----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:58:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 6.630653270000000 Atomic positions (fractional): *1 Ca 0.01893653974643 0.75590438836603 0.75000000000000 40.078 2 Ca 0.26303215138040 0.01893653974643 0.25000000000000 40.078 *3 Ca 0.66666666666667 0.33333333333333 0.50452261201259 40.078 4 Ca 0.24409561163397 0.26303215138040 0.75000000000000 40.078 5 Ca 0.75590438836603 0.73696784861960 0.25000000000000 40.078 6 Ca 0.33333333333333 0.66666666666667 0.49547738798741 40.078 7 Ca 0.98106346025356 0.24409561163397 0.25000000000000 40.078 8 Ca 0.66666666666667 0.33333333333333 0.99547738798741 40.078 9 Ca 0.33333333333333 0.66666666666667 0.00452261201259 40.078 10 Ca 0.73696784861960 0.98106346025356 0.75000000000000 40.078 *11 P 0.58785307132792 0.62033869201048 0.75000000000000 30.974 12 P 0.03248562068257 0.41214692867208 0.75000000000000 30.974 13 P 0.37966130798951 0.96751437931743 0.75000000000000 30.974 14 P 0.41214692867208 0.37966130798951 0.25000000000000 30.974 15 P 0.62033869201048 0.03248562068257 0.25000000000000 30.974 16 P 0.96751437931743 0.58785307132792 0.25000000000000 30.974 *17 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 18 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 *19 O 0.50053129147655 0.14718039417952 0.75000000000000 15.999 *20 O 0.64529633975761 0.73080876815865 0.56250452599613 15.999 *21 O 0.53395228551034 0.13214137546770 0.25000000000000 15.999 22 O 0.49946870852345 0.85281960582048 0.25000000000000 15.999 23 O 0.35470366024239 0.26919123184135 0.06250452599613 15.999 24 O 0.85281960582048 0.35335089729703 0.75000000000000 15.999 25 O 0.91448757159896 0.64529633975761 0.06250452599613 15.999 26 O 0.26919123184135 0.91448757159896 0.56250452599613 15.999 27 O 0.91448757159896 0.64529633975761 0.43749547400387 15.999 28 O 0.13214137546770 0.59818908995737 0.75000000000000 15.999 29 O 0.26919123184135 0.91448757159896 0.93749547400387 15.999 30 O 0.59818908995737 0.46604771448966 0.25000000000000 15.999 31 O 0.40181091004263 0.53395228551034 0.75000000000000 15.999 32 O 0.08551242840104 0.35470366024239 0.93749547400387 15.999 33 O 0.86785862453230 0.40181091004263 0.25000000000000 15.999 34 O 0.35470366024239 0.26919123184135 0.43749547400387 15.999 35 O 0.73080876815865 0.08551242840104 0.06250452599613 15.999 36 O 0.14718039417952 0.64664910270297 0.25000000000000 15.999 37 O 0.64529633975761 0.73080876815865 0.93749547400387 15.999 38 O 0.08551242840104 0.35470366024239 0.56250452599613 15.999 39 O 0.73080876815865 0.08551242840104 0.43749547400387 15.999 40 O 0.46604771448966 0.86785862453230 0.75000000000000 15.999 41 O 0.35335089729703 0.50053129147655 0.25000000000000 15.999 42 O 0.64664910270297 0.49946870852345 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 6.630653270000000 Atomic positions (fractional): *1 Ca 0.01893653974643 0.75590438836603 0.75000000000000 40.078 > 1 2 Ca 0.26303215138040 0.01893653974643 0.25000000000000 40.078 > 2 *3 Ca 0.66666666666667 0.33333333333333 0.50452261201259 40.078 > 3 4 Ca 0.24409561163397 0.26303215138040 0.75000000000000 40.078 > 4 5 Ca 0.75590438836603 0.73696784861960 0.25000000000000 40.078 > 5 6 Ca 0.33333333333333 0.66666666666667 0.49547738798741 40.078 > 6 7 Ca 0.98106346025356 0.24409561163397 0.25000000000000 40.078 > 7 8 Ca 0.66666666666667 0.33333333333333 0.99547738798741 40.078 > 8 9 Ca 0.33333333333333 0.66666666666667 0.00452261201259 40.078 > 9 10 Ca 0.73696784861960 0.98106346025356 0.75000000000000 40.078 > 10 *11 P 0.58785307132792 0.62033869201048 0.75000000000000 30.974 > 11 12 P 0.03248562068257 0.41214692867208 0.75000000000000 30.974 > 12 13 P 0.37966130798951 0.96751437931743 0.75000000000000 30.974 > 13 14 P 0.41214692867208 0.37966130798951 0.25000000000000 30.974 > 14 15 P 0.62033869201048 0.03248562068257 0.25000000000000 30.974 > 15 16 P 0.96751437931743 0.58785307132792 0.25000000000000 30.974 > 16 *17 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 17 18 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 18 *19 O 0.50053129147655 0.14718039417952 0.75000000000000 15.999 > 19 *20 O 0.64529633975761 0.73080876815865 0.56250452599613 15.999 > 20 *21 O 0.53395228551034 0.13214137546770 0.25000000000000 15.999 > 21 22 O 0.49946870852345 0.85281960582048 0.25000000000000 15.999 > 22 23 O 0.35470366024239 0.26919123184135 0.06250452599613 15.999 > 23 24 O 0.85281960582048 0.35335089729703 0.75000000000000 15.999 > 24 25 O 0.91448757159896 0.64529633975761 0.06250452599613 15.999 > 25 26 O 0.26919123184135 0.91448757159896 0.56250452599613 15.999 > 26 27 O 0.91448757159896 0.64529633975761 0.43749547400387 15.999 > 27 28 O 0.13214137546770 0.59818908995737 0.75000000000000 15.999 > 28 29 O 0.26919123184135 0.91448757159896 0.93749547400387 15.999 > 29 30 O 0.59818908995737 0.46604771448966 0.25000000000000 15.999 > 30 31 O 0.40181091004263 0.53395228551034 0.75000000000000 15.999 > 31 32 O 0.08551242840104 0.35470366024239 0.93749547400387 15.999 > 32 33 O 0.86785862453230 0.40181091004263 0.25000000000000 15.999 > 33 34 O 0.35470366024239 0.26919123184135 0.43749547400387 15.999 > 34 35 O 0.73080876815865 0.08551242840104 0.06250452599613 15.999 > 35 36 O 0.14718039417952 0.64664910270297 0.25000000000000 15.999 > 36 37 O 0.64529633975761 0.73080876815865 0.93749547400387 15.999 > 37 38 O 0.08551242840104 0.35470366024239 0.56250452599613 15.999 > 38 39 O 0.73080876815865 0.08551242840104 0.43749547400387 15.999 > 39 40 O 0.46604771448966 0.86785862453230 0.75000000000000 15.999 > 40 41 O 0.35335089729703 0.50053129147655 0.25000000000000 15.999 > 41 42 O 0.64664910270297 0.49946870852345 0.75000000000000 15.999 > 42 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 13.261306540000000 Atomic positions (fractional): *1 Ca 0.01893653974643 0.75590438836603 0.37500000000000 40.078 > 1 2 Ca 0.01893653974643 0.75590438836603 0.87500000000000 40.078 > 1 3 Ca 0.26303215138040 0.01893653974643 0.12500000000000 40.078 > 2 4 Ca 0.26303215138040 0.01893653974643 0.62500000000000 40.078 > 2 *5 Ca 0.66666666666667 0.33333333333333 0.25226130600629 40.078 > 3 6 Ca 0.66666666666667 0.33333333333333 0.75226130600630 40.078 > 3 7 Ca 0.24409561163397 0.26303215138040 0.37500000000000 40.078 > 4 8 Ca 0.24409561163397 0.26303215138040 0.87500000000000 40.078 > 4 9 Ca 0.75590438836603 0.73696784861960 0.12500000000000 40.078 > 5 10 Ca 0.75590438836603 0.73696784861960 0.62500000000000 40.078 > 5 11 Ca 0.33333333333333 0.66666666666667 0.24773869399370 40.078 > 6 12 Ca 0.33333333333333 0.66666666666667 0.74773869399370 40.078 > 6 13 Ca 0.98106346025356 0.24409561163397 0.12500000000000 40.078 > 7 14 Ca 0.98106346025356 0.24409561163397 0.62500000000000 40.078 > 7 15 Ca 0.66666666666667 0.33333333333333 0.49773869399371 40.078 > 8 16 Ca 0.66666666666667 0.33333333333333 0.99773869399370 40.078 > 8 17 Ca 0.33333333333333 0.66666666666667 0.00226130600629 40.078 > 9 18 Ca 0.33333333333333 0.66666666666667 0.50226130600630 40.078 > 9 19 Ca 0.73696784861960 0.98106346025356 0.37500000000000 40.078 > 10 20 Ca 0.73696784861960 0.98106346025356 0.87500000000000 40.078 > 10 *21 P 0.58785307132792 0.62033869201048 0.37500000000000 30.974 > 11 22 P 0.58785307132792 0.62033869201048 0.87500000000000 30.974 > 11 23 P 0.03248562068257 0.41214692867208 0.37500000000000 30.974 > 12 24 P 0.03248562068257 0.41214692867208 0.87500000000000 30.974 > 12 25 P 0.37966130798951 0.96751437931743 0.37500000000000 30.974 > 13 26 P 0.37966130798951 0.96751437931743 0.87500000000000 30.974 > 13 27 P 0.41214692867208 0.37966130798951 0.12500000000000 30.974 > 14 28 P 0.41214692867208 0.37966130798951 0.62500000000000 30.974 > 14 29 P 0.62033869201048 0.03248562068257 0.12500000000000 30.974 > 15 30 P 0.62033869201048 0.03248562068257 0.62500000000000 30.974 > 15 31 P 0.96751437931743 0.58785307132792 0.12500000000000 30.974 > 16 32 P 0.96751437931743 0.58785307132792 0.62500000000000 30.974 > 16 *33 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 17 34 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 17 35 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 18 36 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 18 *37 O 0.50053129147655 0.14718039417952 0.37500000000000 15.999 > 19 38 O 0.50053129147655 0.14718039417952 0.87500000000000 15.999 > 19 *39 O 0.64529633975761 0.73080876815865 0.28125226299807 15.999 > 20 40 O 0.64529633975761 0.73080876815865 0.78125226299807 15.999 > 20 *41 O 0.53395228551034 0.13214137546770 0.12500000000000 15.999 > 21 42 O 0.53395228551034 0.13214137546770 0.62500000000000 15.999 > 21 43 O 0.49946870852345 0.85281960582048 0.12500000000000 15.999 > 22 44 O 0.49946870852345 0.85281960582048 0.62500000000000 15.999 > 22 45 O 0.35470366024239 0.26919123184135 0.03125226299807 15.999 > 23 46 O 0.35470366024239 0.26919123184135 0.53125226299807 15.999 > 23 47 O 0.85281960582048 0.35335089729703 0.37500000000000 15.999 > 24 48 O 0.85281960582048 0.35335089729703 0.87500000000000 15.999 > 24 49 O 0.91448757159896 0.64529633975761 0.03125226299807 15.999 > 25 50 O 0.91448757159896 0.64529633975761 0.53125226299807 15.999 > 25 51 O 0.26919123184135 0.91448757159896 0.28125226299807 15.999 > 26 52 O 0.26919123184135 0.91448757159896 0.78125226299807 15.999 > 26 53 O 0.91448757159896 0.64529633975761 0.21874773700193 15.999 > 27 54 O 0.91448757159896 0.64529633975761 0.71874773700193 15.999 > 27 55 O 0.13214137546770 0.59818908995737 0.37500000000000 15.999 > 28 56 O 0.13214137546770 0.59818908995737 0.87500000000000 15.999 > 28 57 O 0.26919123184135 0.91448757159896 0.46874773700193 15.999 > 29 58 O 0.26919123184135 0.91448757159896 0.96874773700193 15.999 > 29 59 O 0.59818908995737 0.46604771448966 0.12500000000000 15.999 > 30 60 O 0.59818908995737 0.46604771448966 0.62500000000000 15.999 > 30 61 O 0.40181091004263 0.53395228551034 0.37500000000000 15.999 > 31 62 O 0.40181091004263 0.53395228551034 0.87500000000000 15.999 > 31 63 O 0.08551242840104 0.35470366024239 0.46874773700193 15.999 > 32 64 O 0.08551242840104 0.35470366024239 0.96874773700193 15.999 > 32 65 O 0.86785862453230 0.40181091004263 0.12500000000000 15.999 > 33 66 O 0.86785862453230 0.40181091004263 0.62500000000000 15.999 > 33 67 O 0.35470366024239 0.26919123184135 0.21874773700193 15.999 > 34 68 O 0.35470366024239 0.26919123184135 0.71874773700193 15.999 > 34 69 O 0.73080876815865 0.08551242840104 0.03125226299807 15.999 > 35 70 O 0.73080876815865 0.08551242840104 0.53125226299807 15.999 > 35 71 O 0.14718039417952 0.64664910270297 0.12500000000000 15.999 > 36 72 O 0.14718039417952 0.64664910270297 0.62500000000000 15.999 > 36 73 O 0.64529633975761 0.73080876815865 0.46874773700193 15.999 > 37 74 O 0.64529633975761 0.73080876815865 0.96874773700193 15.999 > 37 75 O 0.08551242840104 0.35470366024239 0.28125226299807 15.999 > 38 76 O 0.08551242840104 0.35470366024239 0.78125226299807 15.999 > 38 77 O 0.73080876815865 0.08551242840104 0.21874773700193 15.999 > 39 78 O 0.73080876815865 0.08551242840104 0.71874773700193 15.999 > 39 79 O 0.46604771448966 0.86785862453230 0.37500000000000 15.999 > 40 80 O 0.46604771448966 0.86785862453230 0.87500000000000 15.999 > 40 81 O 0.35335089729703 0.50053129147655 0.12500000000000 15.999 > 41 82 O 0.35335089729703 0.50053129147655 0.62500000000000 15.999 > 41 83 O 0.64664910270297 0.49946870852345 0.37500000000000 15.999 > 42 84 O 0.64664910270297 0.49946870852345 0.87500000000000 15.999 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0899725 -0.0000014 0.0000000 0.0000014 3.0899725 0.0000000 0.0000000 0.0000000 3.1189994 -------------------------- Born effective charges -------------------------- 1 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 2 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 3 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 4 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 5 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 6 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 7 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 8 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 9 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 10 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 11 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 12 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 13 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 14 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 15 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 16 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 17 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 18 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 19 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 20 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 21 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 22 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 23 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 24 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 25 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 26 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 27 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 28 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 29 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 30 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 31 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 32 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 33 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 34 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 35 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 36 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 37 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 38 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 39 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 40 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 41 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 42 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1380 Number of blocks in projector: 645 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 709 Use submatrix version of eigh solver. (1) Block: 500 / 709 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 709 / 709 (1) 198 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 191 Use standard eigh solver. Tree of FC basis block matrices: - (1380, 1346), data: False |-- (191, 184), data: True |-- (480, 476), data: True |-- (709, 686), data: False |-- (709, 11), data: (709, 34) @ (34, 11) |-- (209, 198), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 480 - Time: 1.430 Solver_block: 200 / 480 - Time: 1.597 Solver_block: 300 / 480 - Time: 1.636 Solver_block: 400 / 480 - Time: 1.430 Solver_block: 480 / 480 - Time: 1.204 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.531 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1380 Number of blocks in projector: 645 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 709 Use submatrix version of eigh solver. (1) Block: 500 / 709 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 709 / 709 (1) 198 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 191 Use standard eigh solver. Tree of FC basis block matrices: - (1380, 1346), data: False |-- (191, 184), data: True |-- (480, 476), data: True |-- (709, 686), data: False |-- (709, 11), data: (709, 34) @ (34, 11) |-- (209, 198), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:59:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:59:12]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 6.630653270000000 Atomic positions (fractional): 1 Ca 0.01893653974643 0.75590438836603 0.75000000000000 40.078 2 Ca 0.26303215138040 0.01893653974643 0.25000000000000 40.078 3 Ca 0.66666666666667 0.33333333333333 0.50452261201259 40.078 4 Ca 0.24409561163397 0.26303215138040 0.75000000000000 40.078 5 Ca 0.75590438836603 0.73696784861960 0.25000000000000 40.078 6 Ca 0.33333333333333 0.66666666666667 0.49547738798741 40.078 7 Ca 0.98106346025356 0.24409561163397 0.25000000000000 40.078 8 Ca 0.66666666666667 0.33333333333333 0.99547738798741 40.078 9 Ca 0.33333333333333 0.66666666666667 0.00452261201259 40.078 10 Ca 0.73696784861960 0.98106346025356 0.75000000000000 40.078 11 P 0.58785307132792 0.62033869201048 0.75000000000000 30.974 12 P 0.03248562068257 0.41214692867208 0.75000000000000 30.974 13 P 0.37966130798951 0.96751437931743 0.75000000000000 30.974 14 P 0.41214692867208 0.37966130798951 0.25000000000000 30.974 15 P 0.62033869201048 0.03248562068257 0.25000000000000 30.974 16 P 0.96751437931743 0.58785307132792 0.25000000000000 30.974 17 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 18 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 19 O 0.50053129147655 0.14718039417952 0.75000000000000 15.999 20 O 0.64529633975761 0.73080876815865 0.56250452599613 15.999 21 O 0.53395228551034 0.13214137546770 0.25000000000000 15.999 22 O 0.49946870852345 0.85281960582048 0.25000000000000 15.999 23 O 0.35470366024239 0.26919123184135 0.06250452599613 15.999 24 O 0.85281960582048 0.35335089729703 0.75000000000000 15.999 25 O 0.91448757159896 0.64529633975761 0.06250452599613 15.999 26 O 0.26919123184135 0.91448757159896 0.56250452599613 15.999 27 O 0.91448757159896 0.64529633975761 0.43749547400387 15.999 28 O 0.13214137546770 0.59818908995737 0.75000000000000 15.999 29 O 0.26919123184135 0.91448757159896 0.93749547400387 15.999 30 O 0.59818908995737 0.46604771448966 0.25000000000000 15.999 31 O 0.40181091004263 0.53395228551034 0.75000000000000 15.999 32 O 0.08551242840104 0.35470366024239 0.93749547400387 15.999 33 O 0.86785862453230 0.40181091004263 0.25000000000000 15.999 34 O 0.35470366024239 0.26919123184135 0.43749547400387 15.999 35 O 0.73080876815865 0.08551242840104 0.06250452599613 15.999 36 O 0.14718039417952 0.64664910270297 0.25000000000000 15.999 37 O 0.64529633975761 0.73080876815865 0.93749547400387 15.999 38 O 0.08551242840104 0.35470366024239 0.56250452599613 15.999 39 O 0.73080876815865 0.08551242840104 0.43749547400387 15.999 40 O 0.46604771448966 0.86785862453230 0.75000000000000 15.999 41 O 0.35335089729703 0.50053129147655 0.25000000000000 15.999 42 O 0.64664910270297 0.49946870852345 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 13.261306540000000 Atomic positions (fractional): 1 Ca 0.01893653974643 0.75590438836603 0.37500000000000 40.078 > 1 2 Ca 0.01893653974643 0.75590438836603 0.87500000000000 40.078 > 1 3 Ca 0.26303215138040 0.01893653974643 0.12500000000000 40.078 > 3 4 Ca 0.26303215138040 0.01893653974643 0.62500000000000 40.078 > 3 5 Ca 0.66666666666667 0.33333333333333 0.25226130600629 40.078 > 5 6 Ca 0.66666666666667 0.33333333333333 0.75226130600630 40.078 > 5 7 Ca 0.24409561163397 0.26303215138040 0.37500000000000 40.078 > 7 8 Ca 0.24409561163397 0.26303215138040 0.87500000000000 40.078 > 7 9 Ca 0.75590438836603 0.73696784861960 0.12500000000000 40.078 > 9 10 Ca 0.75590438836603 0.73696784861960 0.62500000000000 40.078 > 9 11 Ca 0.33333333333333 0.66666666666667 0.24773869399370 40.078 > 11 12 Ca 0.33333333333333 0.66666666666667 0.74773869399370 40.078 > 11 13 Ca 0.98106346025356 0.24409561163397 0.12500000000000 40.078 > 13 14 Ca 0.98106346025356 0.24409561163397 0.62500000000000 40.078 > 13 15 Ca 0.66666666666667 0.33333333333333 0.49773869399371 40.078 > 15 16 Ca 0.66666666666667 0.33333333333333 0.99773869399370 40.078 > 15 17 Ca 0.33333333333333 0.66666666666667 0.00226130600629 40.078 > 17 18 Ca 0.33333333333333 0.66666666666667 0.50226130600630 40.078 > 17 19 Ca 0.73696784861960 0.98106346025356 0.37500000000000 40.078 > 19 20 Ca 0.73696784861960 0.98106346025356 0.87500000000000 40.078 > 19 21 P 0.58785307132792 0.62033869201048 0.37500000000000 30.974 > 21 22 P 0.58785307132792 0.62033869201048 0.87500000000000 30.974 > 21 23 P 0.03248562068257 0.41214692867208 0.37500000000000 30.974 > 23 24 P 0.03248562068257 0.41214692867208 0.87500000000000 30.974 > 23 25 P 0.37966130798951 0.96751437931743 0.37500000000000 30.974 > 25 26 P 0.37966130798951 0.96751437931743 0.87500000000000 30.974 > 25 27 P 0.41214692867208 0.37966130798951 0.12500000000000 30.974 > 27 28 P 0.41214692867208 0.37966130798951 0.62500000000000 30.974 > 27 29 P 0.62033869201048 0.03248562068257 0.12500000000000 30.974 > 29 30 P 0.62033869201048 0.03248562068257 0.62500000000000 30.974 > 29 31 P 0.96751437931743 0.58785307132792 0.12500000000000 30.974 > 31 32 P 0.96751437931743 0.58785307132792 0.62500000000000 30.974 > 31 33 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 33 34 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 33 35 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 35 36 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 35 37 O 0.50053129147655 0.14718039417952 0.37500000000000 15.999 > 37 38 O 0.50053129147655 0.14718039417952 0.87500000000000 15.999 > 37 39 O 0.64529633975761 0.73080876815865 0.28125226299807 15.999 > 39 40 O 0.64529633975761 0.73080876815865 0.78125226299807 15.999 > 39 41 O 0.53395228551034 0.13214137546770 0.12500000000000 15.999 > 41 42 O 0.53395228551034 0.13214137546770 0.62500000000000 15.999 > 41 43 O 0.49946870852345 0.85281960582048 0.12500000000000 15.999 > 43 44 O 0.49946870852345 0.85281960582048 0.62500000000000 15.999 > 43 45 O 0.35470366024239 0.26919123184135 0.03125226299807 15.999 > 45 46 O 0.35470366024239 0.26919123184135 0.53125226299807 15.999 > 45 47 O 0.85281960582048 0.35335089729703 0.37500000000000 15.999 > 47 48 O 0.85281960582048 0.35335089729703 0.87500000000000 15.999 > 47 49 O 0.91448757159896 0.64529633975761 0.03125226299807 15.999 > 49 50 O 0.91448757159896 0.64529633975761 0.53125226299807 15.999 > 49 51 O 0.26919123184135 0.91448757159896 0.28125226299807 15.999 > 51 52 O 0.26919123184135 0.91448757159896 0.78125226299807 15.999 > 51 53 O 0.91448757159896 0.64529633975761 0.21874773700193 15.999 > 53 54 O 0.91448757159896 0.64529633975761 0.71874773700193 15.999 > 53 55 O 0.13214137546770 0.59818908995737 0.37500000000000 15.999 > 55 56 O 0.13214137546770 0.59818908995737 0.87500000000000 15.999 > 55 57 O 0.26919123184135 0.91448757159896 0.46874773700193 15.999 > 57 58 O 0.26919123184135 0.91448757159896 0.96874773700193 15.999 > 57 59 O 0.59818908995737 0.46604771448966 0.12500000000000 15.999 > 59 60 O 0.59818908995737 0.46604771448966 0.62500000000000 15.999 > 59 61 O 0.40181091004263 0.53395228551034 0.37500000000000 15.999 > 61 62 O 0.40181091004263 0.53395228551034 0.87500000000000 15.999 > 61 63 O 0.08551242840104 0.35470366024239 0.46874773700193 15.999 > 63 64 O 0.08551242840104 0.35470366024239 0.96874773700193 15.999 > 63 65 O 0.86785862453230 0.40181091004263 0.12500000000000 15.999 > 65 66 O 0.86785862453230 0.40181091004263 0.62500000000000 15.999 > 65 67 O 0.35470366024239 0.26919123184135 0.21874773700193 15.999 > 67 68 O 0.35470366024239 0.26919123184135 0.71874773700193 15.999 > 67 69 O 0.73080876815865 0.08551242840104 0.03125226299807 15.999 > 69 70 O 0.73080876815865 0.08551242840104 0.53125226299807 15.999 > 69 71 O 0.14718039417952 0.64664910270297 0.12500000000000 15.999 > 71 72 O 0.14718039417952 0.64664910270297 0.62500000000000 15.999 > 71 73 O 0.64529633975761 0.73080876815865 0.46874773700193 15.999 > 73 74 O 0.64529633975761 0.73080876815865 0.96874773700193 15.999 > 73 75 O 0.08551242840104 0.35470366024239 0.28125226299807 15.999 > 75 76 O 0.08551242840104 0.35470366024239 0.78125226299807 15.999 > 75 77 O 0.73080876815865 0.08551242840104 0.21874773700193 15.999 > 77 78 O 0.73080876815865 0.08551242840104 0.71874773700193 15.999 > 77 79 O 0.46604771448966 0.86785862453230 0.37500000000000 15.999 > 79 80 O 0.46604771448966 0.86785862453230 0.87500000000000 15.999 > 79 81 O 0.35335089729703 0.50053129147655 0.12500000000000 15.999 > 81 82 O 0.35335089729703 0.50053129147655 0.62500000000000 15.999 > 81 83 O 0.64664910270297 0.49946870852345 0.37500000000000 15.999 > 83 84 O 0.64664910270297 0.49946870852345 0.87500000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0899725 -0.0000014 0.0000000 0.0000014 3.0899725 0.0000000 0.0000000 0.0000000 3.1189994 -------------------------- Born effective charges -------------------------- 1 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 2 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 3 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 4 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 5 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 6 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 7 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 8 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 9 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 10 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 11 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 12 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 13 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 14 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 15 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 16 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 17 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 18 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 19 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 20 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 21 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 22 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 23 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 24 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 25 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 26 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 27 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 28 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 29 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 30 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 31 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 32 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 33 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 34 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 35 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 36 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 37 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 38 