1.013) 6.860 3.521 ( -1.037 -3.000 -1.578) 3.545 3.621 ( -0.030 -3.036 0.711) 3.118 3.716 ( 4.016 1.110 -1.983) 4.614 3.805 ( 3.256 -0.316 1.829) 3.748 3.855 ( -0.115 -1.175 -1.065) 1.590 3.906 ( -6.826 0.438 -2.736) 7.367 4.038 ( -0.954 -1.771 1.099) 2.293 4.099 ( -2.601 2.286 -8.905) 9.554 4.125 ( 2.455 -0.436 4.285) 4.958 4.155 ( -3.082 0.931 -0.084) 3.221 4.237 ( 3.345 -1.775 4.436) 5.832 4.340 ( 2.022 -2.183 0.429) 3.006 4.389 ( 7.303 -4.804 4.265) 9.726 4.450 ( 2.355 -3.259 2.164) 4.566 4.526 ( -3.569 -3.172 -3.157) 5.725 4.605 ( -0.137 -2.405 0.202) 2.418 4.664 ( -1.698 0.032 1.747) 2.437 4.693 ( -3.707 -3.007 -1.026) 4.882 4.824 ( -2.669 0.091 11.071) 11.388 5.027 ( 3.942 1.122 -10.163) 10.958 5.135 ( -7.285 2.716 -10.018) 12.681 5.262 ( 2.922 -2.229 -0.029) 3.675 5.314 ( 1.663 -1.657 -2.711) 3.586 5.443 ( 3.152 3.304 8.153) 9.345 5.675 ( -6.368 8.862 3.423) 11.437 5.905 ( 3.209 4.726 -2.243) 6.137 5.946 ( -3.076 3.688 0.082) 4.803 7.954 ( -0.705 -3.941 0.887) 4.101 7.982 ( -1.067 -4.218 -0.725) 4.411 8.337 ( -0.548 2.709 0.738) 2.861 8.355 ( 0.037 2.324 -0.782) 2.452 8.982 ( 0.073 1.361 1.527) 2.047 9.033 ( 0.511 2.397 -2.395) 3.427 9.195 ( 0.671 1.195 2.495) 2.847 9.258 ( 0.859 1.543 -1.690) 2.444 13.189 ( -0.086 0.995 0.405) 1.078 13.209 ( -0.225 0.791 -0.878) 1.203 13.238 ( 0.085 0.461 0.671) 0.819 13.257 ( -0.155 0.532 -0.276) 0.620 13.392 ( 0.694 0.532 0.404) 0.963 13.442 ( -1.158 0.613 -1.107) 1.715 13.489 ( 0.893 0.006 1.317) 1.591 13.545 ( -0.889 -0.099 -0.526) 1.038 23.688 ( -0.354 -2.218 2.144) 3.105 23.761 ( -0.198 -1.835 -3.099) 3.607 24.121 ( -1.937 -4.488 4.851) 6.887 24.206 ( 1.958 -4.446 -4.083) 6.346 25.966 ( 4.126 3.127 0.999) 5.273 26.068 ( -3.419 3.798 0.360) 5.123 26.129 ( 2.168 3.653 1.518) 4.511 26.220 ( -0.333 0.495 -2.559) 2.628 ======================= Grid point 116 (53/70) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.703 4.850 5.642) 7.632 2.167 ( -3.009 4.284 -6.322) 8.208 2.260 ( 1.607 6.769 2.174) 7.289 2.291 ( 0.826 8.239 0.323) 8.287 2.342 ( -3.334 0.947 0.306) 3.479 2.410 ( -0.392 1.567 -4.352) 4.643 2.528 ( 0.376 -1.489 4.257) 4.526 2.564 ( 5.481 7.136 -0.280) 9.002 2.575 ( 1.624 3.263 3.583) 5.111 2.672 ( -1.899 7.589 -2.982) 8.372 2.704 ( -5.134 4.632 -2.104) 7.228 2.775 ( 2.864 -6.113 -5.796) 8.897 3.055 ( 5.963 6.320 8.694) 12.292 3.178 ( -6.437 -0.529 0.009) 6.458 3.459 ( -3.232 -0.228 0.833) 3.346 3.544 ( 1.921 0.764 -2.132) 2.970 3.679 ( 4.478 -4.894 -0.227) 6.637 3.724 ( -3.267 -1.860 0.561) 3.801 3.811 ( -1.018 -1.555 -2.036) 2.756 3.866 ( 1.187 -1.839 1.259) 2.525 3.900 ( -2.726 -1.425 -1.576) 3.456 3.970 ( -2.411 2.793 -5.833) 6.902 4.077 ( 2.002 -0.407 1.566) 2.574 4.146 ( -0.998 -2.272 -3.340) 4.160 4.177 ( 2.151 0.283 5.268) 5.697 4.265 ( 1.400 0.078 -1.644) 2.161 4.414 ( 4.014 -0.686 5.741) 7.038 4.489 ( -5.691 -3.418 -0.704) 6.675 4.535 ( -1.814 -3.281 3.086) 4.856 4.563 ( 4.960 -1.773 -0.058) 5.267 4.650 ( 0.031 -3.673 -0.569) 3.717 4.690 ( -0.446 -1.002 -1.862) 2.161 4.739 ( 6.891 -3.466 4.941) 9.160 4.844 ( -0.017 -0.676 8.037) 8.065 4.920 ( -11.280 1.214 -10.592) 15.521 5.042 ( 2.141 2.421 -8.470) 9.066 5.328 ( -2.449 -0.161 1.526) 2.890 5.346 ( 3.584 -1.942 0.061) 4.077 5.434 ( 2.748 3.571 4.713) 6.520 5.504 ( -1.789 5.054 -0.987) 5.451 5.844 ( -2.798 1.444 1.277) 3.398 5.882 ( 2.371 3.712 -1.726) 4.730 8.029 ( -0.082 -4.947 1.103) 5.070 8.053 ( -0.067 -5.030 -0.889) 5.109 8.283 ( -0.342 3.171 0.990) 3.339 8.310 ( 0.499 3.081 -1.156) 3.328 8.961 ( -0.659 1.044 1.415) 1.878 8.999 ( 0.681 1.702 -1.807) 2.574 9.179 ( -0.335 1.659 2.411) 2.946 9.232 ( 0.251 1.553 -2.032) 2.570 13.175 ( 0.111 0.718 0.564) 0.919 13.192 ( -0.183 0.682 -0.873) 1.123 13.233 ( 0.200 0.352 0.662) 0.776 13.245 ( -0.148 0.428 -0.411) 0.612 13.391 ( 0.626 0.573 0.858) 1.207 13.416 ( -1.029 0.495 -1.341) 1.761 13.505 ( 1.130 -0.143 1.714) 2.058 13.539 ( -0.717 -0.420 -1.155) 1.423 23.729 ( -1.015 -2.663 2.191) 3.595 23.792 ( 1.466 -1.764 -3.109) 3.863 24.185 ( -1.865 -4.152 4.364) 6.306 24.281 ( 1.468 -3.029 -3.612) 4.937 25.940 ( 2.758 5.065 0.849) 5.830 25.962 ( -3.550 3.329 -0.937) 4.956 26.105 ( 0.982 1.593 4.034) 4.447 26.200 ( -0.232 0.389 -3.751) 3.778 ======================= Grid point 117 (54/70) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.438 10.040 2.545) 10.367 1.987 ( 0.507 11.483 -2.614) 11.788 2.136 ( -4.660 9.792 0.833) 10.876 2.189 ( -0.978 2.973 0.104) 3.132 2.212 ( -5.834 7.261 -2.593) 9.669 2.284 ( 0.370 14.701 -0.545) 14.716 2.338 ( -8.126 4.959 -1.440) 9.628 2.460 ( 3.068 5.570 0.772) 6.406 2.546 ( -0.267 2.963 2.569) 3.931 2.619 ( 4.091 1.714 -0.489) 4.463 2.739 ( -9.495 -8.844 1.924) 13.118 2.788 ( -7.535 0.834 -1.470) 7.723 3.048 ( -3.161 6.322 -4.060) 8.152 3.167 ( 18.745 -0.326 8.357) 20.526 3.345 ( -0.186 7.924 1.401) 8.050 3.525 ( 4.479 6.785 -5.073) 9.583 3.700 ( -3.908 0.567 4.501) 5.988 3.772 ( -2.822 0.153 -3.908) 4.822 3.805 ( 0.808 2.014 0.052) 2.171 3.868 ( 2.761 -0.858 1.868) 3.442 3.923 ( 1.583 2.157 -2.503) 3.664 3.989 ( 4.325 -5.477 -5.663) 8.987 4.131 ( 1.644 -3.046 3.445) 4.884 4.145 ( -3.922 -1.755 -0.632) 4.343 4.206 ( 1.249 -1.330 2.639) 3.208 4.283 ( 1.426 -1.276 -3.698) 4.164 4.445 ( 1.830 3.004 6.148) 7.083 4.474 ( -1.738 -0.120 -1.052) 2.035 4.554 ( -1.889 -2.183 0.942) 3.037 4.633 ( 1.946 -1.506 -0.225) 2.471 4.685 ( -1.875 -4.383 -1.221) 4.922 4.738 ( 0.774 -0.491 -0.700) 1.153 4.781 ( -7.827 -2.043 -4.270) 9.147 4.869 ( 4.185 0.746 4.558) 6.233 4.898 ( 1.592 -4.660 4.991) 7.011 4.997 ( 0.075 1.471 -6.841) 6.998 5.269 ( -4.443 2.230 0.720) 5.023 5.347 ( 2.399 5.461 1.991) 6.288 5.461 ( 0.865 -3.690 -0.511) 3.824 5.474 ( 1.197 -0.915 -0.908) 1.759 5.808 ( -2.907 -0.357 0.040) 2.929 5.867 ( 2.414 0.957 0.113) 2.599 8.120 ( 0.154 -5.388 0.956) 5.474 8.142 ( 0.592 -5.179 -0.766) 5.269 8.229 ( 0.028 3.134 0.561) 3.184 8.256 ( 0.441 3.565 -0.786) 3.677 8.941 ( -1.167 0.341 0.750) 1.428 8.984 ( 0.953 0.764 -0.833) 1.478 9.144 ( -1.391 1.900 2.050) 3.122 9.204 ( 0.060 1.355 -2.017) 2.431 13.170 ( 0.150 0.298 0.651) 0.732 13.180 ( -0.106 0.267 -0.760) 0.812 13.234 ( -0.049 -0.091 0.168) 0.198 13.239 ( 0.155 0.092 -0.074) 0.195 13.388 ( -0.111 0.367 0.598) 0.710 13.400 ( -0.111 0.247 -0.736) 0.784 13.525 ( 0.969 -0.384 1.818) 2.096 13.538 ( -0.698 -0.790 -1.639) 1.949 