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 39 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 40 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 41 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 42 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:59:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:59:31]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 6.630653270000000 Atomic positions (fractional): 1 Ca 0.01893653974643 0.75590438836603 0.75000000000000 40.078 2 Ca 0.26303215138040 0.01893653974643 0.25000000000000 40.078 3 Ca 0.66666666666667 0.33333333333333 0.50452261201259 40.078 4 Ca 0.24409561163397 0.26303215138040 0.75000000000000 40.078 5 Ca 0.75590438836603 0.73696784861960 0.25000000000000 40.078 6 Ca 0.33333333333333 0.66666666666667 0.49547738798741 40.078 7 Ca 0.98106346025356 0.24409561163397 0.25000000000000 40.078 8 Ca 0.66666666666667 0.33333333333333 0.99547738798741 40.078 9 Ca 0.33333333333333 0.66666666666667 0.00452261201259 40.078 10 Ca 0.73696784861960 0.98106346025356 0.75000000000000 40.078 11 P 0.58785307132792 0.62033869201048 0.75000000000000 30.974 12 P 0.03248562068257 0.41214692867208 0.75000000000000 30.974 13 P 0.37966130798951 0.96751437931743 0.75000000000000 30.974 14 P 0.41214692867208 0.37966130798951 0.25000000000000 30.974 15 P 0.62033869201048 0.03248562068257 0.25000000000000 30.974 16 P 0.96751437931743 0.58785307132792 0.25000000000000 30.974 17 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 18 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 19 O 0.50053129147655 0.14718039417952 0.75000000000000 15.999 20 O 0.64529633975761 0.73080876815865 0.56250452599613 15.999 21 O 0.53395228551034 0.13214137546770 0.25000000000000 15.999 22 O 0.49946870852345 0.85281960582048 0.25000000000000 15.999 23 O 0.35470366024239 0.26919123184135 0.06250452599613 15.999 24 O 0.85281960582048 0.35335089729703 0.75000000000000 15.999 25 O 0.91448757159896 0.64529633975761 0.06250452599613 15.999 26 O 0.26919123184135 0.91448757159896 0.56250452599613 15.999 27 O 0.91448757159896 0.64529633975761 0.43749547400387 15.999 28 O 0.13214137546770 0.59818908995737 0.75000000000000 15.999 29 O 0.26919123184135 0.91448757159896 0.93749547400387 15.999 30 O 0.59818908995737 0.46604771448966 0.25000000000000 15.999 31 O 0.40181091004263 0.53395228551034 0.75000000000000 15.999 32 O 0.08551242840104 0.35470366024239 0.93749547400387 15.999 33 O 0.86785862453230 0.40181091004263 0.25000000000000 15.999 34 O 0.35470366024239 0.26919123184135 0.43749547400387 15.999 35 O 0.73080876815865 0.08551242840104 0.06250452599613 15.999 36 O 0.14718039417952 0.64664910270297 0.25000000000000 15.999 37 O 0.64529633975761 0.73080876815865 0.93749547400387 15.999 38 O 0.08551242840104 0.35470366024239 0.56250452599613 15.999 39 O 0.73080876815865 0.08551242840104 0.43749547400387 15.999 40 O 0.46604771448966 0.86785862453230 0.75000000000000 15.999 41 O 0.35335089729703 0.50053129147655 0.25000000000000 15.999 42 O 0.64664910270297 0.49946870852345 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.685177438614387 0.000000000000000 0.000000000000000 b -4.842588719307193 8.387609701999960 0.000000000000000 c 0.000000000000000 0.000000000000000 13.261306540000000 Atomic positions (fractional): 1 Ca 0.01893653974643 0.75590438836603 0.37500000000000 40.078 > 1 2 Ca 0.01893653974643 0.75590438836603 0.87500000000000 40.078 > 1 3 Ca 0.26303215138040 0.01893653974643 0.12500000000000 40.078 > 3 4 Ca 0.26303215138040 0.01893653974643 0.62500000000000 40.078 > 3 5 Ca 0.66666666666667 0.33333333333333 0.25226130600629 40.078 > 5 6 Ca 0.66666666666667 0.33333333333333 0.75226130600630 40.078 > 5 7 Ca 0.24409561163397 0.26303215138040 0.37500000000000 40.078 > 7 8 Ca 0.24409561163397 0.26303215138040 0.87500000000000 40.078 > 7 9 Ca 0.75590438836603 0.73696784861960 0.12500000000000 40.078 > 9 10 Ca 0.75590438836603 0.73696784861960 0.62500000000000 40.078 > 9 11 Ca 0.33333333333333 0.66666666666667 0.24773869399370 40.078 > 11 12 Ca 0.33333333333333 0.66666666666667 0.74773869399370 40.078 > 11 13 Ca 0.98106346025356 0.24409561163397 0.12500000000000 40.078 > 13 14 Ca 0.98106346025356 0.24409561163397 0.62500000000000 40.078 > 13 15 Ca 0.66666666666667 0.33333333333333 0.49773869399371 40.078 > 15 16 Ca 0.66666666666667 0.33333333333333 0.99773869399370 40.078 > 15 17 Ca 0.33333333333333 0.66666666666667 0.00226130600629 40.078 > 17 18 Ca 0.33333333333333 0.66666666666667 0.50226130600630 40.078 > 17 19 Ca 0.73696784861960 0.98106346025356 0.37500000000000 40.078 > 19 20 Ca 0.73696784861960 0.98106346025356 0.87500000000000 40.078 > 19 21 P 0.58785307132792 0.62033869201048 0.37500000000000 30.974 > 21 22 P 0.58785307132792 0.62033869201048 0.87500000000000 30.974 > 21 23 P 0.03248562068257 0.41214692867208 0.37500000000000 30.974 > 23 24 P 0.03248562068257 0.41214692867208 0.87500000000000 30.974 > 23 25 P 0.37966130798951 0.96751437931743 0.37500000000000 30.974 > 25 26 P 0.37966130798951 0.96751437931743 0.87500000000000 30.974 > 25 27 P 0.41214692867208 0.37966130798951 0.12500000000000 30.974 > 27 28 P 0.41214692867208 0.37966130798951 0.62500000000000 30.974 > 27 29 P 0.62033869201048 0.03248562068257 0.12500000000000 30.974 > 29 30 P 0.62033869201048 0.03248562068257 0.62500000000000 30.974 > 29 31 P 0.96751437931743 0.58785307132792 0.12500000000000 30.974 > 31 32 P 0.96751437931743 0.58785307132792 0.62500000000000 30.974 > 31 33 Cl 0.00000000000000 0.00000000000000 0.25000000000000 35.453 > 33 34 Cl 0.00000000000000 0.00000000000000 0.75000000000000 35.453 > 33 35 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 35 36 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 35 37 O 0.50053129147655 0.14718039417952 0.37500000000000 15.999 > 37 38 O 0.50053129147655 0.14718039417952 0.87500000000000 15.999 > 37 39 O 0.64529633975761 0.73080876815865 0.28125226299807 15.999 > 39 40 O 0.64529633975761 0.73080876815865 0.78125226299807 15.999 > 39 41 O 0.53395228551034 0.13214137546770 0.12500000000000 15.999 > 41 42 O 0.53395228551034 0.13214137546770 0.62500000000000 15.999 > 41 43 O 0.49946870852345 0.85281960582048 0.12500000000000 15.999 > 43 44 O 0.49946870852345 0.85281960582048 0.62500000000000 15.999 > 43 45 O 0.35470366024239 0.26919123184135 0.03125226299807 15.999 > 45 46 O 0.35470366024239 0.26919123184135 0.53125226299807 15.999 > 45 47 O 0.85281960582048 0.35335089729703 0.37500000000000 15.999 > 47 48 O 0.85281960582048 0.35335089729703 0.87500000000000 15.999 > 47 49 O 0.91448757159896 0.64529633975761 0.03125226299807 15.999 > 49 50 O 0.91448757159896 0.64529633975761 0.53125226299807 15.999 > 49 51 O 0.26919123184135 0.91448757159896 0.28125226299807 15.999 > 51 52 O 0.26919123184135 0.91448757159896 0.78125226299807 15.999 > 51 53 O 0.91448757159896 0.64529633975761 0.21874773700193 15.999 > 53 54 O 0.91448757159896 0.64529633975761 0.71874773700193 15.999 > 53 55 O 0.13214137546770 0.59818908995737 0.37500000000000 15.999 > 55 56 O 0.13214137546770 0.59818908995737 0.87500000000000 15.999 > 55 57 O 0.26919123184135 0.91448757159896 0.46874773700193 15.999 > 57 58 O 0.26919123184135 0.91448757159896 0.96874773700193 15.999 > 57 59 O 0.59818908995737 0.46604771448966 0.12500000000000 15.999 > 59 60 O 0.59818908995737 0.46604771448966 0.62500000000000 15.999 > 59 61 O 0.40181091004263 0.53395228551034 0.37500000000000 15.999 > 61 62 O 0.40181091004263 0.53395228551034 0.87500000000000 15.999 > 61 63 O 0.08551242840104 0.35470366024239 0.46874773700193 15.999 > 63 64 O 0.08551242840104 0.35470366024239 0.96874773700193 15.999 > 63 65 O 0.86785862453230 0.40181091004263 0.12500000000000 15.999 > 65 66 O 0.86785862453230 0.40181091004263 0.62500000000000 15.999 > 65 67 O 0.35470366024239 0.26919123184135 0.21874773700193 15.999 > 67 68 O 0.35470366024239 0.26919123184135 0.71874773700193 15.999 > 67 69 O 0.73080876815865 0.08551242840104 0.03125226299807 15.999 > 69 70 O 0.73080876815865 0.08551242840104 0.53125226299807 15.999 > 69 71 O 0.14718039417952 0.64664910270297 0.12500000000000 15.999 > 71 72 O 0.14718039417952 0.64664910270297 0.62500000000000 15.999 > 71 73 O 0.64529633975761 0.73080876815865 0.46874773700193 15.999 > 73 74 O 0.64529633975761 0.73080876815865 0.96874773700193 15.999 > 73 75 O 0.08551242840104 0.35470366024239 0.28125226299807 15.999 > 75 76 O 0.08551242840104 0.35470366024239 0.78125226299807 15.999 > 75 77 O 0.73080876815865 0.08551242840104 0.21874773700193 15.999 > 77 78 O 0.73080876815865 0.08551242840104 0.71874773700193 15.999 > 77 79 O 0.46604771448966 0.86785862453230 0.37500000000000 15.999 > 79 80 O 0.46604771448966 0.86785862453230 0.87500000000000 15.999 > 79 81 O 0.35335089729703 0.50053129147655 0.12500000000000 15.999 > 81 82 O 0.35335089729703 0.50053129147655 0.62500000000000 15.999 > 81 83 O 0.64664910270297 0.49946870852345 0.37500000000000 15.999 > 83 84 O 0.64664910270297 0.49946870852345 0.87500000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0899725 -0.0000014 0.0000000 0.0000014 3.0899725 0.0000000 0.0000000 0.0000000 3.1189994 -------------------------- Born effective charges -------------------------- 1 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 2 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 3 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 4 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 5 Ca 2.4102852 0.0799423 0.0000000 0.0565669 2.5282392 -0.0000000 -0.0000000 -0.0000000 2.6579337 6 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 7 Ca 2.4396405 -0.0735152 0.0000000 -0.0968906 2.4988839 -0.0000000 -0.0000000 -0.0000000 2.6579337 8 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 9 Ca 2.4652227 -0.0609336 0.0000000 0.0609336 2.4652227 -0.0000000 -0.0000000 -0.0000000 2.5315021 10 Ca 2.5578609 0.0286360 0.0000000 0.0052606 2.3806635 -0.0000000 -0.0000000 -0.0000000 2.6579337 11 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 12 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 13 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 14 P 3.3728080 -0.1104405 0.0000000 -0.2406653 3.3441386 -0.0000000 -0.0000000 -0.0000000 3.1805926 15 P 3.1992727 0.1404746 0.0000000 0.0102498 3.5176739 -0.0000000 -0.0000000 -0.0000000 3.1805926 16 P 3.5033392 0.1653031 0.0000000 0.0350783 3.2136074 -0.0000000 -0.0000000 -0.0000000 3.1805926 17 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 18 Cl -1.1277633 0.0322112 0.0000000 -0.0322112 -1.1277633 -0.0000000 -0.0000000 -0.0000000 -1.4208249 19 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 20 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 21 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 22 O -1.2786535 -0.3384955 0.0000000 -0.3561607 -2.6270718 -0.0000000 -0.0000000 -0.0000000 -1.4375088 23 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 24 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 25 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 26 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 27 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 28 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 29 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 30 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 31 O -2.2517977 -0.3915387 0.0000000 -0.3810633 -1.8059845 -0.0000000 -0.0000000 -0.0000000 -1.3282569 32 O -1.6007757 0.1538889 -0.2192083 0.2043985 -1.5127668 0.3846883 -0.2373327 0.3444027 -2.1434102 33 O -1.5828913 -0.0051300 0.0000000 0.0053455 -2.4748909 -0.0000000 -0.0000000 -0.0000000 -1.3282569 34 O -1.3796260 -0.0767177 0.2235457 -0.0262081 -1.7339165 0.3821841 0.1795951 0.3777375 -2.1434102 35 O -1.6899120 -0.1529357 0.4427540 -0.1024260 -1.4236304 -0.0025042 0.4169279 0.0333348 -2.1434102 36 O -2.5907622 -0.4013856 0.0000000 -0.4190508 -1.3149631 -0.0000000 -0.0000000 -0.0000000 -1.4375088 37 O -1.3796260 -0.0767177 -0.2235457 -0.0262081 -1.7339165 -0.3821841 -0.1795951 -0.3777375 -2.1434102 38 O -1.6007757 0.1538889 0.2192083 0.2043985 -1.5127668 -0.3846883 0.2373327 -0.3444027 -2.1434102 39 O -1.6899120 -0.1529357 -0.4427540 -0.1024260 -1.4236304 0.0025042 -0.4169279 -0.0333348 -2.1434102 40 O -2.2519843 0.3809556 0.0000000 0.3914310 -1.8057979 -0.0000000 -0.0000000 -0.0000000 -1.3282569 41 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 42 O -1.9891723 0.7663789 0.0000000 0.7487137 -1.9165530 -0.0000000 -0.0000000 -0.0000000 -1.4375088 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 8 ] 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: 0.51, Number of G-points: 283, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.755 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.455 ( 0.000 0.000 0.000) 0.000 12.455 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 13.950 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.107 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 17.313 ( 0.000 0.000 0.000) 0.000 17.313 ( 0.000 0.000 0.000) 0.000 17.602 ( 0.000 0.000 0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 17.860 ( 0.000 0.000 0.000) 0.000 17.860 ( 0.000 0.000 0.000) 0.000 27.581 ( 0.000 0.000 0.000) 0.000 27.609 ( 0.000 0.000 0.000) 0.000 27.673 ( 0.000 0.000 0.000) 0.000 27.673 ( 0.000 0.000 0.000) 0.000 27.759 ( 0.000 0.000 0.000) 0.000 27.759 ( 0.000 0.000 0.000) 0.000 29.259 ( 0.000 0.000 0.000) 0.000 29.259 ( 0.000 0.000 0.000) 0.000 29.627 ( 0.000 0.000 0.000) 0.000 29.688 ( 0.000 0.000 0.000) 0.000 29.775 ( 0.000 0.000 0.000) 0.000 29.912 ( 0.000 0.000 0.000) 0.000 29.912 ( 0.000 0.000 0.000) 0.000 29.953 ( 0.000 0.000 0.000) 0.000 29.953 ( 0.000 0.000 0.000) 0.000 29.954 ( 0.000 0.000 0.000) 0.000 29.954 ( 0.000 0.000 0.000) 0.000 30.525 ( 0.000 0.000 0.000) 0.000 31.189 ( 0.000 0.000 0.000) 0.000 31.189 ( 0.000 0.000 0.000) 0.000 31.585 ( 0.000 0.000 0.000) 0.000 31.585 ( 0.000 0.000 0.000) 0.000 31.926 ( 0.000 0.000 0.000) 0.000 33.545 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.506 -0.337 0.000) 0.608 0.669 ( 19.590 11.227 0.000) 22.579 0.689 ( 28.934 17.586 0.000) 33.859 1.249 ( 53.014 30.077 0.000) 60.951 2.198 ( -6.080 1.151 0.000) 6.188 2.272 ( 4.660 -2.816 0.000) 5.445 2.559 ( 5.421 3.899 0.000) 6.678 2.606 ( 8.226 4.825 0.000) 9.536 2.648 ( -9.294 -4.871 0.000) 10.493 2.889 ( 11.292 0.480 0.000) 11.302 2.937 ( -0.354 5.299 0.000) 5.311 3.319 ( -9.092 -4.855 0.000) 10.306 3.498 ( 1.235 -0.776 0.000) 1.459 3.513 ( 0.090 0.921 0.000) 0.926 3.729 ( -4.946 -3.967 0.000) 6.341 3.737 ( 13.799 8.730 0.000) 16.329 3.766 ( -1.291 -0.087 0.000) 1.294 3.968 ( -4.558 -1.284 0.000) 4.736 4.078 ( -1.589 -0.517 0.000) 1.671 4.087 ( 2.607 -1.623 0.000) 3.071 4.181 ( 5.876 2.508 0.000) 6.389 4.246 ( -3.037 0.624 0.000) 3.100 4.469 ( -2.908 -3.510 0.000) 4.558 4.691 ( -0.450 -1.165 0.000) 1.249 4.705 ( -10.769 -1.186 0.000) 10.834 4.755 ( 0.090 -4.284 0.000) 4.285 4.810 ( 5.734 3.199 0.000) 6.566 4.867 ( 5.364 3.714 0.000) 6.524 4.885 ( -8.178 2.164 0.000) 8.460 5.136 ( 9.374 -4.111 0.000) 10.236 5.267 ( -0.262 -0.186 0.000) 0.321 5.277 ( 5.545 6.676 0.000) 8.679 5.542 ( -12.493 -7.042 0.000) 14.341 5.681 ( -7.752 -2.817 0.000) 8.247 5.742 ( 5.088 2.812 0.000) 5.813 5.779 ( 7.981 4.624 0.000) 9.224 5.839 ( -6.776 -6.893 0.000) 9.666 5.915 ( -3.928 -0.920 0.000) 4.034 6.043 ( 1.440 0.862 0.000) 1.678 6.093 ( 3.031 1.474 0.000) 3.371 6.159 ( -11.605 -6.529 0.000) 13.315 6.262 ( -4.466 -1.883 0.000) 4.847 6.345 ( 0.441 0.171 0.000) 0.473 6.612 ( -0.117 -0.071 0.000) 0.136 6.619 ( -6.979 -4.325 0.000) 8.211 6.715 ( -10.825 -5.056 0.000) 11.947 6.779 ( -4.763 0.976 0.000) 4.862 6.785 ( -0.530 -4.253 0.000) 4.286 6.796 ( -4.649 -4.216 0.000) 6.276 6.879 ( -4.327 -1.551 0.000) 4.596 6.975 ( -0.058 0.453 0.000) 0.457 7.038 ( 3.782 1.927 0.000) 4.245 7.305 ( 0.801 1.025 0.000) 1.301 7.447 ( 4.548 2.415 0.000) 5.149 7.575 ( 2.302 2.372 0.000) 3.306 7.592 ( -1.850 -1.088 0.000) 2.146 7.618 ( 6.916 2.147 0.000) 7.242 7.912 ( -4.705 -2.715 0.000) 5.432 7.937 ( 0.890 -1.258 0.000) 1.541 7.976 ( 1.615 2.606 0.000) 3.065 8.165 ( -1.337 -0.774 0.000) 1.545 8.301 ( 0.259 -0.175 0.000) 0.313 8.317 ( -2.267 -2.816 0.000) 3.615 8.359 ( 1.041 2.124 0.000) 2.366 8.396 ( 0.400 -1.758 0.000) 1.803 8.426 ( 0.983 1.367 0.000) 1.684 8.484 ( 8.799 7.786 0.000) 11.750 8.580 ( 0.870 0.502 0.000) 1.004 8.791 ( 11.802 5.786 0.000) 13.144 9.313 ( 5.393 3.118 0.000) 6.229 9.762 ( -0.415 -0.295 0.000) 0.509 10.363 ( -9.397 -5.339 0.000) 10.808 11.974 ( -0.590 -0.336 0.000) 0.679 12.024 ( -1.030 -0.656 0.000) 1.221 12.030 ( -0.399 -0.173 0.000) 0.435 12.466 ( 0.825 0.475 0.000) 0.952 12.539 ( 6.788 3.920 0.000) 7.839 12.701 ( -2.916 -0.111 0.000) 2.918 12.734 ( 0.955 -1.030 0.000) 1.404 12.945 ( -7.545 -4.359 0.000) 8.714 13.381 ( -0.365 -0.207 0.000) 0.420 13.475 ( -4.718 -2.724 0.000) 5.448 13.497 ( 8.076 4.643 0.000) 9.315 13.953 ( 0.044 0.041 0.000) 0.060 15.795 ( 0.295 0.170 0.000) 0.340 15.849 ( -0.320 -0.185 0.000) 0.369 15.850 ( -0.234 -0.135 0.000) 0.270 16.016 ( -0.439 -0.219 0.000) 0.490 16.071 ( -2.559 -1.296 0.000) 2.869 16.150 ( 0.197 -0.898 0.000) 0.920 16.195 ( -0.825 2.223 0.000) 2.371 16.218 ( 2.953 -0.180 0.000) 2.959 16.463 ( -1.806 -1.036 0.000) 2.082 16.828 ( 0.022 0.013 0.000) 0.026 16.857 ( 2.459 1.420 0.000) 2.839 17.234 ( -1.700 -0.982 0.000) 1.963 17.276 ( -2.487 -1.410 0.000) 2.859 17.628 ( 0.908 0.655 0.000) 1.120 17.717 ( -0.846 -0.287 0.000) 0.893 17.763 ( -0.144 -2.243 0.000) 2.248 17.881 ( -1.056 5.521 0.000) 5.621 17.914 ( 4.729 -1.606 0.000) 4.994 27.571 ( -0.755 -0.435 0.000) 0.872 27.586 ( -1.457 -0.842 0.000) 1.682 27.667 ( -0.686 -0.402 0.000) 0.795 27.701 ( 1.432 0.840 0.000) 1.661 27.763 ( 0.278 0.196 0.000) 0.341 27.766 ( 0.486 0.235 0.000) 0.540 29.261 ( 0.281 -0.109 0.000) 0.301 29.278 ( 1.475 1.126 0.000) 1.856 29.637 ( 0.880 0.508 0.000) 1.016 29.646 ( -3.054 -1.785 0.000) 3.537 29.795 ( 1.503 0.786 0.000) 1.697 29.869 ( -3.694 -2.134 0.000) 4.266 29.886 ( -2.306 -1.330 0.000) 2.662 29.965 ( 4.326 2.695 0.000) 5.097 30.028 ( 2.824 1.630 0.000) 3.261 30.048 ( 4.692 2.710 0.000) 5.418 30.495 ( -2.611 -1.507 0.000) 3.015 30.906 ( -7.601 -4.944 0.000) 9.067 31.196 ( -0.242 1.427 0.000) 1.447 31.244 ( 4.449 1.472 0.000) 4.686 31.589 ( 0.021 0.004 0.000) 0.021 31.983 ( 4.779 2.761 0.000) 5.519 32.955 ( -1.097 -0.648 0.000) 1.274 33.504 ( -3.348 -1.924 0.000) 3.861 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -7.813 -5.408 0.000) 9.503 1.282 ( 25.704 14.311 0.000) 29.419 1.328 ( 24.647 17.401 0.000) 30.170 2.101 ( -8.289 2.755 0.000) 8.735 2.344 ( -1.651 -11.717 0.000) 11.832 2.379 ( 8.560 -3.831 0.000) 9.378 2.384 ( 33.493 21.876 0.000) 40.005 2.631 ( 0.407 -4.249 0.000) 4.269 2.782 ( 5.819 8.644 0.000) 10.420 2.959 ( -3.160 13.393 0.000) 13.761 3.109 ( -5.853 -0.394 0.000) 5.866 3.253 ( 22.314 0.111 0.000) 22.314 3.452 ( -2.462 -8.063 0.000) 8.431 3.488 ( -16.611 -9.869 0.000) 19.322 3.518 ( -3.608 6.774 0.000) 7.675 3.734 ( 0.147 0.425 0.000) 0.450 3.974 ( -3.148 2.907 0.000) 4.285 3.977 ( -1.268 5.572 0.000) 5.715 4.011 ( 2.630 -14.654 0.000) 14.888 4.142 ( 11.827 -0.040 0.000) 11.827 4.249 ( -0.793 -0.935 0.000) 1.225 4.258 ( -2.695 9.356 0.000) 9.736 4.420 ( 0.998 -1.841 0.000) 2.094 4.516 ( -8.003 0.831 0.000) 8.046 4.683 ( -7.559 -6.326 0.000) 9.857 4.714 ( 4.893 -2.323 0.000) 5.416 4.756 ( -3.891 4.385 0.000) 5.862 4.963 ( 1.781 4.994 0.000) 5.302 5.005 ( 8.435 3.860 0.000) 9.276 5.179 ( -7.406 -2.936 0.000) 7.967 5.273 ( 0.891 0.144 0.000) 0.903 5.288 ( 9.136 -4.080 0.000) 10.005 5.453 ( -1.556 -4.375 0.000) 4.644 5.489 ( -7.121 5.331 0.000) 8.895 5.653 ( -5.953 -9.610 0.000) 11.305 5.826 ( -1.516 -1.756 0.000) 2.320 5.842 ( -4.213 1.564 0.000) 4.494 5.923 ( 0.463 -3.365 0.000) 3.397 6.005 ( 5.600 8.009 0.000) 9.773 6.030 ( -1.180 -5.795 0.000) 5.914 6.126 ( 0.751 -0.149 0.000) 0.766 6.222 ( -4.650 6.533 0.000) 8.019 6.306 ( -12.017 -7.389 0.000) 14.107 6.336 ( -1.548 -1.190 0.000) 1.953 6.507 ( -6.373 -5.851 0.000) 8.652 6.527 ( -6.081 -3.732 0.000) 7.135 6.657 ( -5.847 -2.667 0.000) 6.427 6.733 ( -1.588 -2.717 0.000) 3.146 6.764 ( 0.444 -1.309 0.000) 1.382 6.848 ( 0.278 1.438 0.000) 1.465 7.016 ( 2.276 3.065 0.000) 3.818 7.108 ( 1.999 0.380 0.000) 2.035 7.284 ( -1.589 0.701 0.000) 1.736 7.543 ( -1.943 -1.386 0.000) 2.387 7.598 ( 2.050 4.812 0.000) 5.231 7.615 ( 5.129 -2.477 0.000) 5.695 7.734 ( 4.389 1.274 0.000) 4.570 7.795 ( -4.525 -2.536 0.000) 5.187 7.939 ( 0.025 -1.039 0.000) 1.040 8.001 ( -0.471 1.294 0.000) 1.377 8.159 ( 0.536 0.310 0.000) 0.619 8.253 ( -1.741 -1.698 0.000) 2.432 8.282 ( -1.432 -1.746 0.000) 2.258 8.362 ( -1.358 3.840 0.000) 4.073 8.400 ( 1.637 -3.326 0.000) 3.707 8.485 ( 2.425 1.997 0.000) 3.141 8.592 ( 0.111 0.071 0.000) 0.132 8.735 ( 8.216 8.426 0.000) 11.769 9.118 ( 16.959 7.008 0.000) 18.350 9.466 ( 7.413 3.900 0.000) 8.377 9.738 ( -1.804 -0.858 0.000) 1.997 10.070 ( -15.536 -8.415 0.000) 17.669 11.959 ( -0.564 -0.298 0.000) 0.637 11.998 ( -0.884 -0.613 0.000) 1.076 12.026 ( -0.084 0.028 0.000) 0.089 12.486 ( 0.744 0.426 0.000) 0.858 12.649 ( -2.495 0.055 0.000) 2.496 12.732 ( 9.070 5.238 0.000) 10.474 12.740 ( 0.747 -1.010 0.000) 1.256 12.785 ( -5.611 -3.332 0.000) 6.526 13.328 ( -7.430 -4.290 0.000) 8.580 13.372 ( -0.375 -0.209 0.000) 0.430 13.681 ( 7.326 4.155 0.000) 8.422 13.939 ( -1.546 -0.831 0.000) 1.756 15.804 ( 0.480 0.277 0.000) 0.554 15.840 ( -0.498 -0.289 0.000) 0.576 15.844 ( -0.233 -0.133 0.000) 0.268 16.003 ( -0.660 -0.303 0.000) 0.727 16.016 ( -2.143 -0.871 0.000) 2.314 16.152 ( 1.334 -1.355 0.000) 1.901 16.195 ( -1.704 2.178 0.000) 2.765 16.274 ( 3.356 0.354 0.000) 3.374 16.408 ( -2.935 -1.520 0.000) 3.306 16.828 ( 0.022 0.013 0.000) 0.026 16.929 ( 3.436 1.983 0.000) 3.967 17.181 ( -2.692 -1.554 0.000) 3.108 17.228 ( -1.458 -0.792 0.000) 1.659 17.608 ( -1.911 -0.906 0.000) 2.114 17.721 ( 1.516 -0.607 0.000) 1.633 17.761 ( 0.421 -0.307 0.000) 0.521 17.922 ( -1.024 5.717 0.000) 5.808 17.969 ( 3.740 -2.379 0.000) 4.433 27.553 ( -0.767 -0.432 0.000) 0.881 27.557 ( -0.860 -0.506 0.000) 0.998 27.649 ( -0.733 -0.431 0.000) 0.850 27.732 ( 1.043 0.633 0.000) 1.220 27.770 ( 0.256 0.196 0.000) 0.322 27.775 ( 0.354 0.126 0.000) 0.376 29.265 ( 0.297 -0.121 0.000) 0.320 29.325 ( 2.083 1.539 0.000) 2.590 29.571 ( -3.077 -1.886 0.000) 3.609 29.667 ( 1.771 1.023 0.000) 2.045 29.788 ( -3.331 -1.924 0.000) 3.847 29.826 ( 1.009 0.442 0.000) 1.102 29.847 ( -1.116 -0.643 0.000) 1.287 30.079 ( 1.571 0.906 0.000) 1.814 30.107 ( 7.265 4.918 0.000) 8.773 30.166 ( 5.452 3.148 0.000) 6.296 30.411 ( -4.561 -2.633 0.000) 5.267 30.689 ( -9.812 -6.780 0.000) 11.926 31.204 ( -0.189 0.813 0.000) 0.834 31.353 ( 5.314 2.816 0.000) 6.014 31.568 ( -2.024 -1.239 0.000) 2.373 32.119 ( 6.042 3.510 0.000) 6.987 32.924 ( -1.356 -0.844 0.000) 1.597 33.411 ( -4.065 -2.310 0.000) 4.676 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 2.006 ( -0.000 -0.000 0.000) 0.000 2.385 ( -0.000 -0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 -0.000 0.000) 0.000 3.098 ( 0.000 -0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.205 ( -0.000 0.000 0.000) 0.000 3.512 ( 0.000 -0.000 0.000) 0.000 3.531 ( -0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 -0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 -0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.504 ( -0.000 -0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 -0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.395 ( -0.000 -0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 -0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.381 ( -0.000 0.000 0.000) 0.000 8.389 ( 0.000 -0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 0.000) 0.000 9.780 ( -0.000 -0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 -0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.789 ( 0.000 0.000 0.000) 0.000 13.900 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.332 ( -0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 16.829 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.212 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.735 ( 0.000 0.000 0.000) 0.000 17.760 ( 0.000 0.000 0.000) 0.000 17.944 ( 0.000 0.000 0.000) 0.000 17.990 ( 0.000 0.000 0.000) 0.000 27.543 ( 0.000 0.000 0.000) 0.000 27.547 ( 0.000 0.000 0.000) 0.000 27.640 ( 0.000 0.000 0.000) 0.000 27.745 ( 0.000 0.000 0.000) 0.000 27.773 ( 0.000 0.000 0.000) 0.000 27.779 ( 0.000 0.000 0.000) 0.000 29.268 ( 0.000 0.000 0.000) 0.000 29.358 ( 0.000 0.000 0.000) 0.000 29.527 ( 0.000 0.000 0.000) 0.000 29.713 ( 0.000 0.000 0.000) 0.000 29.724 ( -0.000 -0.000 0.000) 0.000 29.834 ( 0.000 -0.000 0.000) 0.000 29.836 ( 0.000 0.000 0.000) 0.000 30.097 ( 0.000 0.000 0.000) 0.000 30.242 ( 0.000 0.000 0.000) 0.000 30.289 ( 0.000 0.000 0.000) 0.000 30.297 ( -0.000 -0.000 0.000) 0.000 30.521 ( 0.000 0.000 0.000) 0.000 31.206 ( 0.000 0.000 0.000) 0.000 31.444 ( 0.000 0.000 0.000) 0.000 31.515 ( 0.000 0.000 0.000) 0.000 32.201 ( 0.000 0.000 0.000) 0.000 32.905 ( 0.000 0.000 0.000) 0.000 33.357 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -5.102 -7.712 0.000) 9.247 1.124 ( 15.318 27.051 0.000) 31.087 1.200 ( 19.127 28.638 0.000) 34.438 2.058 ( 22.949 43.589 0.000) 49.261 2.167 ( 7.348 -5.330 0.000) 9.077 2.336 ( -6.328 10.980 0.000) 12.672 2.516 ( -8.509 -2.725 0.000) 8.934 2.609 ( -0.341 1.493 0.000) 1.532 2.753 ( 6.406 5.888 0.000) 8.701 2.856 ( 8.639 -9.928 0.000) 13.161 3.111 ( -5.339 -13.148 0.000) 14.190 3.151 ( 1.110 17.113 0.000) 17.149 3.435 ( -1.727 -1.321 0.000) 2.174 3.586 ( -8.286 -13.815 0.000) 16.110 3.612 ( 3.144 3.587 0.000) 4.770 3.754 ( -0.238 -0.491 0.000) 0.546 3.910 ( -2.952 -5.614 0.000) 6.343 3.950 ( 7.742 2.267 0.000) 8.067 4.057 ( -1.142 7.978 0.000) 8.059 4.075 ( -5.373 5.955 0.000) 8.021 4.271 ( 10.479 0.476 0.000) 10.490 4.280 ( 1.891 6.528 0.000) 6.796 4.419 ( -3.768 -1.086 0.000) 3.921 4.607 ( 5.864 -8.664 0.000) 10.462 4.652 ( -9.654 -6.493 0.000) 11.635 4.702 ( -3.943 1.890 0.000) 4.373 4.818 ( 3.671 -5.409 0.000) 6.537 4.912 ( 6.730 6.723 0.000) 9.512 4.974 ( 3.462 6.081 0.000) 6.998 5.166 ( -9.261 -4.806 0.000) 10.434 5.273 ( 0.410 1.161 0.000) 1.231 5.318 ( -6.879 -0.332 0.000) 6.887 5.399 ( 6.673 1.471 0.000) 6.833 5.576 ( -0.088 -7.830 0.000) 7.831 5.731 ( -11.606 -2.955 0.000) 11.976 5.832 ( 3.213 -5.948 0.000) 6.760 5.849 ( 4.259 5.263 0.000) 6.771 5.868 ( -3.992 -0.316 0.000) 4.004 6.001 ( 1.441 -2.264 0.000) 2.684 6.049 ( -5.339 -0.909 0.000) 5.416 6.109 ( 0.156 