23.763 ( -1.388 -2.389 1.064) 2.961 23.829 ( 2.061 -0.785 -1.592) 2.720 24.237 ( -1.779 -3.085 2.481) 4.340 24.319 ( 1.405 -0.361 -2.056) 2.516 25.849 ( -4.060 2.709 -0.469) 4.904 25.908 ( 1.861 3.289 0.928) 3.891 26.116 ( 0.937 -0.259 3.620) 3.749 26.188 ( 0.025 -0.227 -4.002) 4.009 ======================= Grid point 118 (55/70) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -3.370 12.721 -8.144) 15.476 1.790 ( 4.184 15.622 1.546) 16.246 1.851 ( 2.185 15.687 -1.179) 15.882 2.002 ( 1.497 16.360 8.230) 18.374 2.111 ( -1.907 1.191 2.177) 3.129 2.180 ( 0.137 -0.111 -2.272) 2.279 2.223 ( -4.716 0.438 0.542) 4.768 2.429 ( 2.589 2.913 -0.031) 3.897 2.507 ( 0.311 1.790 3.408) 3.862 2.614 ( 2.200 4.803 -0.165) 5.286 2.629 ( -6.189 2.708 -0.948) 6.821 2.789 ( -13.908 -10.923 -9.176) 19.924 2.911 ( 6.484 11.857 4.027) 14.101 3.199 ( 6.921 13.705 4.387) 15.968 3.404 ( 11.418 13.448 -4.757) 18.271 3.436 ( 13.691 -3.361 3.899) 14.627 3.645 ( -1.132 3.063 -0.032) 3.265 3.653 ( -3.984 3.668 -3.732) 6.577 3.805 ( 1.832 2.188 0.578) 2.912 3.866 ( 3.896 6.676 0.962) 7.790 3.925 ( -1.136 -3.825 1.769) 4.365 4.048 ( -1.843 -0.232 -2.901) 3.445 4.167 ( -1.225 -5.766 -2.675) 6.473 4.208 ( 1.116 -2.328 0.169) 2.587 4.260 ( -2.768 -3.106 2.205) 4.708 4.313 ( 2.204 1.009 -2.496) 3.479 4.408 ( 0.809 1.764 3.532) 4.030 4.464 ( -0.217 0.227 2.079) 2.103 4.567 ( -1.208 0.485 1.256) 1.809 4.662 ( -7.777 -0.514 -1.937) 8.031 4.693 ( 2.484 -4.320 -1.238) 5.134 4.738 ( -0.073 -2.487 -2.802) 3.747 4.810 ( 2.883 -1.174 0.088) 3.114 4.876 ( 1.080 1.551 2.189) 2.892 4.936 ( -2.193 -1.129 -2.373) 3.423 5.060 ( 3.077 -5.504 3.680) 7.301 5.177 ( -4.106 2.379 0.018) 4.746 5.307 ( 1.067 0.514 -0.032) 1.185 5.499 ( 0.882 -0.029 0.496) 1.013 5.530 ( -0.134 -3.575 -1.023) 3.721 5.782 ( -3.593 -0.447 0.175) 3.625 5.890 ( 1.945 -0.510 0.240) 2.025 8.169 ( -0.206 2.558 -0.059) 2.567 8.187 ( -0.480 3.413 -0.046) 3.447 8.214 ( 0.052 -5.050 0.327) 5.061 8.252 ( 1.250 -4.600 -0.303) 4.776 8.927 ( -1.118 -0.061 0.294) 1.158 8.991 ( 1.174 -0.212 -0.049) 1.194 9.098 ( -1.524 1.809 0.960) 2.553 9.180 ( 0.288 1.157 -1.429) 1.861 13.171 ( -0.032 -0.189 0.277) 0.337 13.179 ( 0.125 -0.269 -0.191) 0.353 13.233 ( -0.280 -0.302 -0.595) 0.724 13.248 ( 0.290 -0.512 0.548) 0.804 13.382 ( -0.537 -0.114 -0.453) 0.712 13.400 ( 0.509 0.149 0.606) 0.805 13.541 ( -0.879 -1.087 -1.953) 2.401 13.547 ( 0.568 -0.603 1.820) 1.999 23.775 ( -1.541 -0.477 0.019) 1.614 23.857 ( 1.522 -0.550 -0.172) 1.628 24.242 ( -2.020 0.950 -0.119) 2.235 24.329 ( 1.246 0.303 0.180) 1.295 25.780 ( -3.099 0.531 -0.733) 3.228 25.892 ( 1.116 0.893 2.560) 2.932 26.134 ( 0.147 -0.085 -1.418) 1.428 26.199 ( 0.647 -1.644 -0.349) 1.801 ======================= Grid point 123 (56/70) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 6.050 0.000 8.333) 10.298 2.113 ( 12.576 0.000 -2.173) 12.762 2.156 ( 10.225 0.000 -2.804) 10.603 2.213 ( 13.376 0.000 0.150) 13.376 2.383 ( -0.093 -0.000 1.714) 1.717 2.436 ( -0.738 -0.000 -1.471) 1.646 2.490 ( -1.730 -0.000 -2.066) 2.695 2.541 ( 4.116 0.000 -8.153) 9.133 2.722 ( -4.015 -0.000 7.407) 8.425 2.724 ( 7.022 0.000 -1.123) 7.111 2.844 ( -1.224 -0.000 7.862) 7.956 3.015 ( -4.013 -0.000 -1.557) 4.304 3.026 ( 1.766 0.000 -6.457) 6.694 3.068 ( -3.606 -0.000 -5.900) 6.915 3.366 ( 5.294 0.000 10.174) 11.469 3.444 ( -0.202 -0.000 -1.479) 1.493 3.503 ( -4.880 -0.000 -0.381) 4.895 3.800 ( 14.078 0.000 -4.544) 14.793 3.814 ( -0.715 -0.000 -6.165) 6.206 3.834 ( 1.445 0.000 3.714) 3.986 3.932 ( 1.163 0.000 0.309) 1.203 3.991 ( -6.581 -0.000 -2.552) 7.059 4.061 ( -1.729 -0.000 3.671) 4.058 4.103 ( -4.549 -0.000 -8.256) 9.427 4.136 ( 9.716 0.000 8.282) 12.767 4.281 ( -0.581 -0.000 5.367) 5.399 4.287 ( 1.396 0.000 -2.192) 2.599 4.330 ( 1.704 0.000 1.947) 2.587 4.355 ( -0.424 -0.000 -0.204) 0.470 4.503 ( -1.216 -0.000 -2.369) 2.663 4.565 ( -0.232 -0.000 1.593) 1.610 4.591 ( 0.362 0.000 0.343) 0.499 4.663 ( -0.096 -0.000 2.176) 2.179 4.843 ( -8.477 -0.000 13.966) 16.337 5.067 ( 8.205 0.000 -12.345) 14.823 5.126 ( -3.021 -0.000 1.174) 3.241 5.235 ( -8.134 -0.000 -9.335) 12.382 5.280 ( 3.886 0.000 -6.983) 7.991 5.543 ( 8.931 0.000 8.644) 12.429 5.843 ( -8.671 -0.000 6.434) 10.797 6.005 ( 6.133 0.000 -6.176) 8.704 6.039 ( -8.817 -0.000 1.541) 8.951 7.879 ( -0.782 -0.000 0.847) 1.152 7.902 ( -0.774 -0.000 -0.792) 1.107 8.391 ( -0.866 -0.000 0.583) 1.044 8.393 ( 0.194 0.000 -0.552) 0.585 9.012 ( 0.428 0.000 1.495) 1.555 9.086 ( -0.427 -0.000 -2.914) 2.945 9.217 ( 0.985 0.000 3.008) 3.165 9.289 ( 0.771 0.000 -1.595) 1.772 13.211 ( -0.175 -0.000 0.229) 0.289 13.224 ( -0.387 -0.000 -0.606) 0.719 13.248 ( 0.402 0.000 0.434) 0.592 13.267 ( -0.315 -0.000 -0.142) 0.345 13.402 ( 0.758 0.000 0.295) 0.814 13.454 ( -1.199 -0.000 -0.855) 1.473 13.490 ( 0.889 0.000 0.966) 1.313 13.545 ( -1.092 -0.000 -0.331) 1.142 23.648 ( -0.935 -0.000 2.473) 2.644 23.726 ( 0.350 0.000 -3.866) 3.882 24.021 ( -1.572 -0.000 5.314) 5.542 24.111 ( 2.314 0.000 -4.063) 4.676 26.009 ( 3.120 0.000 2.462) 3.974 26.164 ( -2.392 -0.000 -1.386) 2.764 26.214 ( -0.103 -0.000 1.837) 1.840 26.220 ( 2.687 0.000 -2.517) 3.682 ======================= Grid point 124 (57/70) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -3.087 -2.385 6.660) 7.718 2.228 ( 6.269 -0.560 -6.365) 8.951 2.244 ( 3.461 -2.232 4.435) 6.052 2.340 ( -0.193 -2.174 -1.246) 2.513 2.403 ( -6.757 0.216 1.603) 6.948 2.415 ( 1.696 -0.459 1.513) 2.319 2.446 ( -1.202 -3.375 -6.216) 7.174 2.547 ( 0.275 -0.992 -6.314) 6.398 2.675 ( 0.049 3.703 6.028) 7.075 2.757 ( 7.016 5.556 -0.566) 8.968 2.878 ( -6.641 -2.420 4.121) 8.182 2.941 ( -3.020 1.795 -3.823) 5.192 2.983 ( -1.876 -1.514 1.702) 2.951 3.111 ( 1.508 -4.283 -5.038) 6.782 3.388 ( 5.858 2.581 4.392) 7.763 3.446 ( -2.327 -1.767 0.104) 2.923 3.580 ( 5.283 -4.546 4.557) 8.327 3.737 ( -8.104 0.579 -7.045) 10.754 3.828 ( -7.234 3.259 0.717) 7.966 3.846 ( 1.326 1.765 -0.605) 2.288 3.918 ( 6.467 0.753 0.738) 6.553 3.993 ( -1.178 -1.289 -0.034) 1.747 4.041 ( -5.354 -2.568 -2.864) 6.593 4.072 ( 2.284 -1.463 -5.815) 6.416 4.197 ( 1.236 1.141 3.766) 4.125 4.284 ( -1.646 -0.260 -1.386) 2.167 4.308 ( 4.816 -1.401 4.434) 6.695 4.374 ( -1.633 -2.406 -0.957) 3.061 4.432 ( 4.535 -3.340 3.726) 6.752 4.493 ( 2.604 -0.700 -1.443) 3.058 4.598 ( 1.185 -0.926 1.257) 1.960 4.610 ( -1.242 -2.667 0.150) 2.945 4.699 ( 5.087 1.403 8.320) 9.853 4.801 ( -3.643 -1.549 11.546) 12.206 4.990 ( -14.005 1.536 -13.067) 19.216 5.109 ( 7.151 1.798 -11.143) 13.362 5.209 ( -1.619 -3.079 0.948) 3.605 5.305 ( 1.196 -0.854 -4.919) 5.134 5.645 ( 11.973 4.951 7.760) 15.102 5.719 ( -7.371 4.633 2.164) 8.971 5.931 ( -7.001 2.400 2.529) 7.821 6.024 ( 4.261 2.994 -4.269) 6.734 7.897 ( -0.160 -2.414 0.903) 2.583 7.917 ( -0.041 -2.431 -0.696) 2.530 8.371 ( -0.315 1.619 0.540) 1.735 8.386 ( 0.493 1.226 -0.659) 1.477 9.009 ( 0.029 1.231 1.800) 2.181 9.062 ( -0.307 1.376 -2.724) 3.067 9.224 ( 0.247 0.861 2.843) 2.981 9.280 ( -0.092 0.960 -1.888) 2.120 13.205 ( 0.033 0.712 0.356) 0.796 13.216 ( -0.151 0.490 -0.614) 0.799 13.250 ( 0.378 0.408 0.540) 0.775 13.260 ( -0.317 0.272 -0.348) 0.544 13.410 ( 0.901 0.376 0.802) 1.263 13.433 ( -1.427 0.318 -1.173) 1.875 13.506 ( 1.481 0.090 1.333) 1.995 13.532 ( -0.933 -0.048 -0.887) 1.288 23.657 ( -0.594 -1.191 2.529) 2.858 23.734 ( 1.209 -1.179 -4.038) 4.377 24.042 ( -2.168 -3.123 5.264) 6.493 24.151 ( 1.629 -3.162 -3.940) 5.308 26.037 ( 1.973 1.074 3.106) 3.833 26.102 ( -2.239 2.911 -2.107) 4.234 26.190 ( -1.492 2.221 1.385) 3.013 26.233 ( 1.714 1.150 -2.070) 2.924 ======================= Grid point 125 (58/70) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -7.392 -1.256 4.381) 8.684 2.182 ( -4.458 3.145 -5.357) 7.646 2.269 ( -10.358 1.433 4.138) 11.245 2.344 ( -3.035 -4.256 0.129) 5.229 2.354 ( 1.414 0.787 2.587) 3.052 2.398 ( -8.121 -2.807 0.747) 8.625 2.474 ( 1.081 2.152 -3.700) 4.415 2.571 ( -5.465 -1.646 -4.247) 7.114 2.635 ( -0.737 0.786 -2.839) 3.036 2.697 ( 0.288 5.532 0.147) 5.541 2.738 ( -5.047 5.416 0.887) 7.456 2.876 ( 2.718 7.515 -0.794) 8.031 3.071 ( -1.414 -6.284 4.315) 7.753 3.188 ( 3.576 -2.301 0.194) 4.257 3.420 ( -2.536 -0.068 0.880) 2.686 3.513 ( 3.883 -5.790 -2.672) 7.466 3.614 ( -8.666 -2.616 -0.478) 9.065 3.668 ( 3.122 0.731 0.617) 3.265 3.783 ( -1.720 -4.081 2.403) 5.038 3.833 ( 0.414 1.967 3.012) 3.621 3.932 ( -0.459 1.843 -1.970) 2.736 3.951 ( 0.211 -0.303 -0.380) 0.530 4.087 ( 0.836 -2.819 -1.576) 3.336 4.131 ( 5.220 -0.104 -0.719) 5.271 4.187 ( -0.909 0.206 2.946) 3.090 4.277 ( -0.752 -1.169 -4.087) 4.317 4.376 ( -1.871 -2.216 -3.199) 4.318 4.433 ( 5.369 -2.853 5.790) 8.396 4.487 ( -0.969 -2.056 0.186) 2.280 4.563 ( 0.948 -3.250 -3.500) 4.869 4.616 ( -0.942 -0.669 0.556) 1.282 4.670 ( 2.900 -2.953 -0.088) 4.140 4.719 ( -7.116 -1.297 1.819) 7.459 4.800 ( -5.670 0.490 -0.411) 5.706 4.889 ( 7.692 -0.620 9.503) 12.242 5.103 ( 4.759 3.815 -12.195) 13.636 5.259 ( -1.815 -4.357 0.770) 4.783 5.301 ( -3.465 -1.327 -0.888) 3.816 5.577 ( -1.014 5.568 -2.088) 6.033 5.653 ( 8.365 9.587 5.458) 13.844 5.829 ( -5.077 1.791 1.413) 5.566 5.985 ( 2.517 4.760 -1.761) 5.665 7.957 ( 0.425 -4.039 1.018) 4.187 7.977 ( 1.024 -4.150 -0.712) 4.333 8.334 ( 0.111 2.667 0.603) 2.736 8.360 ( 0.718 2.389 -0.812) 2.623 8.981 ( -0.884 1.882 1.657) 2.659 9.028 ( 0.126 1.578 -2.164) 2.681 9.206 ( -0.860 1.673 2.501) 3.129 9.250 ( -0.701 1.322 -1.934) 2.445 13.192 ( 0.161 0.911 0.571) 1.087 13.202 ( 0.037 0.826 -0.755) 1.119 13.245 ( 0.169 0.621 0.531) 0.835 13.251 ( -0.051 0.395 -0.365) 0.541 13.406 ( -0.887 0.556 -0.349) 1.103 13.416 ( 0.621 0.540 0.489) 0.958 13.522 ( -0.571 -0.171 -1.165) 1.308 13.524 ( 1.319 0.132 1.072) 1.705 23.680 ( -1.037 -1.935 1.970) 2.950 23.777 ( 2.852 -2.092 -3.472) 4.957 24.095 ( -2.495 -4.558 4.770) 7.053 24.225 ( 1.353 -4.384 -3.483) 5.760 25.979 ( -4.123 4.094 0.345) 5.820 26.059 ( 3.207 3.972 0.683) 5.151 26.129 ( -2.622 1.320 1.755) 3.420 26.215 ( 0.929 1.703 -2.492) 3.158 ======================= Grid point 126 (59/70) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -6.738 0.858 1.289) 6.913 2.073 ( -6.790 1.296 0.580) 6.937 2.123 ( -7.961 2.998 0.690) 8.534 2.288 ( -5.464 3.086 3.263) 7.073 2.302 ( -4.135 6.287 -0.519) 7.543 2.360 ( -4.610 9.034 -1.285) 10.224 2.377 ( -5.925 -1.916 -2.357) 6.658 2.459 ( -8.305 -1.134 -1.778) 8.568 2.564 ( -4.838 1.869 -4.332) 6.758 2.583 ( -2.613 6.823 5.024) 8.867 2.672 ( -5.397 -0.867 -5.668) 7.874 2.774 ( 3.045 6.884 2.068) 7.806 3.112 ( 0.020 0.116 -0.464) 0.479 3.303 ( 6.982 -4.075 3.985) 9.013 3.394 ( -0.928 -1.187 2.490) 2.911 3.591 ( -5.742 -3.361 -0.860) 6.708 3.651 ( 4.895 -0.295 4.422) 6.603 3.729 ( 2.728 -4.462 -7.310) 8.988 3.819 ( -0.468 -0.001 3.366) 3.398 3.842 ( -0.354 -3.213 2.226) 3.925 3.949 ( 5.342 -0.107 0.538) 5.370 3.985 ( 3.473 -2.141 -1.747) 4.438 4.066 ( -5.987 0.063 -1.306) 6.128 4.180 ( 4.987 1.898 1.230) 5.476 4.195 ( -1.001 -0.334 0.448) 1.146 4.283 ( 1.720 -1.000 -4.583) 4.996 4.410 ( -0.960 -2.223 -1.272) 2.735 4.477 ( -5.048 -4.071 -1.215) 6.598 4.518 ( -7.833 -2.986 -5.980) 10.297 4.552 ( 1.933 -0.445 3.459) 3.988 4.627 ( -2.763 -1.632 0.864) 3.323 4.674 ( 4.762 -0.898 0.641) 4.888 4.769 ( 4.250 -0.680 1.577) 4.584 4.854 ( 1.025 -4.484 6.214) 7.731 4.961 ( 3.291 2.745 4.867) 6.485 5.032 ( 1.368 4.390 -9.373) 10.440 5.235 ( -4.654 0.071 0.140) 4.657 5.369 ( 1.166 -5.846 -1.284) 6.098 5.500 ( 0.901 4.403 0.696) 4.548 5.548 ( 3.448 9.590 1.910) 10.368 5.774 ( -2.789 0.063 -0.682) 2.872 5.929 ( 1.513 3.580 -0.029) 3.887 8.041 ( 0.723 -4.752 0.937) 4.897 8.068 ( 1.667 -4.748 -0.641) 5.073 8.288 ( 0.405 3.288 0.301) 3.327 8.317 ( 0.519 3.272 -0.479) 3.348 8.943 ( -1.234 1.239 0.913) 1.973 9.004 ( 0.371 1.024 -1.273) 1.675 9.163 ( -1.959 2.036 1.741) 3.319 9.216 ( -0.814 1.082 -1.391) 1.941 13.181 ( 0.073 0.713 0.546) 0.901 13.187 ( 0.125 0.761 -0.619) 0.989 13.237 ( -0.032 0.493 0.030) 0.495 13.246 ( 0.272 0.322 0.065) 0.426 13.386 ( -0.903 0.346 -0.673) 1.178 13.416 ( 0.854 0.730 1.192) 1.638 13.516 ( -0.686 -0.427 -1.775) 1.950 13.540 ( 1.273 0.136 1.273) 1.805 23.711 ( -0.844 -2.448 1.133) 2.826 23.834 ( 2.967 -1.318 -2.244) 3.946 24.157 ( -2.096 -4.463 3.281) 5.923 24.299 ( 1.354 -3.114 -2.377) 4.145 25.860 ( -4.178 4.038 -0.213) 5.814 25.994 ( -0.300 4.716 1.987) 5.126 26.123 ( 0.835 -0.368 -0.116) 0.920 26.193 ( 0.421 1.085 -1.424) 1.839 ======================= Grid point 127 (60/70) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -2.328 9.130 1.087) 9.485 1.971 ( -6.491 2.166 1.569) 7.020 2.036 ( -3.513 2.200 1.396) 4.374 2.121 ( -3.482 4.444 -1.840) 5.937 2.170 ( 0.319 9.411 0.180) 9.418 2.199 ( -3.145 2.627 