0.299 0.000) 0.337 6.219 ( 4.491 -3.095 0.000) 5.454 6.353 ( -0.217 0.013 0.000) 0.217 6.426 ( -5.670 -12.493 0.000) 13.720 6.567 ( -2.994 -4.866 0.000) 5.713 6.593 ( -7.230 -7.605 0.000) 10.493 6.648 ( -4.076 -7.818 0.000) 8.816 6.711 ( -4.308 -4.530 0.000) 6.252 6.761 ( -1.555 -6.264 0.000) 6.455 6.826 ( 0.058 2.893 0.000) 2.893 6.972 ( 1.793 -0.111 0.000) 1.797 7.098 ( 1.043 2.732 0.000) 2.924 7.307 ( 1.121 -0.263 0.000) 1.152 7.552 ( 3.163 5.522 0.000) 6.364 7.560 ( -1.116 -1.613 0.000) 1.961 7.635 ( 2.840 5.951 0.000) 6.595 7.749 ( 2.060 7.207 0.000) 7.496 7.817 ( -3.438 -6.040 0.000) 6.950 7.925 ( -2.261 -0.700 0.000) 2.367 7.977 ( 1.576 -1.312 0.000) 2.051 8.157 ( 0.189 0.333 0.000) 0.383 8.287 ( -2.147 -1.736 0.000) 2.761 8.302 ( -1.945 0.225 0.000) 1.958 8.334 ( 1.558 -3.382 0.000) 3.723 8.430 ( -1.345 3.722 0.000) 3.957 8.458 ( 2.990 1.560 0.000) 3.373 8.589 ( 0.082 0.137 0.000) 0.159 8.676 ( 10.598 10.769 0.000) 15.109 8.993 ( 4.881 13.584 0.000) 14.435 9.430 ( 4.546 8.104 0.000) 9.292 9.746 ( -0.856 -1.441 0.000) 1.675 10.173 ( -7.193 -13.148 0.000) 14.987 11.963 ( -0.356 -0.657 0.000) 0.747 12.012 ( -0.823 -0.702 0.000) 1.082 12.017 ( 0.023 -0.648 0.000) 0.648 12.484 ( 0.667 1.161 0.000) 1.339 12.675 ( 5.289 9.159 0.000) 10.576 12.676 ( 1.366 -2.930 0.000) 3.233 12.718 ( -2.903 0.266 0.000) 2.916 12.822 ( -3.871 -6.646 0.000) 7.691 13.372 ( -4.231 -7.329 0.000) 8.462 13.375 ( -0.176 -0.317 0.000) 0.363 13.635 ( 4.555 7.993 0.000) 9.200 13.949 ( -0.372 -0.729 0.000) 0.818 15.801 ( 0.269 0.466 0.000) 0.538 15.843 ( -0.278 -0.478 0.000) 0.553 15.846 ( -0.161 -0.281 0.000) 0.324 16.006 ( -0.355 -0.754 0.000) 0.833 16.031 ( -0.979 -2.351 0.000) 2.546 16.145 ( -1.762 -0.230 0.000) 1.777 16.205 ( 3.548 0.064 0.000) 3.548 16.250 ( -0.863 2.602 0.000) 2.741 16.424 ( -1.522 -2.794 0.000) 3.181 16.827 ( -0.041 -0.072 0.000) 0.083 16.910 ( 2.125 3.682 0.000) 4.251 17.196 ( -1.571 -2.721 0.000) 3.142 17.239 ( -0.987 -1.798 0.000) 2.052 17.632 ( 0.101 -0.785 0.000) 0.791 17.728 ( -3.643 0.325 0.000) 3.658 17.739 ( 1.587 1.012 0.000) 1.882 17.868 ( 2.427 -1.991 0.000) 3.140 17.996 ( 1.407 4.809 0.000) 5.010 27.558 ( -0.441 -0.780 0.000) 0.896 27.563 ( -0.683 -1.171 0.000) 1.355 27.652 ( -0.561 -0.959 0.000) 1.111 27.726 ( 0.836 1.398 0.000) 1.629 27.769 ( 0.255 0.289 0.000) 0.386 27.772 ( 0.115 0.402 0.000) 0.418 29.246 ( -0.496 -0.566 0.000) 0.752 29.331 ( 2.011 3.140 0.000) 3.729 29.591 ( -2.038 -3.380 0.000) 3.947 29.657 ( 0.886 1.534 0.000) 1.772 29.828 ( -1.575 -2.688 0.000) 3.115 29.830 ( -1.472 -2.590 0.000) 2.979 29.852 ( 2.068 4.057 0.000) 4.554 30.029 ( 3.032 4.009 0.000) 5.026 30.102 ( 2.153 3.764 0.000) 4.336 30.104 ( 2.247 3.859 0.000) 4.465 30.438 ( -2.382 -4.125 0.000) 4.763 30.742 ( -7.036 -10.458 0.000) 12.604 31.241 ( 2.665 1.031 0.000) 2.858 31.291 ( 1.299 4.686 0.000) 4.863 31.578 ( -0.849 -1.386 0.000) 1.625 32.082 ( 3.779 6.516 0.000) 7.532 32.947 ( -0.001 0.092 0.000) 0.092 33.422 ( -3.414 -5.972 0.000) 6.879 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -3.360 1.270 0.000) 3.592 1.633 ( 13.928 19.609 0.000) 24.052 1.808 ( 16.578 27.149 0.000) 31.810 2.168 ( -12.030 -2.460 0.000) 12.279 2.181 ( -18.361 -0.643 0.000) 18.372 2.373 ( 3.493 8.263 0.000) 8.971 2.535 ( -1.746 -3.644 0.000) 4.041 2.747 ( 11.415 -4.260 0.000) 12.184 2.886 ( 12.099 -4.356 0.000) 12.859 2.998 ( 16.958 3.004 0.000) 17.222 3.069 ( 1.831 0.360 0.000) 1.866 3.225 ( -14.338 -12.137 0.000) 18.786 3.307 ( 6.630 6.958 0.000) 9.612 3.455 ( -3.097 5.749 0.000) 6.530 3.641 ( -4.444 -0.984 0.000) 4.552 3.680 ( 1.511 -16.099 0.000) 16.170 3.804 ( -0.987 3.560 0.000) 3.694 3.879 ( -2.407 -0.634 0.000) 2.489 4.168 ( -1.232 12.728 0.000) 12.787 4.232 ( 0.913 7.910 0.000) 7.963 4.346 ( -4.088 5.176 0.000) 6.596 4.413 ( -1.565 4.652 0.000) 4.908 4.415 ( 0.272 -2.472 0.000) 2.487 4.470 ( 0.404 -1.582 0.000) 1.633 4.525 ( -5.597 -7.716 0.000) 9.532 4.650 ( 3.150 -4.325 0.000) 5.350 4.796 ( 1.543 -0.645 0.000) 1.673 5.050 ( -1.217 4.350 0.000) 4.517 5.084 ( 3.994 -8.155 0.000) 9.081 5.099 ( 5.016 4.050 0.000) 6.447 5.278 ( 0.050 2.589 0.000) 2.590 5.309 ( 0.269 4.252 0.000) 4.261 5.356 ( -4.037 -1.795 0.000) 4.418 5.535 ( -0.794 -0.293 0.000) 0.846 5.631 ( -3.619 7.098 0.000) 7.968 5.686 ( -1.829 -10.575 0.000) 10.731 5.790 ( -2.228 -6.627 0.000) 6.992 5.920 ( 0.030 -5.819 0.000) 5.819 5.953 ( 1.481 3.892 0.000) 4.164 6.131 ( 0.308 0.618 0.000) 0.690 6.151 ( 5.271 6.654 0.000) 8.489 6.199 ( -9.122 -0.842 0.000) 9.161 6.308 ( 5.474 -3.093 0.000) 6.288 6.316 ( -2.470 -1.372 0.000) 2.826 6.404 ( -7.052 -0.891 0.000) 7.108 6.422 ( -5.106 -6.189 0.000) 8.024 6.545 ( 0.304 -5.204 0.000) 5.213 6.600 ( 1.986 -8.367 0.000) 8.600 6.731 ( 5.054 -10.078 0.000) 11.274 6.842 ( -2.978 6.701 0.000) 7.333 7.040 ( 5.363 -0.588 0.000) 5.395 7.095 ( -1.908 -2.374 0.000) 3.046 7.323 ( -1.300 2.587 0.000) 2.895 7.539 ( -1.049 1.690 0.000) 1.989 7.630 ( -0.066 3.743 0.000) 3.744 7.713 ( -0.974 -5.309 0.000) 5.398 7.728 ( 0.585 5.745 0.000) 5.774 7.813 ( -0.116 5.386 0.000) 5.387 7.915 ( 0.179 -1.408 0.000) 1.420 7.964 ( 0.950 -3.844 0.000) 3.960 8.176 ( 0.524 1.451 0.000) 1.542 8.248 ( -1.288 0.490 0.000) 1.378 8.257 ( -1.402 -1.330 0.000) 1.932 8.334 ( 0.992 -2.423 0.000) 2.618 8.452 ( -1.228 4.445 0.000) 4.611 8.512 ( 1.593 0.757 0.000) 1.764 8.582 ( -0.061 -1.220 0.000) 1.221 8.916 ( 1.393 9.194 0.000) 9.299 9.208 ( 11.210 0.852 0.000) 11.243 9.577 ( 2.585 5.852 0.000) 6.398 9.732 ( 1.773 1.206 0.000) 2.144 9.891 ( -11.698 -8.551 0.000) 14.490 11.953 ( -0.180 -0.283 0.000) 0.335 11.993 ( -0.660 0.063 0.000) 0.663 12.015 ( 0.463 -0.893 0.000) 1.006 12.503 ( 0.029 1.037 0.000) 1.037 12.653 ( -2.391 0.128 0.000) 2.394 12.698 ( 2.543 -2.516 0.000) 3.577 12.717 ( -2.159 -2.826 0.000) 3.557 12.867 ( 5.108 8.095 0.000) 9.572 13.208 ( -4.477 -7.553 0.000) 8.780 13.370 ( -0.204 0.057 0.000) 0.212 13.779 ( 3.572 5.127 0.000) 6.248 13.916 ( -1.946 -1.617 0.000) 2.530 15.812 ( 0.296 0.472 0.000) 0.557 15.832 ( -0.309 -0.456 0.000) 0.550 15.841 ( -0.069 -0.162 0.000) 0.176 15.993 ( -0.162 -0.588 0.000) 0.610 15.998 ( -0.886 -0.811 0.000) 1.201 16.125 ( 0.597 -1.462 0.000) 1.579 16.242 ( -2.362 2.536 0.000) 3.466 16.280 ( 4.044 0.587 0.000) 4.087 16.364 ( -1.934 -2.841 0.000) 3.437 16.826 ( 0.075 -0.211 0.000) 0.223 16.987 ( 1.711 3.658 0.000) 4.038 17.135 ( -1.533 -3.009 0.000) 3.377 17.215 ( -0.447 -0.376 0.000) 0.584 17.613 ( -1.979 1.357 0.000) 2.400 17.704 ( 1.287 -1.535 0.000) 2.003 17.770 ( 0.298 1.330 0.000) 1.362 17.872 ( 1.634 -4.256 0.000) 4.559 18.055 ( -0.435 4.609 0.000) 4.629 27.545 ( -0.356 -0.311 0.000) 0.473 27.547 ( -0.163 -0.429 0.000) 0.459 27.636 ( -0.167 -0.717 0.000) 0.737 27.749 ( 0.257 1.016 0.000) 1.048 27.773 ( 0.004 -0.007 0.000) 0.008 27.777 ( 0.188 0.022 0.000) 0.190 29.238 ( 0.708 -1.407 0.000) 1.575 29.393 ( 0.468 3.951 0.000) 3.979 29.525 ( -1.450 -2.648 0.000) 3.019 29.697 ( 1.736 2.012 0.000) 2.658 29.758 ( -3.270 -1.029 0.000) 3.428 29.807 ( 1.010 -2.886 0.000) 3.058 29.907 ( -2.618 7.432 0.000) 7.880 30.137 ( -1.507 4.429 0.000) 4.679 30.159 ( 8.054 -0.263 0.000) 8.058 30.218 ( 5.940 1.907 0.000) 6.238 30.338 ( -3.980 -4.556 0.000) 6.050 30.514 ( -5.542 -9.243 0.000) 10.777 31.259 ( -2.210 3.819 0.000) 4.412 31.398 ( 5.195 2.018 0.000) 5.573 31.525 ( -2.399 -3.087 0.000) 3.910 32.199 ( 2.315 3.682 0.000) 4.349 32.960 ( -1.709 4.972 0.000) 5.257 33.304 ( -0.354 -8.242 0.000) 8.250 ======================= Grid point 10 (7/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 1.294 3.174 0.000) 3.428 1.651 ( -24.875 -3.362 0.000) 25.101 1.735 ( -29.269 2.470 0.000) 29.373 2.054 ( 2.239 9.153 0.000) 9.423 2.316 ( 8.999 15.807 0.000) 18.189 2.500 ( -2.514 5.459 0.000) 6.010 2.580 ( 9.524 -1.513 0.000) 9.644 2.704 ( 8.346 -15.790 0.000) 17.860 2.803 ( -5.665 -14.122 0.000) 15.216 2.930 ( -29.984 -10.780 0.000) 31.863 3.057 ( -5.064 -0.431 0.000) 5.082 3.219 ( 18.590 5.122 0.000) 19.282 3.367 ( -1.919 -5.093 0.000) 5.442 3.476 ( 0.715 5.600 0.000) 5.645 3.600 ( -1.509 3.977 0.000) 4.254 3.690 ( 11.402 -7.438 0.000) 13.614 3.827 ( 1.376 -0.303 0.000) 1.409 3.888 ( 0.059 1.870 0.000) 1.871 4.245 ( -4.985 14.141 0.000) 14.994 4.279 ( -3.155 3.467 0.000) 4.688 4.281 ( -11.259 -2.870 0.000) 11.619 4.333 ( -4.357 3.058 0.000) 5.323 4.378 ( 5.280 -0.439 0.000) 5.298 4.478 ( 1.487 5.077 0.000) 5.290 4.549 ( 4.497 -4.261 0.000) 6.195 4.712 ( 5.341 -5.021 0.000) 7.330 4.736 ( -1.584 -0.776 0.000) 1.764 5.017 ( -6.170 3.333 0.000) 7.013 5.056 ( 2.275 -3.245 0.000) 3.963 5.103 ( -5.179 -1.362 0.000) 5.355 5.298 ( 5.831 -3.727 0.000) 6.920 5.314 ( -3.491 1.708 0.000) 3.886 5.403 ( 2.270 1.807 0.000) 2.901 5.584 ( -10.254 4.416 0.000) 11.165 5.665 ( 7.833 3.931 0.000) 8.764 5.682 ( 3.587 -1.201 0.000) 3.783 5.699 ( 10.984 -4.125 0.000) 11.733 5.960 ( -3.372 0.473 0.000) 3.405 5.979 ( 9.770 -4.739 0.000) 10.858 6.124 ( -9.827 -0.199 0.000) 9.829 6.127 ( -2.737 2.841 0.000) 3.945 6.136 ( 0.154 3.200 0.000) 3.203 6.287 ( -0.180 0.392 0.000) 0.431 6.317 ( 2.540 1.122 0.000) 2.777 6.433 ( 7.752 1.327 0.000) 7.865 6.436 ( 5.997 2.656 0.000) 6.559 6.541 ( 4.105 -2.958 0.000) 5.060 6.619 ( 7.439 -6.096 0.000) 9.618 6.720 ( 5.317 -9.434 0.000) 10.829 6.857 ( -3.507 6.416 0.000) 7.312 7.011 ( -2.339 -4.459 0.000) 5.035 7.109 ( 2.463 -0.533 0.000) 2.520 7.314 ( -2.488 2.864 0.000) 3.794 7.543 ( -0.764 1.673 0.000) 1.840 7.622 ( -3.356 1.810 0.000) 3.813 7.711 ( 5.060 -1.807 0.000) 5.373 7.758 ( -4.666 1.289 0.000) 4.841 7.828 ( -3.542 4.450 0.000) 5.687 7.902 ( 2.442 -2.527 0.000) 3.515 7.957 ( 1.542 -2.194 0.000) 2.682 8.175 ( -1.498 0.277 0.000) 1.524 8.252 ( 0.613 1.337 0.000) 1.471 8.264 ( 2.641 0.561 0.000) 2.700 8.320 ( -0.017 -1.643 0.000) 1.643 8.464 ( -1.998 3.291 0.000) 3.850 8.506 ( -1.891 -1.449 0.000) 2.383 8.582 ( 1.072 -0.548 0.000) 1.204 8.878 ( -11.013 3.214 0.000) 11.472 9.241 ( -4.503 -8.992 0.000) 10.056 9.608 ( -8.243 -1.550 0.000) 8.387 9.701 ( 0.903 1.563 0.000) 1.805 9.888 ( 12.050 5.654 0.000) 13.311 11.953 ( 0.315 0.022 0.000) 0.316 11.994 ( 0.359 0.641 0.000) 0.735 12.014 ( 0.476 -0.892 0.000) 1.011 12.503 ( -0.910 0.492 0.000) 1.035 12.637 ( -0.154 1.432 0.000) 1.440 12.705 ( 2.722 -1.524 0.000) 3.119 12.726 ( 2.978 -0.787 0.000) 3.081 12.867 ( -9.565 -0.376 0.000) 9.572 13.208 ( 8.780 0.100 0.000) 8.780 13.370 ( 0.048 0.207 0.000) 0.213 13.780 ( -6.196 -0.571 0.000) 6.222 13.915 ( 2.354 0.913 0.000) 2.525 15.812 ( -0.557 -0.020 0.000) 0.557 15.832 ( 0.550 0.039 0.000) 0.551 15.841 ( 0.174 -0.022 0.000) 0.175 15.991 ( 0.583 -0.056 0.000) 0.585 15.996 ( 0.847 0.342 0.000) 0.913 16.133 ( 1.860 -1.670 0.000) 2.500 16.219 ( -2.810 2.474 0.000) 3.744 16.304 ( -1.867 -2.488 0.000) 3.111 16.357 ( 3.923 0.734 0.000) 3.991 16.826 ( 0.145 -0.170 0.000) 0.223 16.987 ( -4.023 0.347 0.000) 4.038 17.135 ( 3.372 -0.177 0.000) 3.377 17.215 ( 0.516 0.210 0.000) 0.557 17.611 ( -0.323 2.185 0.000) 2.209 17.719 ( 2.116 -2.020 0.000) 2.925 17.771 ( -1.454 0.588 0.000) 1.568 17.854 ( 1.103 -3.028 0.000) 3.222 18.061 ( -3.104 2.316 0.000) 3.872 27.544 ( 0.435 0.145 0.000) 0.458 27.547 ( 0.465 -0.065 0.000) 0.469 27.636 ( 0.710 -0.216 0.000) 0.742 27.749 ( -1.026 0.290 0.000) 1.067 27.773 ( -0.050 -0.008 0.000) 0.051 27.778 ( -0.041 -0.157 0.000) 0.162 29.239 ( 0.972 -1.371 0.000) 1.681 29.391 ( -3.775 1.645 0.000) 4.118 29.526 ( 3.072 -0.105 0.000) 3.074 29.697 ( -2.610 -0.497 0.000) 2.657 29.758 ( 2.527 2.318 0.000) 3.429 29.807 ( 1.993 -2.319 0.000) 3.058 29.910 ( -5.037 6.180 0.000) 7.973 30.137 ( -3.082 3.520 0.000) 4.678 30.147 ( -4.150 -6.938 0.000) 8.084 30.218 ( -4.622 -4.191 0.000) 6.239 30.338 ( 5.936 1.168 0.000) 6.049 30.526 ( 11.337 -0.291 0.000) 11.341 31.254 ( -2.770 3.874 0.000) 4.762 31.399 ( -4.128 -3.356 0.000) 5.320 31.526 ( 3.880 0.471 0.000) 3.909 32.198 ( -4.363 -0.156 0.000) 4.366 32.961 ( -3.412 3.956 0.000) 5.224 33.304 ( 7.294 -3.813 0.000) 8.231 ======================= Grid point 15 (8/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -0.000 -0.000 0.000) 0.000 1.995 ( -6.075 -12.149 0.000) 13.583 1.995 ( 6.075 12.149 0.000) 13.583 2.261 ( -3.715 -7.429 0.000) 8.306 2.261 ( 3.715 7.429 0.000) 8.306 2.370 ( 0.000 0.000 0.000) 0.000 2.444 ( -0.000 -0.000 0.000) 0.000 2.686 ( -5.813 -11.626 0.000) 12.998 2.686 ( 5.813 11.626 0.000) 12.998 2.919 ( -0.000 -0.000 0.000) 0.000 3.105 ( -0.000 -0.000 0.000) 0.000 3.363 ( -6.930 -13.859 0.000) 15.495 3.363 ( 6.930 13.859 0.000) 15.495 3.478 ( -1.297 -2.594 0.000) 2.901 3.478 ( 1.297 2.594 0.000) 2.901 3.512 ( -0.000 -0.000 0.000) 0.000 3.842 ( -0.000 -0.000 0.000) 0.000 4.012 ( 0.000 -0.000 0.000) 0.000 4.292 ( -0.659 -1.317 0.000) 1.473 4.292 ( 0.659 1.317 0.000) 1.473 4.405 ( -2.237 -4.473 0.000) 5.001 4.405 ( 2.237 4.473 0.000) 5.001 4.442 ( -2.202 -4.404 0.000) 4.924 4.442 ( 2.202 4.404 0.000) 4.924 4.477 ( -0.000 -0.000 0.000) 0.000 4.562 ( 0.000 -0.000 0.000) 0.000 4.877 ( -4.877 -9.754 0.000) 10.906 4.877 ( 4.877 9.754 0.000) 10.906 5.126 ( -0.907 -1.814 0.000) 2.028 5.126 ( 0.907 1.814 0.000) 2.028 5.350 ( -1.952 -3.904 0.000) 4.365 5.350 ( 1.952 3.904 0.000) 4.365 5.460 ( -4.847 -9.693 0.000) 10.837 5.460 ( 4.847 9.693 0.000) 10.837 5.526 ( -0.000 -0.000 0.000) 0.000 5.713 ( -0.000 -0.000 0.000) 0.000 5.772 ( -3.468 -6.936 0.000) 7.755 5.772 ( 3.468 6.936 0.000) 7.755 5.998 ( -0.000 -0.000 0.000) 0.000 6.167 ( -0.000 0.000 0.000) 0.000 6.211 ( -0.528 -1.056 0.000) 1.180 6.211 ( 0.528 1.056 0.000) 1.180 6.291 ( -0.000 -0.000 0.000) 0.000 6.291 ( -3.404 -6.808 0.000) 7.612 6.291 ( 3.404 6.808 0.000) 7.612 6.460 ( -2.309 -4.619 0.000) 5.164 6.460 ( 2.309 4.619 0.000) 5.164 6.492 ( -0.000 -0.000 0.000) 0.000 6.604 ( 0.000 -0.000 0.000) 0.000 6.982 ( -2.495 -4.990 0.000) 5.579 6.982 ( 2.495 4.990 0.000) 5.579 7.049 ( -0.000 -0.000 0.000) 0.000 7.356 ( -0.000 -0.000 0.000) 0.000 7.607 ( -2.113 -4.225 0.000) 4.724 7.607 ( 2.113 4.225 0.000) 4.724 7.727 ( -2.371 -4.742 0.000) 5.301 7.727 ( 2.371 4.742 0.000) 5.301 7.895 ( 0.000 -0.000 0.000) 0.000 7.902 ( -1.143 -2.286 0.000) 2.556 7.902 ( 1.143 2.286 0.000) 2.556 8.215 ( -1.089 -2.178 0.000) 2.435 8.215 ( 1.089 2.178 0.000) 2.435 8.255 ( -0.000 -0.000 0.000) 0.000 8.314 ( -0.000 -0.000 0.000) 0.000 8.517 ( -0.255 -0.510 0.000) 0.570 8.517 ( 0.255 0.510 0.000) 0.570 8.554 ( -0.000 -0.000 0.000) 0.000 9.112 ( -4.528 -9.057 0.000) 10.126 9.112 ( 4.528 9.057 0.000) 10.126 9.645 ( -0.000 -0.000 0.000) 0.000 9.776 ( -1.478 -2.956 0.000) 3.305 9.776 ( 1.478 2.956 0.000) 3.305 11.950 ( -0.000 -0.000 0.000) 0.000 11.999 ( -0.242 -0.484 0.000) 0.541 11.999 ( 0.242 0.484 0.000) 0.541 12.515 ( -0.000 -0.000 0.000) 0.000 12.666 ( 0.000 -0.000 0.000) 0.000 12.672 ( -0.643 -1.286 0.000) 1.438 12.672 ( 0.643 1.286 0.000) 1.438 13.040 ( -4.006 -8.011 0.000) 8.957 13.040 ( 4.006 8.011 0.000) 8.957 13.371 ( -0.000 -0.000 0.000) 0.000 13.867 ( -1.549 -3.098 0.000) 3.464 13.867 ( 1.549 3.098 0.000) 3.464 15.822 ( -0.237 -0.474 0.000) 0.530 15.822 ( 0.237 0.474 0.000) 0.530 15.839 ( -0.000 -0.000 0.000) 0.000 15.988 ( -0.088 -0.176 0.000) 0.197 15.988 ( 0.088 0.176 0.000) 0.196 16.105 ( -0.000 -0.000 0.000) 0.000 16.296 ( -0.982 -1.964 0.000) 2.195 16.296 ( 0.982 1.964 0.000) 2.195 16.298 ( -0.000 -0.000 0.000) 0.000 16.823 ( -0.000 -0.000 0.000) 0.000 17.065 ( -1.752 -3.504 0.000) 3.917 17.065 ( 1.752 3.504 0.000) 3.917 17.212 ( -0.000 -0.000 0.000) 0.000 17.656 ( -1.281 -2.563 0.000) 2.865 17.656 ( 1.281 2.563 0.000) 2.865 17.808 ( -1.023 -2.045 0.000) 2.287 17.808 ( 1.023 2.045 0.000) 2.287 18.102 ( -0.000 -0.000 0.000) 0.000 27.542 ( -0.025 -0.050 0.000) 0.056 27.542 ( 0.025 0.050 0.000) 0.056 27.628 ( -0.000 -0.000 0.000) 0.000 27.767 ( -0.292 -0.584 0.000) 0.653 27.767 ( 0.292 0.584 0.000) 0.653 27.777 ( -0.000 -0.000 0.000) 0.000 29.224 ( -0.000 -0.000 0.000) 0.000 29.466 ( -1.490 -2.980 0.000) 3.331 29.466 ( 1.490 2.980 0.000) 3.331 29.739 ( -0.000 -0.000 0.000) 0.000 29.751 ( -0.708 -1.415 0.000) 1.582 29.751 ( 0.708 1.415 0.000) 1.582 30.078 ( -3.452 -6.904 0.000) 7.719 30.078 ( 3.452 6.904 0.000) 7.719 30.230 ( -0.000 0.000 0.000) 0.000 30.241 ( -1.391 -2.781 0.000) 3.109 30.241 ( 1.391 2.781 0.000) 3.109 30.400 ( -0.000 -0.000 0.000) 0.000 31.309 ( -0.000 -0.000 0.000) 0.000 31.452 ( -1.663 -3.326 0.000) 3.719 31.452 ( 1.663 3.326 0.000) 3.719 32.239 ( 0.000 0.000 0.000) 0.000 33.114 ( -4.359 -8.719 0.000) 9.748 33.114 ( 4.359 8.719 0.000) 9.748 ======================= Grid point 43 (9/40) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 -0.000 36.038) 36.038 0.687 ( 0.000 0.000 36.038) 36.038 1.386 ( 0.000 0.000 69.704) 69.704 1.542 ( 0.000 0.000 52.668) 52.668 2.304 ( 0.000 -0.000 3.316) 3.316 2.304 ( 0.000 -0.000 3.316) 3.316 2.447 ( 0.000 0.000 -2.517) 2.517 2.447 ( 0.000 0.000 -2.517) 2.517 2.762 ( -0.000 0.000 2.431) 2.431 2.817 ( -0.000 0.000 7.134) 7.134 2.817 ( -0.000 0.000 7.134) 7.134 3.413 ( 0.000 0.000 -5.004) 5.004 3.413 ( -0.000 -0.000 -5.004) 5.004 3.503 ( -0.000 0.000 9.895) 9.895 3.555 ( 0.000 0.000 -0.529) 0.529 3.878 ( -0.000 0.000 4.316) 4.316 3.878 ( 0.000 0.000 4.316) 4.316 4.051 ( -0.000 0.000 1.474) 1.474 4.051 ( -0.000 0.000 1.474) 1.474 4.181 ( 0.000 -0.000 5.265) 5.265 4.181 ( -0.000 -0.000 5.265) 5.265 4.423 ( 0.000 -0.000 -2.093) 2.093 4.617 ( -0.000 0.000 8.183) 8.183 4.617 ( 0.000 0.000 8.183) 8.183 4.679 ( 0.000 0.000 -5.146) 5.146 4.679 ( 0.000 0.000 -5.146) 5.146 4.754 ( 0.000 0.000 0.941) 0.941 4.822 ( -0.000 0.000 4.596) 4.596 4.893 ( 0.000 0.000 12.614) 12.614 5.125 ( 0.000 0.000 4.068) 4.068 5.125 ( 0.000 -0.000 4.068) 4.068 5.539 ( 0.000 0.000 11.793) 11.793 5.572 ( -0.000 -0.000 -6.770) 6.770 5.572 ( -0.000 0.000 -6.770) 6.770 5.786 ( -0.000 0.000 5.058) 5.058 5.786 ( -0.000 0.000 5.058) 5.058 5.937 ( 0.000 0.000 -3.026) 3.026 5.937 ( 0.000 -0.000 -3.026) 3.026 5.955 ( 0.000 0.000 -5.717) 5.717 6.038 ( -0.000 0.000 0.672) 0.672 6.320 ( 0.000 0.000 -1.781) 1.781 6.320 ( 0.000 0.000 -1.781) 1.781 6.351 ( 0.000 0.000 3.033) 3.033 6.466 ( -0.000 0.000 -9.491) 9.491 6.575 ( 0.000 0.000 -6.758) 6.758 6.575 ( 0.000 0.000 -6.758) 6.758 6.731 ( 0.000 0.000 -5.063) 5.063 6.731 ( 0.000 0.000 -5.063) 5.063 6.885 ( 0.000 0.000 1.966) 1.966 6.984 ( -0.000 0.000 0.155) 0.155 6.984 ( 0.000 0.000 0.155) 0.155 7.105 ( -0.000 -0.000 9.165) 9.165 7.105 ( -0.000 0.000 9.165) 9.165 7.134 ( 0.000 0.000 -7.790) 7.790 7.433 ( 0.000 -0.000 -1.557) 1.557 7.532 ( 0.000 -0.000 -0.032) 0.032 7.532 ( 0.000 0.000 -0.032) 0.032 7.533 ( 0.000 0.000 -7.156) 7.156 7.960 ( 0.000 0.000 0.688) 0.688 8.167 ( 0.000 -0.000 -8.898) 8.898 8.167 ( 0.000 0.000 -8.898) 8.898 8.168 ( 0.000 0.000 -0.490) 0.490 8.278 ( 0.000 0.000 -2.069) 2.069 8.278 ( 0.000 0.000 -2.069) 2.069 8.508 ( 0.000 0.000 -5.518) 5.518 8.608 ( -0.000 0.000 9.455) 9.455 8.608 ( -0.000 0.000 9.455) 9.455 8.646 ( 0.000 0.000 -0.615) 0.615 8.646 ( 0.000 0.000 -0.615) 0.615 9.166 ( 0.000 0.000 -8.437) 8.437 9.744 ( -0.000 0.000 -2.230) 2.230 10.445 ( 0.000 0.000 -9.083) 9.083 12.063 ( 0.000 0.000 8.391) 8.391 12.070 ( -0.000 0.000 3.359) 3.359 12.070 ( -0.000 0.000 3.359) 3.359 12.451 ( 0.000 -0.000 -0.382) 0.382 12.451 ( 0.000 0.000 -0.382) 0.382 12.750 ( 0.000 0.000 1.989) 1.989 12.750 ( 0.000 0.000 1.989) 1.989 13.080 ( 0.000 0.000 1.646) 1.646 13.341 ( -0.000 -0.000 -3.195) 3.195 13.341 ( 0.000 0.000 -3.195) 3.195 13.620 ( 0.000 -0.000 -3.449) 3.449 13.921 ( -0.000 0.000 -3.051) 3.051 15.824 ( 0.000 -0.000 -2.357) 2.357 15.824 ( -0.000 0.000 -2.357) 2.357 16.028 ( 0.000 0.000 0.640) 0.640 16.028 ( 0.000 -0.000 0.640) 0.640 16.119 ( 0.000 0.000 1.224) 1.224 16.218 ( 0.000 0.000 2.795) 2.795 16.218 ( 0.000 0.000 2.795) 2.795 16.412 ( -0.000 0.000 -5.558) 5.558 16.787 ( 0.000 0.000 -4.193) 4.193 16.787 ( 0.000 -0.000 -4.193) 4.193 16.831 ( -0.000 -0.000 7.542) 7.542 17.248 ( -0.000 0.000 -0.635) 0.635 17.331 ( -0.000 0.000 1.852) 1.852 17.331 ( -0.000 -0.000 1.852) 1.852 17.616 ( 0.000 0.000 1.398) 1.398 17.729 ( -0.000 0.000 0.243) 0.243 17.837 ( 0.000 0.000 -2.367) 2.367 17.837 ( -0.000 0.000 -2.367) 2.367 27.583 ( 0.000 0.000 0.174) 0.174 27.609 ( -0.000 0.000 0.066) 0.066 27.677 ( 0.000 0.000 0.407) 0.407 27.677 ( 0.000 0.000 0.407) 0.407 27.758 ( 0.000 0.000 -0.094) 0.094 27.758 ( 0.000 0.000 -0.094) 0.094 29.253 ( -0.000 0.000 -0.497) 0.497 29.253 ( 0.000 -0.000 -0.497) 0.497 29.685 ( 0.000 0.000 -0.365) 0.365 29.731 ( 0.000 0.000 -3.907) 3.907 29.749 ( 0.000 0.000 -9.570) 9.570 29.749 ( 0.000 0.000 -9.570) 9.570 30.011 ( -0.000 0.000 5.720) 5.720 30.011 ( 0.000 0.000 5.720) 5.720 30.103 ( 0.000 0.000 8.038) 8.038 30.103 ( 0.000 0.000 8.038) 8.038 30.623 ( -0.000 0.000 9.471) 9.471 31.199 ( 0.000 0.000 1.192) 1.192 31.199 ( 0.000 0.000 1.192) 1.192 31.577 ( 0.000 0.000 -0.889) 0.889 31.577 ( 0.000 0.000 -0.889) 0.889 31.832 ( -0.000 0.000 -6.869) 6.869 32.099 ( -0.000 0.000 6.206) 6.206 33.464 ( 0.000 0.000 -8.362) 8.362 ======================= Grid point 44 (10/40) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 16.266 8.928 24.317) 30.587 0.999 ( 21.926 13.458 24.274) 35.371 1.384 ( -6.626 -3.928 53.960) 54.507 1.838 ( 30.117 17.008 49.992) 60.790 2.256 ( -5.049 2.543 5.291) 7.743 2.314 ( 5.195 -3.162 3.905) 7.227 2.548 ( 2.443 3.350 -0.396) 4.165 2.586 ( 7.430 3.699 0.914) 8.350 2.716 ( 0.929 -0.573 4.638) 4.765 2.930 ( 9.085 1.334 5.273) 10.589 2.954 ( 2.603 6.375 3.390) 7.675 3.315 ( -5.915 -2.136 -2.413) 6.736 3.433 ( 1.139 -1.474 -4.809) 5.157 3.519 ( -1.936 -5.046 1.747) 5.680 3.657 ( 7.411 11.347 -1.407) 13.626 3.811 ( 1.189 -6.683 4.266) 8.017 3.842 ( -5.861 2.435 5.163) 8.182 4.042 ( -1.515 1.189 0.905) 2.128 4.085 ( 2.812 -3.755 3.097) 5.622 4.210 ( -8.784 -1.425 8.032) 11.988 4.226 ( 4.442 1.443 4.889) 6.761 4.303 ( 4.191 2.849 6.651) 8.362 4.467 ( -4.700 -5.487 -1.106) 7.309 4.641 ( -5.072 3.347 -2.536) 6.584 4.695 ( 3.909 -2.411 -2.405) 5.184 4.748 ( 3.765 2.110 -2.903) 5.201 4.774 ( -2.361 -4.744 4.568) 6.996 4.847 ( -3.792 4.920 2.463) 6.682 4.990 ( 8.587 2.382 7.981) 11.963 5.190 ( 6.006 0.771 4.883) 7.779 5.265 ( 8.118 6.808 3.441) 11.140 5.460 ( -4.044 -2.631 11.544) 12.512 5.495 ( -10.429 -5.497 -1.992) 11.956 5.588 ( -2.538 -1.446 -6.563) 7.184 5.752 ( 0.654 1.201 0.929) 1.654 5.786 ( 0.214 -0.905 -0.100) 0.935 5.859 ( -3.528 -3.429 0.966) 5.013 5.884 ( -1.540 -0.823 -1.746) 2.469 5.983 ( 0.271 1.129 -5.416) 5.539 6.063 ( 1.344 0.555 -1.888) 2.383 6.172 ( -8.580 -5.000 -0.677) 9.954 6.262 ( -3.883 -1.763 1.010) 4.383 6.331 ( 0.346 0.397 -1.801) 1.876 6.494 ( -1.928 -0.435 -7.764) 8.012 6.585 ( -8.675 -5.093 -4.391) 10.976 6.600 ( -0.181 -0.099 -9.157) 9.159 6.636 ( 0.105 -0.402 -8.005) 8.015 6.809 ( -7.399 -3.844 4.578) 9.512 6.896 ( -4.257 -5.944 2.013) 7.583 6.959 ( -5.475 3.002 1.025) 6.327 7.022 ( 4.688 -3.249 0.777) 5.756 7.064 ( -1.562 1.967 4.567) 5.212 7.140 ( 16.657 9.504 -13.746) 23.595 7.308 ( 5.713 3.365 -5.351) 8.520 7.480 ( 6.316 3.667 -0.975) 7.369 7.511 ( -0.832 -0.886 -5.765) 5.891 7.577 ( 1.996 0.474 -2.390) 3.150 7.621 ( 5.635 4.091 -2.613) 7.438 7.950 ( -0.102 -0.191 0.041) 0.220 8.077 ( -5.292 -3.065 -0.495) 6.135 8.155 ( -0.794 -0.454 -7.748) 7.802 8.250 ( 4.939 3.104 -6.452) 8.698 8.290 ( 1.502 0.637 -3.203) 3.594 8.356 ( 4.228 2.519 -1.873) 5.266 8.457 ( -8.631 -3.893 5.940) 11.177 8.492 ( -2.466 -3.270 -0.065) 4.096 8.601 ( 0.989 -1.999 6.101) 6.496 8.645 ( 0.669 5.290 7.021) 8.816 8.793 ( 11.848 5.264 0.143) 12.965 9.255 ( 5.873 3.405 -7.524) 10.134 9.725 ( -1.613 -0.960 -3.764) 4.206 10.276 ( -11.640 -6.683 -8.636) 15.960 12.050 ( -0.441 -1.606 6.579) 6.787 12.062 ( -1.447 1.194 4.506) 4.881 12.106 ( 1.350 0.034 5.423) 5.589 12.464 ( 0.883 0.841 -0.245) 1.244 12.536 ( 6.785 3.655 -0.447) 7.720 12.721 ( -2.311 -0.705 2.124) 3.217 12.747 ( 0.213 -0.502 1.779) 1.861 12.956 ( -7.574 -4.382 1.036) 8.812 13.342 ( -0.074 -0.029 -3.489) 3.490 13.468 ( 6.191 3.553 -3.182) 7.815 13.509 ( -5.401 -3.118 0.563) 6.262 13.924 ( 0.094 0.063 -2.989) 2.991 15.818 ( -0.526 -0.256 -2.470) 2.538 15.823 ( -0.058 -0.087 -2.132) 2.135 15.913 ( -7.680 -4.459 5.235) 10.309 16.024 ( -0.392 -0.204 0.681) 0.811 16.087 ( -2.388 -1.285 1.468) 3.084 16.203 ( -1.186 -2.170 3.326) 4.145 16.227 ( -0.748 1.765 2.767) 3.367 16.277 ( -1.529 -1.677 2.739) 3.557 16.562 ( -5.119 -2.949 10.400) 11.961 16.789 ( 0.079 0.042 -4.069) 4.070 16.833 ( 2.524 1.460 -2.079) 3.581 17.226 ( -1.836 -1.060 -0.807) 2.268 17.297 ( -2.190 -1.238 2.249) 3.375 17.568 ( 3.778 2.133 -6.339) 7.681 17.693 ( 3.426 1.528 -1.101) 3.910 17.727 ( 0.821 0.512 -0.507) 1.092 17.845 ( 0.119 2.080 -2.864) 3.541 17.876 ( 3.646 0.524 -2.787) 4.619 27.573 ( -0.747 -0.431 0.180) 0.881 27.587 ( -1.359 -0.783 0.161) 1.577 27.671 ( -0.512 -0.303 0.472) 0.760 27.703 ( 1.506 0.881 0.240) 1.761 27.762 ( 0.310 0.208 -0.054) 0.377 27.765 ( 0.476 0.240 -0.102) 0.543 29.250 ( -0.059 -0.168 -0.788) 0.808 29.272 ( 1.549 1.033 -0.467) 1.919 29.636 ( -3.278 -1.911 -1.285) 4.006 29.700 ( -2.503 -1.025 -3.905) 4.750 29.747 ( 1.673 -0.165 -4.231) 4.553 29.769 ( 0.527 0.905 -7.541) 7.614 29.968 ( -4.339 -0.882 10.355) 11.262 30.024 ( 2.980 -1.336 6.361) 7.150 30.082 ( 1.044 2.402 6.240) 6.767 30.153 ( 4.014 2.143 7.600) 8.858 30.589 ( -2.809 -1.636 9.097) 9.661 31.077 ( -14.530 -9.229 12.355) 21.188 31.203 ( -0.600 1.260 0.782) 1.599 31.258 ( 3.584 1.278 1.705) 4.170 31.588 ( 0.549 0.292 -0.156) 0.642 31.943 ( 3.724 2.150 -4.702) 6.372 32.607 ( 15.575 8.988 -21.070) 27.700 33.422 ( -3.500 -2.019 -8.379) 9.302 ======================= Grid point 45 (11/40) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.034 -0.522 42.216) 42.219 1.391 ( 17.253 9.454 22.173) 29.642 1.556 ( 23.041 16.377 16.723) 32.845 2.191 ( -6.338 4.986 9.099) 12.158 2.231 ( -5.732 -9.462 -1.891) 11.223 2.503 ( 2.512 -5.196 10.931) 12.361 2.553 ( 19.310 0.793 9.510) 21.539 2.745 ( 5.784 11.591 11.112) 17.067 2.897 ( 8.989 6.472 6.881) 13.039 2.976 ( -0.898 9.359 6.511) 11.436 3.225 ( 6.836 5.274 5.895) 10.455 3.236 ( 11.576 -2.870 4.354) 12.696 3.351 ( -0.820 -4.745 -7.575) 8.976 3.489 ( -3.773 6.972 -0.800) 7.968 3.553 ( -14.030 -8.161 5.802) 17.237 3.775 ( 0.431 -1.458 2.318) 2.772 3.957 ( -1.030 2.123 -1.429) 2.758 3.967 ( 0.236 -11.420 -3.428) 11.925 4.060 ( -3.972 2.333 2.872) 5.428 4.163 ( 5.315 -1.347 5.631) 7.860 4.332 ( 4.178 4.680 11.819) 13.380 4.375 ( 0.317 -4.880 1.527) 5.123 4.391 ( -1.514 8.442 1.002) 8.635 4.562 ( -5.784 3.766 2.999) 7.526 4.694 ( 0.666 -3.911 3.817) 5.505 4.704 ( -8.547 -3.596 1.382) 9.375 4.821 ( 9.526 -0.921 4.766) 10.691 4.963 ( 7.804 8.891 -3.127) 12.237 5.068 ( -1.880 1.784 