1.073) 4.236 2.302 ( 0.259 8.117 5.979) 10.085 2.381 ( -14.277 -8.137 -7.056) 17.883 2.460 ( -2.853 1.079 -4.904) 5.775 2.528 ( -1.113 0.309 2.110) 2.405 2.589 ( -7.012 -0.051 -3.241) 7.725 2.723 ( 2.518 3.623 -0.592) 4.451 3.120 ( 5.467 2.574 2.700) 6.619 3.383 ( 1.314 1.390 2.474) 3.127 3.484 ( 3.280 -2.802 1.017) 4.432 3.605 ( 1.761 -3.645 2.182) 4.599 3.675 ( 4.436 3.376 7.449) 9.304 3.737 ( 2.743 6.038 -8.045) 10.426 3.832 ( -0.513 -1.547 2.407) 2.906 3.889 ( 0.660 -0.083 -1.437) 1.584 3.981 ( -6.483 0.400 -2.789) 7.069 4.026 ( 4.269 -0.262 -0.711) 4.335 4.059 ( 2.409 -2.873 -1.886) 4.197 4.188 ( 0.812 -1.246 -0.962) 1.771 4.197 ( -1.192 -0.685 4.640) 4.839 4.331 ( 1.219 -1.657 -4.134) 4.618 4.378 ( -2.942 -2.683 -2.473) 4.687 4.486 ( -2.510 0.592 0.230) 2.589 4.525 ( -4.674 -4.135 -2.943) 6.900 4.601 ( 1.813 -1.959 5.370) 5.997 4.647 ( 1.829 -2.368 2.333) 3.795 4.717 ( 3.113 2.464 -2.376) 4.626 4.817 ( 2.504 -0.518 0.234) 2.568 4.908 ( -1.831 1.348 -1.954) 2.998 4.924 ( 0.384 1.612 1.742) 2.405 4.998 ( 0.025 -3.120 1.859) 3.632 5.194 ( -0.867 1.834 -0.440) 2.076 5.363 ( -1.028 6.638 0.306) 6.724 5.478 ( 0.766 -2.638 -0.438) 2.782 5.514 ( 1.883 -0.183 0.173) 1.900 5.748 ( -2.227 -0.180 -0.119) 2.238 5.909 ( 1.268 0.804 0.057) 1.502 8.133 ( 0.613 -4.857 0.622) 4.935 8.160 ( 1.086 -3.923 -0.273) 4.080 8.234 ( 0.262 3.358 -0.701) 3.440 8.261 ( 0.117 3.371 0.438) 3.402 8.920 ( -0.791 0.364 0.309) 0.925 8.999 ( 0.735 0.026 -0.443) 0.858 9.110 ( -2.006 1.696 0.806) 2.748 9.191 ( -0.498 0.681 -0.790) 1.156 13.172 ( -0.043 0.375 0.093) 0.389 13.179 ( 0.112 0.231 -0.075) 0.267 13.230 ( 0.067 0.196 -0.210) 0.295 13.246 ( 0.136 -0.007 0.223) 0.261 13.373 ( -0.592 0.043 -0.643) 0.875 13.417 ( 0.759 0.600 1.404) 1.705 13.512 ( -0.793 -0.636 -1.941) 2.191 13.553 ( 0.824 0.000 1.185) 1.443 23.743 ( -0.586 -1.757 0.534) 1.928 23.868 ( 1.757 -0.124 -1.107) 2.080 24.206 ( -1.468 -2.618 1.464) 3.339 24.341 ( 1.088 -0.691 -1.047) 1.660 25.766 ( -2.766 1.998 -0.518) 3.451 25.932 ( -0.520 2.425 2.931) 3.840 26.133 ( 0.663 -0.022 -3.574) 3.635 26.190 ( 0.631 -0.207 1.317) 1.475 ======================= Grid point 133 (61/70) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -11.223 -0.000 5.854) 12.658 2.177 ( -10.986 -0.000 2.664) 11.305 2.240 ( -0.059 -0.000 -10.321) 10.321 2.264 ( -11.445 -0.000 -6.607) 13.216 2.342 ( -6.373 -0.000 6.831) 9.342 2.430 ( 2.445 0.000 1.510) 2.874 2.440 ( 2.771 0.000 0.601) 2.836 2.482 ( -4.398 -0.000 -5.636) 7.149 2.678 ( -6.051 -0.000 1.533) 6.243 2.806 ( -5.848 -0.000 8.707) 10.488 2.901 ( 6.364 0.000 -2.443) 6.817 2.939 ( 2.802 0.000 -0.160) 2.807 2.962 ( 0.855 0.000 1.308) 1.562 3.052 ( -0.861 -0.000 -5.351) 5.419 3.410 ( -0.047 -0.000 2.014) 2.015 3.491 ( 3.678 0.000 0.897) 3.786 3.571 ( -18.747 -0.000 -5.495) 19.536 3.636 ( 8.767 0.000 7.597) 11.601 3.774 ( -3.731 -0.000 -4.409) 5.776 3.894 ( -3.681 -0.000 -0.595) 3.729 3.906 ( -1.391 -0.000 3.990) 4.226 3.979 ( 1.113 0.000 -0.702) 1.316 4.008 ( 2.499 0.000 -1.458) 2.893 4.127 ( 7.282 0.000 -4.414) 8.515 4.215 ( -0.918 -0.000 3.810) 3.920 4.228 ( -3.007 -0.000 -0.867) 3.130 4.360 ( 3.156 0.000 0.763) 3.247 4.377 ( 2.959 0.000 -1.219) 3.200 4.416 ( 0.462 0.000 4.221) 4.246 4.482 ( -3.195 -0.000 -7.384) 8.046 4.578 ( 0.276 0.000 1.316) 1.345 4.595 ( -1.174 -0.000 -0.367) 1.229 4.738 ( -5.023 -0.000 5.376) 7.358 4.833 ( -10.448 -0.000 -3.809) 11.121 4.863 ( 11.965 0.000 12.833) 17.546 5.155 ( -2.177 -0.000 3.224) 3.890 5.203 ( 9.433 0.000 -15.085) 17.791 5.277 ( -3.260 -0.000 -3.663) 4.903 5.696 ( -3.165 -0.000 -1.467) 3.488 5.847 ( 12.264 0.000 6.504) 13.882 5.875 ( -7.415 -0.000 1.961) 7.670 6.081 ( 2.787 0.000 -2.468) 3.723 7.879 ( 0.390 0.000 1.010) 1.082 7.898 ( 0.788 0.000 -0.752) 1.089 8.384 ( -0.018 -0.000 0.251) 0.252 8.404 ( 1.019 0.000 -0.404) 1.096 9.027 ( 0.040 0.000 2.182) 2.183 9.060 ( -0.716 -0.000 -2.650) 2.745 9.239 ( -0.343 -0.000 2.706) 2.728 9.277 ( -0.995 -0.000 -2.107) 2.330 13.213 ( 0.155 0.000 0.363) 0.395 13.219 ( 0.161 0.000 -0.464) 0.492 13.258 ( -0.337 -0.000 -0.409) 0.530 13.259 ( 0.376 0.000 0.515) 0.638 13.417 ( -1.391 -0.000 -0.957) 1.689 13.427 ( 1.119 0.000 1.218) 1.653 13.519 ( -0.820 -0.000 -1.307) 1.542 13.528 ( 1.762 0.000 1.080) 2.066 23.653 ( 0.290 0.000 2.484) 2.501 23.726 ( 1.409 0.000 -4.214) 4.443 24.002 ( -2.393 -0.000 5.118) 5.650 24.126 ( 0.731 0.000 -3.587) 3.661 26.076 ( 1.351 0.000 4.909) 5.092 26.081 ( -3.616 -0.000 -3.513) 5.042 26.193 ( -2.136 -0.000 0.615) 2.222 26.258 ( 1.016 0.000 -1.653) 1.940 ======================= Grid point 134 (62/70) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -14.613 -4.586 5.128) 16.151 2.059 ( -15.533 -4.190 -1.294) 16.140 2.112 ( -13.232 -0.591 -4.807) 14.091 2.204 ( -9.783 -3.680 -7.264) 12.729 2.258 ( -10.110 -0.970 5.754) 11.673 2.409 ( -0.316 2.162 0.748) 2.310 2.455 ( -1.917 -1.015 -0.520) 2.231 2.496 ( -1.386 -3.192 -3.149) 4.693 2.599 ( -6.064 1.666 -0.857) 6.347 2.732 ( -10.339 0.692 9.354) 13.960 2.845 ( 2.647 7.915 -6.605) 10.643 2.949 ( -2.873 0.860 1.277) 3.259 3.015 ( 4.374 -0.480 3.728) 5.768 3.107 ( -1.744 -5.709 -2.095) 6.327 3.338 ( -13.533 -0.619 1.303) 13.610 3.472 ( -1.608 -4.788 2.309) 5.554 3.514 ( 2.984 0.237 -0.613) 3.056 3.735 ( 0.644 -1.140 2.967) 3.243 3.749 ( 4.880 1.362 -5.068) 7.167 3.862 ( -2.152 -1.859 0.832) 2.963 3.880 ( -0.065 2.072 2.877) 3.547 3.996 ( 0.752 0.043 1.854) 2.001 4.055 ( 1.827 -0.578 -0.069) 1.918 4.170 ( 0.883 -2.221 -2.830) 3.704 4.206 ( 2.735 0.566 1.118) 3.009 4.238 ( 0.813 -0.685 2.399) 2.624 4.327 ( -6.397 -0.167 -6.612) 9.202 4.389 ( -9.664 -3.394 -9.466) 13.947 4.451 ( 2.024 -1.926 -3.732) 4.662 4.475 ( 3.797 -1.282 2.927) 4.963 4.594 ( 1.694 -1.820 1.378) 2.843 4.629 ( 1.650 -4.114 1.412) 4.652 4.697 ( 0.524 1.708 -0.017) 1.787 4.778 ( -2.179 -0.248 8.109) 8.400 5.004 ( 6.069 0.194 11.980) 13.431 5.170 ( 0.370 -2.600 0.323) 2.646 5.214 ( -1.304 1.550 -5.225) 5.604 5.236 ( 2.460 1.488 -10.052) 10.455 5.653 ( 1.154 3.501 -1.806) 4.105 5.788 ( -5.343 1.352 -1.444) 5.697 5.919 ( 8.582 6.890 4.309) 11.819 6.074 ( 1.435 3.386 0.534) 3.716 7.910 ( 0.877 -2.441 1.018) 2.786 7.933 ( 1.750 -2.687 -0.721) 3.286 8.373 ( 0.350 1.439 0.161) 1.489 8.403 ( 1.298 1.526 -0.324) 2.030 9.011 ( -0.690 2.056 1.972) 2.931 9.041 ( -0.411 0.686 -2.022) 2.174 9.226 ( -1.333 1.270 2.268) 2.921 9.250 ( -1.611 0.727 -2.001) 2.670 13.209 ( 0.095 0.672 0.471) 0.826 13.216 ( 0.349 0.623 -0.507) 0.876 13.252 ( -0.093 0.187 -0.395) 0.447 13.260 ( 0.279 0.421 0.521) 0.725 13.398 ( -1.167 0.258 -0.687) 1.378 13.439 ( 1.174 0.448 1.518) 1.970 13.508 ( -0.649 -0.080 -1.684) 1.806 13.548 ( 1.785 0.230 0.847) 1.989 23.661 ( 0.083 -0.032 1.750) 1.752 23.762 ( 2.945 -2.549 -3.607) 5.309 24.011 ( -2.742 -2.935 4.674) 6.163 24.155 ( 0.347 -3.679 -3.068) 4.803 26.000 ( -4.050 3.200 -1.174) 5.293 26.103 ( -1.375 -0.636 3.102) 3.452 26.146 ( -0.464 2.874 0.609) 2.974 26.246 ( 0.165 1.401 -2.083) 2.516 ======================= Grid point 135 (63/70) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -14.482 -6.044 2.403) 15.876 1.963 ( -11.749 -2.737 -5.297) 13.175 2.001 ( -18.099 -7.334 -2.388) 19.674 2.077 ( -13.169 1.403 5.049) 14.173 2.245 ( -7.076 -6.905 -6.515) 11.841 2.358 ( -2.592 4.123 4.681) 6.755 2.405 ( -3.465 4.646 2.559) 6.335 2.486 ( -7.292 -0.673 -7.443) 10.442 2.492 ( -4.026 0.709 0.821) 4.169 2.633 ( -7.847 1.304 7.922) 11.227 2.701 ( 0.722 9.205 -5.293) 10.642 2.872 ( -3.626 4.045 -0.578) 5.463 2.975 ( -13.949 -5.549 4.844) 15.775 3.210 ( -0.663 -8.553 2.180) 8.851 3.361 ( 2.766 -4.586 2.804) 6.046 3.490 ( -2.312 -0.965 0.515) 2.558 3.612 ( 2.485 -5.846 -5.262) 8.249 3.741 ( -2.847 -3.796 -0.909) 4.831 3.777 ( 2.928 1.452 1.866) 3.764 3.868 ( 2.146 0.989 -2.227) 3.247 3.926 ( 0.959 -4.728 4.267) 6.441 4.001 ( -2.657 -0.626 0.037) 2.730 4.030 ( 0.798 2.523 1.829) 3.217 4.151 ( -8.126 0.203 -4.908) 9.495 4.247 ( -6.657 -3.465 -5.075) 9.060 4.267 ( 4.321 -2.960 -1.962) 5.593 4.284 ( 4.827 -0.349 0.987) 4.940 4.418 ( 3.639 -2.244 -1.729) 4.612 4.451 ( 1.334 0.912 -2.126) 2.671 4.516 ( -1.476 -1.661 -1.115) 2.486 4.665 ( 3.827 0.146 4.043) 5.569 4.701 ( 2.993 -1.197 3.020) 4.417 4.782 ( 3.703 -7.488 2.805) 8.812 4.803 ( 0.980 -0.956 5.181) 5.359 5.003 ( -5.884 0.761 2.063) 6.281 5.143 ( 4.361 7.693 -13.813) 16.401 5.218 ( 2.175 0.424 4.601) 5.107 5.270 ( 1.510 -6.536 -0.865) 6.764 5.582 ( -1.822 4.459 3.738) 6.097 5.728 ( 0.912 1.956 -5.283) 5.707 5.826 ( 3.035 12.164 2.085) 12.709 6.006 ( -0.624 4.610 1.391) 4.855 7.980 ( 1.244 -3.972 0.799) 4.238 8.016 ( 2.467 -4.088 -0.521) 4.803 8.345 ( 0.600 2.596 -0.123) 2.667 8.378 ( 1.141 2.966 0.073) 3.179 8.962 ( -1.278 2.389 1.289) 3.000 9.019 ( -0.194 0.943 -1.490) 1.774 9.178 ( -2.496 2.155 1.276) 3.536 9.216 ( -1.606 0.717 -0.965) 2.006 13.196 ( -0.131 0.892 0.350) 0.967 13.204 ( 0.345 1.011 -0.426) 1.150 13.247 ( 0.232 0.512 0.005) 0.562 13.256 ( 0.198 0.463 0.194) 0.539 13.381 ( -0.846 0.325 -0.464) 1.019 13.444 ( 1.033 0.847 1.577) 2.066 13.500 ( -0.501 -0.171 -1.806) 1.882 13.563 ( 1.548 0.447 0.672) 1.746 23.675 ( 0.085 -1.369 0.990) 1.691 23.836 ( 3.476 -2.100 -2.492) 4.765 24.062 ( -2.011 -4.898 3.196) 6.184 24.234 ( 0.712 -5.181 -2.004) 5.600 25.887 ( -4.102 4.247 -0.132) 5.906 26.042 ( -3.835 2.839 1.253) 4.933 26.140 ( 1.797 0.881 -0.146) 2.007 26.218 ( 0.527 1.461 -0.543) 1.646 ======================= Grid point 136 (64/70) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -12.714 -7.469 1.090) 14.786 1.883 ( -14.438 -5.846 -2.632) 15.798 1.912 ( -12.158 -6.416 -6.332) 15.135 1.977 ( -5.430 -0.785 4.729) 7.243 2.202 ( -4.353 5.841 1.569) 7.451 2.284 ( -2.079 1.284 -0.179) 2.450 2.293 ( -1.651 2.329 4.871) 5.646 2.391 ( -6.660 -0.148 -6.857) 9.560 2.444 ( -2.486 2.792 2.025) 4.252 2.543 ( -1.173 5.568 -2.355) 6.158 2.550 ( -2.329 3.067 1.713) 4.215 2.774 ( -2.898 2.387 -1.601) 4.081 3.027 ( -10.690 -12.960 7.123) 18.247 3.341 ( -0.445 -5.977 1.773) 6.251 3.454 ( -0.248 -2.399 3.152) 3.969 3.530 ( 1.203 -5.993 -0.480) 6.132 3.659 ( -7.311 -3.950 -8.260) 11.717 3.775 ( 0.855 1.040 3.762) 3.996 3.806 ( -3.953 -6.240 -3.547) 8.194 3.843 ( -0.314 -0.515 -4.618) 4.657 3.967 ( 2.021 2.514 0.485) 3.262 4.034 ( 0.640 -3.175 4.582) 5.611 4.058 ( 2.696 -0.944 1.866) 3.412 4.102 ( -2.290 -3.468 -2.607) 4.906 4.242 ( -2.415 -2.938 -1.370) 4.043 4.288 ( 2.585 4.408 2.437) 5.661 4.365 ( 5.933 -1.623 -2.885) 6.794 4.437 ( 0.992 0.625 -1.592) 1.977 4.460 ( -1.678 -0.699 -2.131) 2.801 4.569 ( 2.646 -3.544 1.672) 4.728 4.693 ( 2.138 -0.016 5.968) 6.339 4.785 ( 3.190 -0.581 0.401) 3.267 4.830 ( -0.180 -1.431 1.034) 1.775 4.917 ( -2.838 2.249 -4.105) 5.474 4.928 ( 2.234 -4.283 2.884) 5.626 5.011 ( 0.685 7.251 -5.985) 9.426 5.234 ( 1.823 2.041 4.219) 5.029 5.406 ( 3.101 -5.182 -2.990) 6.738 5.508 ( -1.121 3.602 4.000) 5.499 5.585 ( -1.475 12.224 1.042) 12.357 5.729 ( 0.222 0.459 -3.088) 3.130 5.943 ( -0.329 2.140 0.523) 2.227 8.067 ( 1.164 -4.299 0.651) 4.501 8.108 ( 1.944 -3.876 -0.476) 4.362 8.297 ( 0.389 3.573 -0.572) 3.640 8.328 ( 0.407 4.030 0.722) 4.114 8.924 ( -0.597 0.938 0.342) 1.163 9.005 ( 0.277 0.205 -0.806) 0.877 9.116 ( -2.627 1.784 0.762) 3.266 9.189 ( -1.152 0.331 -0.468) 1.287 13.181 ( -0.269 0.709 0.167) 0.776 13.190 ( 0.291 0.838 -0.268) 0.927 13.239 ( 0.076 0.647 0.087) 0.657 13.252 ( 0.306 0.351 0.092) 0.475 13.368 ( -0.453 0.193 -0.308) 0.581 13.442 ( 0.745 0.915 1.337) 1.783 13.494 ( -0.428 -0.193 -1.540) 1.610 13.570 ( 1.082 0.537 0.506) 1.310 23.711 ( 0.567 -2.003 0.532) 2.149 23.882 ( 1.634 -0.390 -1.147) 2.034 24.138 ( -0.284 -4.491 1.266) 4.675 24.316 ( 0.778 -3.364 -0.903) 3.569 25.782 ( -2.623 3.245 0.027) 4.173 25.968 ( -1.694 2.384 2.011) 3.550 26.127 ( -1.055 0.471 -3.155) 3.360 26.215 ( 2.191 1.036 1.334) 2.767 ======================= Grid point 143 (65/70) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -18.654 -0.000 7.106) 19.961 1.803 ( -21.464 -0.000 -3.162) 21.695 1.949 ( -12.736 -0.000 -9.662) 15.986 2.007 ( -13.897 -0.000 -10.474) 17.402 2.137 ( -12.797 -0.000 11.601) 17.273 2.379 ( -6.031 -0.000 -2.338) 6.468 2.433 ( -2.618 -0.000 -2.551) 3.655 2.434 ( -3.393 -0.000 0.692) 3.463 2.558 ( -5.675 -0.000 2.014) 6.022 2.606 ( -15.459 -0.000 10.289) 18.570 2.888 ( -8.878 -0.000 -1.018) 8.936 2.907 ( -5.707 -0.000 -5.400) 7.857 2.991 ( -7.326 -0.000 -3.350) 8.055 3.106 ( 5.114 0.000 1.923) 5.464 3.196 ( -4.013 -0.000 10.753) 11.478 3.451 ( 2.773 0.000 1.552) 3.178 3.544 ( 2.256 0.000 -1.252) 2.580 3.689 ( -8.075 -0.000 -0.174) 8.077 3.797 ( 5.545 0.000 -5.784) 8.013 3.874 ( 0.958 0.000 4.673) 4.770 3.926 ( 3.881 0.000 2.139) 4.431 3.950 ( -8.538 -0.000 -6.285) 10.602 4.074 ( -11.172 -0.000 -14.243) 18.102 4.128 ( 6.204 0.000 2.923) 6.858 4.148 ( 2.542 0.000 0.013) 2.542 4.216 ( 0.207 0.000 3.729) 3.735 4.313 ( -3.253 -0.000 -3.841) 5.034 4.345 ( 4.326 0.000 3.509) 5.571 4.433 ( 2.637 0.000 -1.756) 3.169 4.492 ( 1.253 0.000 2.407) 2.714 4.614 ( 2.633 0.000 -0.642) 2.710 4.622 ( 3.905 0.000 2.167) 4.466 4.733 ( 2.856 0.000 -0.399) 2.884 4.777 ( -0.641 -0.000 7.488) 7.515 5.003 ( -9.353 -0.000 2.262) 9.623 5.145 ( 0.585 0.000 0.709) 0.919 5.227 ( 5.025 0.000 7.553) 9.072 5.307 ( 6.287 0.000 -16.161) 17.341 5.670 ( -6.856 -0.000 8.245) 10.723 5.771 ( 5.359 0.000 -15.247) 16.161 6.040 ( 1.531 0.000 -0.246) 1.551 6.155 ( 4.662 0.000 8.026) 9.281 7.903 ( 1.158 0.000 1.303) 1.743 7.926 ( 2.009 0.000 -1.025) 2.255 8.391 ( 0.573 0.000 0.031) 0.574 8.434 ( 1.797 0.000 -0.130) 1.802 9.033 ( -0.597 -0.000 -2.227) 2.305 9.035 ( -0.324 -0.000 2.901) 2.919 9.225 ( -2.020 -0.000 1.930) 2.794 9.229 ( -2.313 -0.000 -2.164) 3.168 13.216 ( -0.191 -0.000 0.374) 0.420 13.225 ( 0.496 0.000 -0.428) 0.656 13.254 ( 0.255 0.000 -0.225) 0.340 13.268 ( 0.121 0.000 0.493) 0.507 13.387 ( -0.972 -0.000 -0.360) 1.037 13.461 ( 1.199 0.000 1.641) 2.032 13.497 ( -0.418 -0.000 -1.740) 1.790 13.572 ( 1.858 0.000 0.435) 1.909 23.685 ( 1.569 0.000 2.344) 2.821 23.748 ( 2.453 0.000 -4.237) 4.896 23.965 ( -2.928 -0.000 4.195) 5.116 24.111 ( -0.615 -0.000 -2.622) 2.693 25.974 ( -4.478 -0.000 -3.675) 5.792 26.080 ( -4.007 -0.000 4.240) 5.834 26.177 ( 1.424 0.000 3.323) 3.615 26.249 ( -0.653 -0.000 -3.097) 3.165 ======================= Grid point 144 (66/70) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -20.238 -6.185 5.232) 21.799 1.602 ( -24.067 -7.259 -4.020) 25.457 1.780 ( -12.922 -1.231 -12.349) 17.917 1.921 ( -11.866 -8.852 -8.161) 16.905 2.042 ( -9.324 -0.552 12.146) 15.322 2.320 ( -14.790 -7.154 3.442) 16.786 2.375 ( -6.816 0.201 -4.698) 8.280 2.390 ( -5.910 -0.146 0.417) 5.926 2.462 ( -5.113 3.163 4.596) 7.567 2.495 ( -10.099 -1.119 8.620) 13.324 2.745 ( -15.715 -1.328 4.196) 16.319 2.798 ( -6.121 2.741 -5.279) 8.535 2.873 ( -7.204 3.427 -3.813) 8.842 3.143 ( 3.518 -0.804 3.416) 4.969 3.289 ( 1.009 -5.750 6.150) 8.480 3.473 ( -6.122 0.979 -3.377) 7.060 3.554 ( 1.693 -1.286 -4.198) 4.706 3.620 ( -6.435 -2.854 -5.157) 8.727 3.754 ( -10.102 -1.925 -4.349) 11.166 3.837 ( 2.597 0.223 -2.687) 3.743 3.885 ( -2.012 -1.184 1.286) 2.665 4.018 ( 5.185 -2.271 0.690) 5.702 4.053 ( 2.225 -0.269 -1.085) 2.490 4.128 ( 4.470 3.453 4.282) 7.087 4.202 ( -1.800 2.555 -0.805) 3.227 4.263 ( 4.263 -2.675 1.899) 5.379 4.315 ( 4.518 -4.923 -1.190) 6.787 4.407 ( 4.713 -0.468 5.344) 7.141 4.481 ( -2.212 0.409 -1.809) 2.886 4.513 ( 4.944 -1.289 -4.959) 7.120 4.691 ( 2.303 -6.130 2.270) 6.931 4.698 ( 4.699 -2.498 2.961) 6.090 4.739 ( 0.775 1.879 2.948) 3.581 4.807 ( 0.492 -0.670 2.936) 3.052 4.893 ( -8.879 -1.934 -2.792) 9.506 5.191 ( 1.832 -3.552 -1.212) 4.177 5.276 ( 3.667 5.021 -13.282) 14.665 5.297 ( 4.368 1.232 7.129) 8.451 5.582 ( -8.715 1.175 6.833) 11.136 5.791 ( 7.841 2.778 -14.027) 16.309 6.007 ( -1.018 3.549 0.433) 3.718 6.130 ( 0.555 9.756 8.729) 13.103 7.941 ( 1.383 -2.465 0.976) 2.990 7.978 ( 2.440 -3.300 -0.776) 4.177 8.386 ( 0.828 1.448 -0.216) 1.682 8.439 ( 1.888 1.931 0.253) 2.713 9.000 ( -0.790 2.762 1.161) 3.099 9.026 ( -0.500 0.797 -0.469) 1.051 9.182 ( -2.969 1.535 -0.112) 3.344 9.200 ( -2.401 0.221 -0.093) 2.413 13.207 ( -0.416 0.622 0.189) 0.772 13.223 ( 0.432 0.727 -0.332) 0.909 13.257 ( 0.563 0.147 0.140) 0.599 13.265 ( -0.104 0.414 0.271) 0.506 13.376 ( -0.649 0.188 -0.037) 0.676 13.469 ( 0.546 0.471 0.179) 0.743 13.493 ( 0.267 0.080 -0.259) 0.381 13.589 ( 1.659 0.403 0.120) 1.712 23.681 ( 1.185 1.253 0.946) 1.966 23.823 ( 3.701 -3.626 -2.712) 5.848 23.971 ( -2.261 -3.543 2.864) 5.086 24.142 ( -0.383 -4.890 -1.595) 5.158 25.897 ( -4.269 2.271 -2.096) 5.270 26.029 ( -4.363 0.917 1.820) 4.815 26.176 ( -0.137 2.534 0.213) 2.547 26.246 ( 1.893 -0.227 1.027) 2.166 ======================= Grid point 145 (67/70) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -21.134 -12.028 -5.436) 24.917 1.479 ( -20.679 -9.032 2.922) 22.753 1.682 ( -10.664 -6.385 -11.250) 16.765 1.961 ( -3.970 -4.565 7.653) 9.756 2.043 ( -5.510 -8.365 -5.330) 11.346 2.267 ( -7.908 -0.571 -2.762) 8.396 2.293 ( -6.306 1.804 8.270) 10.556 2.363 ( -9.772 -8.879 2.739) 13.484 2.393 ( -0.444 2.383 5.183) 5.722 2.479 ( -7.414 -5.714 5.456) 10.834 2.621 ( -8.888 1.192 1.589) 9.107 2.672 ( -9.383 -0.358 3.763) 10.115 2.755 ( -5.410 -0.085 -6.557) 8.501 3.214 ( -3.283 -5.403 -2.227) 6.704 3.334 ( -15.559 -5.696 -11.540) 20.191 3.415 ( -0.694 -7.338 2.320) 7.728 3.484 ( -5.769 0.755 -2.614) 6.379 3.687 ( 1.917 -4.589 2.178) 5.430 3.766 ( 1.372 -1.450 -1.858) 2.727 3.841 ( 0.793 0.573 -2.821) 2.985 3.939 ( -1.054 -5.985 4.151) 7.360 4.047 ( -0.872 1.120 -2.169) 2.592 4.071 ( 4.028 2.792 2.206) 5.375 4.148 ( 5.152 1.954 6.893) 8.824 4.200 ( 3.188 -1.693 0.029) 3.610 4.362 ( 2.356 -3.063 0.319) 3.877 4.386 ( 1.048 2.824 -0.080) 3.013 4.430 ( -0.270 -0.095 -2.986) 3.000 4.513 ( 4.900 -1.331 1.701) 5.355 4.558 ( 6.603 -0.979 -4.385) 7.987 4.715 ( -1.395 0.982 4.230) 4.561 4.752 ( -6.025 -1.085 -3.532) 7.068 4.794 ( 3.052 -3.060 2.257) 4.875 4.856 ( 2.331 -6.838 0.807) 7.270 4.917 ( 1.585 -0.658 -0.413) 1.765 5.140 ( 0.489 6.677 -7.952) 10.395 5.302 ( -1.261 2.108 7.222) 7.628 5.341 ( 6.762 -5.782 -3.890) 9.710 5.503 ( -5.178 -0.179 4.571) 6.909 5.780 ( 4.218 4.036 -7.417) 9.439 5.847 ( -2.125 17.054 3.856) 17.613 5.967 ( -3.352 2.922 2.110) 4.922 8.014 ( 1.455 -3.808 0.560) 4.114 8.067 ( 2.143 -3.719 -0.515) 4.323 8.358 ( 0.786 2.936 -0.554) 3.089 8.407 ( 1.040 3.970 0.980) 4.219 8.944 ( -0.629 2.223 0.759) 2.432 9.009 ( 0.005 0.374 -1.013) 1.080 9.116 ( -3.263 1.887 0.518) 3.805 9.174 ( -1.840 -0.079 -0.325) 1.870 13.190 ( -0.415 0.808 0.112) 0.915 13.210 ( 0.346 1.092 -0.253) 1.173 13.251 ( -0.281 0.774 -0.003) 0.823 13.263 ( 0.577 0.267 0.309) 0.707 13.368 ( -0.254 0.230 0.175) 0.385 13.461 ( -0.100 0.529 -1.209) 1.324 13.496 ( 0.716 0.490 1.204) 1.484 13.595 ( 1.209 0.771 -0.137) 1.440 23.696 ( 1.550 -1.075 0.454) 1.940 23.881 ( 0.457 -0.956 -0.109) 1.065 24.060 ( 1.929 -5.836 -0.720) 6.188 24.241 ( 0.495 -5.961 -0.224) 5.986 25.808 ( -2.705 2.894 -0.145) 3.964 25.982 ( -1.625 0.850 1.628) 2.452 26.114 ( -2.679 1.800 -3.451) 4.725 26.276 ( 3.624 1.576 2.350) 4.597 ======================= Grid point 153 (68/70) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -23.133 -0.000 9.671) 25.073 1.235 ( -27.435 -0.000 -6.553) 28.207 1.617 ( -15.683 -0.000 -12.222) 19.883 1.630 ( -9.657 -0.000 -17.545) 20.027 1.973 ( -31.628 -0.000 13.515) 34.394 2.008 ( -4.630 -0.000 17.975) 18.562 2.303 ( -6.254 -0.000 -1.767) 6.498 2.333 ( -4.922 -0.000 -0.733) 4.976 2.421 ( -6.764 -0.000 8.868) 11.153 2.440 ( -5.545 -0.000 1.022) 5.638 2.563 ( -13.004 -0.000 2.246) 13.197 2.712 ( -9.060 -0.000 -5.668) 10.687 2.799 ( -9.804 -0.000 -5.359) 11.173 3.163 ( -3.205 -0.000 1.817) 3.684 3.229 ( -23.573 -0.000 -21.646) 32.004 3.307 ( 5.575 0.000 7.189) 9.097 3.574 ( 1.428 0.000 2.095) 2.536 3.638 ( 6.356 0.000 -2.032) 6.673 3.641 ( -1.251 -0.000 2.557) 2.846 3.832 ( -4.790 -0.000 0.618) 4.830 3.861 ( 0.795 0.000 -0.526) 0.953 4.042 ( 3.695 0.000 0.493) 3.728 4.107 ( 5.654 0.000 -0.092) 5.655 4.224 ( 1.282 0.000 -0.121) 1.288 4.261 ( 6.231 0.000 0.534) 6.253 4.265 ( 3.829 0.000 1.598) 4.149 4.341 ( 6.776 0.000 4.301) 8.026 4.444 ( 1.436 0.000 2.074) 2.523 4.466 ( -3.986 -0.000 -2.240) 4.572 4.527 ( 7.890 0.000 0.730) 7.924 4.648 ( 0.482 0.000 -1.591) 1.663 4.726 ( -1.170 -0.000 2.355) 2.629 4.754 ( -3.687 -0.000 -5.724) 6.808 4.768 ( -0.192 -0.000 2.218) 2.226 4.847 ( 4.651 0.000 1.340) 4.840 5.188 ( 3.208 0.000 -1.446) 3.519 5.312 ( -0.026 -0.000 -9.070) 9.070 5.361 ( 2.093 0.000 4.603) 5.057 5.497 ( -9.471 -0.000 2.006) 9.681 5.879 ( 8.488 0.000 -15.156) 17.371 6.004 ( -3.871 -0.000 1.891) 4.308 6.249 ( -2.566 -0.000 12.313) 12.578 7.937 ( 1.220 0.000 1.381) 1.842 7.966 ( 1.752 0.000 -1.138) 2.089 8.410 ( 1.368 0.000 -0.376) 1.419 8.480 ( 2.365 0.000 0.369) 2.394 9.015 ( -0.108 -0.000 -1.716) 1.720 9.042 ( -0.256 -0.000 3.101) 3.112 9.161 ( -2.903 -0.000 -1.720) 3.374 9.169 ( -3.625 -0.000 1.127) 3.796 13.208 ( -0.540 -0.000 0.086) 0.547 13.233 ( 0.297 0.000 -0.477) 0.562 13.266 ( -0.486 -0.000 0.418) 0.641 13.266 ( 0.651 0.000 0.393) 0.761 13.373 ( -0.352 -0.000 0.417) 0.546 13.469 ( -0.276 -0.000 -2.411) 2.427 13.508 ( 1.158 0.000 2.406) 2.670 13.611 ( 1.513 0.000 -0.312) 1.545 23.742 ( 2.681 0.000 1.876) 3.272 23.793 ( 3.340 0.000 -3.746) 5.018 23.920 ( -2.402 -0.000 2.354) 3.363 24.079 ( -1.252 -0.000 -1.200) 1.734 25.862 ( -3.655 -0.000 -3.361) 4.965 25.988 ( -4.759 -0.000 1.426) 4.968 26.207 ( -1.174 -0.000 -5.314) 5.442 26.273 ( 4.734 0.000 8.871) 10.055 ======================= Grid point 154 (69/70) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -25.760 -8.748 -4.365) 27.552 1.092 ( -22.323 -9.844 9.980) 26.360 1.439 ( -11.388 -3.519 -16.255) 20.157 1.639 ( -7.259 -14.410 -15.769) 22.561 1.803 ( -28.851 -17.843 18.672) 38.723 2.027 ( -0.862 -0.356 15.800) 15.828 2.228 ( -4.453 0.485 -1.193) 4.635 2.262 ( -7.609 1.111 6.996) 10.396 2.369 ( -4.759 -1.977 1.861) 5.479 2.421 ( -1.691 -1.144 3.875) 4.380 2.486 ( -8.810 -3.722 1.475) 9.677 2.599 ( -8.744 -0.183 -4.811) 9.981 2.665 ( -9.645 0.648 -6.337) 11.559 2.905 ( -24.460 -4.456 -28.014) 37.455 3.177 ( -2.947 -1.916 6.667) 7.537 3.368 ( 3.907 0.520 5.073) 6.425 3.519 ( 0.267 4.402 1.708) 4.729 3.690 ( 5.761 -1.719 3.586) 7.000 3.742 ( -0.265 -1.222 -1.580) 2.015 3.838 ( 0.648 -2.265 -2.311) 3.300 3.850 ( -0.940 -3.121 2.277) 3.976 4.074 ( 1.259 0.205 0.878) 1.549 4.136 ( 0.126 2.948 2.944) 4.168 4.222 ( 4.598 0.318 -0.036) 4.609 4.288 ( 5.858 2.571 -0.099) 6.398 4.350 ( 0.180 -1.898 0.344) 1.938 4.375 ( -1.136 2.550 0.697) 2.877 4.444 ( 4.167 -3.002 -1.987) 5.507 4.511 ( 3.373 -3.663 2.879) 5.752 4.622 ( 5.298 0.608 -3.995) 6.663 4.658 ( -3.273 0.558 -6.441) 7.246 4.739 ( 0.286 -3.734 2.853) 4.708 4.759 ( 2.707 -3.146 0.482) 4.178 4.797 ( 2.862 -1.936 2.585) 4.315 4.930 ( 4.875 -1.789 -0.486) 5.216 5.197 ( -0.839 3.286 -5.821) 6.737 5.280 ( -1.622 -1.095 1.676) 2.577 5.368 ( 1.534 0.054 -0.157) 1.543 5.423 ( -5.855 -2.695 0.342) 6.454 5.889 ( 4.469 4.362 -8.794) 10.785 5.949 ( -3.620 0.963 1.237) 3.945 6.095 ( -8.618 13.333 10.849) 19.229 7.975 ( 1.206 -2.632 0.673) 2.973 8.021 ( 1.580 -3.953 -0.762) 4.325 8.411 ( 1.772 1.906 -0.648) 2.682 8.484 ( 1.802 2.847 0.955) 3.502 8.992 ( -0.469 3.572 1.096) 3.766 9.015 ( -0.242 0.847 -0.333) 0.941 9.109 ( -3.437 1.476 -0.063) 3.741 9.143 ( -2.599 -0.768 -0.304) 2.727 13.198 ( -0.427 0.521 0.083) 0.679 13.228 ( 0.120 0.634 -0.522) 0.830 13.257 ( -0.570 0.447 0.231) 0.760 13.273 ( 0.535 0.066 0.498) 0.734 13.370 ( -0.056 0.159 0.704) 0.724 13.457 ( -0.361 0.177 -2.657) 2.687 13.523 ( 1.101 0.551 2.775) 3.036 13.619 ( 1.103 0.580 -0.654) 1.408 23.721 ( 2.141 1.958 0.617) 2.966 23.863 ( -0.518 -0.887 0.441) 1.118 23.976 ( 3.402 -7.263 -2.229) 8.324 24.133 ( 0.281 -6.784 -0.262) 6.795 25.814 ( -1.858 1.171 -1.667) 2.757 25.956 ( -2.792 -1.475 1.369) 3.441 26.135 ( -1.184 4.282 -4.825) 6.559 26.356 ( 5.538 1.061 5.461) 7.850 ======================= Grid point 163 (70/70) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -22.455 -0.000 6.445) 23.362 0.770 ( -22.309 -0.000 15.318) 27.061 1.238 ( -13.877 -0.000 -13.278) 19.206 1.331 ( -30.665 -0.000 26.003) 40.206 1.398 ( -1.827 -0.000 -23.515) 23.586 2.070 ( 1.108 0.000 15.017) 15.058 2.180 ( -4.742 -0.000 3.619) 5.965 2.235 ( -5.707 -0.000 1.569) 5.918 2.276 ( -8.597 -0.000 9.236) 12.618 2.331 ( -4.231 -0.000 -1.781) 4.591 2.420 ( -1.533 -0.000 -3.583) 3.897 2.448 ( -13.828 -0.000 -14.583) 20.097 2.553 ( -8.645 -0.000 -5.519) 10.257 2.558 ( -14.841 -0.000 -22.168) 26.677 3.171 ( -0.401 -0.000 13.586) 13.592 3.448 ( 3.873 0.000 3.089) 4.953 3.593 ( 2.109 0.000 2.204) 3.050 3.726 ( -1.876 -0.000 0.375) 1.913 3.761 ( 4.875 0.000 -0.736) 4.930 3.781 ( 3.755 0.000 4.808) 6.100 3.842 ( -0.417 -0.000 -1.200) 1.270 4.083 ( -0.083 -0.000 -0.538) 0.545 4.196 ( 1.516 0.000 0.552) 1.613 4.225 ( -2.140 -0.000 -2.180) 3.055 4.250 ( -9.658 -0.000 -6.943) 11.894 4.365 ( 2.756 0.000 -4.260) 5.073 4.441 ( 9.326 0.000 3.898) 10.107 4.508 ( 4.037 0.000 3.447) 5.308 4.539 ( 9.105 0.000 5.181) 10.476 4.623 ( -0.918 -0.000 -2.679) 2.831 4.652 ( 2.265 0.000 -2.619) 3.463 4.712 ( 3.269 0.000 3.884) 5.077 4.786 ( 6.055 0.000 -4.612) 7.612 4.813 ( 1.643 0.000 3.383) 3.761 4.980 ( 7.771 0.000 -1.521) 7.918 5.223 ( -3.682 -0.000 -6.081) 7.109 5.255 ( 3.280 0.000 -1.895) 3.788 5.260 ( -11.696 -0.000 -2.196) 11.900 5.373 ( -2.875 -0.000 4.608) 5.431 5.893 ( -8.956 -0.000 5.162) 10.337 5.967 ( 5.220 0.000 -10.975) 12.153 6.115 ( -15.221 -0.000 14.455) 20.991 7.964 ( 0.574 0.000 1.007) 1.159 7.985 ( 0.477 0.000 -0.920) 1.037 8.454 ( 2.853 0.000 -0.541) 2.904 8.538 ( 2.551 0.000 0.104) 2.553 9.013 ( 0.540 0.000 -1.027) 1.160 9.051 ( -0.261 -0.000 1.475) 1.498 9.087 ( -3.689 -0.000 0.488) 3.721 9.092 ( -2.701 -0.000 -1.041) 2.894 13.198 ( -0.260 -0.000 0.059) 0.267 13.229 ( -0.369 -0.000 -1.044) 1.108 13.256 ( -0.487 -0.000 0.947) 1.065 13.278 ( 0.121 0.000 0.308) 0.331 13.374 ( 0.076 0.000 1.136) 1.138 13.449 ( -0.206 -0.000 -2.815) 2.822 13.546 ( 0.994 0.000 3.126) 3.280 13.633 ( 0.739 0.000 -1.029) 1.267 23.809 ( 2.373 0.000 0.554) 2.437 23.842 ( 1.058 0.000 -0.746) 1.295 23.907 ( 2.067 0.000 -1.165) 2.373 24.055 ( -0.562 -0.000 -0.581) 0.808 25.811 ( 0.781 0.000 -2.358) 2.484 25.905 ( -2.939 -0.000 0.652) 3.011 26.167 ( 0.974 0.000 -6.331) 6.406 26.460 ( 6.889 0.000 3.773) 7.854 =================== 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 3/16038 10.0 664.102 604.032 475.876 0.000 57.907 0.000 3/16038 20.0 119.432 114.216 86.346 0.000 11.536 0.000 3/16038 30.0 41.485 38.135 30.078 0.000 4.524 0.000 3/16038 40.0 21.624 19.121 15.714 0.000 2.510 0.000 3/16038 50.0 14.064 12.086 10.239 0.000 1.699 0.000 3/16038 60.0 10.346 8.715 7.549 0.000 1.282 0.000 3/16038 70.0 8.188 6.803 5.990 0.000 1.031 0.000 3/16038 80.0 6.789 5.587 4.979 0.000 0.863 0.000 3/16038 90.0 5.810 4.749 4.271 0.000 0.742 0.000 3/16038 100.0 5.087 4.138 3.747 0.000 0.652 0.000 3/16038 110.0 4.530 3.671 3.342 0.000 0.581 0.000 3/16038 120.0 4.086 3.303 3.019 0.000 0.524 0.000 3/16038 130.0 3.725 3.005 2.755 0.000 0.478 0.000 3/16038 140.0 3.424 2.758 2.535 0.000 0.439 0.000 3/16038 150.0 3.170 2.550 2.349 0.000 0.407 0.000 3/16038 160.0 2.952 2.373 2.189 0.000 0.378 0.000 3/16038 170.0 2.763 2.219 2.050 0.000 0.354 0.000 3/16038 180.0 2.598 2.085 1.928 0.000 0.333 0.000 3/16038 190.0 2.451 1.966 1.821 0.000 0.314 0.000 3/16038 200.0 2.321 1.861 1.724 0.000 0.297 0.000 3/16038 210.0 2.204 1.766 1.638 0.000 0.282 0.000 3/16038 220.0 2.099 1.681 1.560 0.000 0.268 0.000 3/16038 230.0 2.003 1.604 1.490 0.000 0.256 0.000 3/16038 240.0 1.916 1.534 1.425 0.000 0.245 0.000 3/16038 250.0 1.836 1.470 1.366 0.000 0.235 0.000 3/16038 260.0 1.763 1.411 1.312 0.000 0.225 0.000 3/16038 270.0 1.695 1.357 1.262 0.000 0.216 0.000 3/16038 280.0 1.633 1.307 1.216 0.000 0.208 0.000 3/16038 290.0 1.575 1.260 1.173 0.000 0.201 0.000 3/16038 300.0 1.521 1.217 1.133 0.000 0.194 0.000 3/16038 310.0 1.471 1.177 1.096 0.000 0.188 0.000 3/16038 320.0 1.424 1.139 1.061 0.000 0.182 0.000 3/16038 330.0 1.380 1.104 1.028 0.000 0.176 0.000 3/16038 340.0 1.338 1.071 0.997 0.000 0.171 0.000 3/16038 350.0 1.299 1.039 0.968 0.000 0.166 0.000 3/16038 360.0 1.262 1.010 0.941 0.000 0.161 0.000 3/16038 370.0 1.228 0.982 0.915 0.000 0.157 0.000 3/16038 380.0 1.195 0.956 0.891 0.000 0.152 0.000 3/16038 390.0 1.164 0.931 0.868 0.000 0.148 0.000 3/16038 400.0 1.134 0.907 0.846 0.000 0.145 0.000 3/16038 410.0 1.106 0.885 0.825 0.000 0.141 0.000 3/16038 420.0 1.080 0.864 0.805 0.000 0.138 0.000 3/16038 430.0 1.054 0.843 0.786 0.000 0.134 0.000 3/16038 440.0 1.030 0.824 0.768 0.000 0.131 0.000 3/16038 450.0 1.007 0.805 0.751 0.000 0.128 0.000 3/16038 460.0 0.985 0.788 0.735 0.000 0.125 0.000 3/16038 470.0 0.964 0.771 0.719 0.000 0.123 0.000 3/16038 480.0 0.943 0.755 0.704 0.000 0.120 0.000 3/16038 490.0 0.924 0.739 0.689 0.000 0.118 0.000 3/16038 500.0 0.905 0.724 0.676 0.000 0.115 0.000 3/16038 510.0 0.887 0.710 0.662 0.000 0.113 0.000 3/16038 520.0 0.870 0.696 0.649 0.000 0.111 0.000 3/16038 530.0 0.854 0.683 0.637 0.000 0.109 0.000 3/16038 540.0 0.838 0.670 0.625 0.000 0.107 0.000 3/16038 550.0 0.823 0.658 0.614 0.000 0.105 0.000 3/16038 560.0 0.808 0.646 0.603 0.000 0.103 0.000 3/16038 570.0 0.794 0.635 0.592 0.000 0.101 0.000 3/16038 580.0 0.780 0.624 0.582 0.000 0.099 0.000 3/16038 590.0 0.767 0.613 0.572 0.000 0.098 0.000 3/16038 600.0 0.754 0.603 0.563 0.000 0.096 0.000 3/16038 610.0 0.741 0.593 0.553 0.000 0.094 0.000 3/16038 620.0 0.729 0.584 0.545 0.000 0.093 0.000 3/16038 630.0 0.718 0.574 0.536 0.000 0.091 0.000 3/16038 640.0 0.706 0.565 0.527 0.000 0.090 0.000 3/16038 650.0 0.696 0.557 0.519 0.000 0.088 0.000 3/16038 660.0 0.685 0.548 0.511 0.000 0.087 0.000 3/16038 670.0 0.675 0.540 0.504 0.000 0.086 0.000 3/16038 680.0 0.665 0.532 0.496 0.000 0.085 0.000 3/16038 690.0 0.655 0.524 0.489 0.000 0.083 0.000 3/16038 700.0 0.646 0.517 0.482 0.000 0.082 0.000 3/16038 710.0 0.637 0.510 0.475 0.000 0.081 0.000 3/16038 720.0 0.628 0.502 0.469 0.000 0.080 0.000 3/16038 730.0 0.619 0.496 0.462 0.000 0.079 0.000 3/16038 740.0 0.611 0.489 0.456 0.000 0.078 0.000 3/16038 750.0 0.603 0.482 0.450 0.000 0.077 0.000 3/16038 760.0 0.595 0.476 0.444 0.000 0.076 0.000 3/16038 770.0 0.587 0.470 0.438 0.000 0.075 0.000 3/16038 780.0 0.579 0.464 0.433 0.000 0.074 0.000 3/16038 790.0 0.572 0.458 0.427 0.000 0.073 0.000 3/16038 800.0 0.565 0.452 0.422 0.000 0.072 0.000 3/16038 810.0 0.558 0.447 0.417 0.000 0.071 0.000 3/16038 820.0 0.551 0.441 0.412 0.000 0.070 0.000 3/16038 830.0 0.545 0.436 0.407 0.000 0.069 0.000 3/16038 840.0 0.538 0.431 0.402 0.000 0.068 0.000 3/16038 850.0 0.532 0.426 0.397 0.000 0.068 0.000 3/16038 860.0 0.526 0.421 0.393 0.000 0.067 0.000 3/16038 870.0 0.520 0.416 0.388 0.000 0.066 0.000 3/16038 880.0 0.514 0.411 0.384 0.000 0.065 0.000 3/16038 890.0 0.508 0.407 0.380 0.000 0.065 0.000 3/16038 900.0 0.502 0.402 0.375 0.000 0.064 0.000 3/16038 910.0 0.497 0.398 0.371 0.000 0.063 0.000 3/16038 920.0 0.491 0.393 0.367 0.000 0.062 0.000 3/16038 930.0 0.486 0.389 0.363 0.000 0.062 0.000 3/16038 940.0 0.481 0.385 0.359 0.000 0.061 0.000 3/16038 950.0 0.476 0.381 0.356 0.000 0.060 0.000 3/16038 960.0 0.471 0.377 0.352 0.000 0.060 0.000 3/16038 970.0 0.466 0.373 0.348 0.000 0.059 0.000 3/16038 980.0 0.461 0.369 0.345 0.000 0.059 0.000 3/16038 990.0 0.457 0.366 0.341 0.000 0.058 0.000 3/16038 1000.0 0.452 0.362 0.338 0.000 0.057 0.000 3/16038 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:44:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|