5.171) 5.784 5.217 ( -2.418 -4.010 5.410) 7.155 5.323 ( 3.330 -2.337 0.017) 4.068 5.386 ( -3.466 -1.586 10.222) 10.910 5.415 ( 0.587 4.118 -3.323) 5.324 5.468 ( -2.600 -2.537 4.959) 6.147 5.642 ( -7.371 -7.559 0.519) 10.571 5.779 ( -3.157 -1.388 -3.078) 4.623 5.842 ( -1.050 -1.762 -2.803) 3.474 5.918 ( 0.434 -2.090 -1.634) 2.688 5.961 ( 1.940 5.011 -4.042) 6.724 6.030 ( -1.730 -1.529 0.441) 2.351 6.109 ( 2.125 0.448 -2.272) 3.143 6.215 ( -5.907 0.645 -1.477) 6.123 6.285 ( -6.176 -2.169 -0.766) 6.591 6.315 ( -3.705 -1.323 -1.751) 4.307 6.430 ( -4.184 -4.517 -4.064) 7.377 6.550 ( -7.111 -1.323 -2.829) 7.767 6.632 ( -1.300 -4.402 0.571) 4.626 6.677 ( 0.439 0.477 -3.882) 3.936 6.769 ( -3.748 -4.214 2.125) 6.027 6.921 ( -1.236 0.574 2.423) 2.780 7.057 ( 2.541 0.393 3.199) 4.104 7.104 ( 0.995 2.608 -0.125) 2.794 7.267 ( -0.301 0.791 -0.665) 1.076 7.448 ( 3.015 2.836 -12.050) 12.742 7.492 ( 1.150 -1.640 -7.220) 7.493 7.589 ( 0.977 -1.729 -2.741) 3.384 7.679 ( 8.038 4.525 -1.213) 9.303 7.726 ( 1.451 2.597 -4.834) 5.676 7.945 ( -0.938 -1.215 0.152) 1.543 7.974 ( -2.905 -1.341 -0.693) 3.274 8.148 ( 0.319 0.341 -4.442) 4.466 8.280 ( -0.775 -0.793 -0.384) 1.173 8.315 ( -3.210 -0.390 6.150) 6.948 8.358 ( 1.857 -0.956 -3.031) 3.681 8.428 ( 1.054 0.937 0.409) 1.468 8.467 ( 1.749 0.919 -1.258) 2.342 8.598 ( 0.258 -1.166 2.149) 2.459 8.749 ( 3.413 6.473 0.260) 7.323 9.107 ( 16.144 6.842 -1.552) 17.603 9.403 ( 6.877 3.651 -7.323) 10.689 9.670 ( -3.109 -1.697 -6.868) 7.727 9.965 ( -15.227 -8.348 -10.063) 20.071 12.029 ( 0.302 -1.969 5.502) 5.851 12.043 ( -2.363 1.840 4.687) 5.562 12.109 ( 0.289 -1.053 8.278) 8.350 12.488 ( 0.654 0.898 0.210) 1.131 12.658 ( -0.829 -0.051 0.415) 0.929 12.730 ( 5.160 2.239 0.385) 5.638 12.754 ( 1.927 1.747 1.796) 3.160 12.804 ( -4.155 -3.117 1.776) 5.489 13.319 ( -7.961 -4.595 -1.591) 9.329 13.338 ( -0.400 -0.199 -3.114) 3.146 13.660 ( 7.254 4.121 -2.091) 8.601 13.911 ( -1.469 -0.793 -2.829) 3.285 15.793 ( -1.718 -0.804 -1.128) 2.207 15.811 ( -0.613 -0.986 -1.353) 1.783 15.825 ( -0.334 0.219 -1.081) 1.153 16.012 ( -0.641 -0.277 0.787) 1.053 16.032 ( -2.103 -0.999 1.538) 2.790 16.184 ( 1.039 -1.501 2.536) 3.125 16.223 ( -1.873 2.177 2.469) 3.787 16.305 ( 2.977 0.161 2.124) 3.661 16.471 ( -3.584 -1.910 6.101) 7.329 16.790 ( 0.043 0.022 -3.914) 3.915 16.908 ( 3.576 2.067 -2.017) 4.597 17.169 ( -2.882 -1.664 -1.218) 3.544 17.256 ( -1.245 -0.666 2.859) 3.189 17.586 ( -0.709 -0.419 -2.034) 2.194 17.722 ( 1.780 -0.876 0.045) 1.984 17.755 ( 0.311 0.759 -0.525) 0.974 17.879 ( -0.074 3.826 -3.910) 5.471 17.937 ( 3.046 -0.831 -3.115) 4.436 27.555 ( -0.692 -0.409 0.236) 0.837 27.560 ( -0.883 -0.497 0.260) 1.046 27.656 ( -0.601 -0.362 0.803) 1.066 27.733 ( 1.005 0.617 0.186) 1.194 27.770 ( 0.266 0.208 0.009) 0.338 27.775 ( 0.375 0.133 -0.094) 0.409 29.249 ( 0.146 -0.177 -1.304) 1.324 29.319 ( 1.999 1.475 -0.533) 2.541 29.562 ( -2.819 -1.731 -0.868) 3.420 29.666 ( -1.017 -0.139 -4.286) 4.407 29.764 ( 0.557 -1.229 -3.824) 4.055 29.783 ( 0.604 0.806 -4.798) 4.903 29.909 ( -2.284 0.289 10.154) 10.412 30.087 ( 4.618 -1.485 4.531) 6.638 30.144 ( 2.116 4.681 4.676) 6.947 30.268 ( 5.545 3.587 7.396) 9.916 30.504 ( -4.127 -2.649 8.627) 9.923 30.791 ( -10.453 -6.958 9.167) 15.547 31.204 ( -0.283 0.544 0.126) 0.626 31.364 ( 5.188 2.995 1.261) 6.121 31.577 ( -1.646 -1.078 1.018) 2.216 32.045 ( 4.445 2.570 -7.808) 9.345 32.795 ( 3.863 2.210 -11.300) 12.145 33.321 ( -4.645 -2.668 -8.967) 10.445 ======================= Grid point 46 (12/40) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 0.000 50.733) 50.733 1.818 ( 0.000 0.000 5.363) 5.363 1.868 ( -0.000 -0.000 8.002) 8.002 2.004 ( 0.000 0.000 6.805) 6.805 2.119 ( -0.000 -0.000 16.400) 16.400 2.400 ( 0.000 -0.000 5.880) 5.880 2.685 ( 0.000 0.000 5.723) 5.723 2.952 ( 0.000 0.000 -2.278) 2.278 3.008 ( 0.000 -0.000 3.252) 3.252 3.135 ( 0.000 0.000 -2.785) 2.785 3.171 ( 0.000 -0.000 2.862) 2.862 3.179 ( 0.000 0.000 6.256) 6.256 3.484 ( 0.000 0.000 -1.610) 1.610 3.522 ( -0.000 0.000 5.897) 5.897 3.585 ( 0.000 0.000 25.018) 25.018 3.772 ( 0.000 0.000 -0.376) 0.376 3.830 ( 0.000 0.000 0.220) 0.220 3.881 ( 0.000 -0.000 -5.232) 5.232 3.963 ( -0.000 0.000 3.427) 3.427 4.243 ( 0.000 -0.000 -0.583) 0.583 4.303 ( 0.000 0.000 1.757) 1.757 4.386 ( 0.000 0.000 5.363) 5.363 4.450 ( 0.000 0.000 13.431) 13.431 4.509 ( 0.000 0.000 5.354) 5.354 4.619 ( 0.000 0.000 -5.606) 5.606 4.744 ( 0.000 0.000 9.209) 9.209 4.853 ( 0.000 -0.000 -1.184) 1.184 5.103 ( 0.000 0.000 -1.443) 1.443 5.153 ( 0.000 0.000 9.007) 9.007 5.160 ( 0.000 -0.000 10.584) 10.584 5.289 ( 0.000 0.000 0.294) 0.294 5.402 ( -0.000 0.000 6.158) 6.158 5.412 ( 0.000 -0.000 -8.473) 8.473 5.450 ( 0.000 -0.000 8.583) 8.583 5.473 ( -0.000 -0.000 -0.993) 0.993 5.713 ( 0.000 0.000 -3.095) 3.095 5.805 ( 0.000 0.000 -2.133) 2.133 5.929 ( 0.000 0.000 -1.469) 1.469 6.004 ( 0.000 0.000 3.376) 3.376 6.006 ( -0.000 0.000 -7.738) 7.738 6.061 ( 0.000 0.000 -3.366) 3.366 6.201 ( 0.000 0.000 -4.180) 4.180 6.285 ( 0.000 -0.000 2.827) 2.827 6.291 ( -0.000 0.000 -1.470) 1.470 6.373 ( 0.000 0.000 -0.715) 0.715 6.396 ( -0.000 -0.000 -1.097) 1.097 6.614 ( 0.000 -0.000 2.047) 2.047 6.684 ( 0.000 -0.000 -4.642) 4.642 6.721 ( 0.000 0.000 1.049) 1.049 6.913 ( 0.000 -0.000 1.766) 1.766 7.105 ( 0.000 0.000 -0.640) 0.640 7.110 ( -0.000 -0.000 3.194) 3.194 7.264 ( 0.000 0.000 -0.348) 0.348 7.459 ( 0.000 0.000 -5.051) 5.051 7.514 ( 0.000 0.000 -12.495) 12.495 7.593 ( 0.000 0.000 -1.529) 1.529 7.730 ( 0.000 0.000 -4.007) 4.007 7.793 ( 0.000 0.000 0.228) 0.228 7.913 ( 0.000 0.000 0.709) 0.709 7.948 ( 0.000 0.000 -3.485) 3.485 8.158 ( 0.000 0.000 -1.989) 1.989 8.267 ( 0.000 0.000 0.318) 0.318 8.288 ( 0.000 0.000 5.002) 5.002 8.356 ( 0.000 0.000 -1.942) 1.942 8.442 ( 0.000 0.000 2.076) 2.076 8.500 ( 0.000 -0.000 -1.710) 1.710 8.591 ( 0.000 0.000 0.999) 0.999 8.823 ( 0.000 0.000 -3.767) 3.767 9.358 ( 0.000 0.000 -2.154) 2.154 9.564 ( 0.000 0.000 -5.427) 5.427 9.584 ( -0.000 0.000 -11.592) 11.592 9.685 ( -0.000 -0.000 -9.720) 9.720 12.025 ( 0.000 -0.000 6.694) 6.694 12.027 ( -0.000 0.000 3.120) 3.120 12.106 ( 0.000 0.000 8.656) 8.656 12.499 ( 0.000 0.000 0.380) 0.380 12.643 ( 0.000 0.000 1.220) 1.220 12.731 ( 0.000 0.000 1.677) 1.677 12.747 ( 0.000 0.000 1.043) 1.043 12.881 ( 0.000 0.000 0.768) 0.768 13.190 ( 0.000 0.000 -1.796) 1.796 13.335 ( 0.000 0.000 -3.234) 3.234 13.766 ( 0.000 0.000 -2.321) 2.321 13.874 ( 0.000 0.000 -2.666) 2.666 15.776 ( 0.000 0.000 -2.351) 2.351 15.802 ( 0.000 0.000 -2.037) 2.037 15.825 ( 0.000 0.000 -1.017) 1.017 15.999 ( 0.000 0.000 0.860) 0.860 16.011 ( 0.000 0.000 1.435) 1.435 16.191 ( 0.000 -0.000 2.303) 2.303 16.214 ( -0.000 0.000 2.424) 2.424 16.347 ( 0.000 0.000 1.551) 1.551 16.415 ( 0.000 0.000 5.768) 5.768 16.790 ( 0.000 0.000 -3.879) 3.879 16.963 ( 0.000 0.000 -1.835) 1.835 17.123 ( 0.000 0.000 -1.523) 1.523 17.242 ( 0.000 0.000 3.084) 3.084 17.574 ( 0.000 0.000 -0.910) 0.910 17.737 ( 0.000 0.000 0.188) 0.188 17.757 ( 0.000 0.000 -0.435) 0.435 17.900 ( 0.000 0.000 -4.110) 4.110 17.960 ( 0.000 0.000 -3.164) 3.164 27.546 ( 0.000 0.000 0.335) 0.335 27.550 ( 0.000 0.000 0.211) 0.211 27.649 ( 0.000 0.000 0.967) 0.967 27.746 ( 0.000 0.000 0.142) 0.142 27.774 ( 0.000 0.000 0.014) 0.014 27.779 ( 0.000 -0.000 -0.060) 0.060 29.250 ( 0.000 0.000 -1.495) 1.495 29.350 ( 0.000 0.000 -0.759) 0.759 29.523 ( 0.000 0.000 -0.289) 0.289 29.657 ( 0.000 0.000 -5.725) 5.725 29.760 ( 0.000 0.000 -2.289) 2.289 29.794 ( 0.000 0.000 -4.378) 4.378 29.891 ( 0.000 0.000 9.904) 9.904 30.118 ( 0.000 0.000 3.892) 3.892 30.214 ( 0.000 0.000 3.376) 3.376 30.361 ( 0.000 0.000 5.837) 5.837 30.441 ( 0.000 0.000 9.857) 9.857 30.627 ( 0.000 0.000 9.412) 9.412 31.204 ( 0.000 0.000 -0.125) 0.125 31.453 ( 0.000 0.000 1.015) 1.015 31.531 ( 0.000 0.000 1.686) 1.686 32.104 ( 0.000 0.000 -9.826) 9.826 32.838 ( 0.000 0.000 -6.455) 6.455 33.256 ( 0.000 0.000 -9.947) 9.947 ======================= Grid point 51 (13/40) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 5.981 11.525 25.141) 28.296 1.325 ( 3.412 6.883 42.867) 43.550 1.401 ( 15.826 22.882 16.615) 32.405 2.204 ( 3.980 -4.121 3.887) 6.924 2.307 ( 7.102 20.737 15.190) 26.668 2.409 ( 0.457 7.262 5.872) 9.350 2.523 ( -5.570 1.263 9.550) 11.127 2.706 ( 7.554 8.937 12.919) 17.431 2.816 ( 5.574 6.754 4.389) 9.795 2.951 ( 7.507 -3.528 9.301) 12.463 3.107 ( -0.855 5.106 0.090) 5.178 3.202 ( -2.069 0.030 4.389) 4.852 3.350 ( -3.587 -1.034 -6.352) 7.368 3.586 ( 1.069 -5.338 0.918) 5.520 3.649 ( -5.269 -8.122 4.241) 10.569 3.753 ( 3.095 2.159 -3.279) 5.000 3.926 ( -3.054 -3.498 2.910) 5.480 4.024 ( -1.054 10.763 -1.494) 10.917 4.056 ( 0.708 0.186 8.233) 8.265 4.143 ( -3.859 -1.183 -1.055) 4.172 4.244 ( 3.931 -4.725 3.349) 7.000 4.324 ( 3.331 5.292 6.288) 8.868 4.501 ( -2.242 3.355 4.593) 6.114 4.544 ( 6.083 -8.039 -1.995) 10.277 4.735 ( -3.100 -2.083 9.451) 10.162 4.778 ( -3.751 7.916 -0.674) 8.785 4.823 ( -0.263 3.535 -1.063) 3.701 4.914 ( 13.385 -1.744 5.008) 14.397 4.981 ( -1.561 4.735 3.184) 5.916 5.238 ( -8.447 -9.683 4.558) 13.635 5.306 ( -2.141 1.768 1.164) 3.011 5.393 ( 6.646 4.100 -0.299) 7.815 5.423 ( -0.783 -0.753 11.906) 11.955 5.532 ( -2.424 -5.152 -1.674) 5.935 5.724 ( -9.593 -3.145 -0.128) 10.096 5.761 ( 1.064 -6.152 -3.149) 6.992 5.839 ( -0.185 3.119 -1.951) 3.684 5.878 ( 1.853 2.646 -1.665) 3.634 5.989 ( 0.575 -3.848 -2.358) 4.550 6.029 ( -1.933 -1.894 -1.200) 2.960 6.095 ( -2.717 -0.992 -0.878) 3.023 6.196 ( 2.795 -2.290 -2.802) 4.573 6.331 ( -2.515 -5.033 -0.761) 5.677 6.412 ( 1.510 -5.579 -3.498) 6.756 6.465 ( -7.659 -4.469 -3.763) 9.632 6.564 ( 0.148 -5.969 -6.347) 8.714 6.607 ( -3.019 -1.408 -4.705) 5.765 6.724 ( -5.283 -5.483 5.880) 9.620 6.783 ( -4.895 -5.001 1.084) 7.081 6.922 ( 2.313 -2.725 4.612) 5.835 6.978 ( -2.238 0.017 0.029) 2.239 7.092 ( 1.641 0.960 -0.071) 1.903 7.282 ( 2.288 2.886 -1.347) 3.922 7.438 ( 4.330 6.188 -12.146) 14.303 7.500 ( -0.947 0.873 -7.049) 7.165 7.598 ( -1.257 1.468 -4.950) 5.314 7.629 ( 5.301 9.313 -1.467) 10.816 7.723 ( 4.576 5.105 -3.226) 7.577 7.946 ( -0.725 -0.223 -0.041) 0.760 7.983 ( -3.075 -5.695 -0.142) 6.474 8.154 ( 0.244 0.404 -5.291) 5.312 8.295 ( -1.778 -1.251 0.426) 2.216 8.302 ( 1.500 -0.804 -1.213) 2.090 8.362 ( -1.706 -0.234 2.760) 3.253 8.422 ( 2.619 2.984 -2.213) 4.545 8.453 ( -1.086 -0.255 -0.203) 1.134 8.598 ( -1.247 -0.005 2.442) 2.742 8.746 ( 8.364 5.099 4.359) 10.722 8.979 ( 4.233 12.974 -1.699) 13.752 9.369 ( 4.288 7.587 -7.155) 11.276 9.687 ( -1.714 -2.885 -6.049) 6.917 10.066 ( -7.424 -13.361 -10.185) 18.367 12.017 ( -1.281 -1.521 4.225) 4.670 12.069 ( 1.595 -0.716 6.631) 6.857 12.106 ( -1.635 0.238 7.535) 7.714 12.480 ( 0.922 0.641 -0.486) 1.224 12.667 ( 4.196 7.986 -1.081) 9.086 12.692 ( 0.212 -1.484 2.072) 2.558 12.741 ( -0.753 0.198 2.419) 2.541 12.836 ( -3.736 -6.137 1.388) 7.318 13.341 ( -0.048 -0.131 -3.465) 3.468 13.369 ( -4.781 -8.273 -1.003) 9.608 13.613 ( 4.511 7.903 -2.028) 9.323 13.921 ( -0.372 -0.717 -2.953) 3.061 15.806 ( -0.319 -1.489 -1.723) 2.299 15.815 ( -1.459 -0.830 -0.968) 1.938 15.830 ( -0.496 -1.551 0.402) 1.678 16.014 ( -0.325 -0.692 0.768) 1.083 16.046 ( -1.137 -2.373 1.417) 2.989 16.179 ( -1.820 -0.609 2.821) 3.412 16.239 ( 3.625 -0.367 2.728) 4.552 16.280 ( -1.373 2.293 2.107) 3.403 16.492 ( -2.148 -3.878 6.622) 7.969 16.789 ( -0.020 -0.029 -3.928) 3.928 16.888 ( 2.198 3.802 -2.093) 4.865 17.186 ( -1.679 -2.908 -1.098) 3.533 17.265 ( -0.836 -1.539 2.719) 3.234 17.601 ( 0.464 0.644 -3.013) 3.116 17.710 ( -2.148 0.507 -1.269) 2.546 17.742 ( 1.712 1.050 0.222) 2.021 17.847 ( 1.731 -1.100 -2.008) 2.871 17.950 ( 1.552 4.732 -4.266) 6.557 27.560 ( -0.444 -0.760 0.194) 0.902 27.565 ( -0.639 -1.122 0.261) 1.317 27.659 ( -0.476 -0.800 0.722) 1.178 27.728 ( 0.819 1.361 0.204) 1.601 27.769 ( 0.273 0.320 -0.027) 0.421 27.772 ( 0.125 0.411 -0.071) 0.435 29.235 ( -0.583 -0.717 -0.881) 1.277 29.321 ( 2.021 3.138 -0.736) 3.805 29.581 ( -1.958 -3.260 -1.066) 3.949 29.673 ( -0.170 -1.112 -3.535) 3.709 29.757 ( -0.835 0.562 -5.251) 5.347 29.790 ( 0.718 1.085 -5.311) 5.468 29.931 ( 1.164 -1.830 10.523) 10.744 30.046 ( -1.627 3.488 4.931) 6.255 30.140 ( 4.023 2.656 5.097) 7.016 30.221 ( 2.607 4.572 8.028) 9.599 30.529 ( -2.545 -4.159 8.642) 9.923 30.849 ( -7.712 -11.874 9.456) 17.026 31.241 ( 1.699 0.760 0.033) 1.861 31.305 ( 2.071 4.571 1.591) 5.264 31.586 ( -0.628 -0.923 0.770) 1.356 32.017 ( 2.802 4.848 -6.888) 8.877 32.775 ( 3.717 6.468 -14.163) 16.008 33.341 ( -3.417 -5.937 -8.272) 10.740 ======================= Grid point 52 (14/40) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.854 1.216 51.458) 51.506 1.690 ( 13.395 16.636 9.144) 23.234 1.894 ( 12.951 10.882 2.757) 17.139 2.137 ( -12.280 6.373 8.163) 16.064 2.341 ( -11.440 5.467 10.890) 16.713 2.436 ( -1.218 2.290 -2.460) 3.575 2.538 ( 6.654 2.409 11.100) 13.164 2.840 ( 3.045 -10.247 7.547) 13.086 2.996 ( 8.444 -0.514 7.233) 11.131 3.058 ( 4.789 -0.962 0.671) 4.930 3.117 ( 3.471 -6.366 8.134) 10.897 3.275 ( -7.858 -8.133 3.111) 11.729 3.306 ( 2.277 5.310 -0.767) 5.828 3.453 ( 8.507 4.209 9.273) 13.270 3.661 ( 1.057 -0.214 2.816) 3.016 3.730 ( -2.376 -3.108 -1.279) 4.116 3.848 ( -0.991 5.748 -0.318) 5.841 3.938 ( -4.641 0.851 6.829) 8.300 4.082 ( -4.353 1.119 1.198) 4.651 4.207 ( 1.252 2.646 -2.830) 4.072 4.273 ( 4.456 -3.457 -5.010) 7.544 4.431 ( -3.863 2.967 5.503) 7.349 4.485 ( 0.409 2.143 5.862) 6.255 4.585 ( -3.188 0.500 6.600) 7.347 4.633 ( -1.641 -4.249 6.461) 7.905 4.771 ( -2.244 6.559 4.818) 8.442 4.854 ( 3.259 4.283 9.317) 10.760 5.046 ( 6.488 -5.852 3.918) 9.576 5.113 ( 3.286 4.544 2.285) 6.055 5.142 ( 0.205 1.448 1.585) 2.157 5.278 ( -0.178 -0.174 -2.576) 2.588 5.360 ( -1.111 -1.956 8.790) 9.073 5.437 ( -2.596 0.638 7.617) 8.072 5.523 ( 0.370 4.204 -1.372) 4.438 5.544 ( -5.423 0.540 -3.277) 6.360 5.684 ( -1.031 -9.996 -2.693) 10.403 5.778 ( -4.546 -1.940 -1.508) 5.168 5.917 ( 1.804 -1.235 -1.129) 2.460 5.940 ( 1.669 -5.210 -0.364) 5.483 6.046 ( -0.302 3.535 -5.853) 6.845 6.138 ( 4.080 1.557 -3.540) 5.622 6.166 ( -5.934 -0.978 -3.915) 7.176 6.274 ( -1.169 -1.739 -1.406) 2.523 6.307 ( 1.562 -3.283 -1.977) 4.139 6.391 ( -3.531 3.611 0.342) 5.063 6.441 ( -5.890 -7.267 1.370) 9.454 6.562 ( 2.470 -3.685 -0.217) 4.441 6.594 ( -0.788 -5.463 1.472) 5.712 6.726 ( 2.641 -6.448 0.253) 6.973 6.893 ( -2.298 2.479 3.242) 4.684 7.029 ( 5.137 -1.607 -1.049) 5.484 7.094 ( -0.535 -2.965 0.143) 3.016 7.323 ( -1.184 3.647 0.781) 3.913 7.477 ( -1.108 0.987 -6.113) 6.291 7.541 ( 1.006 2.611 -11.235) 11.578 7.603 ( -0.116 3.285 -2.936) 4.407 7.776 ( 3.000 3.618 -0.186) 4.704 7.797 ( -2.386 4.642 -1.240) 5.364 7.898 ( 1.266 -4.416 -4.347) 6.325 7.923 ( -1.152 -1.821 0.828) 2.309 8.166 ( -0.181 1.480 -2.101) 2.576 8.254 ( 0.661 -0.825 2.698) 2.898 8.306 ( -2.813 -2.057 2.172) 4.106 8.331 ( 1.745 -0.631 -2.051) 2.766 8.461 ( -0.733 2.543 0.088) 2.648 8.494 ( 2.206 1.297 -1.200) 2.827 8.579 ( -0.317 -1.009 0.212) 1.078 8.905 ( -0.891 8.421 -1.568) 8.612 9.191 ( 11.485 0.401 -2.176) 11.696 9.509 ( 2.377 5.848 -7.538) 9.832 9.642 ( 0.983 -0.041 -9.350) 9.401 9.790 ( -11.161 -8.346 -9.937) 17.116 11.992 ( 0.166 -1.600 3.249) 3.625 12.074 ( -2.082 0.900 7.322) 7.666 12.089 ( 1.310 -0.538 8.087) 8.210 12.493 ( 0.278 -0.324 -0.980) 1.069 12.671 ( -1.111 0.442 1.199) 1.693 12.722 ( 0.730 -0.271 2.729) 2.838 12.731 ( -1.710 -3.436 1.501) 4.122 12.869 ( 5.191 7.447 0.237) 9.080 13.195 ( -4.706 -7.553 -1.493) 9.023 13.340 ( -0.193 0.222 -3.099) 3.113 13.755 ( 3.532 4.942 -2.393) 6.529 13.888 ( -1.839 -1.658 -2.849) 3.775 15.782 ( -0.569 -0.110 -1.796) 1.887 15.798 ( -0.060 -0.468 -2.435) 2.481 15.826 ( -0.009 -0.069 -0.886) 0.889 16.003 ( -0.117 -0.465 0.925) 1.042 16.009 ( -0.862 -1.078 1.113) 1.773 16.159 ( 0.477 -1.267 2.966) 3.260 16.269 ( -2.455 2.246 1.724) 3.747 16.309 ( 3.777 0.883 2.694) 4.723 16.418 ( -1.884 -3.365 5.060) 6.362 16.788 ( 0.071 -0.171 -3.848) 3.852 16.968 ( 1.811 3.746 -1.918) 4.582 17.121 ( -1.644 -3.159 -1.493) 3.861 17.245 ( -0.381 -0.307 3.062) 3.101 17.599 ( -1.483 1.626 -1.325) 2.569 17.697 ( 1.530 -1.931 -0.823) 2.597 17.771 ( 0.226 1.174 0.149) 1.205 17.851 ( 1.124 -3.112 -1.966) 3.848 18.009 ( -0.222 4.185 -4.589) 6.215 27.547 ( -0.287 -0.309 0.256) 0.493 27.549 ( -0.217 -0.442 0.263) 0.558 27.645 ( -0.126 -0.631 0.974) 1.168 27.751 ( 0.248 0.995 0.143) 1.035 27.773 ( -0.006 0.008 0.024) 0.026 27.776 ( 0.203 0.042 -0.051) 0.213 29.225 ( 0.552 -1.351 -1.175) 1.874 29.383 ( 0.419 3.972 -0.765) 4.067 29.518 ( -1.240 -2.599 -0.542) 2.930 29.665 ( -0.328 0.018 -6.050) 6.059 29.753 ( -0.024 0.283 -1.725) 1.749 29.795 ( 0.088 -0.405 -3.334) 3.360 29.940 ( -2.250 3.641 7.482) 8.620 30.085 ( 3.247 0.124 1.881) 3.755 30.219 ( 1.145 3.351 5.550) 6.583 30.335 ( 5.356 2.705 8.291) 10.234 30.431 ( -3.047 -4.440 8.397) 9.975 30.623 ( -4.926 -8.327 9.513) 13.568 31.252 ( -1.927 3.226 -0.772) 3.836 31.413 ( 4.763 2.250 1.655) 5.522 31.539 ( -2.205 -2.796 1.545) 3.882 32.103 ( 1.641 2.729 -9.706) 10.215 32.877 ( 0.600 6.276 -7.942) 10.140 33.217 ( -1.351 -7.664 -8.666) 11.647 ======================= Grid point 53 (15/40) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.283 2.077 51.597) 51.639 1.703 ( -21.993 -3.303 6.264) 23.105 1.831 ( -16.059 -2.639 11.070) 19.683 2.114 ( -0.998 8.790 4.738) 10.035 2.329 ( -0.225 14.981 -1.376) 15.045 2.607 ( 1.534 -0.645 12.916) 13.022 2.619 ( 5.343 2.123 6.933) 9.006 2.764 ( -5.633 -14.691 4.967) 16.499 2.825 ( 2.156 -3.789 9.185) 10.167 3.027 ( -6.768 -0.566 -1.485) 6.952 3.206 ( 0.943 -14.735 11.252) 18.564 3.253 ( 12.640 3.660 4.153) 13.799 3.386 ( -1.792 1.527 3.604) 4.305 3.453 ( -5.193 -2.582 -1.922) 6.109 3.522 ( -7.751 1.204 2.620) 8.270 3.846 ( 10.259 -1.372 5.948) 11.938 3.873 ( 7.652 -0.992 2.868) 8.232 3.932 ( -10.625 4.835 6.713) 13.466 4.086 ( 0.172 9.281 -9.140) 13.027 4.221 ( 2.284 -6.991 -5.288) 9.059 4.299 ( -0.757 -5.855 1.444) 6.078 4.383 ( -2.785 6.646 5.212) 8.894 4.456 ( -7.190 5.612 8.353) 12.367 4.564 ( 4.814 -2.372 2.316) 5.845 4.593 ( -2.594 5.972 6.620) 9.285 4.821 ( -1.035 3.933 10.409) 11.175 4.860 ( -1.603 0.109 8.295) 8.449 5.011 ( -3.229 -7.606 -3.171) 8.851 5.087 ( -0.742 -1.327 4.528) 4.777 5.170 ( -7.350 -1.132 7.053) 10.250 5.311 ( 7.311 3.632 1.697) 8.338 5.339 ( 1.719 -3.968 3.319) 5.452 5.466 ( 0.237 1.118 6.675) 6.772 5.500 ( -6.503 4.971 -6.842) 10.668 5.615 ( 3.887 1.874 -1.638) 4.615 5.670 ( 8.808 -1.518 0.256) 8.941 5.759 ( 7.005 0.876 1.539) 7.226 5.919 ( -2.033 -1.623 -3.726) 4.544 5.942 ( 5.200 -5.016 -3.613) 8.078 6.051 ( -3.410 3.007 -2.868) 5.376 6.078 ( -0.841 0.971 -4.680) 4.853 6.196 ( -1.001 0.357 -3.317) 3.483 6.241 ( -1.652 -1.175 1.579) 2.569 6.332 ( 4.090 3.069 0.316) 5.124 6.364 ( 2.880 0.407 -3.374) 4.454 6.454 ( 4.589 2.142 -0.246) 5.070 6.575 ( 3.805 -4.147 -0.168) 5.630 6.604 ( 5.645 -1.398 1.873) 6.110 6.727 ( 5.211 -6.780 0.979) 8.607 6.895 ( -1.671 4.180 2.411) 5.107 7.026 ( -1.123 -6.045 1.636) 6.363 7.086 ( 2.137 -0.256 -2.209) 3.085 7.318 ( -3.128 3.137 1.094) 4.563 7.471 ( -0.936 1.465 -6.847) 7.064 7.553 ( -1.700 0.101 -10.294) 10.434 7.616 ( -1.250 0.993 -3.162) 3.542 7.775 ( -4.884 0.260 -2.215) 5.369 7.795 ( -3.550 3.882 -0.595) 5.294 7.891 ( 3.381 -3.161 -1.705) 4.932 7.927 ( 2.309 -0.179 -0.608) 2.394 8.168 ( -1.398 1.153 -3.143) 3.628 8.260 ( 1.116 -2.066 4.808) 5.351 8.285 ( 0.922 1.500 -0.402) 1.806 8.353 ( 2.134 -1.309 -0.395) 2.534 8.457 ( -2.313 1.816 -0.570) 2.995 8.494 ( -2.138 -0.932 -1.065) 2.564 8.585 ( 1.595 -0.538 0.898) 1.908 8.866 ( -9.548 4.886 -1.665) 10.854 9.219 ( -4.392 -9.178 -2.652) 10.515 9.544 ( -10.254 -2.048 -7.561) 12.904 9.608 ( 4.467 2.146 -8.939) 10.220 9.787 ( 11.728 5.312 -10.090) 16.357 11.993 ( 1.504 -1.072 3.208) 3.701 12.059 ( -0.946 1.500 6.970) 7.192 12.103 ( 0.917 -0.551 8.591) 8.658 12.490 ( -0.181 -0.303 -1.204) 1.255 12.665 ( -0.454 1.119 2.256) 2.558 12.723 ( 2.982 -0.099 1.117) 3.186 12.736 ( 1.182 -0.846 1.935) 2.420 12.872 ( -8.653 -0.861 0.501) 8.710 13.195 ( 8.910 0.315 -1.525) 9.045 13.340 ( -0.115 0.285 -3.114) 3.130 13.756 ( -6.021 -0.626 -2.402) 6.512 13.887 ( 2.339 0.799 -2.842) 3.766 15.781 ( 0.296 0.407 -2.039) 2.100 15.802 ( 0.727 -0.206 -1.993) 2.132 15.824 ( -0.125 0.025 -1.076) 1.084 16.001 ( 0.531 -0.006 0.873) 1.022 16.009 ( 1.086 0.144 1.264) 1.672 16.166 ( 1.663 -1.460 2.884) 3.635 16.246 ( -2.628 2.561 2.028) 4.193 16.332 ( -1.572 -1.996 2.186) 3.351 16.413 ( 4.046 0.168 5.262) 6.640 16.788 ( 0.114 -0.147 -3.848) 3.853 16.968 ( -4.151 0.305 -1.918) 4.583 17.121 ( 3.557 -0.156 -1.493) 3.861 17.245 ( 0.422 0.188 3.060) 3.094 17.599 ( -0.670 1.974 -1.195) 2.402 17.709 ( 2.235 -2.706 -1.115) 3.682 17.768 ( -1.677 0.676 -0.161) 1.816 17.837 ( 0.775 -1.954 -1.473) 2.567 18.014 ( -2.896 1.953 -4.615) 5.788 27.547 ( 0.418 0.110 0.299) 0.526 27.549 ( 0.481 -0.049 0.219) 0.531 27.645 ( 0.619 -0.210 0.979) 1.177 27.750 ( -1.007 0.290 0.136) 1.057 27.773 ( -0.066 0.001 0.022) 0.070 27.777 ( -0.058 -0.152 -0.047) 0.170 29.226 ( 1.008 -1.210 -1.174) 1.964 29.381 ( -3.785 1.703 -0.789) 4.224 29.520 ( 2.925 -0.264 -0.521) 2.983 29.662 ( -0.138 0.386 -5.761) 5.775 29.759 ( 0.301 0.002 -2.677) 2.694 29.798 ( 0.603 -0.456 -3.068) 3.160 29.926 ( -3.185 3.763 7.352) 8.852 30.110 ( 0.443 -3.254 2.073) 3.883 30.201 ( -5.259 1.378 6.366) 8.371 30.321 ( -4.255 -2.407 7.577) 9.017 30.442 ( 4.526 -0.207 8.865) 9.956 30.631 ( 10.268 -0.190 9.247) 13.819 31.249 ( -2.223 3.380 -0.596) 4.089 31.411 ( -4.277 -2.878 1.432) 5.350 31.542 ( 3.539 0.408 1.622) 3.914 32.103 ( -3.187 -0.055 -9.689) 10.200 32.877 ( -5.723 2.614 -7.981) 10.163 33.217 ( 7.305 -2.659 -8.641) 11.624 ======================= Grid point 58 (16/40) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.000 -0.000 53.261) 53.261 1.922 ( -1.762 -3.525 -0.674) 3.998 1.922 ( 1.762 3.525 -0.674) 3.998 2.380 ( -0.000 -0.000 -4.261) 4.261 2.405 ( -0.000 -0.000 3.254) 3.254 2.505 ( -2.299 -4.598 16.329) 17.119 2.505 ( 2.299 4.598 16.329) 17.119 2.803 ( -4.423 -8.846 12.175) 15.686 2.803 ( 4.423 8.845 12.175) 15.686 2.874 ( -0.000 0.000 -0.125) 0.125 3.228 ( -4.500 -9.001 -7.024) 12.272 3.228 ( 4.500 9.001 -7.024) 12.272 3.233 ( -0.000 0.000 9.824) 9.824 3.546 ( -0.000 -0.000 3.077) 3.077 3.673 ( -3.089 -6.179 13.633) 15.283 3.673 ( 3.089 6.179 13.633) 15.283 3.817 ( 0.000 -0.000 -4.839) 4.839 4.111 ( -0.000 -0.000 -1.692) 1.692 4.132 ( -1.297 -2.593 -9.558) 9.988 4.132 ( 1.297 2.593 -9.558) 9.988 4.289 ( -0.000 0.000 10.726) 10.726 4.454 ( -1.749 -3.497 2.199) 4.486 4.454 ( 1.749 3.497 2.199) 4.486 4.623 ( -1.256 -2.512 11.279) 11.623 4.623 ( 1.256 2.512 11.279) 11.623 4.886 ( -3.195 -6.391 4.397) 8.389 4.886 ( 3.195 6.391 4.397) 8.389 4.907 ( 0.000 -0.000 15.518) 15.518 5.165 ( -1.100 -2.200 2.778) 3.710 5.165 ( 1.100 2.200 2.778) 3.710 5.332 ( -0.778 -1.556 -0.985) 1.999 5.332 ( 0.778 1.556 -0.985) 1.999 5.504 ( -2.366 -4.733 4.893) 7.207 5.504 ( 2.366 4.733 4.893) 7.207 5.548 ( -0.000 -0.000 2.818) 2.818 5.593 ( -0.000 -0.000 -10.920) 10.920 5.771 ( -2.677 -5.354 -0.193) 5.990 5.771 ( 2.677 5.354 -0.193) 5.990 5.944 ( -0.000 -0.000 -5.278) 5.278 6.115 ( -0.000 -0.000 -4.735) 4.735 6.144 ( -1.262 -2.523 -5.936) 6.573 6.144 ( 1.262 2.523 -5.936) 6.573 6.258 ( -0.000 -0.000 -3.182) 3.182 6.317 ( -2.041 -4.081 2.004) 4.984 6.317 ( 2.041 4.081 2.004) 4.984 6.481 ( -2.056 -4.113 2.141) 5.072 6.481 ( 2.056 4.113 2.141) 5.072 6.528 ( -0.000 -0.000 3.191) 3.191 6.614 ( 0.000 -0.000 0.756) 0.756 6.991 ( -1.902 -3.804 0.763) 4.321 6.991 ( 1.902 3.804 0.763) 4.321 7.034 ( -0.000 -0.000 -1.140) 1.140 7.367 ( -0.000 -0.000 1.693) 1.693 7.518 ( -1.269 -2.538 -8.124) 8.606 7.518 ( 1.269 2.538 -8.124) 8.606 7.718 ( -3.049 -6.098 -1.619) 7.008 7.718 ( 3.049 6.098 -1.619) 7.008 7.878 ( -1.125 -2.249 -1.567) 2.963 7.878 ( 1.125 2.249 -1.567) 2.963 7.880 ( -0.000 -0.000 -1.097) 1.097 8.200 ( 0.000 -0.000 -2.774) 2.774 8.254 ( -0.751 -1.502 2.624) 3.115 8.254 ( 0.751 1.502 2.624) 3.115 8.327 ( -0.000 -0.000 -2.329) 2.329 8.505 ( -0.351 -0.703 -0.891) 1.188 8.505 ( 0.351 0.703 -0.891) 1.188 8.560 ( -0.000 -0.000 0.567) 0.567 9.090 ( -4.409 -8.817 -2.565) 10.186 9.090 ( 4.409 8.817 -2.565) 10.186 9.586 ( -0.000 -0.000 -6.338) 6.338 9.671 ( -1.571 -3.143 -10.710) 11.272 9.671 ( 1.571 3.143 -10.710) 11.272 11.974 ( -0.000 -0.000 2.457) 2.457 12.083 ( -0.292 -0.583 8.182) 8.208 12.083 ( 0.292 0.583 8.182) 8.208 12.488 ( -0.000 -0.000 -2.362) 2.362 12.682 ( -0.583 -1.166 1.063) 1.682 12.682 ( 0.583 1.166 1.063) 1.682 12.723 ( -0.000 -0.000 5.310) 5.310 13.031 ( -3.824 -7.648 -0.989) 8.608 13.031 ( 3.824 7.648 -0.989) 8.608 13.343 ( -0.000 -0.000 -2.921) 2.921 13.840 ( -1.498 -2.996 -2.769) 4.346 13.840 ( 1.498 2.996 -2.769) 4.346 15.788 ( -0.257 -0.514 -2.350) 2.419 15.788 ( 0.257 0.514 -2.350) 2.419 15.825 ( -0.000 -0.000 -0.765) 0.765 15.998 ( -0.073 -0.146 0.912) 0.927 15.998 ( 0.073 0.146 0.912) 0.927 16.142 ( -0.000 -0.000 3.305) 3.305 16.299 ( -0.000 -0.000 0.037) 0.037 16.348 ( -1.278 -2.557 4.484) 5.318 16.348 ( 1.278 2.557 4.484) 5.318 16.786 ( -0.000 -0.000 -3.811) 3.811 17.047 ( -1.809 -3.618 -1.761) 4.411 17.047 ( 1.809 3.618 -1.761) 4.411 17.243 ( -0.000 -0.000 3.130) 3.130 17.645 ( -1.283 -2.566 -1.180) 3.102 17.645 ( 1.283 2.566 -1.180) 3.102 17.803 ( -0.829 -1.659 -0.437) 1.905 17.803 ( 0.829 1.659 -0.437) 1.905 18.052 ( -0.000 -0.000 -5.028) 5.028 27.544 ( -0.015 -0.030 0.249) 0.251 27.544 ( 0.015 0.030 0.249) 0.251 27.638 ( -0.000 -0.000 1.077) 1.077 27.768 ( -0.281 -0.562 0.086) 0.634 27.768 ( 0.281 0.562 0.086) 0.634 27.777 ( -0.000 -0.000 -0.042) 0.042 29.210 ( -0.000 -0.000 -1.173) 1.173 29.458 ( -1.554 -3.108 -0.562) 3.520 29.458 ( 1.554 3.108 -0.562) 3.520 29.666 ( -0.000 -0.000 -7.271) 7.271 29.771 ( -0.615 -1.230 -0.833) 1.608 29.771 ( 0.615 1.230 -0.833) 1.608 30.040 ( -2.251 -4.503 1.835) 5.358 30.040 ( 2.251 4.503 1.835) 5.358 30.281 ( -0.000 -0.000 7.203) 7.203 30.361 ( -0.476 -0.951 8.635) 8.701 30.361 ( 0.476 0.951 8.635) 8.701 30.523 ( -0.000 -0.000 10.243) 10.243 31.292 ( -0.000 -0.000 -1.803) 1.803 31.471 ( -1.658 -3.316 2.049) 4.236 31.471 ( 1.658 3.316 2.049) 4.236 32.133 ( 0.000 0.000 -10.613) 10.613 33.039 ( -4.216 -8.433 -7.546) 12.076 33.039 ( 4.216 8.433 -7.546) 12.076 ======================= Grid point 86 (17/40) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 0.000 32.640) 32.640 1.342 ( 0.000 0.000 32.640) 32.640 2.380 ( 0.000 -0.000 -4.458) 4.458 2.380 ( 0.000 0.000 -4.458) 4.458 2.386 ( -0.000 0.000 6.096) 6.096 2.386 ( -0.000 -0.000 6.096) 6.096 2.463 ( 0.000 0.000 49.242) 49.242 2.742 ( 0.000 0.000 64.009) 64.009 2.847 ( -0.000 0.000 6.534) 6.534 3.034 ( 0.000 -0.000 15.022) 15.022 3.034 ( 0.000 0.000 15.022) 15.022 3.357 ( -0.000 0.000 -0.511) 0.511 3.357 ( 0.000 0.000 -0.511) 0.511 3.555 ( -0.000 0.000 2.355) 2.355 3.706 ( 0.000 -0.000 10.168) 10.168 3.925 ( 0.000 0.000 0.474) 0.474 3.925 ( 0.000 -0.000 0.474) 0.474 3.991 ( 0.000 0.000 -13.339) 13.339 3.991 ( 0.000 0.000 -13.339) 13.339 4.151 ( 0.000 0.000 -2.975) 2.975 4.151 ( -0.000 0.000 -2.975) 2.975 4.379 ( 0.000 0.000 -2.221) 2.221 4.701 ( 0.000 0.000 5.425) 5.425 4.701 ( 0.000 0.000 5.425) 5.425 4.806 ( 0.000 0.000 9.034) 9.034 4.806 ( 0.000 0.000 9.034) 9.034 4.818 ( 0.000 0.000 6.566) 6.566 4.911 ( 0.000 0.000 4.394) 4.394 5.167 ( -0.000 0.000 11.372) 11.372 5.222 ( -0.000 0.000 6.211) 6.211 5.222 ( -0.000 0.000 6.211) 6.211 5.447 ( 0.000 0.000 -5.647) 5.647 5.447 ( 0.000 0.000 -5.647) 5.647 5.782 ( 0.000 0.000 11.571) 11.571 5.831 ( 0.000 -0.000 -4.797) 4.797 5.874 ( -0.000 -0.000 -2.510) 2.510 5.874 ( -0.000 -0.000 -2.510) 2.510 5.902 ( 0.000 -0.000 7.651) 7.651 5.902 ( 0.000 0.000 7.651) 7.651 6.094 ( 0.000 0.000 5.030) 5.030 6.266 ( 0.000 0.000 -9.673) 9.673 6.283 ( -0.000 0.000 -1.679) 1.679 6.283 ( 0.000 0.000 -1.679) 1.679 6.441 ( -0.000 0.000 -6.501) 6.501 6.441 ( -0.000 0.000 -6.501) 6.501 6.462 ( -0.000 -0.000 9.635) 9.635 6.645 ( -0.000 0.000 -4.049) 4.049 6.645 ( 0.000 0.000 -4.049) 4.049 6.776 ( 0.000 0.000 -15.727) 15.727 6.904 ( 0.000 -0.000 -16.113) 16.113 6.987 ( 0.000 -0.000 -0.675) 0.675 6.987 ( 0.000 -0.000 -0.675) 0.675 7.275 ( -0.000 0.000 8.541) 8.541 7.275 ( 0.000 -0.000 8.541) 8.541 7.403 ( -0.000 0.000 -2.221) 2.221 7.436 ( 0.000 0.000 -2.136) 2.136 7.498 ( -0.000 0.000 -3.136) 3.136 7.498 ( 0.000 0.000 -3.136) 3.136 7.964 ( -0.000 0.000 -0.221) 0.221 8.078 ( 0.000 -0.000 -0.777) 0.777 8.078 ( -0.000 0.000 -0.777) 0.777 8.147 ( 0.000 -0.000 -1.995) 1.995 8.222 ( 0.000 0.000 -3.673) 3.673 8.222 ( 0.000 0.000 -3.673) 3.673 8.401 ( 0.000 0.000 -4.320) 4.320 8.630 ( 0.000 0.000 -1.087) 1.087 8.630 ( 0.000 0.000 -1.087) 1.087 8.722 ( 0.000 0.000 2.269) 2.269 8.722 ( 0.000 -0.000 2.269) 2.269 8.950 ( -0.000 -0.000 -13.582) 13.582 9.687 ( 0.000 -0.000 -3.454) 3.454 10.212 ( 0.000 -0.000 -14.831) 14.831 12.155 ( 0.000 -0.000 5.278) 5.278 12.155 ( -0.000 0.000 5.278) 5.278 12.278 ( -0.000 0.000 13.837) 13.837 12.440 ( 0.000 0.000 -0.945) 0.945 12.440 ( 0.000 0.000 -0.945) 0.945 12.803 ( -0.000 -0.000 3.628) 3.628 12.803 ( 0.000 0.000 3.628) 3.628 13.107 ( -0.000 -0.000 0.364) 0.364 13.256 ( -0.000 -0.000 -5.705) 5.705 13.256 ( -0.000 0.000 -5.705) 5.705 13.540 ( 0.000 -0.000 -4.115) 4.115 13.838 ( 0.000 0.000 -5.507) 5.507 15.797 ( 0.000 -0.000 0.210) 0.210 15.797 ( 0.000 0.000 0.210) 0.210 16.037 ( -0.000 0.000 -0.039) 0.039 16.037 ( 0.000 0.000 -0.039) 0.039 16.149 ( 0.000 0.000 1.854) 1.854 16.275 ( 0.000 0.000 3.118) 3.118 16.275 ( 0.000 0.000 3.118) 3.118 16.317 ( -0.000 0.000 -4.171) 4.171 16.677 ( 0.000 0.000 -7.114) 7.114 16.677 ( -0.000 0.000 -7.114) 7.114 16.974 ( 0.000 -0.000 7.066) 7.066 17.231 ( 0.000 0.000 -1.155) 1.155 17.383 ( 0.000 0.000 3.674) 3.674 17.383 ( 0.000 -0.000 3.674) 3.674 17.651 ( 0.000 0.000 2.099) 2.099 17.734 ( 0.000 0.000 0.176) 0.176 17.774 ( 0.000 0.000 -4.266) 4.266 17.774 ( 0.000 0.000 -4.266) 4.266 27.588 ( 0.000 0.000 0.366) 0.366 27.610 ( 0.000 -0.000 0.023) 0.023 27.689 ( -0.000 0.000 0.874) 0.874 27.689 ( 0.000 -0.000 0.874) 0.874 27.755 ( 0.000 0.000 -0.292) 0.292 27.755 ( 0.000 -0.000 -0.292) 0.292 29.249 ( 0.000 0.000 0.232) 0.232 29.249 ( -0.000 0.000 0.232) 0.232 29.576 ( 0.000 0.000 -8.573) 8.573 29.576 ( 0.000 0.000 -8.573) 8.573 29.658 ( 0.000 0.000 -3.299) 3.299 29.672 ( -0.000 0.000 -1.079) 1.079 30.141 ( 0.000 -0.000 7.259) 7.259 30.141 ( 0.000 -0.000 7.259) 7.259 30.232 ( -0.000 -0.000 5.462) 5.462 30.232 ( 0.000 0.000 5.462) 5.462 30.845 ( 0.000 0.000 13.212) 13.212 31.238 ( 0.000 0.000 3.044) 3.044 31.238 ( 0.000 0.000 3.044) 3.044 31.549 ( -0.000 0.000 -2.074) 2.074 31.549 ( -0.000 0.000 -2.074) 2.074 31.692 ( 0.000 0.000 -7.946) 7.946 32.230 ( 0.000 0.000 7.985) 7.985 33.246 ( 0.000 0.000 -14.197) 14.197 ======================= Grid point 87 (18/40) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.219 3.166 29.546) 30.359 1.504 ( 12.650 7.743 27.590) 31.324 2.256 ( -5.645 -5.181 18.893) 20.388 2.314 ( -1.693 4.255 4.589) 6.483 2.428 ( 4.664 -3.175 17.784) 18.657 2.551 ( 0.586 6.578 13.640) 15.154 2.585 ( 9.948 2.570 4.636) 11.272 2.798 ( 0.477 -1.223 5.176) 5.339 2.916 ( 12.559 7.689 32.923) 36.067 3.100 ( 4.920 3.236 12.268) 13.608 3.194 ( 4.538 2.976 26.160) 26.717 3.279 ( -1.465 1.224 6.131) 6.421 3.388 ( 3.696 -1.110 1.009) 3.989 3.522 ( -0.292 -1.312 0.706) 1.518 3.712 ( -4.107 3.211 1.428) 5.405 3.847 ( 5.469 -7.795 0.505) 9.535 3.860 ( -5.094 4.064 -5.086) 8.267 4.037 ( 0.994 -1.273 -0.989) 1.894 4.079 ( -0.202 -0.072 -2.767) 2.776 4.192 ( -3.262 1.059 -5.226) 6.251 4.286 ( -3.047 6.317 -5.097) 8.670 4.347 ( 17.585 0.951 -4.703) 18.228 4.570 ( -6.375 -6.322 12.135) 15.095 4.620 ( -4.532 0.409 1.970) 4.959 4.705 ( -0.255 0.101 4.755) 4.763 4.820 ( 0.211 -1.779 7.151) 7.372 4.899 ( 0.270 0.094 6.621) 6.627 4.954 ( -4.279 0.163 9.877) 10.765 5.162 ( 6.646 3.396 8.071) 10.993 5.266 ( 2.213 0.774 1.026) 2.559 5.338 ( 0.710 3.075 0.903) 3.282 5.400 ( -1.975 -5.002 -4.151) 6.794 5.483 ( 2.170 2.767 -4.678) 5.852 5.734 ( -3.301 -1.798 12.220) 12.785 5.766 ( -3.241 -5.774 0.774) 6.667 5.809 ( -4.096 2.392 3.558) 5.929 5.860 ( -0.814 -1.558 0.433) 1.810 5.899 ( 1.291 -0.920 0.630) 1.706 5.937 ( -0.178 1.445 6.147) 6.317 6.048 ( -1.992 -1.027 0.435) 2.283 6.130 ( -6.342 -3.809 -2.455) 7.795 6.275 ( -0.418 -8.308 -1.560) 8.463 6.294 ( -6.367 5.275 -0.442) 8.280 6.381 ( 1.333 0.725 -2.745) 3.136 6.453 ( 1.065 0.309 -4.832) 4.957 6.509 ( 2.607 1.738 -5.336) 6.188 6.513 ( -7.213 -4.482 -3.661) 9.247 6.784 ( 0.058 0.297 -10.176) 10.180 6.843 ( 2.047 -0.509 -5.243) 5.652 6.935 ( -4.413 -1.237 -0.434) 4.604 6.971 ( 10.427 5.405 -5.887) 13.137 7.010 ( 2.148 1.397 -2.026) 3.267 7.221 ( -3.324 -1.516 7.675) 8.500 7.309 ( 0.916 0.118 3.783) 3.894 7.412 ( -1.199 -0.385 -3.807) 4.010 7.466 ( 4.239 2.857 -2.880) 5.867 7.505 ( 2.784 1.081 -2.424) 3.846 7.562 ( 3.905 2.221 -2.836) 5.312 7.959 ( 0.874 0.273 0.890) 1.277 8.045 ( -5.448 -2.072 -2.795) 6.464 8.076 ( -0.128 -1.085 -0.991) 1.475 8.176 ( 6.240 3.821 -1.493) 7.467 8.218 ( -0.309 -0.202 -4.781) 4.796 8.305 ( 4.348 2.540 -3.422) 6.089 8.401 ( 0.050 -0.071 -3.633) 3.634 8.537 ( -5.648 -3.216 1.442) 6.658 8.670 ( 1.775 -2.096 0.075) 2.747 8.718 ( -2.394 3.775 0.993) 4.579 8.795 ( 8.695 3.003 -0.749) 9.230 9.038 ( 6.074 3.513 -14.360) 15.983 9.631 ( -4.548 -2.655 -5.679) 7.745 10.056 ( -12.141 -6.990 -14.078) 19.861 12.139 ( -1.083 -0.770 5.078) 5.249 12.190 ( 1.111 1.103 5.302) 5.528 12.264 ( 0.251 -0.302 11.791) 11.798 12.456 ( 1.144 0.997 -0.468) 1.588 12.521 ( 5.978 3.266 -1.046) 6.892 12.780 ( -1.457 -0.994 4.088) 4.453 12.802 ( -0.092 0.096 3.962) 3.965 12.970 ( -7.289 -4.231 -0.116) 8.429 13.253 ( -0.229 -0.112 -5.776) 5.782 13.371 ( 2.836 1.620 -7.115) 7.829 13.500 ( -0.312 -0.179 -0.409) 0.545 13.844 ( 0.253 0.149 -5.369) 5.377 15.791 ( -0.525 -0.265 0.281) 0.651 15.802 ( 0.429 0.203 0.562) 0.736 15.973 ( -5.438 -3.153 1.882) 6.562 16.033 ( -0.268 -0.143 0.080) 0.314 16.121 ( -2.186 -1.225 2.025) 3.222 16.250 ( -2.468 -2.238 0.443) 3.361 16.278 ( -1.004 1.381 2.454) 2.989 16.299 ( 1.884 -0.092 1.880) 2.663 16.658 ( -2.488 -1.440 -3.711) 4.694 16.683 ( 0.322 0.193 -6.777) 6.787 16.866 ( -3.295 -1.903 7.397) 8.318 17.204 ( -2.239 -1.292 -1.517) 2.997 17.359 ( -1.510 -0.841 4.280) 4.616 17.489 ( 4.815 2.716 -1.379) 5.698 17.698 ( 2.553 0.581 0.818) 2.743 17.714 ( -0.582 0.722 -1.408) 1.686 17.783 ( 0.811 0.553 -3.595) 3.727 17.812 ( 2.481 1.218 -3.593) 4.533 27.578 ( -0.738 -0.427 0.360) 0.926 27.591 ( -1.222 -0.704 0.251) 1.433 27.686 ( -0.249 -0.152 1.056) 1.096 27.711 ( 1.397 0.817 0.603) 1.727 27.760 ( 0.395 0.251 -0.239) 0.525 27.761 ( 0.471 0.245 -0.263) 0.592 29.240 ( -0.510 -0.377 -0.010) 0.634 29.269 ( 1.582 1.006 0.245) 1.890 29.549 ( -1.930 -1.105 -7.549) 7.870 29.584 ( 0.152 0.064 -7.285) 7.287 29.664 ( -0.547 -0.251 -2.478) 2.550 29.667 ( 0.812 0.405 -3.749) 3.857 30.145 ( -0.263 0.810 8.292) 8.336 30.173 ( 3.186 0.321 8.268) 8.866 30.226 ( -0.049 0.532 7.176) 7.196 30.280 ( 3.983 2.323 5.577) 7.237 30.799 ( -3.690 -2.138 12.319) 13.036 31.230 ( -0.769 -0.239 2.309) 2.445 31.249 ( -8.397 -5.578 5.916) 11.689 31.310 ( -1.953 -0.551 3.309) 3.882 31.577 ( 1.945 1.049 -1.241) 2.535 31.796 ( 2.713 1.573 -10.197) 10.669 32.392 ( 10.315 5.958 -2.568) 12.186 33.206 ( -3.384 -1.954 -13.948) 14.485 ======================= Grid point 88 (19/40) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 8.769 4.903 18.597) 21.137 1.836 ( 12.068 5.870 14.249) 19.574 2.133 ( 0.201 1.821 28.638) 28.696 2.297 ( -5.635 -4.426 7.020) 10.032 2.460 ( -3.347 7.940 20.964) 22.665 2.631 ( 9.845 3.298 4.638) 11.371 2.765 ( 7.971 -10.810 8.383) 15.833 2.919 ( 4.508 6.491 7.551) 10.930 3.036 ( 0.729 -0.536 9.452) 9.495 3.109 ( -6.040 0.768 4.305) 7.457 3.231 ( 4.304 4.803 0.167) 6.452 3.328 ( 1.516 -0.644 9.752) 9.890 3.496 ( 0.579 5.872 4.830) 7.625 3.578 ( -3.656 -1.858 12.491) 13.147 3.724 ( 4.428 4.520 16.388) 17.567 3.746 ( 3.613 -3.841 -5.297) 7.474 3.925 ( -2.151 -13.544 0.466) 13.721 3.960 ( 3.916 3.516 3.529) 6.336 4.073 ( -0.790 4.683 -0.004) 4.749 4.213 ( 3.188 7.213 -7.225) 10.696 4.301 ( -3.782 0.447 1.410) 4.061 4.468 ( 2.353 0.819 2.966) 3.874 4.586 ( 2.776 1.300 9.720) 10.192 4.663 ( 0.767 -0.316 0.677) 1.071 4.739 ( 1.044 -1.661 3.389) 3.916 4.804 ( -0.644 -10.270 7.767) 12.892 4.856 ( 2.179 10.975 -4.956) 12.238 4.921 ( 2.153 2.082 10.266) 10.694 5.162 ( -6.472 0.738 3.307) 7.305 5.259 ( 1.537 -1.909 -2.694) 3.642 5.327 ( 0.014 5.274 2.557) 5.862 5.417 ( 4.985 -7.910 2.680) 9.726 5.567 ( 1.213 5.480 -0.079) 5.613 5.659 ( -4.594 -1.124 8.657) 9.865 5.696 ( -4.209 -5.381 6.307) 9.297 5.749 ( -0.887 -3.257 -1.093) 3.548 5.782 ( -3.535 -1.224 3.502) 5.124 5.849 ( -3.330 -4.821 -5.594) 8.101 5.916 ( -2.898 3.201 2.667) 5.075 6.045 ( 0.332 1.943 2.536) 3.212 6.098 ( 3.332 0.755 2.940) 4.508 6.143 ( -6.651 -5.560 -3.913) 9.511 6.256 ( -2.381 -0.023 -2.427) 3.400 6.345 ( -1.558 1.053 4.066) 4.479 6.378 ( -3.295 -3.933 -1.904) 5.473 6.486 ( -1.614 2.172 -2.039) 3.388 6.583 ( 1.971 3.102 -3.348) 4.972 6.697 ( -2.889 -6.835 3.025) 8.013 6.784 ( -2.218 -3.647 -2.485) 4.939 6.893 ( -0.681 1.526 -4.207) 4.527 7.055 ( 1.680 0.639 -1.661) 2.447 7.150 ( 0.362 2.633 1.427) 3.016 7.238 ( 4.620 3.029 -6.182) 8.291 7.296 ( -0.114 -1.602 2.700) 3.142 7.392 ( -0.753 -0.071 -2.274) 2.396 7.510 ( 2.932 0.172 -5.210) 5.980 7.620 ( 0.542 3.099 -4.697) 5.653 7.689 ( 8.906 3.059 0.454) 9.428 7.920 ( -4.376 -3.405 -3.578) 6.599 7.968 ( -1.778 0.120 0.124) 1.787 8.108 ( 2.885 1.613 -0.001) 3.305 8.213 ( -0.076 -0.016 -5.652) 5.652 8.306 ( 3.417 2.632 -1.489) 4.563 8.392 ( -0.561 -2.162 0.833) 2.384 8.399 ( 3.625 1.322 -1.861) 4.284 8.448 ( -0.868 1.260 0.675) 1.673 8.639 ( 0.233 -4.744 0.265) 4.757 8.721 ( -3.040 5.113 -2.969) 6.648 9.042 ( 13.033 5.968 -5.723) 15.434 9.181 ( 6.074 3.401 -15.620) 17.101 9.499 ( -6.098 -4.159 -10.448) 12.792 9.730 ( -15.264 -8.259 -14.133) 22.381 12.112 ( -0.922 -0.892 4.624) 4.798 12.177 ( -1.816 0.063 6.795) 7.034 12.294 ( 1.906 -0.071 10.857) 11.024 12.487 ( 0.830 1.157 -0.384) 1.475 12.640 ( 2.507 1.578 -2.329) 3.768 12.770 ( 1.382 -0.371 3.813) 4.073 12.814 ( 0.350 2.404 4.379) 5.007 12.838 ( -2.070 -2.646 1.474) 3.669 13.237 ( -2.704 -1.575 -6.064) 6.824 13.281 ( -4.895 -2.763 -3.861) 6.819 13.615 ( 6.378 3.644 -2.158) 7.656 13.836 ( -1.150 -0.638 -4.933) 5.105 15.778 ( -0.689 -0.091 0.782) 1.046 15.813 ( 0.514 -0.536 1.542) 1.711 15.848 ( -3.941 -1.780 3.189) 5.373 16.025 ( -0.488 -0.210 0.378) 0.652 16.067 ( -2.155 -1.164 1.974) 3.146 16.217 ( 0.030 -0.779 0.360) 0.858 16.272 ( -1.051 0.996 2.726) 3.086 16.346 ( 2.875 0.646 2.366) 3.779 16.570 ( -4.163 -2.334 2.386) 5.336 16.688 ( 0.077 0.059 -6.733) 6.734 16.877 ( 2.697 1.554 -0.102) 3.115 17.136 ( -3.370 -1.945 -2.253) 4.496 17.332 ( -0.811 -0.402 5.103) 5.183 17.549 ( 0.974 0.385 -1.417) 1.763 17.712 ( 1.886 -1.265 -2.062) 3.068 17.741 ( -0.650 2.420 -0.668) 2.594 17.809 ( 0.960 1.084 -2.677) 3.043 17.861 ( 1.928 0.263 -4.558) 4.957 27.561 ( -0.608 -0.371 0.378) 0.806 27.566 ( -0.872 -0.481 0.385) 1.068 27.679 ( -0.276 -0.182 1.511) 1.547 27.739 ( 0.915 0.575 0.435) 1.165 27.770 ( 0.316 0.274 -0.076) 0.425 27.771 ( 0.410 0.119 -0.275) 0.508 29.229 ( -0.265 -0.353 -0.560) 0.713 29.312 ( 1.715 1.286 -0.008) 2.144 29.512 ( -0.929 -0.541 -5.722) 5.822 29.563 ( -1.760 -1.176 -4.555) 5.023 29.659 ( 0.004 0.268 -5.278) 5.285 29.687 ( 0.881 0.277 -4.636) 4.727 30.141 ( -1.012 0.848 11.944) 12.017 30.225 ( 3.152 -2.178 8.495) 9.319 30.278 ( 3.306 4.242 8.346) 9.928 30.396 ( 5.172 3.617 5.676) 8.488 30.694 ( -4.745 -2.971 11.002) 12.345 30.971 ( -10.686 -6.608 8.765) 15.319 31.213 ( -0.696 -0.368 0.900) 1.196 31.404 ( 4.814 3.291 3.003) 6.559 31.602 ( -0.278 -0.411 1.261) 1.356 31.839 ( 1.535 0.883 -13.325) 13.442 32.598 ( 7.180 4.166 -7.777) 11.375 33.102 ( -5.117 -2.961 -13.464) 14.705 ======================= Grid point 89 (20/40) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 0.000 11.983) 11.983 1.912 ( 0.000 0.000 6.997) 6.997 2.162 ( 0.000 0.000 15.550) 15.550 2.334 ( 0.000 0.000 29.140) 29.140 2.459 ( -0.000 -0.000 11.222) 11.222 2.647 ( 0.000 0.000 18.598) 18.598 2.794 ( 0.000 0.000 6.915) 6.915 2.975 ( 0.000 -0.000 6.420) 6.420 3.039 ( 0.000 0.000 -1.976) 1.976 3.097 ( 0.000 0.000 5.402) 5.402 3.275 ( 0.000 -0.000 3.118) 3.118 3.338 ( 0.000 0.000 10.377) 10.377 3.499 ( 0.000 0.000 4.422) 4.422 3.541 ( -0.000 0.000 1.803) 1.803 3.708 ( 0.000 0.000 -4.845) 4.845 3.823 ( 0.000 -0.000 0.197) 0.197 3.853 ( -0.000 0.000 0.038) 0.038 4.055 ( 0.000 0.000 2.404) 2.404 4.133 ( -0.000 0.000 17.849) 17.849 4.236 ( 0.000 0.000 2.687) 2.687 4.292 ( 0.000 0.000 3.085) 3.085 4.522 ( 0.000 0.000 4.109) 4.109 4.604 ( 0.000 0.000 13.002) 13.002 4.639 ( 0.000 0.000 -0.688) 0.688 4.676 ( 0.000 -0.000 6.577) 6.577 4.701 ( 0.000 -0.000 -6.257) 6.257 4.901 ( -0.000 0.000 6.737) 6.737 5.133 ( 0.000 0.000 4.732) 4.732 5.196 ( 0.000 0.000 -9.593) 9.593 5.290 ( 0.000 0.000 7.112) 7.112 5.340 ( 0.000 0.000 3.790) 3.790 5.369 ( -0.000 -0.000 3.376) 3.376 5.472 ( 0.000 0.000 1.616) 1.616 5.603 ( 0.000 0.000 7.402) 7.402 5.657 ( -0.000 0.000 10.779) 10.779 5.718 ( 0.000 0.000 -7.266) 7.266 5.731 ( 0.000 -0.000 6.680) 6.680 5.834 ( 0.000 -0.000 -7.255) 7.255 5.902 ( -0.000 0.000 2.338) 2.338 5.994 ( 0.000 0.000 -4.975) 4.975 6.077 ( 0.000 0.000 6.607) 6.607 6.156 ( 0.000 0.000 2.131) 2.131 6.241 ( 0.000 0.000 -3.456) 3.456 6.304 ( 0.000 0.000 0.291) 0.291 6.392 ( 0.000 0.000 -0.100) 0.100 6.419 ( 0.000 -0.000 4.104) 4.104 6.622 ( -0.000 0.000 -1.720) 1.720 6.654 ( 0.000 -0.000 3.200) 3.200 6.739 ( 0.000 0.000 -0.177) 0.177 6.894 ( 0.000 0.000 -3.966) 3.966 7.075 ( 0.000 0.000 -2.229) 2.229 7.167 ( 0.000 -0.000 1.328) 1.328 7.264 ( 0.000 0.000 -1.672) 1.672 7.304 ( 0.000 0.000 -6.269) 6.269 7.393 ( 0.000 0.000 0.985) 0.985 7.555 ( 0.000 0.000 -2.022) 2.022 7.632 ( 0.000 0.000 -5.535) 5.535 7.795 ( 0.000 0.000 -0.561) 0.561 7.861 ( -0.000 0.000 -6.641) 6.641 7.935 ( 0.000 0.000 1.420) 1.420 8.150 ( 0.000 0.000 1.188) 1.188 8.212 ( 0.000 0.000 -5.838) 5.838 8.347 ( 0.000 -0.000 1.774) 1.774 8.348 ( 0.000 0.000 0.974) 0.974 8.450 ( 0.000 0.000 0.077) 0.077 8.480 ( 0.000 -0.000 0.248) 0.248 8.615 ( 0.000 0.000 -0.080) 0.080 8.714 ( 0.000 0.000 -7.570) 7.570 9.276 ( 0.000 0.000 -6.924) 6.924 9.290 ( 0.000 0.000 -18.089) 18.089 9.384 ( 0.000 -0.000 -15.201) 15.201 9.460 ( -0.000 -0.000 -11.722) 11.722 12.098 ( 0.000 -0.000 4.295) 4.295 12.159 ( 0.000 0.000 6.622) 6.622 12.310 ( 0.000 0.000 11.902) 11.902 12.500 ( 0.000 0.000 -0.495) 0.495 12.654 ( 0.000 0.000 -0.633) 0.633 12.768 ( 0.000 0.000 2.697) 2.697 12.795 ( 0.000 0.000 3.504) 3.504 12.903 ( 0.000 0.000 1.621) 1.621 13.138 ( 0.000 0.000 -3.567) 3.567 13.255 ( 0.000 0.000 -4.953) 4.953 13.710 ( 0.000 0.000 -3.286) 3.286 13.805 ( 0.000 0.000 -4.411) 4.411 15.770 ( 0.000 0.000 2.123) 2.123 15.792 ( 0.000 0.000 1.479) 1.479 15.831 ( 0.000 0.000 2.166) 2.166 16.016 ( 0.000 -0.000 0.682) 0.682 16.042 ( 0.000 0.000 1.620) 1.620 16.216 ( 0.000 0.000 0.021) 0.021 16.266 ( 0.000 0.000 2.967) 2.967 16.386 ( 0.000 0.000 2.360) 2.360 16.509 ( 0.000 0.000 3.306) 3.306 16.688 ( 0.000 0.000 -6.819) 6.819 16.925 ( 0.000 0.000 -1.627) 1.627 17.083 ( 0.000 0.000 -2.664) 2.664 17.323 ( 0.000 0.000 5.401) 5.401 17.556 ( 0.000 0.000 -0.839) 0.839 17.729 ( 0.000 -0.000 -3.110) 3.110 17.741 ( -0.000 0.000 0.096) 0.096 17.826 ( 0.000 0.000 -2.699) 2.699 17.879 ( 0.000 0.000 -5.043) 5.043 27.554 ( 0.000 0.000 0.481) 0.481 27.555 ( -0.000 -0.000 0.337) 0.337 27.675 ( 0.000 0.000 1.762) 1.762 27.750 ( 0.000 0.000 0.350) 0.350 27.774 ( 0.000 0.000 -0.012) 0.012 27.776 ( 0.000 -0.000 -0.252) 0.252 29.225 ( 0.000 0.000 -0.834) 0.834 29.336 ( 0.000 0.000 -0.566) 0.566 29.513 ( 0.000 0.000 -1.078) 1.078 29.525 ( -0.000 -0.000 -7.462) 7.462 29.662 ( 0.000 0.000 -5.834) 5.834 29.697 ( 0.000 0.000 -5.048) 5.048 30.135 ( 0.000 0.000 13.496) 13.496 30.242 ( 0.000 -0.000 7.973) 7.973 30.353 ( 0.000 0.000 9.339) 9.339 30.475 ( 0.000 0.000 5.315) 5.315 30.627 ( -0.000 0.000 9.998) 9.998 30.818 ( 0.000 0.000 9.920) 9.920 31.204 ( 0.000 0.000 0.155) 0.155 31.485 ( 0.000 0.000 2.344) 2.344 31.575 ( 0.000 0.000 2.825) 2.825 31.860 ( 0.000 0.000 -15.131) 15.131 32.695 ( 0.000 0.000 -7.666) 7.666 33.024 ( 0.000 0.000 -13.560) 13.560 ======================= Grid point 94 (21/40) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.352 10.450 21.624) 24.606 1.754 ( 9.479 15.636 20.378) 27.379 2.203 ( -3.277 -2.677 34.809) 35.066 2.276 ( 1.796 -4.014 4.038) 5.970 2.476 ( 4.431 -1.112 7.188) 8.517 2.525 ( -0.721 5.582 7.088) 9.051 2.730 ( -2.094 6.492 12.259) 14.029 2.874 ( 3.161 6.274 0.880) 7.080 3.056 ( 0.954 0.104 10.251) 10.295 3.183 ( 2.913 3.646 4.099) 6.211 3.233 ( -2.898 5.250 5.512) 8.145 3.268 ( 5.459 -6.172 14.307) 16.510 3.434 ( 5.896 11.593 27.299) 30.239 3.623 ( -2.299 -3.630 1.035) 4.419 3.691 ( -0.226 7.815 1.645) 7.989 3.736 ( 1.983 -11.308 2.907) 11.843 3.924 ( -10.129 2.679 -5.729) 11.941 4.023 ( -0.104 5.777 2.481) 6.288 4.051 ( -3.225 -5.216 -3.087) 6.866 4.105 ( 8.488 -3.489 -1.701) 9.333 4.374 ( 10.688 1.705 -0.756) 10.850 4.463 ( -6.035 3.242 6.422) 9.390 4.534 ( -1.464 3.299 3.608) 5.103 4.639 ( 1.858 -1.772 6.907) 7.369 4.711 ( 0.546 4.910 1.413) 5.139 4.765 ( 1.655 3.316 -4.159) 5.571 4.937 ( 2.793 3.135 7.994) 9.029 5.039 ( -3.800 0.828 8.869) 9.684 5.125 ( 7.964 -2.239 8.741) 12.035 5.230 ( -2.286 -4.049 -0.182) 4.653 5.336 ( 2.972 -2.341 -4.210) 5.660 5.398 ( -10.516 3.934 0.150) 11.229 5.544 ( 5.712 1.475 -0.382) 5.912 5.673 ( -1.075 -3.359 11.241) 11.781 5.727 ( -4.364 -0.137 -0.386) 4.383 5.760 ( -4.903 -6.527 1.938) 8.390 5.815 ( -1.669 -2.198 0.517) 2.808 5.843 ( 0.873 -1.781 1.777) 2.663 5.949 ( 0.647 -2.446 1.611) 3.000 6.029 ( -0.471 -3.496 0.792) 3.615 6.070 ( -2.689 -1.251 -1.047) 3.146 6.152 ( -1.041 -0.316 0.982) 1.465 6.317 ( 0.246 -5.307 -1.871) 5.633 6.376 ( 0.766 -1.826 1.707) 2.614 6.381 ( -5.436 -2.704 -5.043) 7.893 6.483 ( 1.732 -0.591 -2.136) 2.813 6.544 ( 1.645 0.827 -1.613) 2.448 6.766 ( -5.260 -4.035 -2.775) 7.186 6.792 ( -4.646 -0.666 -1.622) 4.966 6.934 ( 7.581 -4.498 -0.499) 8.829 6.972 ( -5.718 3.264 -0.772) 6.629 7.109 ( 1.874 -0.111 -1.194) 2.225 7.230 ( 3.867 6.033 -2.148) 7.481 7.333 ( 0.276 2.439 2.113) 3.239 7.391 ( -0.302 -1.744 -3.311) 3.754 7.487 ( -0.054 1.230 -6.894) 7.003 7.606 ( 5.787 7.135 -1.936) 9.389 7.667 ( 2.368 6.841 -1.906) 7.486 7.925 ( -3.010 -4.346 -2.426) 5.817 7.987 ( -0.674 -2.731 0.456) 2.850 8.099 ( 1.270 2.705 -1.246) 3.238 8.211 ( -0.151 -0.077 -6.094) 6.096 8.267 ( 2.806 3.968 -1.299) 5.030 8.368 ( 1.245 2.542 -2.964) 4.099 8.410 ( -0.526 1.811 -1.965) 2.724 8.447 ( -1.031 -3.912 3.090) 5.090 8.637 ( -3.237 -1.437 0.247) 3.551 8.781 ( 6.405 0.482 -0.988) 6.499 8.923 ( 2.898 10.739 -4.410) 11.965 9.151 ( 3.970 6.969 -15.304) 17.278 9.536 ( -3.988 -6.316 -9.150) 11.812 9.828 ( -7.981 -14.302 -14.370) 21.788 12.100 ( -1.469 -2.301 4.762) 5.489 12.230 ( 2.997 -0.121 7.412) 7.995 12.260 ( -2.210 1.990 9.840) 10.280 12.466 ( 0.616 -0.126 -0.634) 0.893 12.632 ( 3.476 5.974 -2.572) 7.375 12.758 ( -0.855 -0.127 4.703) 4.782 12.807 ( 1.094 0.303 4.588) 4.726 12.862 ( -3.246 -4.860 0.884) 5.911 13.250 ( -0.314 -0.594 -5.932) 5.970 13.317 ( -3.650 -6.335 -4.699) 8.691 13.574 ( 3.784 6.601 -1.576) 7.770 13.843 ( -0.300 -0.550 -5.128) 5.166 15.782 ( -0.119 -0.609 0.509) 0.802 15.809 ( -0.106 0.517 1.240) 1.348 15.878 ( -2.758 -5.008 3.443) 6.674 16.027 ( -0.218 -0.475 0.316) 0.611 16.078 ( -1.428 -2.631 1.849) 3.519 16.221 ( -1.099 -0.558 0.827) 1.484 16.282 ( 1.845 -0.675 2.167) 2.925 16.323 ( -0.095 2.639 2.637) 3.732 16.595 ( -2.577 -4.524 1.631) 5.456 16.686 ( 0.059 0.077 -6.679) 6.680 16.863 ( 1.247 2.166 1.042) 2.708 17.156 ( -1.974 -3.420 -2.063) 4.455 17.338 ( -0.499 -0.977 4.945) 5.065 17.548 ( 1.207 2.411 -1.910) 3.304 17.682 ( -1.267 -0.861 -2.103) 2.601 17.748 ( 1.875 1.208 0.480) 2.281 17.804 ( 0.854 0.750 -2.347) 2.608 17.855 ( 1.081 3.084 -5.308) 6.233 27.565 ( -0.441 -0.744 0.360) 0.937 27.572 ( -0.583 -1.035 0.364) 1.242 27.679 ( -0.266 -0.424 1.399) 1.486 27.734 ( 0.765 1.259 0.463) 1.544 27.767 ( 0.276 0.385 -0.228) 0.526 27.769 ( 0.187 0.453 -0.157) 0.515 29.222 ( -0.744 -1.044 -0.279) 1.312 29.313 ( 1.954 3.012 0.091) 3.591 29.516 ( -1.034 -1.789 -6.720) 7.031 29.573 ( -0.985 -1.484 -4.739) 5.062 29.659 ( 0.317 0.180 -4.407) 4.422 29.685 ( 0.424 1.054 -4.811) 4.943 30.150 ( 1.980 -1.144 10.522) 10.768 30.191 ( -2.540 2.714 9.199) 9.922 30.275 ( 3.525 3.861 7.885) 9.460 30.357 ( 3.277 4.950 5.942) 8.399 30.723 ( -3.036 -5.047 11.300) 12.743 31.028 ( -7.378 -12.120 8.409) 16.494 31.243 ( -0.389 -0.448 0.200) 0.626 31.358 ( 3.220 4.528 4.095) 6.902 31.602 ( 0.216 0.733 0.610) 0.977 31.829 ( 0.962 1.661 -12.407) 12.555 32.554 ( 5.049 8.719 -7.459) 12.536 33.130 ( -3.191 -5.519 -13.386) 14.826 ======================= Grid point 95 (22/40) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 3.373 10.936 14.194) 18.233 1.935 ( -0.930 5.234 8.646) 10.149 2.206 ( 2.903 -2.071 28.588) 28.810 2.326 ( 0.450 6.933 11.443) 13.387 2.482 ( -1.241 -4.798 7.385) 8.894 2.583 ( 3.680 4.398 11.596) 12.936 2.756 ( 1.896 5.282 11.408) 12.714 2.997 ( -2.007 -1.370 3.683) 4.413 3.013 ( 6.087 3.002 3.040) 7.437 3.119 ( -4.089 -3.120 6.949) 8.645 3.270 ( 0.219 -16.361 7.203) 17.878 3.324 ( -1.960 1.897 4.144) 4.961 3.411 ( -3.031 2.135 9.746) 10.428 3.663 ( 6.576 -9.280 0.296) 11.378 3.720 ( -5.321 9.140 2.414) 10.848 3.740 ( 3.519 4.755 2.923) 6.598 3.857 ( 5.890 2.853 9.012) 11.138 3.906 ( -5.049 -4.098 -4.253) 7.770 4.150 ( 1.937 -1.765 1.295) 2.923 4.207 ( 7.097 -6.291 2.842) 9.900 4.390 ( -8.385 6.696 11.795) 15.946 4.453 ( 3.310 -0.800 0.882) 3.518 4.635 ( 1.865 2.005 -0.781) 2.848 4.648 ( 1.321 5.111 6.859) 8.655 4.758 ( -5.815 0.169 9.354) 11.016 4.811 ( -1.001 11.102 -2.080) 11.340 5.011 ( -0.411 6.907 8.076) 10.634 5.095 ( 4.747 8.886 -3.801) 10.767 5.160 ( -1.964 0.420 5.336) 5.701 5.241 ( 4.078 -5.858 6.312) 9.528 5.299 ( 2.793 -0.175 4.953) 5.689 5.383 ( 1.099 1.481 -4.515) 4.877 5.510 ( -6.391 -9.330 3.154) 11.740 5.578 ( -1.395 -3.442 1.349) 3.952 5.668 ( -0.074 -1.573 5.353) 5.580 5.684 ( 0.981 -0.843 9.454) 9.542 5.766 ( -4.702 -0.742 4.553) 6.587 5.795 ( -1.653 -0.240 -11.562) 11.682 5.929 ( 0.180 -3.712 -0.126) 3.718 6.002 ( 0.820 -3.559 0.746) 3.727 6.054 ( 2.039 -2.245 -5.252) 6.065 6.122 ( -2.825 -1.038 2.551) 3.946 6.227 ( -2.259 -1.718 -0.999) 3.009 6.307 ( 0.873 -0.470 1.161) 1.527 6.423 ( 0.397 4.759 2.880) 5.577 6.480 ( -0.612 -7.715 2.572) 8.155 6.538 ( -2.575 1.371 -1.020) 3.091 6.650 ( 0.792 -1.919 3.528) 4.094 6.732 ( 0.065 -4.103 -0.028) 4.103 6.929 ( -3.413 3.398 0.042) 4.816 7.008 ( 4.271 -2.153 -0.941) 4.875 7.107 ( 1.561 -4.546 0.720) 4.860 7.325 ( -1.226 2.322 -5.785) 6.353 7.345 ( -0.682 4.113 -5.793) 7.137 7.401 ( 1.027 1.823 2.768) 3.470 7.533 ( 1.448 4.044 -4.194) 6.003 7.722 ( -2.642 5.542 -4.710) 7.738 7.775 ( 5.395 4.313 -1.657) 7.103 7.823 ( -1.650 -5.772 -3.832) 7.122 7.938 ( -1.282 -2.963 0.224) 3.236 8.152 ( 0.846 2.268 -1.187) 2.696 8.214 ( 0.169 0.281 -4.854) 4.865 8.316 ( 2.172 -1.767 0.693) 2.884 8.328 ( -1.311 -3.043 0.726) 3.392 8.447 ( 0.632 3.036 -0.490) 3.139 8.490 ( 2.801 2.260 0.511) 3.635 8.575 ( -1.520 -2.112 -1.231) 2.879 8.843 ( -3.893 6.783 -5.110) 9.342 9.111 ( 10.689 -0.181 -6.816) 12.679 9.287 ( 3.011 6.027 -15.382) 16.792 9.402 ( -2.909 -3.212 -15.051) 15.663 9.557 ( -9.267 -8.481 -13.953) 18.774 12.064 ( 0.211 -2.423 4.352) 4.985 12.227 ( -3.339 3.113 7.751) 8.996 12.281 ( 2.470 -0.718 11.154) 11.446 12.467 ( 1.006 -2.504 -1.592) 3.133 12.682 ( -0.752 1.331 -0.523) 1.615 12.759 ( 0.401 -3.438 1.628) 3.825 12.799 ( -1.517 2.915 4.496) 5.569 12.887 ( 4.608 4.460 2.248) 6.796 13.147 ( -4.506 -6.643 -3.597) 8.796 13.263 ( -0.351 0.337 -4.699) 4.725 13.698 ( 3.206 4.234 -3.253) 6.228 13.815 ( -1.520 -1.587 -4.673) 5.163 15.780 ( -0.023 0.133 1.281) 1.288 15.785 ( -1.031 -1.284 2.104) 2.672 15.836 ( -0.135 0.066 2.499) 2.503 16.019 ( -0.228 -0.297 0.552) 0.667 16.035 ( -0.597 -1.722 1.328) 2.255 16.209 ( 0.093 -0.272 1.553) 1.579 16.290 ( -0.939 0.729 1.248) 1.723 16.369 ( 2.197 2.150 3.166) 4.413 16.507 ( -1.964 -3.855 3.258) 5.416 16.687 ( 0.048 -0.136 -6.758) 6.760 16.927 ( 1.797 3.398 -1.815) 4.251 17.081 ( -1.885 -3.475 -2.608) 4.736 17.326 ( -0.265 -0.103 5.451) 5.458 17.572 ( -0.579 1.756 -1.353) 2.292 17.668 ( 1.630 -2.664 -2.258) 3.853 17.775 ( -0.153 1.112 0.267) 1.154 17.815 ( 0.390 -0.708 -1.565) 1.762 17.898 ( 0.151 2.671 -6.773) 7.282 27.553 ( -0.175 -0.312 0.387) 0.527 27.556 ( -0.294 -0.449 0.401) 0.670 27.672 ( -0.023 -0.410 1.785) 1.831 27.755 ( 0.222 0.901 0.328) 0.985 27.773 ( 0.037 0.060 -0.183) 0.196 27.775 ( 0.183 0.090 -0.064) 0.213 29.206 ( 0.310 -1.346 -0.599) 1.505 29.372 ( -0.007 3.961 -0.360) 3.978 29.494 ( 0.613 -1.204 -3.943) 4.168 29.528 ( -1.394 -2.104 -5.462) 6.017 29.672 ( -0.053 1.010 -5.350) 5.444 29.697 ( 0.189 0.432 -5.353) 5.374 30.155 ( -1.347 0.502 12.453) 12.536 30.204 ( 2.468 -0.262 8.744) 9.089 30.372 ( 1.521 5.446 9.080) 10.697 30.473 ( 3.514 3.457 5.814) 7.623 30.612 ( -2.611 -5.059 10.613) 12.044 30.814 ( -4.263 -7.588 9.899) 13.181 31.230 ( -1.225 1.233 -1.467) 2.275 31.464 ( 3.511 2.970 3.727) 5.919 31.582 ( -1.552 -1.744 2.757) 3.613 31.860 ( 0.625 1.089 -15.217) 15.268 32.709 ( 2.919 6.789 -8.580) 11.324 33.008 ( -2.548 -6.411 -12.593) 14.359 ======================= Grid point 96 (23/40) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -10.167 3.069 13.177) 16.924 2.037 ( -5.690 6.809 13.298) 15.987 2.105 ( -0.544 -7.378 16.200) 17.809 2.312 ( -2.575 -4.359 21.415) 22.005 2.388 ( -4.708 11.800 9.321) 15.757 2.729 ( 2.280 -10.345 5.897) 12.124 2.843 ( -10.965 -0.382 8.150) 13.668 2.963 ( 7.780 3.411 6.737) 10.842 2.971 ( -1.028 -4.905 7.108) 8.697 3.067 ( 5.921 3.346 9.101) 11.362 3.269 ( 6.052 0.682 5.116) 7.954 3.335 ( -5.977 -0.376 5.431) 8.085 3.430 ( 6.075 3.407 3.927) 7.996 3.573 ( -2.105 -5.198 5.046) 7.544 3.684 ( -5.070 -4.984 12.494) 14.375 3.843 ( 0.987 5.471 -7.262) 9.145 3.914 ( 4.606 0.175 -2.950) 5.473 4.004 ( 4.178 0.511 8.125) 9.150 4.040 ( -2.516 -9.515 -6.931) 12.038 4.158 ( -2.591 -2.088 9.888) 10.432 4.357 ( -2.728 5.165 1.207) 5.965 4.556 ( -2.167 -4.089 11.912) 12.779 4.572 ( -3.110 3.578 4.256) 6.371 4.640 ( -4.224 1.964 6.862) 8.294 4.754 ( 0.259 5.464 2.920) 6.201 4.844 ( -2.972 3.320 -2.421) 5.071 5.010 ( -8.368 6.919 8.640) 13.876 5.057 ( -4.556 2.579 5.970) 7.940 5.144 ( -5.839 -4.245 -0.770) 7.260 5.261 ( 0.008 -3.152 1.243) 3.388 5.286 ( -1.337 -2.532 -0.575) 2.921 5.426 ( 9.699 2.336 3.611) 10.610 5.496 ( 3.880 -5.945 2.947) 7.687 5.620 ( -0.398 -3.521 0.268) 3.554 5.660 ( 2.526 1.941 11.296) 11.736 5.681 ( 5.633 6.287 0.474) 8.455 5.760 ( 1.868 1.379 -2.216) 3.209 5.818 ( 3.574 0.086 -1.442) 3.855 5.887 ( 0.394 -3.599 -0.223) 3.627 6.001 ( 1.674 -0.542 -3.234) 3.682 6.022 ( 1.234 -1.871 0.579) 2.315 6.159 ( 2.456 0.045 3.306) 4.119 6.241 ( 3.447 0.166 -3.260) 4.747 6.321 ( -0.133 -1.103 1.297) 1.708 6.366 ( -2.303 2.637 1.733) 3.906 6.468 ( 0.033 0.143 2.035) 2.041 6.540 ( 1.612 -0.533 -0.335) 1.731 6.691 ( 3.296 1.678 3.977) 5.431 6.739 ( 6.109 -5.893 1.261) 8.581 6.908 ( -3.100 3.689 -2.237) 5.313 7.044 ( -0.228 -0.916 -1.057) 1.417 7.069 ( 2.160 -5.053 1.786) 5.779 7.314 ( -2.287 2.371 -7.002) 7.738 7.366 ( -1.694 2.694 -3.121) 4.457 7.394 ( -2.268 -0.432 1.409) 2.705 7.545 ( -3.424 0.115 -4.263) 5.470 7.699 ( -5.943 4.448 -4.756) 8.816 7.795 ( -0.533 -1.807 -0.982) 2.125 7.830 ( 1.651 -1.306 -4.539) 5.003 7.931 ( 3.603 -0.277 0.152) 3.616 8.149 ( -2.530 0.522 -0.091) 2.584 8.213 ( -0.347 0.105 -5.891) 5.902 8.302 ( 0.785 -1.805 0.423) 2.013 8.353 ( 4.075 -1.952 1.030) 4.634 8.445 ( -3.196 1.018 -0.061) 3.354 8.482 ( -3.814 -0.543 0.122) 3.855 8.593 ( 4.032 -1.129 -0.985) 4.301 8.804 ( -7.019 7.344 -4.941) 11.297 9.127 ( -4.096 -8.441 -7.339) 11.912 9.291 ( -6.595 0.071 -17.863) 19.042 9.419 ( 3.673 -0.525 -11.123) 11.725 9.540 ( 12.555 5.146 -15.259) 20.420 12.064 ( 2.081 -1.454 4.350) 5.037 12.215 ( -1.788 3.713 8.114) 9.101 12.296 ( 0.342 -1.756 10.990) 11.135 12.462 ( 1.254 -2.032 -1.592) 2.870 12.683 ( -1.092 1.495 -1.041) 2.124 12.750 ( 2.422 -1.605 2.176) 3.629 12.808 ( -1.008 2.170 5.025) 5.565 12.889 ( -6.130 -1.864 1.412) 6.561 13.147 ( 8.067 0.587 -3.469) 8.800 13.263 ( -0.186 0.497 -4.751) 4.780 13.699 ( -5.256 -0.682 -3.281) 6.233 13.815 ( 2.129 0.542 -4.644) 5.137 15.770 ( 0.192 0.289 1.360) 1.403 15.800 ( 2.126 -0.178 2.240) 3.093 15.830 ( -0.767 0.375 2.266) 2.422 16.017 ( 0.394 0.053 0.646) 0.758 16.035 ( 1.669 -0.316 1.290) 2.133 16.214 ( 0.682 -0.447 1.330) 1.560 16.279 ( -1.266 1.400 1.885) 2.667 16.380 ( -2.300 -0.918 2.625) 3.609 16.505 ( 4.362 -0.162 3.367) 5.513 16.686 ( 0.085 -0.107 -6.770) 6.771 16.927 ( -3.839 0.142 -1.813) 4.248 17.081 ( 3.952 -0.104 -2.610) 4.737 17.326 ( 0.178 0.193 5.440) 5.446 17.573 ( -1.112 1.353 -1.267) 2.161 17.673 ( 2.047 -3.113 -2.714) 4.610 17.768 ( -1.653 1.099 0.112) 1.988 17.812 ( 0.068 -0.483 -1.005) 1.117 17.903 ( -1.911 0.970 -6.798) 7.128 27.554 ( 0.341 -0.041 0.366) 0.502 27.555 ( 0.550 0.067 0.425) 0.698 27.672 ( 0.382 -0.191 1.785) 1.836 27.754 ( -0.916 0.268 0.316) 1.006 27.773 ( -0.124 -0.003 -0.103) 0.161 27.775 ( -0.103 -0.118 -0.134) 0.206 29.207 ( 1.109 -0.990 -0.612) 1.608 29.369 ( -3.577 2.049 -0.374) 4.139 29.495 ( 0.717 -1.092 -4.191) 4.390 29.530 ( 2.634 0.081 -5.104) 5.744 29.669 ( -1.004 0.586 -5.417) 5.540 29.700 ( -0.333 0.026 -5.425) 5.435 30.141 ( -0.870 1.044 12.317) 12.391 30.226 ( 0.981 -2.284 8.499) 8.855 30.371 ( -6.453 1.824 9.977) 12.021 30.455 ( -4.309 -0.989 5.996) 7.449 30.622 ( 5.182 -0.562 10.048) 11.320 30.817 ( 9.012 -0.219 9.708) 13.248 31.230 ( -0.448 1.710 -1.310) 2.201 31.458 ( -4.585 -1.378 3.669) 6.031 31.585 ( 2.365 0.329 2.778) 3.663 31.860 ( -1.249 -0.001 -15.216) 15.267 32.709 ( -7.351 0.874 -8.594) 11.342 33.008 ( 6.828 -1.002 -12.583) 14.351 ======================= Grid point 101 (24/40) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.000 -0.000 19.065) 19.065 2.024 ( -1.606 -3.211 10.681) 11.268 2.024 ( 1.606 3.211 10.681) 11.268 2.418 ( -0.000 -0.000 5.057) 5.057 2.532 ( 0.000 -0.000 17.628) 17.628 2.747 ( -4.828 -9.656 9.073) 14.102 2.747 ( 4.828 9.656 9.073) 14.102 2.968 ( -0.000 -0.000 11.132) 11.132 2.999 ( -0.091 -0.182 3.114) 3.121 2.999 ( 0.091 0.182 3.114) 3.121 3.214 ( -5.088 -10.176 7.742) 13.762 3.214 ( 5.088 10.176 7.742) 13.762 3.449 ( -0.000 -0.000 10.903) 10.903 3.571 ( -0.000 -0.000 -0.976) 0.976 3.778 ( -0.000 -0.000 5.744) 5.744 3.873 ( -0.684 -1.368 -0.857) 1.753 3.873 ( 0.684 1.368 -0.857) 1.753 3.994 ( 0.000 -0.000 -4.640) 4.640 4.021 ( -3.158 -6.315 5.278) 8.815 4.021 ( 3.158 6.315 5.278) 8.815 4.488 ( -1.689 -3.378 0.532) 3.814 4.488 ( 1.689 3.378 0.532) 3.813 4.703 ( -0.000 0.000 21.086) 21.086 4.741 ( -0.490 -0.979 5.015) 5.133 4.741 ( 0.490 0.979 5.015) 5.133 4.989 ( 0.000 -0.000 -6.468) 6.468 5.088 ( -0.406 -0.812 11.522) 11.558 5.088 ( 0.406 0.812 11.522) 11.558 5.209 ( -0.790 -1.580 2.906) 3.401 5.209 ( 0.790 1.580 2.906) 3.401 5.331 ( -3.600 -7.199 1.092) 8.123 5.331 ( 3.600 7.199 1.092) 8.123 5.348 ( -0.000 -0.000 -12.014) 12.014 5.620 ( 0.000 -0.000 0.584) 0.584 5.682 ( -1.667 -3.335 14.008) 14.496 5.682 ( 1.667 3.335 14.008) 14.496 5.761 ( -2.035 -4.071 -0.411) 4.570 5.761 ( 2.035 4.071 -0.411) 4.570 5.786 ( 0.000 0.000 -11.530) 11.530 6.020 ( -0.646 -1.292 -6.033) 6.203 6.020 ( 0.646 1.292 -6.033) 6.203 6.082 ( -0.000 0.000 0.733) 0.733 6.206 ( -0.000 -0.000 0.799) 0.799 6.357 ( -1.670 -3.341 1.934) 4.206 6.357 ( 1.670 3.341 1.934) 4.206 6.535 ( -1.928 -3.857 3.245) 5.397 6.535 ( 1.928 3.857 3.245) 5.397 6.585 ( -0.000 -0.000 3.542) 3.542 6.659 ( 0.000 -0.000 4.874) 4.874 6.998 ( -1.344 -2.688 -0.564) 3.058 6.998 ( 1.344 2.688 -0.564) 3.058 7.035 ( -0.000 -0.000 1.561) 1.561 7.359 ( -0.632 -1.264 -7.406) 7.539 7.359 ( 0.632 1.264 -7.406) 7.539 7.438 ( -0.000 -0.000 6.090) 6.090 7.661 ( -3.393 -6.786 -4.074) 8.612 7.661 ( 3.393 6.786 -4.074) 8.612 7.835 ( 0.000 -0.000 -4.401) 4.401 7.849 ( -1.809 -3.618 -1.885) 4.462 7.849 ( 1.809 3.618 -1.885) 4.462 8.190 ( 0.000 -0.000 -2.060) 2.060 8.219 ( -0.000 -0.000 -4.312) 4.312 8.284 ( -0.339 -0.677 0.811) 1.110 8.284 ( 0.339 0.677 0.811) 1.110 8.502 ( -0.776 -1.553 0.886) 1.949 8.502 ( 0.776 1.553 0.886) 1.949 8.549 ( -0.000 -0.000 -2.002) 2.002 9.003 ( -4.092 -8.184 -6.812) 11.407 9.003 ( 4.092 8.184 -6.812) 11.407 9.402 ( 0.000 -0.000 -13.172) 13.172 9.402 ( -2.059 -4.117 -16.661) 17.286 9.402 ( 2.059 4.118 -16.661) 17.286 12.037 ( -0.000 -0.000 4.165) 4.165 12.269 ( -0.571 -1.143 10.574) 10.650 12.269 ( 0.571 1.143 10.574) 10.650 12.431 ( -0.000 -0.000 -3.736) 3.736 12.705 ( -0.683 -1.366 0.965) 1.806 12.705 ( 0.683 1.366 0.965) 1.806 12.840 ( -0.000 -0.000 6.646) 6.646 13.005 ( -3.184 -6.368 -1.665) 7.312 13.005 ( 3.184 6.368 -1.665) 7.312 13.269 ( -0.000 -0.000 -4.617) 4.617 13.771 ( -1.310 -2.621 -4.213) 5.132 13.771 ( 1.310 2.621 -4.213) 5.132 15.776 ( -0.201 -0.403 1.636) 1.697 15.776 ( 0.201 0.403 1.636) 1.697 15.840 ( -0.000 -0.000 2.851) 2.851 16.015 ( -0.036 -0.073 0.684) 0.688 16.015 ( 0.036 0.073 0.684) 0.688 16.204 ( -0.000 -0.000 2.444) 2.444 16.301 ( -0.000 -0.000 0.549) 0.549 16.428 ( -1.608 -3.216 3.477) 5.001 16.428 ( 1.608 3.216 3.477) 5.001 16.685 ( -0.000 -0.000 -6.767) 6.767 17.004 ( -1.830 -3.660 -2.617) 4.857 17.004 ( 1.830 3.660 -2.617) 4.857 17.326 ( -0.000 -0.000 5.625) 5.625 17.614 ( -1.130 -2.259 -1.866) 3.140 17.614 ( 1.130 2.259 -1.866) 3.140 17.797 ( -0.477 -0.954 -0.135) 1.075 17.797 ( 0.477 0.954 -0.135) 1.075 17.928 ( -0.000 -0.000 -7.816) 7.816 27.551 ( -0.020 -0.040 0.391) 0.393 27.551 ( 0.020 0.040 0.391) 0.393 27.667 ( -0.000 -0.000 1.940) 1.940 27.770 ( -0.234 -0.468 0.161) 0.547 27.770 ( 0.234 0.468 0.161) 0.547 27.774 ( 0.000 -0.000 -0.248) 0.248 29.191 ( -0.000 -0.000 -0.625) 0.625 29.449 ( -1.561 -3.121 -0.382) 3.511 29.449 ( 1.561 3.121 -0.382) 3.511 29.503 ( -0.000 -0.000 -9.021) 9.021 29.693 ( -0.394 -0.789 -5.459) 5.530 29.693 ( 0.394 0.789 -5.459) 5.530 30.181 ( -0.958 -1.916 10.415) 10.633 30.181 ( 0.958 1.916 10.415) 10.633 30.495 ( -0.000 -0.000 14.336) 14.336 30.505 ( -0.390 -0.781 6.073) 6.135 30.505 ( 0.390 0.781 6.073) 6.135 30.725 ( -0.000 -0.000 10.516) 10.516 31.243 ( -0.000 -0.000 -3.225) 3.225 31.529 ( -1.533 -3.067 3.978) 5.251 31.529 ( 1.533 3.067 3.978) 5.251 31.872 ( -0.000 0.000 -16.101) 16.101 32.860 ( -3.592 -7.185 -10.454) 13.184 32.860 ( 3.592 7.185 -10.454) 13.184 ======================= Grid point 129 (25/40) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.000 0.000 21.102) 21.102 1.865 ( 0.000 0.000 21.102) 21.102 2.280 ( 0.000 -0.000 -6.205) 6.205 2.280 ( 0.000 0.000 -6.205) 6.205 2.591 ( 0.000 0.000 17.385) 17.385 2.591 ( 0.000 -0.000 17.385) 17.385 2.994 ( 0.000 0.000 8.505) 8.505 3.146 ( 0.000 -0.000 14.068) 14.068 3.321 ( 0.000 -0.000 13.168) 13.168 3.321 ( -0.000 0.000 13.168) 13.168 3.375 ( -0.000 -0.000 -0.038) 0.038 3.375 ( 0.000 -0.000 -0.038) 0.038 3.517 ( 0.000 0.000 22.929) 22.929 3.595 ( 0.000 0.000 -23.292) 23.292 3.595 ( 0.000 -0.000 -23.292) 23.292 3.852 ( 0.000 0.000 4.895) 4.895 3.927 ( 0.000 0.000 1.231) 1.231 3.927 ( -0.000 0.000 1.231) 1.231 4.052 ( -0.000 -0.000 49.653) 49.653 4.121 ( 0.000 0.000 -2.838) 2.838 4.121 ( 0.000 0.000 -2.838) 2.838 4.375 ( 0.000 0.000 4.800) 4.800 4.763 ( 0.000 -0.000 1.116) 1.116 4.763 ( 0.000 0.000 1.116) 1.116 4.868 ( 0.000 0.000 -2.267) 2.267 4.868 ( 0.000 0.000 -2.267) 2.267 4.874 ( 0.000 0.000 -11.493) 11.493 5.020 ( -0.000 0.000 15.344) 15.344 5.216 ( 0.000 0.000 -5.202) 5.202 5.329 ( 0.000 0.000 4.008) 4.008 5.329 ( 0.000 0.000 4.008) 4.008 5.387 ( 0.000 0.000 -1.069) 1.069 5.387 ( -0.000 0.000 -1.069) 1.069 5.819 ( -0.000 -0.000 0.751) 0.751 5.898 ( -0.000 0.000 5.718) 5.718 5.898 ( -0.000 0.000 5.718) 5.718 5.919 ( 0.000 0.000 3.073) 3.073 6.052 ( 0.000 0.000 5.866) 5.866 6.052 ( 0.000 -0.000 5.866) 5.866 6.074 ( 0.000 -0.000 -3.989) 3.989 6.147 ( -0.000 0.000 -19.958) 19.958 6.266 ( 0.000 0.000 -0.170) 0.170 6.266 ( 0.000 0.000 -0.170) 0.170 6.336 ( -0.000 0.000 -4.785) 4.785 6.336 ( 0.000 0.000 -4.785) 4.785 6.555 ( 0.000 0.000 -19.585) 19.585 6.557 ( 0.000 0.000 11.521) 11.521 6.614 ( -0.000 0.000 2.451) 2.451 6.614 ( 0.000 0.000 2.451) 2.451 6.726 ( -0.000 0.000 16.799) 16.799 6.922 ( 0.000 0.000 -6.702) 6.702 6.922 ( -0.000 0.000 -6.702) 6.702 7.307 ( 0.000 0.000 -9.248) 9.248 7.362 ( 0.000 0.000 -8.151) 8.151 7.414 ( 0.000 0.000 5.587) 5.587 7.414 ( 0.000 0.000 5.587) 5.587 7.460 ( 0.000 -0.000 -0.168) 0.168 7.460 ( 0.000 -0.000 -0.168) 0.168 7.975 ( 0.000 -0.000 1.810) 1.810 8.090 ( -0.000 0.000 -3.848) 3.848 8.097 ( -0.000 0.000 1.616) 1.616 8.097 ( 0.000 0.000 1.616) 1.616 8.154 ( -0.000 0.000 -3.052) 3.052 8.154 ( 0.000 0.000 -3.052) 3.052 8.390 ( 0.000 0.000 3.522) 3.522 8.613 ( 0.000 0.000 -0.278) 0.278 8.613 ( -0.000 -0.000 -0.278) 0.278 8.698 ( 0.000 0.000 -11.993) 11.993 8.703 ( -0.000 0.000 -3.483) 3.483 8.703 ( 0.000 0.000 -3.483) 3.483 9.639 ( 0.000 0.000 -0.627) 0.627 9.922 ( -0.000 0.000 -14.772) 14.772 12.258 ( 0.000 0.000 5.381) 5.381 12.258 ( 0.000 0.000 5.381) 5.381 12.410 ( 0.000 0.000 -2.326) 2.326 12.410 ( -0.000 0.000 -2.326) 2.326 12.560 ( -0.000 0.000 15.476) 15.476 12.887 ( 0.000 -0.000 5.336) 5.336 12.887 ( 0.000 0.000 5.336) 5.336 13.048 ( 0.000 -0.000 -7.480) 7.480 13.134 ( 0.000 -0.000 -6.978) 6.978 13.134 ( -0.000 0.000 -6.978) 6.978 13.511 ( -0.000 -0.000 1.790) 1.790 13.720 ( 0.000 -0.000 -6.804) 6.804 15.841 ( 0.000 0.000 4.264) 4.264 15.841 ( 0.000 -0.000 4.264) 4.264 16.015 ( 0.000 -0.000 -2.564) 2.564 16.015 ( -0.000 -0.000 -2.564) 2.564 16.185 ( 0.000 0.000 1.830) 1.830 16.256 ( 0.000 0.000 -2.461) 2.461 16.336 ( 0.000 0.000 3.429) 3.429 16.336 ( 0.000 0.000 3.429) 3.429 16.535 ( 0.000 0.000 -7.429) 7.429 16.535 ( -0.000 0.000 -7.429) 7.429 17.088 ( -0.000 0.000 4.903) 4.903 17.204 ( -0.000 0.000 -1.768) 1.768 17.467 ( 0.000 0.000 5.180) 5.180 17.467 ( 0.000 -0.000 5.180) 5.180 17.681 ( 0.000 -0.000 -5.480) 5.480 17.681 ( 0.000 -0.000 -5.480) 5.480 17.690 ( 0.000 0.000 1.909) 1.909 17.733 ( -0.000 0.000 -0.330) 0.330 27.596 ( 0.000 -0.000 0.465) 0.465 27.609 ( 0.000 0.000 -0.157) 0.157 27.708 ( -0.000 -0.000 1.164) 1.164 27.708 ( 0.000 0.000 1.164) 1.164 27.746 ( 0.000 0.000 -0.659) 0.659 27.746 ( -0.000 0.000 -0.659) 0.659 29.268 ( 0.000 0.000 1.987) 1.987 29.268 ( 0.000 0.000 1.987) 1.987 29.431 ( -0.000 -0.000 -6.692) 6.692 29.431 ( 0.000 0.000 -6.692) 6.692 29.617 ( 0.000 0.000 -0.962) 0.962 29.645 ( 0.000 0.000 -1.609) 1.609 30.259 ( -0.000 -0.000 4.838) 4.838 30.259 ( 0.000 0.000 4.838) 4.838 30.305 ( 0.000 0.000 2.279) 2.279 30.305 ( 0.000 0.000 2.279) 2.279 31.098 ( 0.000 0.000 13.241) 13.241 31.314 ( 0.000 0.000 4.869) 4.869 31.314 ( 0.000 -0.000 4.869) 4.869 31.495 ( -0.000 0.000 -3.696) 3.696 31.495 ( 0.000 -0.000 -3.696) 3.696 31.529 ( 0.000 0.000 -9.412) 9.412 32.410 ( 0.000 0.000 11.265) 11.265 32.953 ( 0.000 -0.000 -16.228) 16.228 ======================= Grid point 130 (26/40) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 3.553 1.845 22.553) 22.905 1.969 ( 7.178 3.959 19.979) 21.596 2.290 ( 0.869 2.643 -2.382) 3.663 2.347 ( 6.368 1.904 -1.949) 6.926 2.605 ( 2.235 2.068 9.008) 9.509 2.703 ( 7.017 3.102 11.740) 14.025 2.861 ( -6.940 -4.074 3.223) 8.669 3.080 ( -8.391 -3.542 18.742) 20.838 3.203 ( -7.010 -3.066 0.018) 7.651 3.325 ( 5.539 0.910 7.399) 9.287 3.349 ( 2.605 1.346 12.332) 12.676 3.431 ( 3.392 0.312 2.884) 4.463 3.565 ( -0.902 -1.838 -12.408) 12.576 3.608 ( -0.022 1.057 -11.259) 11.308 3.694 ( 3.382 4.732 14.068) 15.223 3.890 ( 1.354 5.274 1.121) 5.559 3.963 ( 4.326 -6.371 0.837) 7.746 4.041 ( 4.194 4.345 -0.112) 6.040 4.083 ( -2.258 1.789 -4.013) 4.940 4.118 ( 1.020 2.007 24.481) 24.584 4.224 ( 10.586 3.583 -5.995) 12.682 4.291 ( -0.174 -0.291 20.807) 20.810 4.639 ( -5.637 -3.934 -3.750) 7.830 4.748 ( -2.284 -1.681 3.666) 4.635 4.796 ( -4.045 2.971 7.515) 9.037 4.908 ( 5.667 -3.430 0.711) 6.662 4.974 ( 5.136 4.583 -0.324) 6.892 5.150 ( 0.810 2.903 9.925) 10.372 5.172 ( -2.686 -2.614 -7.924) 8.765 5.273 ( -0.133 -1.455 3.180) 3.499 5.317 ( -3.932 -0.142 -1.677) 4.277 5.359 ( 0.009 -2.333 -0.085) 2.335 5.416 ( 2.818 3.206 -1.592) 4.556 5.733 ( -6.638 -5.091 -2.165) 8.641 5.854 ( -7.244 -0.852 2.137) 7.600 5.870 ( 0.098 -6.546 -0.532) 6.568 5.901 ( -7.051 2.475 1.577) 7.637 5.973 ( 3.278 0.560 4.332) 5.462 6.051 ( -2.475 -0.482 -8.712) 9.070 6.067 ( 0.912 -4.328 2.509) 5.085 6.135 ( 1.809 3.795 5.236) 6.714 6.231 ( -4.507 -2.352 -3.992) 6.464 6.278 ( 0.480 -0.357 -1.636) 1.742 6.371 ( -1.310 -0.275 -1.528) 2.031 6.419 ( 5.099 1.782 1.051) 5.502 6.447 ( -2.138 1.218 1.032) 2.668 6.527 ( -0.512 -1.606 6.067) 6.297 6.588 ( 2.966 2.067 1.568) 3.941 6.732 ( 4.185 2.747 -7.814) 9.280 6.896 ( -0.219 -3.851 -3.554) 5.245 6.913 ( 5.710 6.027 2.841) 8.775 6.991 ( 5.810 3.692 -0.857) 6.937 7.288 ( -3.586 -1.880 -4.576) 6.110 7.309 ( 0.871 -0.532 -5.586) 5.679 7.385 ( -2.379 1.101 3.674) 4.514 7.433 ( -0.202 -3.097 0.801) 3.205 7.507 ( 4.095 5.669 1.917) 7.251 7.552 ( 6.574 1.748 1.143) 6.898 7.972 ( -0.034 -0.520 0.159) 0.545 7.995 ( -5.979 -2.140 -2.189) 6.717 8.074 ( -0.359 -1.659 -0.016) 1.697 8.117 ( -2.378 -0.565 -4.711) 5.308 8.172 ( 5.263 2.985 0.304) 6.059 8.238 ( 4.643 2.757 -3.360) 6.360 8.396 ( 0.632 0.162 3.570) 3.629 8.557 ( -3.307 -1.742 0.920) 3.850 8.646 ( 0.962 -0.934 -1.771) 2.221 8.688 ( -1.846 1.420 -3.261) 4.007 8.742 ( 4.978 2.049 -4.477) 7.002 8.766 ( 4.186 2.209 -12.860) 13.703 9.543 ( -7.861 -4.571 -2.619) 9.463 9.779 ( -11.552 -6.649 -14.120) 19.417 12.239 ( -1.352 -0.911 5.279) 5.525 12.289 ( 1.406 1.105 5.138) 5.440 12.393 ( -0.241 -0.512 -0.809) 0.987 12.457 ( 3.329 2.181 -1.911) 4.415 12.573 ( 0.853 0.455 10.848) 10.891 12.874 ( -0.726 -0.719 5.840) 5.929 12.896 ( 0.601 0.638 6.043) 6.106 12.930 ( -5.789 -3.335 -4.514) 8.063 13.131 ( -0.317 -0.185 -7.012) 7.022 13.210 ( 1.709 0.981 -9.579) 9.780 13.522 ( 1.706 0.985 2.979) 3.571 13.729 ( 0.596 0.344 -6.541) 6.577 15.837 ( -0.321 -0.150 4.356) 4.370 15.851 ( 0.899 0.475 4.434) 4.549 15.986 ( -2.508 -1.445 -0.809) 3.006 16.015 ( 0.040 0.027 -2.274) 2.274 16.158 ( -2.120 -1.201 1.862) 3.066 16.227 ( -1.917 -1.144 -1.909) 2.938 16.334 ( -0.234 0.037 3.403) 3.411 16.351 ( 1.399 0.646 3.250) 3.597 16.535 ( -0.044 -0.018 -7.311) 7.311 16.546 ( 0.743 0.425 -7.321) 7.371 17.009 ( -5.021 -2.899 6.611) 8.793 17.168 ( -2.938 -1.696 -2.409) 4.160 17.454 ( -0.769 -0.391 5.642) 5.708 17.505 ( 2.338 1.268 2.684) 3.779 17.652 ( -1.170 -0.741 -4.408) 4.621 17.689 ( 0.513 0.564 -4.916) 4.975 17.730 ( 2.746 1.371 0.647) 3.137 17.769 ( 1.861 1.117 -1.173) 2.467 27.586 ( -0.764 -0.442 0.418) 0.976 27.594 ( -1.030 -0.594 0.056) 1.190 27.709 ( 0.055 0.025 1.353) 1.355 27.725 ( 1.139 0.669 0.871) 1.582 27.751 ( 0.408 0.230 -0.702) 0.844 27.754 ( 0.594 0.345 -0.505) 0.852 29.256 ( -0.893 -0.568 1.764) 2.057 29.288 ( 1.501 0.936 1.929) 2.617 29.412 ( -1.343 -0.792 -6.493) 6.677 29.448 ( 1.170 0.675 -6.536) 6.674 29.618 ( 0.073 0.049 -1.403) 1.406 29.632 ( -1.069 -0.624 -1.398) 1.867 30.278 ( 1.466 1.022 5.379) 5.668 30.306 ( 3.938 1.955 5.381) 6.949 30.324 ( 1.501 0.929 3.058) 3.531 30.356 ( 4.124 2.465 2.409) 5.374 31.033 ( -4.787 -2.756 12.119) 13.319 31.289 ( -2.887 -0.902 3.813) 4.867 31.317 ( -8.190 -6.208 0.050) 10.277 31.374 ( 3.471 2.831 4.836) 6.592 31.523 ( 2.211 1.103 -5.245) 5.797 31.605 ( 1.737 1.052 -8.639) 8.874 32.449 ( 3.045 1.759 7.455) 8.243 32.922 ( -2.604 -1.504 -15.474) 15.764 ======================= Grid point 131 (27/40) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.539 -0.621 18.110) 18.128 2.085 ( 2.885 -1.539 12.023) 12.460 2.360 ( 1.785 5.624 0.926) 5.973 2.430 ( -1.644 0.147 2.887) 3.325 2.709 ( 8.367 3.409 5.753) 10.711 2.753 ( -1.681 5.048 9.366) 10.772 2.912 ( 11.961 -1.391 6.515) 13.691 3.067 ( 1.954 4.351 6.921) 8.405 3.078 ( 0.204 -0.461 -2.054) 2.115 3.316 ( -3.305 -10.916 7.757) 13.794 3.351 ( -4.408 1.073 14.442) 15.138 3.512 ( 1.974 8.344 6.188) 10.575 3.579 ( 3.536 -2.799 -8.173) 9.334 3.609 ( -1.142 -3.427 -5.327) 6.436 3.722 ( -0.637 2.922 17.074) 17.334 3.873 ( -2.457 -7.823 -2.650) 8.617 3.929 ( -3.091 -0.113 3.192) 4.445 4.034 ( 3.376 1.654 -0.578) 3.803 4.066 ( -7.403 9.612 1.076) 12.179 4.238 ( 9.138 0.959 -2.915) 9.640 4.403 ( 2.478 -2.234 -2.518) 4.180 4.459 ( 4.973 1.540 8.487) 9.956 4.525 ( -2.429 0.684 -0.487) 2.570 4.755 ( 1.108 7.293 3.984) 8.384 4.809 ( 5.187 -0.273 10.212) 11.457 4.926 ( 2.567 -3.966 9.077) 10.233 5.020 ( -5.046 -5.739 6.702) 10.164 5.097 ( -0.520 1.202 6.506) 6.636 5.185 ( -3.857 1.019 -0.626) 4.038 5.233 ( 9.009 3.802 0.878) 9.818 5.281 ( -1.760 -0.384 -4.525) 4.870 5.408 ( 3.146 0.105 -2.164) 3.820 5.486 ( 0.895 2.489 -2.861) 3.897 5.642 ( -7.758 -2.261 -6.742) 10.524 5.661 ( 0.030 0.202 -5.128) 5.132 5.792 ( -3.325 -7.975 2.357) 8.956 5.849 ( -2.618 1.087 2.010) 3.475 5.892 ( -7.588 0.405 1.896) 7.832 6.030 ( -0.240 -0.644 5.761) 5.801 6.124 ( 3.322 -6.072 0.851) 6.974 6.152 ( 1.924 -1.134 1.395) 2.633 6.220 ( -2.142 0.661 2.545) 3.391 6.234 ( 0.371 1.523 5.397) 5.620 6.339 ( -0.828 1.678 3.587) 4.045 6.409 ( -3.661 1.802 1.750) 4.440 6.532 ( 2.869 6.406 -0.061) 7.019 6.570 ( 3.265 -1.385 7.605) 8.391 6.652 ( 0.499 0.714 -6.300) 6.360 6.750 ( 0.568 -4.899 0.695) 4.981 6.826 ( -3.084 -0.601 -2.380) 3.942 7.010 ( 0.860 1.687 -2.349) 3.018 7.092 ( 2.179 -1.191 -3.842) 4.575 7.241 ( -1.722 1.724 1.966) 3.131 7.346 ( 2.593 -1.730 0.507) 3.158 7.409 ( 2.328 3.386 1.678) 4.439 7.437 ( 4.734 2.685 -0.721) 5.490 7.571 ( -0.465 0.625 1.300) 1.516 7.693 ( 5.434 0.896 -0.740) 5.557 7.864 ( -6.421 -2.035 0.107) 6.737 7.953 ( -0.433 -0.274 -1.506) 1.591 8.076 ( 1.366 -2.156 -6.935) 7.390 8.119 ( 1.539 3.809 -2.113) 4.620 8.302 ( 4.833 2.972 0.448) 5.692 8.353 ( 5.140 3.708 -2.722) 6.898 8.420 ( 2.739 -1.536 3.221) 4.499 8.488 ( -2.653 -0.057 2.786) 3.848 8.605 ( -1.371 -4.331 -2.616) 5.242 8.660 ( -4.580 2.530 -2.441) 5.774 8.862 ( 4.916 1.587 -15.597) 16.430 8.899 ( 7.455 4.727 -9.493) 12.963 9.320 ( -9.846 -6.866 -7.068) 13.929 9.462 ( -14.535 -7.603 -13.219) 21.067 12.203 ( -1.392 -1.117 4.809) 5.129 12.277 ( -2.006 -0.407 3.467) 4.026 12.436 ( 3.609 1.036 1.313) 3.977 12.524 ( 1.005 1.391 3.858) 4.223 12.596 ( 1.282 0.736 1.152) 1.874 12.829 ( -2.896 -1.535 -1.949) 3.813 12.866 ( 1.375 -1.256 5.374) 5.688 12.919 ( 0.283 2.131 6.179) 6.542 13.113 ( -1.471 -1.284 -6.767) 7.043 13.184 ( -2.553 -1.277 -6.284) 6.903 13.597 ( 4.002 2.301 0.574) 4.652 13.735 ( -0.351 -0.204 -5.542) 5.557 15.832 ( -0.043 0.244 4.625) 4.632 15.877 ( 1.236 -0.125 4.768) 4.927 15.915 ( -3.027 -1.176 3.105) 4.493 16.016 ( 0.021 0.027 -1.569) 1.570 16.101 ( -2.594 -1.413 1.567) 3.344 16.194 ( -0.719 -0.554 -2.606) 2.759 16.329 ( -0.352 0.082 3.440) 3.459 16.394 ( 2.350 1.055 2.760) 3.775 16.532 ( -0.310 -0.127 -5.866) 5.875 16.554 ( -0.325 -0.196 -6.338) 6.349 16.925 ( -1.586 -0.914 4.438) 4.800 17.084 ( -3.861 -2.229 -3.255) 5.520 17.443 ( -0.315 -0.061 6.425) 6.433 17.542 ( 0.913 0.227 0.702) 1.174 17.645 ( 0.441 0.236 -4.027) 4.058 17.705 ( 0.424 0.743 -4.535) 4.615 17.780 ( 1.659 0.531 -0.417) 1.791 17.799 ( 0.649 0.508 -1.375) 1.603 27.568 ( -0.620 -0.367 0.359) 0.805 27.572 ( -0.789 -0.447 0.219) 0.933 27.710 ( 0.070 0.020 1.747) 1.749 27.749 ( 0.735 0.491 0.542) 1.037 27.762 ( 0.462 0.206 -0.717) 0.877 27.767 ( 0.439 0.268 -0.255) 0.574 29.235 ( -0.702 -0.529 1.261) 1.537 29.320 ( 0.595 0.599 0.512) 0.987 29.393 ( 0.243 0.083 -5.237) 5.243 29.469 ( 0.423 0.143 -5.322) 5.340 29.603 ( -1.196 -0.557 -1.248) 1.816 29.620 ( 0.085 -0.063 -2.373) 2.376 30.322 ( 1.648 1.779 7.020) 7.427 30.361 ( 1.999 -0.038 5.122) 5.499 30.417 ( 5.230 2.982 5.614) 8.232 30.471 ( 4.900 3.281 2.235) 6.306 30.911 ( -5.278 -3.010 11.692) 13.177 31.094 ( -8.622 -4.984 3.860) 10.681 31.241 ( -2.069 -1.534 2.215) 3.397 31.467 ( 3.141 2.369 1.826) 4.337 31.571 ( 1.787 0.672 -9.706) 9.892 31.622 ( 0.214 0.185 -2.421) 2.438 32.531 ( 3.737 2.173 0.827) 4.401 32.842 ( -3.976 -2.305 -13.366) 14.135 ======================= Grid point 132 (28/40) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 0.000 11.952) 11.952 2.082 ( 0.000 0.000 9.407) 9.407 2.363 ( 0.000 0.000 5.328) 5.328 2.461 ( 0.000 -0.000 -6.429) 6.429 2.739 ( 0.000 0.000 13.486) 13.486 2.907 ( 0.000 -0.000 3.419) 3.419 2.961 ( 0.000 0.000 14.286) 14.286 3.125 ( 0.000 -0.000 6.425) 6.425 3.135 ( -0.000 -0.000 4.338) 4.338 3.249 ( 0.000 0.000 -3.329) 3.329 3.281 ( 0.000 0.000 13.661) 13.661 3.469 ( 0.000 -0.000 4.907) 4.907 3.618 ( 0.000 0.000 3.672) 3.672 3.630 ( 0.000 -0.000 -2.456) 2.456 3.701 ( 0.000 0.000 8.829) 8.829 3.789 ( 0.000 -0.000 -5.333) 5.333 3.947 ( 0.000 -0.000 16.336) 16.336 4.028 ( -0.000 0.000 -3.294) 3.294 4.117 ( 0.000 -0.000 -4.662) 4.662 4.316 ( -0.000 -0.000 2.233) 2.233 4.343 ( 0.000 0.000 -3.653) 3.653 4.483 ( 0.000 -0.000 -5.822) 5.822 4.533 ( 0.000 0.000 -5.466) 5.466 4.790 ( 0.000 -0.000 4.177) 4.177 4.852 ( -0.000 0.000 19.126) 19.126 4.957 ( 0.000 0.000 11.511) 11.511 5.014 ( 0.000 -0.000 3.778) 3.778 5.058 ( 0.000 -0.000 -1.790) 1.790 5.144 ( 0.000 0.000 -1.756) 1.756 5.264 ( 0.000 0.000 -13.552) 13.552 5.414 ( 0.000 -0.000 2.786) 2.786 5.470 ( 0.000 0.000 6.749) 6.749 5.534 ( -0.000 -0.000 -2.788) 2.788 5.554 ( 0.000 0.000 3.503) 3.503 5.592 ( 0.000 0.000 1.969) 1.969 5.677 ( 0.000 0.000 -3.664) 3.664 5.847 ( 0.000 0.000 1.281) 1.281 5.865 ( -0.000 -0.000 -2.391) 2.391 5.964 ( 0.000 -0.000 6.595) 6.595 6.096 ( 0.000 0.000 14.383) 14.383 6.179 ( 0.000 0.000 -2.490) 2.490 6.185 ( 0.000 -0.000 -2.049) 2.049 6.313 ( 0.000 -0.000 1.972) 1.972 6.331 ( -0.000 0.000 15.619) 15.619 6.359 ( 0.000 0.000 -1.170) 1.170 6.547 ( -0.000 -0.000 8.950) 8.950 6.632 ( 0.000 -0.000 0.069) 0.069 6.687 ( 0.000 0.000 -4.659) 4.659 6.740 ( 0.000 0.000 4.352) 4.352 6.747 ( -0.000 -0.000 -8.174) 8.174 7.020 ( 0.000 0.000 -3.869) 3.869 7.086 ( 0.000 0.000 -8.304) 8.304 7.250 ( 0.000 0.000 2.075) 2.075 7.346 ( 0.000 0.000 4.459) 4.459 7.482 ( -0.000 0.000 5.631) 5.631 7.545 ( 0.000 -0.000 2.233) 2.233 7.547 ( -0.000 0.000 -1.844) 1.844 7.720 ( 0.000 0.000 -5.645) 5.645 7.781 ( 0.000 0.000 -0.299) 0.299 7.958 ( 0.000 0.000 0.998) 0.998 8.080 ( -0.000 0.000 -7.646) 7.646 8.164 ( 0.000 -0.000 -2.086) 2.086 8.375 ( -0.000 -0.000 1.653) 1.653 8.388 ( 0.000 0.000 2.414) 2.414 8.458 ( 0.000 0.000 0.997) 0.997 8.523 ( 0.000 0.000 3.714) 3.714 8.566 ( -0.000 0.000 -6.346) 6.346 8.578 ( 0.000 -0.000 -1.834) 1.834 8.940 ( 0.000 0.000 -16.682) 16.682 9.036 ( 0.000 0.000 -19.621) 19.621 9.144 ( 0.000 -0.000 -6.179) 6.179 9.252 ( 0.000 0.000 -10.358) 10.358 12.183 ( 0.000 -0.000 4.478) 4.478 12.254 ( 0.000 0.000 2.937) 2.937 12.487 ( -0.000 0.000 -0.183) 0.183 12.524 ( 0.000 0.000 9.459) 9.459 12.615 ( 0.000 0.000 -2.368) 2.368 12.798 ( 0.000 -0.000 -0.855) 0.855 12.883 ( 0.000 0.000 5.524) 5.524 12.940 ( 0.000 0.000 1.995) 1.995 13.070 ( 0.000 0.000 -2.984) 2.984 13.156 ( 0.000 0.000 -5.400) 5.400 13.659 ( 0.000 0.000 -1.725) 1.725 13.719 ( 0.000 0.000 -4.322) 4.322 15.844 ( 0.000 0.000 4.987) 4.987 15.853 ( 0.000 0.000 4.367) 4.367 15.907 ( 0.000 0.000 5.226) 5.226 16.016 ( 0.000 -0.000 -0.870) 0.870 16.065 ( 0.000 0.000 0.846) 0.846 16.186 ( 0.000 0.000 -3.246) 3.246 16.326 ( 0.000 0.000 3.521) 3.521 16.429 ( -0.000 0.000 2.176) 2.176 16.523 ( 0.000 0.000 -1.624) 1.624 16.545 ( 0.000 0.000 -7.891) 7.891 16.921 ( 0.000 0.000 1.359) 1.359 17.026 ( 0.000 0.000 -3.211) 3.211 17.440 ( 0.000 0.000 6.767) 6.767 17.549 ( 0.000 0.000 0.212) 0.212 17.654 ( 0.000 -0.000 -3.946) 3.946 17.714 ( -0.000 0.000 -4.252) 4.252 17.801 ( -0.207 -0.038 -1.795) 1.807 17.801 ( 0.207 0.038 -0.558) 0.597 27.561 ( 0.000 0.000 0.299) 0.299 27.562 ( -0.000 -0.000 0.311) 0.311 27.711 ( 0.000 0.000 1.953) 1.953 27.757 ( 0.000 0.000 0.264) 0.264 27.768 ( 0.000 0.000 -0.567) 0.567 27.772 ( 0.000 0.000 -0.145) 0.145 29.226 ( 0.000 0.000 0.994) 0.994 29.322 ( 0.000 0.000 -1.634) 1.634 29.408 ( 0.000 0.000 -3.740) 3.740 29.468 ( 0.000 0.000 -3.638) 3.638 29.589 ( 0.000 0.000 -1.585) 1.585 29.621 ( 0.000 0.000 -2.933) 2.933 30.350 ( 0.000 0.000 8.530) 8.530 30.379 ( 0.000 -0.000 5.881) 5.881 30.495 ( 0.000 0.000 4.755) 4.755 30.542 ( 0.000 0.000 1.671) 1.671 30.836 ( -0.000 -0.000 12.270) 12.270 30.977 ( 0.000 0.000 6.364) 6.364 31.212 ( 0.000 0.000 0.840) 0.840 31.505 ( 0.000 0.000 -6.500) 6.500 31.597 ( 0.000 0.000 -6.038) 6.038 31.621 ( 0.000 -0.000 1.489) 1.489 32.589 ( -0.000 0.000 -2.737) 2.737 32.780 ( 0.000 0.000 -11.584) 11.584 ======================= Grid point 137 (29/40) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.552 2.022 19.077) 19.192 2.117 ( 1.969 9.023 16.000) 18.474 2.341 ( 7.610 -1.016 2.003) 7.934 2.466 ( 0.359 8.302 0.348) 8.317 2.614 ( 3.416 -1.082 8.037) 8.800 2.695 ( -1.437 -0.926 9.514) 9.666 2.867 ( -2.246 5.506 0.496) 5.967 2.986 ( 0.937 -4.862 7.726) 9.176 3.175 ( 1.617 -2.633 3.086) 4.367 3.265 ( -4.301 0.685 5.291) 6.853 3.383 ( -1.964 1.123 7.158) 7.507 3.518 ( 1.442 7.671 -4.885) 9.208 3.610 ( -1.248 0.530 0.805) 1.577 3.629 ( 2.951 3.472 12.035) 12.869 3.751 ( 5.590 -9.488 2.001) 11.193 3.811 ( -8.623 -0.141 -0.885) 8.669 3.972 ( 3.054 0.608 9.641) 10.131 3.978 ( -1.262 -11.144 -1.155) 11.274 4.095 ( 2.510 4.589 2.637) 5.857 4.228 ( 3.533 8.027 -7.505) 11.543 4.360 ( 2.124 11.190 6.608) 13.167 4.429 ( 3.839 6.333 7.345) 10.431 4.567 ( 0.479 -2.392 0.489) 2.488 4.725 ( -0.714 -2.086 6.355) 6.727 4.786 ( 3.513 -0.804 7.919) 8.701 4.919 ( -4.580 3.312 11.482) 12.798 5.046 ( 1.899 4.990 3.664) 6.475 5.131 ( 0.978 -0.682 -1.545) 1.951 5.194 ( -0.652 0.119 -7.560) 7.589 5.228 ( -2.041 -0.161 1.717) 2.672 5.319 ( 5.999 0.801 7.424) 9.578 5.357 ( -2.148 -0.479 -0.238) 2.214 5.481 ( 2.852 3.086 -4.481) 6.144 5.599 ( -6.357 -6.996 -9.166) 13.167 5.679 ( -3.532 -9.032 -3.658) 10.365 5.837 ( -3.764 -1.767 1.723) 4.501 5.867 ( -0.567 -6.505 1.850) 6.787 5.969 ( 5.424 -4.924 -1.926) 7.574 5.998 ( -4.484 0.287 -1.852) 4.860 6.056 ( -5.799 3.551 9.296) 11.517 6.142 ( -2.902 -3.689 6.078) 7.679 6.233 ( 3.252 1.379 2.774) 4.491 6.282 ( 0.129 0.398 1.410) 1.471 6.343 ( -0.319 -0.076 -1.621) 1.653 6.445 ( 2.203 1.386 -0.915) 2.759 6.448 ( 2.728 -3.464 6.792) 8.098 6.564 ( 0.449 4.529 -0.699) 4.604 6.656 ( 3.007 3.683 -0.488) 4.779 6.741 ( -2.817 -1.411 -1.068) 3.326 6.919 ( -0.275 5.491 -4.293) 6.975 6.983 ( 2.227 -4.604 2.987) 5.922 7.053 ( -0.100 4.966 -1.325) 5.141 7.272 ( 2.521 -1.773 -1.028) 3.250 7.309 ( -2.746 2.851 0.200) 3.963 7.392 ( 2.839 2.279 -0.796) 3.727 7.399 ( 0.215 -0.057 -0.929) 0.955 7.602 ( 3.669 2.711 2.503) 5.204 7.661 ( 1.565 8.404 1.150) 8.626 7.875 ( -2.627 -7.016 -1.570) 7.655 7.970 ( -1.255 -2.814 -2.937) 4.257 8.041 ( -2.247 -1.165 -5.073) 5.670 8.127 ( 2.588 2.449 -2.600) 4.411 8.262 ( 2.936 5.376 0.384) 6.137 8.318 ( 2.774 3.891 -2.282) 5.296 8.412 ( -0.249 2.452 2.815) 3.741 8.498 ( -1.224 -3.338 2.430) 4.307 8.621 ( -2.493 -1.446 -0.635) 2.951 8.720 ( 3.803 -1.079 -4.629) 6.087 8.813 ( 1.397 6.877 -7.107) 9.988 8.846 ( 3.155 4.936 -14.830) 15.945 9.382 ( -6.574 -10.429 -5.883) 13.660 9.552 ( -8.126 -14.707 -13.799) 21.742 12.196 ( -1.634 -2.560 5.258) 6.072 12.347 ( 4.793 0.268 4.601) 6.649 12.364 ( -3.888 1.666 -0.100) 4.231 12.517 ( 1.728 2.025 3.280) 4.225 12.591 ( 0.921 1.696 2.077) 2.835 12.836 ( -2.715 -4.280 -1.089) 5.184 12.875 ( -0.787 0.726 4.434) 4.562 12.912 ( 1.780 0.572 6.390) 6.658 13.127 ( -0.565 -0.600 -6.912) 6.961 13.198 ( -1.249 -2.332 -7.483) 7.937 13.571 ( 2.220 3.857 1.521) 4.703 13.736 ( 0.030 0.055 -5.919) 5.920 15.833 ( 0.069 -0.205 4.523) 4.528 15.869 ( 0.353 1.283 4.740) 4.923 15.937 ( -1.602 -3.110 2.104) 4.083 16.015 ( -0.010 -0.041 -1.816) 1.817 16.112 ( -1.736 -3.144 1.730) 3.986 16.203 ( -0.575 -0.779 -2.360) 2.550 16.335 ( 0.294 -0.126 3.360) 3.375 16.376 ( 0.830 2.066 3.023) 3.755 16.533 ( -0.120 -0.269 -6.467) 6.474 16.554 ( 0.023 0.055 -6.635) 6.635 16.938 ( -1.663 -2.883 5.490) 6.420 17.107 ( -2.343 -4.058 -3.115) 5.627 17.446 ( -0.035 -0.272 6.308) 6.313 17.540 ( 0.719 1.779 1.054) 2.190 17.626 ( -0.595 -1.164 -3.570) 3.802 17.719 ( 1.386 1.477 -6.107) 6.434 17.764 ( 0.550 1.868 0.541) 2.021 17.794 ( 0.702 1.024 -1.190) 1.720 27.572 ( -0.448 -0.765 0.373) 0.962 27.577 ( -0.535 -0.936 0.183) 1.093 27.709 ( -0.025 -0.013 1.661) 1.661 27.745 ( 0.666 1.062 0.631) 1.403 27.758 ( 0.196 0.410 -0.748) 0.875 27.765 ( 0.351 0.598 -0.312) 0.761 29.232 ( -0.892 -1.385 1.510) 2.234 29.329 ( 1.791 2.675 1.653) 3.619 29.383 ( -1.033 -1.599 -6.468) 6.742 29.470 ( 0.563 1.079 -5.645) 5.774 29.611 ( -0.549 -1.250 -1.276) 1.869 29.619 ( -0.130 0.054 -2.158) 2.162 30.309 ( 1.720 1.657 6.289) 6.728 30.340 ( 0.180 2.040 5.462) 5.833 30.400 ( 3.161 5.756 4.872) 8.177 30.438 ( 3.402 5.153 2.588) 6.695 30.942 ( -3.301 -5.778 11.575) 13.351 31.145 ( -5.551 -9.736 3.474) 11.733 31.253 ( -1.923 -2.586 1.469) 3.542 31.453 ( 3.318 4.637 5.652) 8.028 31.553 ( 0.350 1.365 -10.494) 10.588 31.623 ( 0.453 0.629 -4.367) 4.435 32.509 ( 2.285 3.940 2.420) 5.158 32.865 ( -2.362 -4.080 -13.961) 14.735 ======================= Grid point 138 (30/40) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -1.480 6.779 12.237) 14.067 2.122 ( -2.734 5.429 9.871) 11.592 2.447 ( -1.799 1.972 2.525) 3.674 2.490 ( -3.860 -2.229 1.417) 4.677 2.673 ( 10.912 -5.300 11.959) 17.034 2.770 ( 2.023 3.647 9.722) 10.579 2.914 ( 7.454 5.852 5.229) 10.823 2.989 ( 3.463 -5.853 -1.310) 6.926 3.143 ( -2.952 2.663 7.608) 8.584 3.291 ( -2.452 4.830 -2.391) 5.921 3.358 ( -6.664 -15.313 2.203) 16.845 3.438 ( 8.708 -3.493 8.160) 12.435 3.593 ( -0.640 -9.387 4.691) 10.513 3.628 ( -4.422 10.424 3.355) 11.810 3.704 ( 0.361 3.173 -0.528) 3.237 3.797 ( -4.698 -4.324 -4.522) 7.824 3.884 ( 3.373 5.344 15.149) 16.414 4.118 ( 2.617 -1.102 13.735) 14.026 4.135 ( 0.123 -0.789 -0.203) 0.824 4.290 ( 0.240 -3.823 -1.903) 4.278 4.423 ( -5.288 6.358 4.648) 9.486 4.494 ( 1.644 3.450 -10.177) 10.871 4.563 ( 0.132 7.705 -5.819) 9.656 4.782 ( 2.211 -2.380 14.430) 14.791 4.853 ( 0.835 4.084 4.270) 5.967 4.923 ( 2.993 1.517 1.687) 3.756 5.061 ( -2.288 3.472 2.635) 4.923 5.111 ( -3.729 6.164 3.103) 7.844 5.199 ( -3.518 -0.421 -5.496) 6.539 5.287 ( 0.495 1.432 -0.315) 1.548 5.315 ( 3.084 0.645 -3.212) 4.499 5.431 ( 7.619 3.542 11.138) 13.951 5.518 ( 2.358 -6.693 -8.819) 11.320 5.547 ( 2.430 -1.000 -1.820) 3.197 5.571 ( -0.084 -8.235 -0.550) 8.254 5.675 ( -7.478 1.009 2.485) 7.944 5.841 ( -0.012 -2.640 -2.248) 3.467 5.913 ( -5.627 -0.106 2.900) 6.331 5.988 ( 0.799 -3.338 -0.617) 3.488 6.039 ( 1.282 -0.412 6.932) 7.062 6.086 ( 3.267 -4.155 10.238) 11.522 6.143 ( -2.513 -5.998 5.079) 8.252 6.290 ( -1.111 3.419 -0.460) 3.624 6.381 ( -2.524 -0.288 9.943) 10.262 6.497 ( 4.780 0.444 4.933) 6.884 6.507 ( 5.467 -3.033 -1.222) 6.370 6.561 ( -8.298 0.672 3.033) 8.860 6.672 ( 2.281 3.818 -3.990) 5.975 6.757 ( 1.723 2.412 6.061) 6.747 6.875 ( -7.605 3.051 -3.832) 9.046 6.994 ( 1.827 -1.996 -2.375) 3.600 7.062 ( 1.073 -0.755 -5.646) 5.796 7.284 ( -2.544 -0.351 0.530) 2.622 7.300 ( 2.422 -1.137 1.711) 3.176 7.477 ( 4.732 4.272 1.835) 6.634 7.515 ( 3.024 6.377 4.161) 8.193 7.633 ( -3.909 4.032 -3.239) 6.483 7.726 ( -0.338 2.214 -3.355) 4.034 7.771 ( -0.817 -6.395 -0.525) 6.469 7.931 ( 1.743 -4.186 -0.133) 4.536 8.021 ( 0.515 -1.123 -8.224) 8.316 8.194 ( 0.764 2.902 -2.943) 4.203 8.335 ( 2.763 -1.289 1.434) 3.370 8.347 ( 0.174 -3.102 1.028) 3.273 8.465 ( 1.319 4.616 2.570) 5.445 8.504 ( 2.459 3.134 1.432) 4.233 8.569 ( -2.381 -0.612 2.200) 3.299 8.722 ( -5.004 3.929 -6.610) 9.175 8.899 ( 3.782 1.332 -14.983) 15.511 9.000 ( 8.125 5.424 -14.425) 17.422 9.145 ( -8.276 -8.438 -9.255) 15.012 9.289 ( -6.472 -9.466 -13.531) 17.736 12.154 ( 0.003 -2.384 5.165) 5.688 12.317 ( -3.391 2.607 -0.140) 4.279 12.431 ( 4.264 -0.201 4.281) 6.045 12.518 ( -0.402 -2.310 8.929) 9.232 12.637 ( 0.133 2.834 -4.025) 4.925 12.768 ( 0.145 -3.848 -1.566) 4.157 12.886 ( -0.315 3.300 4.818) 5.848 12.961 ( 1.974 1.580 5.181) 5.765 13.066 ( -2.886 -3.684 -4.666) 6.609 13.169 ( -0.585 0.195 -5.253) 5.289 13.649 ( 2.167 2.694 -1.443) 3.747 13.724 ( -0.837 -0.959 -4.631) 4.803 15.840 ( 0.854 0.254 4.681) 4.765 15.857 ( -1.510 -1.025 4.750) 5.088 15.916 ( 0.121 1.030 5.226) 5.328 16.015 ( 0.122 -0.092 -1.215) 1.225 16.054 ( -0.911 -2.882 0.829) 3.134 16.194 ( -0.350 0.343 -3.127) 3.165 16.335 ( -0.400 0.365 3.339) 3.383 16.421 ( 1.616 1.932 2.445) 3.510 16.519 ( -0.618 -1.624 -2.053) 2.689 16.546 ( -0.276 -0.326 -7.391) 7.404 16.921 ( 0.485 0.796 1.303) 1.602 17.026 ( -1.929 -3.420 -3.167) 5.045 17.446 ( -0.174 0.367 7.055) 7.066 17.556 ( -0.259 1.118 -0.159) 1.159 17.619 ( 1.195 -1.996 -2.639) 3.518 17.746 ( -0.644 2.108 -6.696) 7.049 17.788 ( 0.999 0.407 -0.050) 1.080 17.805 ( -0.020 -0.076 -1.067) 1.070 27.561 ( -0.169 -0.329 0.335) 0.499 27.563 ( -0.270 -0.426 0.262) 0.568 27.709 ( 0.082 -0.155 1.992) 1.999 27.762 ( 0.039 0.671 0.205) 0.703 27.764 ( 0.313 0.120 -0.565) 0.657 27.774 ( 0.098 0.223 -0.120) 0.272 29.210 ( 0.093 -1.362 1.252) 1.852 29.349 ( -1.319 0.810 -4.560) 4.815 29.394 ( 1.834 1.349 -1.177) 2.563 29.473 ( -0.559 -0.332 -3.026) 3.095 29.596 ( -0.450 0.084 -2.194) 2.241 29.618 ( 0.085 -0.274 -2.975) 2.989 30.353 ( -0.005 0.229 7.858) 7.861 30.359 ( 1.843 1.008 6.784) 7.102 30.506 ( 1.783 5.197 4.440) 7.064 30.545 ( 2.400 3.476 1.831) 4.604 30.833 ( -2.269 -4.276 12.369) 13.283 30.976 ( -3.324 -5.772 6.808) 9.524 31.204 ( -0.661 -1.963 -0.748) 2.202 31.530 ( -0.481 3.256 -3.976) 5.161 31.574 ( 2.329 0.045 -7.395) 7.753 31.628 ( -0.479 0.073 1.419) 1.499 32.592 ( 2.026 3.898 -3.032) 5.338 32.775 ( -2.169 -4.268 -11.269) 12.244 ======================= Grid point 139 (31/40) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -4.430 4.501 12.945) 14.403 2.226 ( -1.227 12.930 9.573) 16.135 2.320 ( -2.582 -11.362 4.133) 12.363 2.453 ( 0.089 6.074 4.003) 7.275 2.709 ( -1.986 -0.236 11.483) 11.656 2.787 ( -4.937 -10.069 2.886) 11.580 2.940 ( -1.089 -0.872 3.568) 3.831 3.010 ( -4.154 -10.373 0.132) 11.174 3.138 ( 6.051 2.273 5.720) 8.631 3.219 ( 4.408 5.367 4.831) 8.460 3.380 ( 1.564 -2.679 3.601) 4.753 3.483 ( 2.140 -2.646 8.186) 8.865 3.589 ( 9.009 -2.122 5.897) 10.974 3.669 ( -2.514 7.957 -2.377) 8.676 3.698 ( 0.955 -2.921 4.758) 5.664 3.796 ( 0.796 2.036 -4.669) 5.156 3.919 ( -5.666 -7.644 -1.253) 9.597 3.995 ( -3.286 5.766 18.385) 19.546 4.131 ( -2.675 0.777 6.266) 6.857 4.281 ( 3.511 -0.925 -2.168) 4.229 4.413 ( 0.767 4.882 1.239) 5.095 4.547 ( -4.792 4.948 -9.513) 11.745 4.577 ( -6.940 -1.412 -1.630) 7.267 4.779 ( -4.514 -1.613 8.286) 9.572 4.858 ( 3.110 0.830 10.257) 10.750 4.902 ( -2.156 -2.479 0.093) 3.286 5.085 ( -0.565 3.456 -1.633) 3.865 5.163 ( 0.241 8.186 3.745) 9.005 5.172 ( -4.123 2.114 5.829) 7.446 5.263 ( -1.309 -0.960 -2.364) 2.868 5.339 ( -5.537 -4.535 5.798) 9.211 5.442 ( -4.100 -4.419 -3.593) 7.018 5.463 ( 7.869 2.586 -2.487) 8.648 5.516 ( 1.385 -6.106 -3.258) 7.058 5.574 ( 1.677 -3.444 -6.641) 7.666 5.760 ( 4.016 0.909 4.871) 6.378 5.816 ( 3.777 4.135 -1.230) 5.734 5.846 ( -0.580 1.698 1.507) 2.343 5.995 ( 1.653 -0.853 5.258) 5.577 6.081 ( 4.802 -3.498 0.345) 5.951 6.106 ( 2.823 -3.309 9.507) 10.455 6.155 ( 5.978 -3.300 7.235) 9.948 6.319 ( 0.025 2.801 -0.891) 2.940 6.355 ( -0.114 2.605 12.016) 12.296 6.414 ( -7.801 2.904 2.317) 8.640 6.479 ( 0.335 -5.189 -1.295) 5.358 6.612 ( 1.065 2.154 4.309) 4.934 6.702 ( -2.155 -0.895 -1.660) 2.864 6.748 ( -1.572 -0.192 -3.128) 3.506 6.866 ( 1.447 6.316 3.024) 7.150 7.019 ( -1.264 1.390 -3.318) 3.813 7.062 ( 2.815 -4.292 -3.605) 6.272 7.246 ( -1.469 1.447 0.770) 2.201 7.326 ( 2.247 -1.686 0.351) 2.831 7.485 ( -6.228 -2.287 -0.677) 6.669 7.508 ( -7.238 1.290 3.621) 8.196 7.630 ( -2.996 4.643 0.813) 5.585 7.726 ( 5.551 0.233 -2.984) 6.307 7.786 ( -0.570 0.093 -0.623) 0.850 7.918 ( 3.415 -4.689 -1.737) 6.055 8.025 ( 1.156 -1.108 -8.524) 8.673 8.188 ( -3.550 1.142 -2.779) 4.650 8.321 ( -0.011 -1.816 1.762) 2.530 8.363 ( 2.488 -3.151 -0.332) 4.029 8.468 ( -3.253 1.176 2.461) 4.245 8.509 ( -4.898 -0.678 3.830) 6.254 8.580 ( 2.920 0.390 1.661) 3.382 8.688 ( -3.342 7.673 -6.864) 10.824 8.928 ( -1.751 -2.762 -15.577) 15.916 8.961 ( -6.521 -2.164 -13.062) 14.759 9.205 ( 6.169 -1.126 -10.205) 11.978 9.253 ( 14.035 3.203 -13.594) 19.800 12.155 ( 2.167 -1.255 5.172) 5.746 12.311 ( -1.078 4.111 0.340) 4.263 12.440 ( -1.316 -3.890 3.287) 5.260 12.515 ( 1.973 -0.538 9.369) 9.590 12.632 ( -2.643 1.352 -3.882) 4.887 12.770 ( 3.299 -1.955 -1.195) 4.017 12.911 ( -0.709 2.713 5.535) 6.205 12.929 ( -4.025 -1.506 2.955) 5.215 13.076 ( 4.637 0.216 -3.443) 5.779 13.166 ( -0.131 0.720 -5.413) 5.462 13.650 ( -3.412 -0.534 -1.459) 3.749 13.724 ( 1.252 0.246 -4.617) 4.790 15.833 ( -0.439 -0.103 4.820) 4.841 15.871 ( 2.331 0.003 4.407) 4.985 15.909 ( -1.844 0.699 5.397) 5.746 16.015 ( 0.017 -0.149 -1.151) 1.161 16.054 ( 2.886 -0.635 0.806) 3.063 16.195 ( -0.035 0.443 -3.215) 3.246 16.332 ( -0.319 0.566 3.609) 3.667 16.425 ( -2.301 -0.495 2.216) 3.232 16.517 ( 1.713 -0.240 -2.134) 2.747 16.546 ( 0.429 0.069 -7.269) 7.282 16.921 ( -0.934 -0.021 1.300) 1.601 17.026 ( 3.926 -0.039 -3.167) 5.044 17.445 ( -0.313 0.359 6.991) 7.007 17.560 ( -0.631 0.812 0.020) 1.028 17.617 ( 1.087 -2.133 -2.892) 3.754 17.741 ( -1.809 1.604 -5.703) 6.194 17.793 ( -0.664 -0.734 -1.049) 1.442 17.803 ( 0.105 0.111 -0.923) 0.935 27.561 ( 0.370 -0.029 0.321) 0.491 27.563 ( 0.504 0.030 0.277) 0.576 27.709 ( 0.106 -0.154 1.989) 1.998 27.760 ( -0.595 0.199 0.041) 0.629 27.766 ( -0.276 -0.110 -0.397) 0.495 27.774 ( -0.246 0.034 -0.123) 0.277 29.211 ( 1.197 -0.792 1.229) 1.890 29.347 ( -0.274 1.580 -4.329) 4.616 29.394 ( -1.944 -0.874 -1.335) 2.515 29.475 ( 0.620 0.261 -3.145) 3.216 29.594 ( 0.066 0.442 -2.071) 2.119 29.619 ( 0.259 -0.208 -3.031) 3.049 30.339 ( -1.466 -0.097 8.143) 8.274 30.375 ( -0.378 -0.949 6.248) 6.331 30.514 ( -5.527 1.348 4.418) 7.203 30.534 ( -4.233 -0.525 2.338) 4.864 30.833 ( 4.783 -0.174 12.125) 13.035 30.977 ( 6.693 -0.034 6.768) 9.519 31.205 ( 2.201 -0.463 -0.771) 2.378 31.527 ( -3.074 2.003 -3.124) 4.819 31.574 ( -0.777 -1.811 -8.191) 8.424 31.630 ( 0.107 0.356 1.430) 1.478 32.592 ( -4.396 0.201 -3.020) 5.337 32.776 ( 4.783 -0.261 -11.273) 12.249 ======================= Grid point 144 (32/40) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.000 -0.000 7.990) 7.990 2.266 ( -2.523 -5.046 12.826) 14.012 2.266 ( 2.523 5.046 12.826) 14.012 2.421 ( -0.000 -0.000 -3.226) 3.226 2.824 ( -4.008 -8.015 0.108) 8.962 2.824 ( 4.008 8.015 0.108) 8.962 2.880 ( -0.000 -0.000 13.538) 13.538 3.049 ( -1.904 -3.808 3.228) 5.343 3.049 ( 1.904 3.808 3.228) 5.343 3.229 ( -0.000 -0.000 5.263) 5.263 3.335 ( -2.048 -4.095 2.533) 5.232 3.335 ( 2.048 4.095 2.533) 5.232 3.458 ( -0.000 -0.000 3.999) 3.999 3.725 ( -0.000 -0.000 5.607) 5.607 3.768 ( -1.229 -2.458 -4.405) 5.192 3.768 ( 1.229 2.458 -4.405) 5.192 3.973 ( -0.000 -0.000 10.415) 10.415 4.110 ( -0.000 0.000 24.862) 24.862 4.150 ( -2.665 -5.329 2.242) 6.366 4.150 ( 2.665 5.329 2.242) 6.366 4.529 ( -2.942 -5.884 5.271) 8.430 4.529 ( 2.942 5.884 5.271) 8.430 4.691 ( -0.000 -0.000 -19.045) 19.045 4.819 ( -2.621 -5.241 1.646) 6.086 4.819 ( 2.620 5.241 1.646) 6.086 4.935 ( 0.000 -0.000 -0.925) 0.925 5.169 ( 0.000 0.000 -7.387) 7.387 5.180 ( -0.999 -1.998 0.306) 2.255 5.180 ( 0.999 1.998 0.306) 2.255 5.326 ( -1.336 -2.672 5.711) 6.445 5.326 ( 1.336 2.672 5.711) 6.445 5.392 ( 0.000 0.000 -20.001) 20.001 5.403 ( -1.452 -2.905 7.700) 8.357 5.403 ( 1.452 2.905 7.700) 8.357 5.712 ( -3.466 -6.933 -3.622) 8.555 5.712 ( 3.466 6.933 -3.622) 8.555 5.769 ( -0.000 0.000 6.798) 6.798 5.919 ( -2.066 -4.133 3.633) 5.878 5.919 ( 2.066 4.133 3.633) 5.878 6.010 ( -0.000 0.000 -6.204) 6.204 6.057 ( -0.650 -1.300 14.300) 14.374 6.057 ( 0.650 1.300 14.300) 14.374 6.363 ( -0.000 0.000 14.110) 14.110 6.376 ( -2.070 -4.140 -0.596) 4.667 6.376 ( 2.070 4.140 -0.596) 4.666 6.578 ( -1.702 -3.403 0.909) 3.912 6.578 ( 1.702 3.403 0.909) 3.912 6.691 ( -0.000 -0.000 4.526) 4.526 6.764 ( 0.000 -0.000 6.064) 6.064 6.945 ( -2.311 -4.621 -5.201) 7.331 6.945 ( 2.311 4.621 -5.201) 7.331 7.064 ( -0.000 -0.000 -0.718) 0.718 7.279 ( -0.589 -1.178 -0.888) 1.588 7.279 ( 0.589 1.178 -0.888) 1.588 7.599 ( -2.800 -5.599 -1.184) 6.371 7.599 ( 2.799 5.600 -1.184) 6.371 7.599 ( 0.000 -0.000 10.251) 10.251 7.740 ( -0.000 0.000 -3.662) 3.662 7.794 ( -2.315 -4.631 -4.104) 6.607 7.794 ( 2.315 4.631 -4.104) 6.607 8.024 ( -0.000 -0.000 -7.809) 7.809 8.229 ( 0.000 -0.000 -4.023) 4.023 8.303 ( -0.157 -0.315 1.340) 1.386 8.303 ( 0.157 0.315 1.340) 1.386 8.541 ( -1.194 -2.388 3.344) 4.279 8.541 ( 1.194 2.388 3.344) 4.279 8.548 ( -0.000 0.000 5.337) 5.337 8.838 ( -3.239 -6.478 -10.140) 12.461 8.838 ( 3.239 6.478 -10.140) 12.461 9.100 ( -0.000 0.000 -18.086) 18.086 9.102 ( -2.088 -4.177 -13.316) 14.111 9.102 ( 2.088 4.177 -13.316) 14.111 12.129 ( -0.000 -0.000 5.418) 5.418 12.346 ( 0.000 -0.000 -5.307) 5.307 12.458 ( -1.273 -2.545 9.143) 9.575 12.458 ( 1.273 2.545 9.143) 9.575 12.696 ( -1.488 -2.975 -2.466) 4.141 12.696 ( 1.488 2.975 -2.466) 4.141 12.963 ( -0.000 -0.000 6.250) 6.250 12.982 ( -1.797 -3.593 -0.477) 4.045 12.982 ( 1.797 3.593 -0.477) 4.045 13.176 ( -0.000 -0.000 -5.182) 5.182 13.696 ( -0.843 -1.686 -3.306) 3.806 13.696 ( 0.843 1.686 -3.306) 3.806 15.844 ( -0.277 -0.554 4.862) 4.901 15.844 ( 0.277 0.554 4.862) 4.901 15.937 ( -0.000 -0.000 7.235) 7.235 16.014 ( -0.028 -0.056 -1.047) 1.049 16.014 ( 0.028 0.056 -1.047) 1.049 16.198 ( -0.000 -0.000 -3.309) 3.309 16.340 ( -0.000 -0.000 3.416) 3.416 16.470 ( -1.237 -2.474 1.015) 2.947 16.470 ( 1.237 2.474 1.015) 2.947 16.544 ( -0.000 -0.000 -7.616) 7.616 16.960 ( -1.311 -2.622 -1.817) 3.449 16.960 ( 1.311 2.622 -1.817) 3.449 17.452 ( -0.000 -0.000 7.569) 7.569 17.582 ( -0.658 -1.317 -1.354) 2.000 17.582 ( 0.658 1.317 -1.354) 2.000 17.770 ( -0.000 -0.000 -8.701) 8.701 17.797 ( -0.212 -0.425 0.087) 0.483 17.797 ( 0.212 0.425 0.087) 0.483 27.558 ( -0.023 -0.046 0.300) 0.304 27.558 ( 0.023 0.046 0.300) 0.304 27.707 ( -0.000 -0.000 2.133) 2.133 27.765 ( -0.000 -0.000 -0.796) 0.796 27.773 ( -0.136 -0.273 0.137) 0.334 27.773 ( 0.136 0.273 0.137) 0.334 29.195 ( -0.000 -0.000 1.262) 1.262 29.349 ( -0.000 -0.000 -7.039) 7.039 29.443 ( -1.130 -2.260 -0.284) 2.542 29.443 ( 1.130 2.260 -0.284) 2.542 29.607 ( -0.359 -0.718 -3.285) 3.382 29.607 ( 0.359 0.718 -3.285) 3.382 30.363 ( -0.348 -0.697 7.893) 7.931 30.363 ( 0.348 0.697 7.893) 7.931 30.580 ( -0.229 -0.459 1.907) 1.975 30.580 ( 0.229 0.459 1.907) 1.975 30.777 ( -0.000 0.000 14.284) 14.284 30.909 ( -0.000 -0.000 8.716) 8.716 31.180 ( -0.000 -0.000 -2.713) 2.713 31.555 ( -0.000 -0.000 -17.044) 17.044 31.608 ( -1.034 -2.069 3.780) 4.431 31.608 ( 1.034 2.069 3.780) 4.431 32.681 ( -2.196 -4.391 -7.551) 9.007 32.681 ( 2.196 4.391 -7.551) 9.007 ======================= Grid point 172 (33/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 0.000 -9.574) 9.574 2.137 ( 0.000 0.000 -9.574) 9.574 2.137 ( 0.000 -0.000 9.574) 9.574 2.137 ( -0.000 0.000 9.574) 9.574 3.032 ( 0.000 0.000 -27.009) 27.009 3.032 ( 0.000 0.000 -27.009) 27.009 3.032 ( 0.000 0.000 27.009) 27.009 3.032 ( 0.000 -0.000 27.009) 27.009 3.143 ( -0.000 0.000 -6.484) 6.484 3.143 ( -0.000 0.000 6.484) 6.484 3.456 ( 0.000 -0.000 -1.275) 1.275 3.456 ( 0.000 -0.000 -1.275) 1.275 3.456 ( 0.000 -0.000 1.275) 1.275 3.456 ( -0.000 0.000 1.275) 1.275 3.855 ( 0.000 0.000 -7.042) 7.042 3.855 ( 0.000 0.000 7.042) 7.042 4.015 ( 0.000 0.000 -7.281) 7.281 4.015 ( 0.000 0.000 -7.281) 7.281 4.015 ( -0.000 0.000 7.281) 7.281 4.015 ( 0.000 0.000 7.281) 7.281 4.541 ( 0.000 0.000 -19.098) 19.098 4.541 ( 0.000 0.000 19.098) 19.098 4.797 ( 0.000 0.000 -3.383) 3.383 4.797 ( -0.000 0.000 -3.383) 3.383 4.797 ( -0.000 0.000 3.383) 3.383 4.797 ( -0.000 0.000 3.383) 3.383 4.918 ( 0.000 0.000 -29.467) 29.467 4.918 ( 0.000 -0.000 29.467) 29.467 5.372 ( 0.000 0.000 -1.093) 1.093 5.372 ( 0.000 0.000 -1.093) 1.093 5.372 ( 0.000 0.000 1.093) 1.093 5.372 ( 0.000 0.000 1.093) 1.093 5.449 ( 0.000 0.000 -31.635) 31.635 5.449 ( 0.000 0.000 31.635) 31.635 5.930 ( -0.000 0.000 -0.801) 0.801 5.930 ( 0.000 0.000 0.801) 0.801 6.039 ( -0.000 0.000 -6.624) 6.624 6.039 ( 0.000 0.000 -6.624) 6.624 6.039 ( -0.000 0.000 6.624) 6.624 6.039 ( 0.000 0.000 6.624) 6.624 6.211 ( 0.000 0.000 -14.850) 14.850 6.211 ( -0.000 0.000 14.850) 14.850 6.276 ( 0.000 0.000 -1.410) 1.410 6.276 ( 0.000 0.000 -1.410) 1.410 6.276 ( 0.000 0.000 1.410) 1.410 6.276 ( -0.000 -0.000 1.410) 1.410 6.751 ( -0.000 0.000 -10.183) 10.183 6.751 ( -0.000 0.000 -10.183) 10.183 6.751 ( 0.000 0.000 10.183) 10.183 6.751 ( 0.000 0.000 10.183) 10.183 6.908 ( 0.000 0.000 -11.951) 11.951 6.908 ( -0.000 0.000 11.951) 11.951 7.157 ( 0.000 0.000 -7.074) 7.074 7.157 ( 0.000 0.000 7.074) 7.074 7.468 ( 0.000 0.000 -0.312) 0.312 7.468 ( 0.000 -0.000 -0.312) 0.312 7.468 ( 0.000 0.000 0.312) 0.312 7.468 ( 0.000 0.000 0.312) 0.312 8.022 ( -0.000 0.000 -3.031) 3.031 8.022 ( 0.000 -0.000 3.031) 3.031 8.119 ( -0.000 0.000 -0.930) 0.930 8.119 ( 0.000 0.000 -0.930) 0.930 8.119 ( -0.000 0.000 0.930) 0.930 8.119 ( 0.000 0.000 0.930) 0.930 8.510 ( 0.000 -0.000 -8.296) 8.296 8.510 ( 0.000 0.000 8.296) 8.296 8.634 ( -0.000 -0.000 -2.724) 2.724 8.634 ( 0.000 0.000 -2.724) 2.724 8.634 ( -0.000 0.000 2.724) 2.724 8.634 ( 0.000 0.000 2.724) 2.724 9.701 ( 0.000 0.000 -7.757) 7.757 9.701 ( 0.000 0.000 7.757) 7.757 12.349 ( 0.000 0.000 -4.142) 4.142 12.349 ( 0.000 0.000 -4.142) 4.142 12.349 ( 0.000 0.000 4.142) 4.142 12.349 ( -0.000 0.000 4.142) 4.142 12.840 ( 0.000 0.000 -13.638) 13.638 12.840 ( 0.000 0.000 13.638) 13.638 13.002 ( -0.000 0.000 -6.754) 6.754 13.002 ( -0.000 0.000 -6.754) 6.754 13.002 ( 0.000 0.000 6.754) 6.754 13.002 ( 0.000 0.000 6.754) 6.754 13.594 ( -0.000 0.000 -6.178) 6.178 13.594 ( -0.000 0.000 6.178) 6.178 15.938 ( 0.000 0.000 -5.250) 5.250 15.938 ( 0.000 0.000 -5.250) 5.250 15.938 ( -0.000 0.000 5.250) 5.250 15.938 ( -0.000 -0.000 5.250) 5.250 16.218 ( 0.000 -0.000 -1.761) 1.761 16.218 ( 0.000 0.000 1.761) 1.761 16.414 ( -0.000 0.000 -5.190) 5.190 16.414 ( 0.000 0.000 -5.190) 5.190 16.414 ( 0.000 -0.000 5.190) 5.190 16.414 ( -0.000 0.000 5.190) 5.190 17.160 ( 0.000 0.000 -2.941) 2.941 17.160 ( 0.000 0.000 2.941) 2.941 17.573 ( -0.000 0.000 -5.840) 5.840 17.573 ( -0.000 0.000 -5.840) 5.840 17.573 ( -0.000 0.000 5.840) 5.840 17.573 ( -0.000 0.000 5.840) 5.840 17.719 ( -0.000 0.000 -1.151) 1.151 17.719 ( 0.000 -0.000 1.151) 1.151 27.604 ( 0.000 0.000 -0.374) 0.374 27.604 ( -0.000 0.000 0.374) 0.374 27.730 ( 0.000 0.000 -1.052) 1.052 27.730 ( 0.000 0.000 -1.052) 1.052 27.730 ( -0.000 0.000 1.052) 1.052 27.730 ( 0.000 0.000 1.052) 1.052 29.327 ( -0.000 0.000 -4.319) 4.319 29.327 ( -0.000 0.000 -4.319) 4.319 29.327 ( 0.000 0.000 4.319) 4.319 29.327 ( 0.000 0.000 4.319) 4.319 29.619 ( 0.000 0.000 -0.989) 0.989 29.619 ( -0.000 0.000 0.989) 0.989 30.316 ( 0.000 0.000 -1.171) 1.171 30.316 ( 0.000 0.000 -1.171) 1.171 30.316 ( -0.000 0.000 1.171) 1.171 30.316 ( 0.000 0.000 1.171) 1.171 31.333 ( 0.000 -0.000 -11.492) 11.492 31.333 ( 0.000 0.000 11.492) 11.492 31.411 ( -0.000 0.000 -5.071) 5.071 31.411 ( -0.000 0.000 -5.071) 5.071 31.411 ( -0.000 0.000 5.071) 5.071 31.411 ( 0.000 0.000 5.071) 5.071 32.656 ( 0.000 -0.000 -14.738) 14.738 32.656 ( 0.000 0.000 14.738) 14.738 ======================= Grid point 174 (34/40) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 3.756 1.517 -6.294) 7.485 2.195 ( 3.756 1.517 6.294) 7.485 2.252 ( 7.693 5.108 -7.698) 12.022 2.252 ( 7.693 5.108 7.698) 12.022 2.811 ( -7.692 -4.449 -9.602) 13.082 2.811 ( -7.692 -4.449 9.602) 13.082 3.029 ( -1.584 -0.712 -18.875) 18.954 3.029 ( -1.584 -0.712 18.875) 18.954 3.272 ( -3.512 0.777 -6.944) 7.820 3.272 ( -3.512 0.777 6.944) 7.820 3.413 ( 8.506 -1.674 -4.247) 9.654 3.413 ( 8.506 -1.674 4.247) 9.654 3.518 ( 3.328 4.112 -0.784) 5.348 3.518 ( 3.328 4.112 0.784) 5.348 3.893 ( -6.353 3.194 -2.249) 7.458 3.893 ( -6.353 3.194 2.249) 7.458 4.000 ( 5.227 -3.539 -2.272) 6.709 4.000 ( 5.227 -3.539 2.272) 6.709 4.093 ( 4.965 3.622 -5.574) 8.296 4.093 ( 4.965 3.622 5.574) 8.296 4.409 ( -6.619 -3.333 -18.619) 20.039 4.409 ( -6.619 -3.333 18.619) 20.039 4.784 ( -2.422 -0.832 -4.077) 4.815 4.784 ( -2.422 -0.832 4.077) 4.815 4.893 ( 6.200 1.840 -3.827) 7.515 4.893 ( 6.200 1.840 3.827) 7.515 5.007 ( 6.155 4.786 -14.074) 16.089 5.007 ( 6.155 4.786 14.074) 16.089 5.278 ( -5.764 -4.077 -1.243) 7.169 5.278 ( -5.764 -4.077 1.243) 7.169 5.376 ( 0.221 0.664 -1.425) 1.588 5.376 ( 0.221 0.664 1.425) 1.588 5.515 ( 3.727 2.186 -27.789) 28.123 5.515 ( 3.727 2.186 27.789) 28.123 5.810 ( -10.787 -8.191 -5.994) 14.811 5.810 ( -10.787 -8.191 5.994) 14.811 5.879 ( -3.868 0.083 -1.344) 4.095 5.879 ( -3.868 0.083 1.344) 4.095 6.097 ( 1.020 2.720 -4.372) 5.249 6.097 ( 1.020 2.720 4.372) 5.249 6.160 ( 0.380 -3.651 -2.625) 4.513 6.160 ( 0.380 -3.651 2.625) 4.513 6.327 ( 3.263 3.392 -3.365) 5.786 6.327 ( 3.263 3.392 3.365) 5.786 6.465 ( 5.556 3.162 -3.116) 7.111 6.465 ( 5.556 3.162 3.116) 7.111 6.632 ( -3.677 -1.463 -4.369) 5.895 6.632 ( -3.677 -1.463 4.369) 5.895 6.756 ( 1.021 -0.357 -9.198) 9.262 6.756 ( 1.021 -0.357 9.198) 9.262 7.020 ( 4.084 2.463 -4.009) 6.230 7.020 ( 4.084 2.463 4.009) 6.230 7.185 ( 3.137 1.799 -1.013) 3.756 7.185 ( 3.137 1.799 1.013) 3.756 7.439 ( -2.285 -0.949 -1.238) 2.767 7.439 ( -2.285 -0.949 1.238) 2.767 7.553 ( 6.287 3.230 -1.723) 7.275 7.553 ( 6.287 3.230 1.723) 7.275 7.971 ( -3.044 -1.942 -0.544) 3.652 7.971 ( -3.044 -1.942 0.544) 3.652 8.070 ( -3.560 -1.436 -1.153) 4.008 8.070 ( -3.560 -1.436 1.153) 4.008 8.188 ( 4.961 2.558 -1.718) 5.840 8.188 ( 4.961 2.558 1.718) 5.840 8.511 ( -0.065 -0.302 -7.171) 7.178 8.511 ( -0.065 -0.302 7.171) 7.178 8.627 ( -0.927 0.092 -2.175) 2.366 8.627 ( -0.927 0.092 2.175) 2.366 8.667 ( 2.939 1.299 -2.151) 3.867 8.667 ( 2.939 1.299 2.151) 3.867 9.573 ( -10.379 -5.992 -6.566) 13.665 9.573 ( -10.379 -5.992 6.566) 13.665 12.328 ( -1.721 -1.008 -3.668) 4.175 12.328 ( -1.721 -1.008 3.668) 4.175 12.391 ( 3.313 1.935 -4.033) 5.566 12.391 ( 3.313 1.935 4.033) 5.566 12.791 ( -3.020 -1.777 -10.175) 10.761 12.791 ( -3.020 -1.777 10.175) 10.761 12.996 ( -0.610 -0.267 -6.784) 6.817 12.996 ( -0.610 -0.267 6.784) 6.817 13.034 ( 1.696 0.919 -8.337) 8.557 13.034 ( 1.696 0.919 8.337) 8.557 13.609 ( 1.224 0.706 -5.894) 6.061 13.609 ( 1.224 0.706 5.894) 6.061 15.931 ( -0.519 -0.311 -4.705) 4.743 15.931 ( -0.519 -0.311 4.705) 4.743 15.946 ( 0.695 0.412 -4.762) 4.830 15.946 ( 0.695 0.412 4.762) 4.830 16.191 ( -2.109 -1.216 -1.737) 2.990 16.191 ( -2.109 -1.216 1.737) 2.990 16.413 ( -0.086 -0.041 -5.298) 5.299 16.413 ( -0.086 -0.041 5.298) 5.299 16.427 ( 1.056 0.599 -5.088) 5.231 16.427 ( 1.056 0.599 5.088) 5.231 17.108 ( -3.977 -2.296 -4.061) 6.131 17.108 ( -3.977 -2.296 4.061) 6.131 17.559 ( -0.698 -0.396 -4.703) 4.771 17.559 ( -0.698 -0.396 4.703) 4.771 17.584 ( 0.913 0.520 -4.949) 5.060 17.584 ( 0.913 0.520 4.949) 5.060 17.750 ( 1.941 1.121 -1.006) 2.457 17.750 ( 1.941 1.121 1.006) 2.457 27.592 ( -0.859 -0.496 -0.250) 1.023 27.592 ( -0.859 -0.496 0.250) 1.023 27.733 ( 0.283 0.162 -1.166) 1.211 27.733 ( 0.283 0.162 1.166) 1.211 27.742 ( 0.850 0.492 -0.810) 1.273 27.742 ( 0.850 0.492 0.810) 1.273 29.310 ( -1.277 -0.743 -3.992) 4.257 29.310 ( -1.277 -0.743 3.992) 4.257 29.346 ( 1.510 0.879 -4.083) 4.442 29.346 ( 1.510 0.879 4.083) 4.442 29.612 ( -0.575 -0.334 -0.574) 0.878 29.612 ( -0.575 -0.334 0.574) 0.878 30.341 ( 2.061 1.204 -1.255) 2.697 30.341 ( 2.061 1.204 1.255) 2.697 30.368 ( 4.212 2.417 -1.250) 5.014 30.368 ( 4.212 2.417 1.250) 5.014 31.234 ( -6.167 -3.561 -8.223) 10.878 31.234 ( -6.167 -3.561 8.223) 10.878 31.388 ( -2.066 -1.199 -6.316) 6.753 31.388 ( -2.066 -1.199 6.316) 6.753 31.483 ( 4.142 2.397 -5.570) 7.343 31.483 ( 4.142 2.397 5.570) 7.343 32.647 ( -0.752 -0.434 -13.087) 13.115 32.647 ( -0.752 -0.434 13.087) 13.115 ======================= Grid point 176 (35/40) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -2.328 -3.667 -5.058) 6.667 2.203 ( -2.328 -3.667 5.058) 6.667 2.366 ( 0.523 2.736 -4.733) 5.492 2.366 ( 0.523 2.736 4.733) 5.492 2.830 ( 6.696 4.927 -5.388) 9.906 2.830 ( 6.696 4.927 5.388) 9.906 2.998 ( 1.245 3.610 -6.627) 7.648 2.998 ( 1.245 3.610 6.627) 7.648 3.262 ( 0.604 -3.993 -12.711) 13.337 3.262 ( 0.604 -3.993 12.711) 13.337 3.500 ( 6.757 -7.861 -0.247) 10.369 3.500 ( 6.757 -7.861 0.247) 10.369 3.578 ( -1.003 5.642 -1.286) 5.873 3.578 ( -1.003 5.642 1.286) 5.873 3.812 ( -7.764 5.448 -2.592) 9.832 3.812 ( -7.764 5.448 2.592) 9.832 4.007 ( -1.447 -1.915 -3.909) 4.587 4.007 ( -1.447 -1.915 3.909) 4.587 4.189 ( 5.151 -2.436 -7.485) 9.407 4.189 ( 5.151 -2.436 7.485) 9.407 4.403 ( 3.730 6.686 -14.472) 16.373 4.403 ( 3.730 6.686 14.472) 16.373 4.664 ( -6.544 -5.098 -9.903) 12.918 4.664 ( -6.544 -5.098 9.903) 12.918 5.003 ( 4.499 -0.239 -3.628) 5.785 5.003 ( 4.499 -0.239 3.628) 5.785 5.076 ( -4.489 1.235 -2.705) 5.384 5.076 ( -4.489 1.235 2.705) 5.384 5.216 ( 2.182 -3.245 -3.242) 5.080 5.216 ( 2.182 -3.245 3.242) 5.080 5.371 ( -0.554 0.537 -6.638) 6.682 5.371 ( -0.554 0.537 6.638) 6.682 5.559 ( -1.185 0.820 -4.318) 4.552 5.559 ( -1.185 0.820 4.318) 4.552 5.672 ( 3.686 2.714 -16.366) 16.994 5.672 ( 3.686 2.714 16.366) 16.994 5.851 ( -2.367 -0.947 -2.887) 3.851 5.851 ( -2.367 -0.947 2.887) 3.851 6.107 ( -2.977 1.581 -3.937) 5.183 6.107 ( -2.977 1.581 3.937) 5.183 6.143 ( 3.564 -3.667 -1.198) 5.253 6.143 ( 3.564 -3.667 1.198) 5.253 6.378 ( 0.439 -1.342 -5.280) 5.465 6.378 ( 0.439 -1.342 5.280) 5.465 6.492 ( -0.477 5.783 -3.988) 7.041 6.492 ( -0.477 5.783 3.989) 7.041 6.665 ( 1.184 2.680 -5.168) 5.940 6.665 ( 1.184 2.680 5.168) 5.940 6.765 ( 1.265 -4.466 -5.674) 7.331 6.765 ( 1.265 -4.466 5.674) 7.331 7.015 ( -3.286 -2.239 -3.119) 5.053 7.015 ( -3.286 -2.239 3.119) 5.053 7.296 ( 3.394 2.249 -4.170) 5.828 7.296 ( 3.394 2.249 4.170) 5.828 7.433 ( 2.952 4.039 -0.683) 5.049 7.433 ( 2.952 4.039 0.683) 5.049 7.654 ( 2.798 -1.942 -4.049) 5.291 7.654 ( 2.798 -1.942 4.049) 5.291 7.923 ( -1.671 -0.507 -6.559) 6.788 7.923 ( -1.671 -0.507 6.559) 6.788 8.019 ( -0.820 1.612 -7.609) 7.821 8.019 ( -0.820 1.612 7.609) 7.821 8.313 ( 5.654 3.121 -1.200) 6.569 8.313 ( 5.654 3.121 1.200) 6.569 8.501 ( 0.346 -1.974 -3.162) 3.744 8.501 ( 0.346 -1.974 3.162) 3.744 8.608 ( -1.217 1.109 -5.036) 5.299 8.608 ( -1.217 1.109 5.036) 5.299 8.736 ( 2.347 1.029 -6.010) 6.534 8.736 ( 2.347 1.029 6.010) 6.534 9.285 ( -12.797 -7.382 -4.150) 15.345 9.285 ( -12.797 -7.382 4.150) 15.345 12.281 ( -2.018 -1.190 -2.881) 3.713 12.281 ( -2.018 -1.190 2.881) 3.713 12.476 ( 3.382 2.084 -3.874) 5.549 12.476 ( 3.382 2.084 3.874) 5.549 12.735 ( -1.506 -1.122 -7.626) 7.854 12.735 ( -1.506 -1.122 7.626) 7.854 12.975 ( -1.272 -0.454 -5.238) 5.409 12.975 ( -1.272 -0.454 5.238) 5.409 13.059 ( 0.621 0.229 -5.981) 6.018 13.059 ( 0.621 0.229 5.981) 6.018 13.641 ( 1.330 0.762 -3.994) 4.278 13.641 ( 1.330 0.762 3.994) 4.278 15.918 ( -0.563 -0.361 -2.861) 2.938 15.918 ( -0.563 -0.361 2.861) 2.938 15.968 ( 1.033 0.626 -3.319) 3.532 15.968 ( 1.033 0.626 3.319) 3.532 16.136 ( -2.323 -1.325 -2.714) 3.810 16.136 ( -2.323 -1.325 2.714) 3.810 16.411 ( -0.093 -0.035 -5.528) 5.528 16.411 ( -0.093 -0.035 5.528) 5.528 16.457 ( 1.394 0.772 -4.161) 4.455 16.457 ( 1.394 0.772 4.161) 4.455 17.012 ( -3.675 -2.120 -4.365) 6.087 17.012 ( -3.675 -2.120 4.365) 6.087 17.550 ( -0.145 -0.062 -3.148) 3.152 17.550 ( -0.145 -0.062 3.148) 3.152 17.607 ( 0.914 0.510 -3.344) 3.504 17.607 ( 0.914 0.510 3.344) 3.504 17.785 ( 0.933 0.538 -0.556) 1.212 17.785 ( 0.933 0.538 0.556) 1.212 27.573 ( -0.691 -0.400 -0.118) 0.807 27.573 ( -0.691 -0.400 0.118) 0.807 27.741 ( 0.283 0.160 -1.360) 1.398 27.741 ( 0.283 0.160 1.360) 1.398 27.760 ( 0.641 0.375 -0.477) 0.883 27.760 ( 0.641 0.375 0.477) 0.883 29.280 ( -1.145 -0.676 -3.422) 3.672 29.280 ( -1.145 -0.676 3.422) 3.672 29.385 ( 1.542 0.919 -3.216) 3.683 29.385 ( 1.542 0.919 3.216) 3.683 29.595 ( -0.724 -0.434 -0.407) 0.937 29.595 ( -0.724 -0.434 0.407) 0.937 30.400 ( 2.694 1.608 -1.136) 3.336 30.400 ( 2.694 1.608 1.136) 3.336 30.480 ( 4.750 2.694 -1.268) 5.606 30.480 ( 4.750 2.694 1.268) 5.606 31.092 ( -5.514 -3.185 -5.298) 8.284 31.092 ( -5.514 -3.185 5.298) 8.284 31.324 ( -3.032 -1.766 -8.132) 8.856 31.324 ( -3.032 -1.766 8.132) 8.856 31.575 ( 3.381 1.969 -3.558) 5.288 31.575 ( 3.381 1.969 3.558) 5.288 32.626 ( -0.939 -0.543 -8.858) 8.925 32.626 ( -0.939 -0.543 8.858) 8.925 ======================= Grid point 178 (36/40) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.000 0.000 -6.326) 6.326 2.142 ( 0.000 0.000 6.326) 6.326 2.380 ( 0.000 0.000 -0.577) 0.577 2.380 ( 0.000 0.000 0.577) 0.577 2.912 ( 0.000 0.000 -4.747) 4.747 2.912 ( 0.000 -0.000 4.747) 4.747 3.119 ( -0.000 -0.000 -1.363) 1.363 3.119 ( 0.000 0.000 1.363) 1.363 3.213 ( 0.000 0.000 -5.802) 5.802 3.213 ( 0.000 0.000 5.802) 5.802 3.510 ( 0.000 0.000 -9.911) 9.911 3.510 ( 0.000 -0.000 9.911) 9.911 3.591 ( -0.000 0.000 -6.366) 6.366 3.591 ( 0.000 -0.000 6.366) 6.366 3.749 ( 0.000 0.000 -0.414) 0.414 3.749 ( 0.000 0.000 0.414) 0.414 4.007 ( -0.000 0.000 -2.269) 2.269 4.007 ( -0.000 0.000 2.269) 2.269 4.211 ( 0.000 0.000 -6.160) 6.160 4.211 ( 0.000 0.000 6.160) 6.160 4.469 ( 0.000 0.000 -0.971) 0.971 4.469 ( 0.000 0.000 0.971) 0.971 4.598 ( 0.000 -0.000 -22.664) 22.664 4.598 ( 0.000 0.000 22.664) 22.664 5.024 ( 0.000 0.000 -0.366) 0.366 5.024 ( 0.000 -0.000 0.366) 0.366 5.042 ( 0.000 0.000 -2.592) 2.592 5.042 ( -0.000 0.000 2.592) 2.592 5.159 ( -0.000 0.000 -0.102) 0.102 5.159 ( 0.000 0.000 0.102) 0.102 5.403 ( 0.000 0.000 -1.831) 1.831 5.403 ( 0.000 0.000 1.831) 1.831 5.596 ( 0.000 0.000 -3.451) 3.451 5.596 ( 0.000 0.000 3.451) 3.451 5.732 ( 0.000 0.000 -0.452) 0.452 5.732 ( 0.000 -0.000 0.452) 0.452 5.816 ( 0.000 0.000 -1.828) 1.828 5.816 ( 0.000 0.000 1.828) 1.828 6.077 ( 0.000 -0.000 -7.159) 7.159 6.077 ( 0.000 0.000 7.159) 7.159 6.162 ( 0.000 0.000 -2.037) 2.037 6.162 ( 0.000 0.000 2.037) 2.037 6.379 ( 0.000 0.000 -4.242) 4.242 6.379 ( 0.000 -0.000 4.242) 4.242 6.540 ( 0.000 0.000 -10.211) 10.211 6.540 ( 0.000 -0.000 10.211) 10.211 6.685 ( -0.000 0.000 -3.986) 3.986 6.685 ( 0.000 0.000 3.986) 3.986 6.720 ( -0.000 -0.000 -2.556) 2.556 6.720 ( 0.000 -0.000 2.556) 2.556 6.962 ( 0.000 0.000 -0.234) 0.234 6.962 ( -0.000 0.000 0.234) 0.234 7.320 ( 0.000 -0.000 -4.440) 4.440 7.320 ( 0.000 0.000 4.440) 4.440 7.538 ( 0.000 0.000 -1.470) 1.470 7.538 ( -0.000 -0.000 1.470) 1.470 7.647 ( 0.000 0.000 -5.173) 5.173 7.647 ( -0.000 -0.000 5.173) 5.173 7.885 ( 0.000 0.000 -10.399) 10.399 7.885 ( 0.000 0.000 10.399) 10.399 8.044 ( 0.000 0.000 -6.995) 6.995 8.044 ( 0.000 0.000 6.995) 6.995 8.402 ( -0.000 0.000 -0.891) 0.891 8.402 ( 0.000 0.000 0.891) 0.891 8.478 ( 0.000 0.000 -1.496) 1.496 8.478 ( 0.000 0.000 1.496) 1.496 8.630 ( 0.000 0.000 -0.672) 0.672 8.630 ( 0.000 0.000 0.672) 0.672 8.742 ( 0.000 0.000 -4.001) 4.001 8.742 ( 0.000 0.000 4.001) 4.001 9.109 ( 0.000 0.000 -3.408) 3.408 9.109 ( 0.000 0.000 3.408) 3.408 12.254 ( 0.000 0.000 -2.584) 2.584 12.254 ( 0.000 0.000 2.584) 2.584 12.521 ( 0.000 0.000 -3.606) 3.606 12.521 ( 0.000 0.000 3.606) 3.606 12.717 ( 0.000 0.000 -7.305) 7.305 12.717 ( 0.000 -0.000 7.305) 7.305 12.958 ( 0.000 0.000 -1.033) 1.033 12.958 ( 0.000 0.000 1.033) 1.033 13.064 ( 0.000 0.000 -3.262) 3.262 13.064 ( 0.000 0.000 3.262) 3.262 13.658 ( 0.000 0.000 -1.783) 1.783 13.658 ( 0.000 0.000 1.783) 1.783 15.910 ( 0.000 0.000 -0.168) 0.168 15.910 ( 0.000 0.000 0.168) 0.168 15.983 ( 0.000 0.000 -2.388) 2.388 15.983 ( 0.000 0.000 2.388) 2.388 16.105 ( 0.000 0.000 -4.311) 4.311 16.105 ( 0.000 -0.000 4.311) 4.311 16.410 ( 0.000 0.000 -5.650) 5.650 16.410 ( 0.000 0.000 5.650) 5.650 16.476 ( 0.000 0.000 -2.566) 2.566 16.476 ( 0.000 0.000 2.566) 2.566 16.966 ( 0.000 -0.000 -3.045) 3.045 16.966 ( 0.000 0.000 3.045) 3.045 17.549 ( 0.000 0.000 -2.377) 2.377 17.549 ( 0.000 0.000 2.377) 2.377 17.619 ( 0.000 0.000 -2.536) 2.536 17.619 ( 0.000 0.000 2.536) 2.536 17.794 ( 0.000 0.000 -0.253) 0.253 17.794 ( 0.000 0.000 0.253) 0.253 27.565 ( 0.000 0.000 -0.040) 0.040 27.565 ( 0.000 0.000 0.040) 0.040 27.744 ( 0.000 0.000 -1.440) 1.440 27.744 ( 0.000 0.000 1.440) 1.440 27.768 ( 0.000 0.000 -0.314) 0.314 27.768 ( 0.000 0.000 0.314) 0.314 29.266 ( 0.000 0.000 -3.168) 3.168 29.266 ( 0.000 0.000 3.168) 3.168 29.405 ( 0.000 0.000 -2.345) 2.345 29.405 ( 0.000 0.000 2.345) 2.345 29.585 ( 0.000 0.000 -0.901) 0.901 29.585 ( 0.000 0.000 0.901) 0.901 30.438 ( 0.000 -0.000 -0.451) 0.451 30.438 ( 0.000 0.000 0.451) 0.451 30.543 ( 0.000 0.000 -1.154) 1.154 30.543 ( 0.000 0.000 1.154) 1.154 31.020 ( -0.000 -0.000 -3.776) 3.776 31.020 ( 0.000 0.000 3.776) 3.776 31.282 ( 0.000 0.000 -9.112) 9.112 31.282 ( 0.000 0.000 9.112) 9.112 31.617 ( 0.000 0.000 -1.850) 1.850 31.617 ( 0.000 0.000 1.850) 1.850 32.613 ( 0.000 0.000 -5.440) 5.440 32.613 ( 0.000 -0.000 5.440) 5.440 ======================= Grid point 188 (37/40) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.606 0.473 -6.836) 7.038 2.219 ( -1.606 0.473 6.836) 7.038 2.402 ( 6.093 6.875 -5.614) 10.766 2.402 ( 6.093 6.875 5.614) 10.766 2.759 ( 0.943 0.598 -5.080) 5.201 2.759 ( 0.943 0.598 5.080) 5.201 2.957 ( -1.310 -4.550 -7.750) 9.082 2.957 ( -1.310 -4.550 7.750) 9.082 3.278 ( 1.048 0.339 -6.704) 6.794 3.278 ( 1.048 0.339 6.704) 6.794 3.392 ( -5.563 2.741 -5.425) 8.240 3.392 ( -5.563 2.741 5.425) 8.240 3.672 ( -2.035 5.159 -1.101) 5.654 3.672 ( -2.035 5.159 1.101) 5.654 3.820 ( 10.456 -7.844 -5.392) 14.140 3.820 ( 10.456 -7.844 5.392) 14.140 4.081 ( 0.684 -2.329 -6.743) 7.167 4.081 ( 0.684 -2.329 6.743) 7.167 4.105 ( -4.215 10.058 -4.400) 11.760 4.105 ( -4.215 10.058 4.400) 11.760 4.385 ( 4.595 1.578 -16.010) 16.731 4.385 ( 4.595 1.578 16.010) 16.731 4.752 ( -4.074 -5.855 -6.416) 9.594 4.752 ( -4.074 -5.855 6.416) 9.594 4.919 ( 0.346 4.464 -7.050) 8.352 4.919 ( 0.346 4.464 7.050) 8.352 5.119 ( 5.417 0.222 -1.764) 5.702 5.119 ( 5.417 0.222 1.764) 5.702 5.212 ( -4.531 2.281 -3.678) 6.266 5.212 ( -4.531 2.281 3.678) 6.266 5.395 ( 0.908 0.346 -3.745) 3.869 5.395 ( 0.908 0.346 3.745) 3.869 5.517 ( -1.984 -4.367 -8.230) 9.526 5.517 ( -1.984 -4.367 8.230) 9.526 5.663 ( -0.393 -1.319 -13.261) 13.332 5.663 ( -0.393 -1.319 13.261) 13.332 5.877 ( -0.009 -2.574 -0.583) 2.639 5.877 ( -0.009 -2.574 0.583) 2.639 6.043 ( -0.587 -0.521 -6.352) 6.400 6.043 ( -0.587 -0.521 6.352) 6.400 6.210 ( -1.630 2.577 -5.214) 6.040 6.210 ( -1.630 2.577 5.214) 6.040 6.382 ( -0.144 1.260 -3.121) 3.369 6.382 ( -0.144 1.260 3.121) 3.369 6.452 ( 3.560 -2.175 -6.991) 8.142 6.452 ( 3.560 -2.175 6.991) 8.142 6.641 ( 0.821 -0.085 -6.774) 6.824 6.641 ( 0.821 -0.085 6.774) 6.824 6.809 ( 0.613 6.369 -7.511) 9.866 6.809 ( 0.613 6.369 7.511) 9.866 7.035 ( -1.593 -2.428 -1.921) 3.482 7.035 ( -1.593 -2.428 1.921) 3.482 7.268 ( 3.498 5.679 -4.055) 7.806 7.268 ( 3.498 5.679 4.055) 7.806 7.401 ( 0.787 -1.423 -0.520) 1.707 7.401 ( 0.787 -1.423 0.520) 1.707 7.661 ( 1.061 6.293 -2.609) 6.894 7.661 ( 1.061 6.293 2.609) 6.894 7.890 ( -2.262 -5.245 -3.557) 6.729 7.890 ( -2.262 -5.245 3.557) 6.729 8.043 ( 0.701 -1.256 -5.577) 5.760 8.043 ( 0.701 -1.256 5.577) 5.760 8.279 ( 2.931 5.729 -1.770) 6.675 8.279 ( 2.931 5.729 1.770) 6.675 8.500 ( -1.338 0.051 -4.245) 4.451 8.500 ( -1.338 0.051 4.245) 4.451 8.637 ( 1.697 -0.124 -2.563) 3.077 8.637 ( 1.697 -0.124 2.563) 3.077 8.707 ( 0.873 2.890 -3.140) 4.356 8.707 ( 0.873 2.890 3.140) 4.356 9.364 ( -7.963 -13.802 -4.823) 16.649 9.364 ( -7.963 -13.802 4.823) 16.649 12.292 ( -1.363 -2.315 -4.766) 5.471 12.292 ( -1.363 -2.315 4.766) 5.471 12.457 ( 2.494 4.141 -5.289) 7.165 12.457 ( 2.494 4.141 5.289) 7.165 12.738 ( -1.881 -2.935 -7.918) 8.651 12.738 ( -1.881 -2.935 7.918) 8.651 12.990 ( -0.086 -0.602 -5.927) 5.958 12.990 ( -0.086 -0.602 5.927) 5.958 13.053 ( 0.381 0.917 -6.904) 6.975 13.053 ( 0.381 0.917 6.904) 6.975 13.632 ( 0.829 1.442 -4.710) 4.995 13.632 ( 0.829 1.442 4.710) 4.995 15.922 ( -0.341 -0.530 -3.550) 3.606 15.922 ( -0.341 -0.530 3.550) 3.606 15.960 ( 0.574 0.941 -3.688) 3.849 15.960 ( 0.574 0.941 3.688) 3.849 16.151 ( -1.465 -2.558 -2.618) 3.942 16.151 ( -1.465 -2.558 2.618) 3.942 16.414 ( 0.071 0.084 -5.322) 5.323 16.414 ( 0.071 0.084 5.322) 5.323 16.446 ( 0.728 1.319 -4.675) 4.912 16.446 ( 0.728 1.319 4.675) 4.912 17.036 ( -2.485 -4.304 -4.552) 6.739 17.036 ( -2.485 -4.304 4.552) 6.739 17.554 ( 0.026 0.005 -4.253) 4.253 17.554 ( 0.026 0.005 4.253) 4.253 17.599 ( 0.439 0.795 -5.582) 5.656 17.599 ( 0.439 0.795 5.582) 5.656 17.778 ( 0.742 1.285 -0.753) 1.664 17.778 ( 0.742 1.285 0.753) 1.664 27.578 ( -0.483 -0.835 -0.150) 0.976 27.578 ( -0.483 -0.835 0.150) 0.976 27.738 ( 0.150 0.265 -1.342) 1.377 27.738 ( 0.150 0.265 1.342) 1.377 27.757 ( 0.489 0.841 -0.562) 1.124 27.757 ( 0.489 0.841 0.562) 1.124 29.284 ( -0.955 -1.631 -3.996) 4.420 29.284 ( -0.955 -1.631 3.996) 4.420 29.380 ( 1.265 2.152 -3.781) 4.531 29.380 ( 1.265 2.152 3.781) 4.531 29.600 ( -0.483 -0.815 -0.104) 0.953 29.600 ( -0.483 -0.815 0.104) 0.953 30.381 ( 1.550 2.612 -1.075) 3.222 30.381 ( 1.550 2.612 1.075) 3.222 30.454 ( 3.148 5.520 -0.901) 6.417 30.454 ( 3.148 5.520 0.901) 6.417 31.124 ( -3.778 -6.541 -6.100) 9.710 31.124 ( -3.778 -6.541 6.100) 9.710 31.344 ( -1.838 -3.160 -8.764) 9.495 31.344 ( -1.838 -3.160 8.764) 9.495 31.554 ( 2.380 4.096 -4.586) 6.594 31.554 ( 2.380 4.096 4.586) 6.594 32.632 ( -0.602 -1.041 -10.088) 10.159 32.632 ( -0.602 -1.041 10.088) 10.159 ======================= Grid point 190 (38/40) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -2.399 4.159 -4.699) 6.719 2.196 ( -2.399 4.159 4.699) 6.719 2.455 ( -4.455 3.273 -2.458) 6.050 2.455 ( -4.455 3.273 2.458) 6.050 2.890 ( 5.829 -7.726 -6.892) 11.881 2.890 ( 5.829 -7.726 6.892) 11.881 2.938 ( 9.085 2.465 -3.885) 10.184 2.938 ( 9.085 2.465 3.885) 10.184 3.228 ( -8.743 2.126 -3.637) 9.705 3.228 ( -8.743 2.126 3.637) 9.705 3.394 ( 8.123 -7.086 -5.517) 12.110 3.394 ( 8.123 -7.086 5.517) 12.110 3.650 ( -0.075 0.686 -0.938) 1.165 3.650 ( -0.075 0.686 0.938) 1.165 3.777 ( -5.580 -3.287 -1.071) 6.564 3.777 ( -5.580 -3.287 1.071) 6.564 4.132 ( -4.552 5.920 -4.359) 8.647 4.132 ( -4.552 5.920 4.359) 8.647 4.188 ( 5.320 4.980 -11.599) 13.698 4.188 ( 5.320 4.980 11.599) 13.698 4.500 ( 0.472 3.914 -6.642) 7.724 4.500 ( 0.472 3.914 6.642) 7.724 4.629 ( -2.116 2.153 -19.453) 19.685 4.629 ( -2.116 2.153 19.453) 19.685 4.956 ( 2.816 -6.039 -5.386) 8.568 4.956 ( 2.816 -6.039 5.386) 8.568 5.106 ( -4.223 1.376 -5.016) 6.700 5.106 ( -4.223 1.376 5.016) 6.700 5.156 ( -2.581 0.505 -3.867) 4.677 5.156 ( -2.581 0.505 3.867) 4.677 5.397 ( 1.452 0.743 -5.258) 5.505 5.397 ( 1.452 0.743 5.258) 5.505 5.524 ( 4.986 -4.078 -0.976) 6.515 5.524 ( 4.986 -4.078 0.976) 6.515 5.724 ( 0.344 -2.029 -8.463) 8.710 5.724 ( 0.344 -2.029 8.463) 8.710 5.813 ( -0.174 2.476 -6.824) 7.261 5.813 ( -0.174 2.476 6.824) 7.261 6.039 ( 0.470 -3.729 -6.192) 7.244 6.039 ( 0.470 -3.729 6.192) 7.244 6.209 ( -1.615 4.470 -6.314) 7.903 6.209 ( -1.615 4.470 6.314) 7.903 6.352 ( 0.856 -1.701 -9.204) 9.399 6.352 ( 0.856 -1.701 9.204) 9.399 6.592 ( 7.106 2.166 -3.240) 8.104 6.592 ( 7.106 2.166 3.240) 8.104 6.597 ( -3.430 -1.976 -2.932) 4.925 6.597 ( -3.430 -1.976 2.931) 4.925 6.840 ( -6.854 5.945 -0.608) 9.093 6.840 ( -6.854 5.945 0.608) 9.093 6.953 ( 0.271 -3.288 -3.578) 4.867 6.953 ( 0.271 -3.288 3.578) 4.867 7.310 ( 0.248 -1.443 -1.149) 1.861 7.310 ( 0.248 -1.443 1.149) 1.861 7.531 ( 7.618 5.564 -2.383) 9.730 7.531 ( 7.618 5.564 2.383) 9.730 7.646 ( -4.825 2.004 -4.272) 6.749 7.646 ( -4.825 2.004 4.272) 6.749 7.848 ( 1.460 -5.642 -8.061) 9.947 7.848 ( 1.460 -5.642 8.061) 9.947 8.050 ( 0.104 0.329 -9.895) 9.901 8.050 ( 0.104 0.329 9.895) 9.901 8.354 ( 2.185 -1.648 -0.517) 2.785 8.354 ( 2.185 -1.648 0.517) 2.785 8.521 ( 0.223 6.427 -2.580) 6.929 8.521 ( 0.223 6.427 2.580) 6.929 8.654 ( -0.055 2.337 -8.234) 8.560 8.654 ( -0.055 2.337 8.234) 8.560 8.748 ( 0.299 0.639 -9.860) 9.885 8.748 ( 0.299 0.639 9.860) 9.885 9.102 ( -5.308 -9.968 -4.640) 12.209 9.102 ( -5.308 -9.968 4.640) 12.209 12.252 ( -0.662 -1.351 -5.000) 5.221 12.252 ( -0.662 -1.351 5.000) 5.221 12.534 ( 1.066 3.453 -5.751) 6.792 12.534 ( 1.066 3.453 5.751) 6.792 12.685 ( 0.031 -3.568 -6.952) 7.814 12.685 ( 0.031 -3.568 6.952) 7.814 12.978 ( -0.934 0.317 -4.771) 4.872 12.978 ( -0.934 0.317 4.771) 4.872 13.066 ( 0.170 0.598 -5.651) 5.685 13.066 ( 0.170 0.598 5.651) 5.685 13.656 ( 0.494 0.583 -2.192) 2.321 13.656 ( 0.494 0.583 2.192) 2.321 15.913 ( -0.278 -0.074 -0.898) 0.943 15.913 ( -0.278 -0.074 0.898) 0.943 15.980 ( 0.579 0.581 -1.597) 1.796 15.980 ( 0.579 0.581 1.597) 1.796 16.106 ( -0.911 -1.494 -5.224) 5.509 16.106 ( -0.911 -1.494 5.224) 5.509 16.415 ( -0.194 0.366 -5.389) 5.405 16.415 ( -0.194 0.366 5.389) 5.405 16.471 ( 0.695 0.555 -2.854) 2.989 16.471 ( 0.695 0.555 2.854) 2.989 16.966 ( -1.213 -2.150 -3.059) 3.931 16.966 ( -1.213 -2.150 3.059) 3.931 17.557 ( -0.233 0.728 -1.603) 1.776 17.557 ( -0.233 0.728 1.603) 1.776 17.611 ( 0.525 -0.189 -5.393) 5.422 17.611 ( 0.525 -0.189 5.393) 5.422 17.794 ( 0.214 0.364 -0.418) 0.594 17.794 ( 0.214 0.364 0.418) 0.594 27.565 ( -0.214 -0.375 -0.067) 0.437 27.565 ( -0.214 -0.375 0.067) 0.437 27.742 ( 0.135 0.031 -1.510) 1.516 27.742 ( 0.135 0.031 1.510) 1.516 27.770 ( 0.155 0.443 -0.313) 0.564 27.770 ( 0.155 0.443 0.313) 0.564 29.258 ( -0.180 -1.202 -3.844) 4.032 29.258 ( -0.180 -1.202 3.844) 4.032 29.417 ( 0.291 1.895 -2.432) 3.097 29.417 ( 0.291 1.895 2.432) 3.097 29.584 ( -0.272 -0.643 -0.658) 0.959 29.584 ( -0.272 -0.643 0.658) 0.959 30.430 ( 1.277 1.294 -0.145) 1.823 30.430 ( 1.277 1.294 0.145) 1.823 30.550 ( 1.584 3.605 -0.925) 4.045 30.550 ( 1.584 3.605 0.925) 4.045 31.014 ( -1.808 -3.894 -4.541) 6.249 31.014 ( -1.808 -3.894 4.541) 6.249 31.282 ( -1.278 -2.135 -10.972) 11.250 31.282 ( -1.278 -2.135 10.972) 11.250 31.621 ( 1.054 2.307 -2.323) 3.440 31.621 ( 1.054 2.307 2.323) 3.440 32.613 ( -0.342 -0.658 -5.286) 5.338 32.613 ( -0.342 -0.658 5.286) 5.338 ======================= Grid point 192 (39/40) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -1.213 3.928 -8.816) 9.728 2.216 ( -1.213 3.928 8.816) 9.728 2.433 ( -1.777 5.435 -6.458) 8.626 2.433 ( -1.777 5.435 6.458) 8.626 2.836 ( -1.265 -6.486 -3.596) 7.523 2.836 ( -1.265 -6.486 3.596) 7.523 2.987 ( -5.119 -7.277 -2.487) 9.239 2.987 ( -5.119 -7.277 2.487) 9.239 3.222 ( 7.955 4.331 -4.696) 10.202 3.222 ( 7.955 4.331 4.696) 10.202 3.438 ( 2.300 -9.256 -4.591) 10.585 3.438 ( 2.300 -9.256 4.591) 10.585 3.661 ( 1.723 -1.417 -4.751) 5.248 3.661 ( 1.723 -1.417 4.751) 5.249 3.753 ( 2.014 6.224 -0.756) 6.586 3.753 ( 2.014 6.224 0.756) 6.586 4.058 ( -9.655 5.066 -10.538) 15.163 4.058 ( -9.655 5.066 10.538) 15.163 4.241 ( 1.310 0.250 -2.998) 3.281 4.241 ( 1.310 0.250 2.998) 3.281 4.485 ( -8.949 0.748 -11.687) 14.738 4.485 ( -8.949 0.748 11.687) 14.738 4.637 ( 1.519 4.187 -12.974) 13.717 4.637 ( 1.519 4.187 12.974) 13.717 4.958 ( 5.476 -5.880 -2.746) 8.491 4.958 ( 5.476 -5.880 2.746) 8.491 5.081 ( -1.789 3.011 -5.629) 6.630 5.081 ( -1.789 3.011 5.629) 6.630 5.236 ( 5.432 4.434 -3.465) 7.821 5.236 ( 5.432 4.434 3.465) 7.821 5.391 ( -1.011 -1.745 -1.673) 2.621 5.391 ( -1.011 -1.745 1.673) 2.621 5.473 ( -2.298 -5.795 -2.699) 6.793 5.473 ( -2.298 -5.795 2.699) 6.793 5.713 ( 0.589 -0.962 -11.969) 12.022 5.713 ( 0.589 -0.962 11.969) 12.022 5.841 ( -1.417 0.346 -4.206) 4.452 5.841 ( -1.417 0.346 4.206) 4.452 6.028 ( 2.916 -1.836 -1.913) 3.941 6.028 ( 2.916 -1.836 1.913) 3.941 6.230 ( -1.316 3.236 -4.789) 5.928 6.230 ( -1.316 3.236 4.789) 5.928 6.369 ( 3.341 -3.493 -7.245) 8.710 6.369 ( 3.341 -3.493 7.245) 8.710 6.488 ( -6.992 2.182 -4.688) 8.696 6.488 ( -6.992 2.182 4.688) 8.696 6.653 ( -0.314 -2.403 -6.076) 6.541 6.653 ( -0.314 -2.403 6.076) 6.541 6.851 ( 0.870 7.377 -9.014) 11.680 6.851 ( 0.870 7.377 9.014) 11.680 6.967 ( 2.604 -1.424 -4.449) 5.349 6.967 ( 2.604 -1.424 4.449) 5.349 7.303 ( 0.802 -0.898 -3.447) 3.651 7.303 ( 0.802 -0.898 3.447) 3.651 7.493 ( -8.397 -1.364 -1.550) 8.647 7.493 ( -8.397 -1.364 1.550) 8.647 7.729 ( 0.870 5.329 -4.433) 6.986 7.729 ( 0.870 5.329 4.433) 6.986 7.807 ( 3.957 -6.912 -7.933) 11.241 7.807 ( 3.957 -6.912 7.933) 11.241 8.039 ( -1.391 0.574 -9.709) 9.825 8.039 ( -1.391 0.574 9.709) 9.825 8.350 ( -0.003 -2.277 -1.071) 2.516 8.350 ( -0.003 -2.277 1.071) 2.516 8.542 ( -3.879 2.088 -4.923) 6.606 8.542 ( -3.879 2.088 4.923) 6.606 8.643 ( -3.384 1.462 -5.457) 6.586 8.643 ( -3.384 1.462 5.457) 6.586 8.747 ( -0.229 0.131 -6.855) 6.860 8.747 ( -0.229 0.131 6.855) 6.860 9.103 ( 11.257 -0.391 -0.982) 11.306 9.103 ( 11.257 -0.391 0.982) 11.306 12.253 ( 1.516 -0.107 -4.884) 5.115 12.253 ( 1.516 -0.107 4.884) 5.115 12.532 ( -3.588 0.833 -5.372) 6.514 12.532 ( -3.588 0.833 5.372) 6.514 12.688 ( 3.226 -1.888 -7.084) 8.010 12.688 ( 3.226 -1.888 7.084) 8.010 12.975 ( -0.006 1.046 -1.241) 1.623 12.975 ( -0.006 1.046 1.241) 1.623 13.067 ( -0.510 0.127 -4.130) 4.163 13.067 ( -0.510 0.127 4.130) 4.163 13.656 ( -0.748 -0.138 -2.194) 2.322 13.656 ( -0.748 -0.138 2.194) 2.322 15.913 ( 0.229 0.196 -1.840) 1.865 15.913 ( 0.229 0.196 1.840) 1.865 15.980 ( -0.814 -0.206 -1.984) 2.154 15.980 ( -0.814 -0.206 1.984) 2.154 16.105 ( 1.736 0.048 -5.266) 5.545 16.105 ( 1.736 0.048 5.266) 5.545 16.415 ( -0.233 0.353 -5.410) 5.426 16.415 ( -0.233 0.353 5.410) 5.427 16.471 ( -0.803 -0.331 -2.853) 2.982 16.471 ( -0.803 -0.331 2.853) 2.982 16.966 ( 2.468 -0.024 -3.060) 3.931 16.966 ( 2.468 -0.024 3.060) 3.931 17.557 ( -0.529 0.568 -2.740) 2.848 17.557 ( -0.529 0.568 2.740) 2.848 17.611 ( -0.086 -0.550 -5.699) 5.727 17.611 ( -0.086 -0.550 5.699) 5.727 17.794 ( -0.422 -0.003 -0.367) 0.559 17.794 ( -0.422 -0.003 0.367) 0.559 27.565 ( 0.433 -0.003 -0.059) 0.437 27.565 ( 0.433 -0.003 0.059) 0.437 27.742 ( -0.092 -0.102 -1.496) 1.502 27.742 ( -0.092 -0.102 1.496) 1.502 27.770 ( -0.465 0.088 -0.298) 0.559 27.770 ( -0.465 0.088 0.298) 0.559 29.258 ( 1.140 -0.449 -3.806) 3.998 29.258 ( 1.140 -0.449 3.806) 3.998 29.417 ( -1.806 0.704 -2.506) 3.168 29.417 ( -1.806 0.704 2.506) 3.168 29.584 ( 0.705 -0.091 -0.727) 1.017 29.584 ( 0.705 -0.091 0.727) 1.017 30.430 ( -1.793 -0.443 -1.000) 2.100 30.430 ( -1.793 -0.443 1.000) 2.100 30.551 ( -3.882 0.415 -0.303) 3.916 30.551 ( -3.882 0.415 0.303) 3.916 31.014 ( 4.278 -0.381 -4.661) 6.338 31.014 ( 4.278 -0.381 4.661) 6.338 31.282 ( 2.498 0.036 -10.914) 11.196 31.282 ( 2.498 0.036 10.914) 11.196 31.621 ( -2.537 0.245 -2.482) 3.557 31.621 ( -2.537 0.245 2.482) 3.557 32.613 ( 0.742 -0.033 -5.299) 5.351 32.613 ( 0.742 -0.033 5.299) 5.351 ======================= Grid point 202 (40/40) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.000 0.000 -7.905) 7.905 2.311 ( 0.000 -0.000 7.905) 7.905 2.410 ( -0.000 -0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.820 ( -0.000 -0.000 0.000) 0.000 2.820 ( -0.000 -0.000 0.000) 0.000 3.071 ( -0.000 -0.000 0.000) 0.000 3.071 ( -0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 -11.019) 11.019 3.104 ( 0.000 -0.000 11.019) 11.019 3.349 ( -0.000 -0.000 0.000) 0.000 3.349 ( 0.000 -0.000 0.000) 0.000 3.655 ( -0.000 -0.000 -9.806) 9.806 3.655 ( 0.000 -0.000 9.806) 9.806 3.733 ( -0.000 -0.000 0.000) 0.000 3.733 ( -0.000 -0.000 0.000) 0.000 4.151 ( -0.000 -0.000 0.000) 0.000 4.151 ( -0.000 0.000 0.000) 0.000 4.300 ( -0.000 -0.000 -20.849) 20.849 4.300 ( -0.000 -0.000 20.849) 20.849 4.608 ( -0.000 0.000 -0.000) 0.000 4.608 ( -0.000 -0.000 0.000) 0.000 4.660 ( 0.000 -0.000 -27.500) 27.500 4.660 ( 0.000 -0.000 27.500) 27.500 4.817 ( 0.000 -0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.130 ( -0.000 -0.000 -5.093) 5.093 5.130 ( -0.000 0.000 5.093) 5.093 5.179 ( -0.000 -0.000 0.000) 0.000 5.179 ( -0.000 -0.000 0.000) 0.000 5.370 ( -0.000 0.000 0.000) 0.000 5.370 ( -0.000 -0.000 0.000) 0.000 5.516 ( -0.000 -0.000 0.000) 0.000 5.516 ( -0.000 -0.000 0.000) 0.000 5.652 ( -0.000 -0.000 0.000) 0.000 5.652 ( 0.000 -0.000 0.000) 0.000 5.891 ( -0.000 -0.000 -6.168) 6.168 5.891 ( -0.000 -0.000 6.168) 6.168 5.979 ( 0.000 -0.000 0.000) 0.000 5.979 ( 0.000 -0.000 0.000) 0.000 6.286 ( -0.000 -0.000 0.000) 0.000 6.286 ( -0.000 0.000 0.001) 0.001 6.291 ( 0.000 -0.000 -0.000) 0.001 6.291 ( -0.000 0.000 -0.000) 0.000 6.590 ( -0.000 -0.000 0.000) 0.000 6.590 ( -0.000 0.000 0.000) 0.000 6.636 ( 0.000 -0.000 -10.430) 10.430 6.636 ( -0.000 0.000 10.430) 10.430 6.868 ( 0.000 -0.000 -0.000) 0.000 6.868 ( -0.000 0.000 0.000) 0.000 6.934 ( -0.000 -0.000 -11.089) 11.089 6.934 ( -0.000 -0.000 11.089) 11.089 7.283 ( -0.000 -0.000 0.000) 0.000 7.283 ( -0.000 -0.000 0.000) 0.000 7.614 ( -0.000 -0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.716 ( -0.000 -0.000 -2.561) 2.561 7.716 ( -0.000 0.000 2.561) 2.561 7.728 ( -0.000 -0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 8.052 ( -0.000 -0.000 -10.914) 10.914 8.052 ( -0.000 -0.000 10.914) 10.914 8.321 ( -0.000 -0.000 0.000) 0.000 8.321 ( -0.000 -0.000 0.000) 0.000 8.613 ( -0.000 -0.000 -0.000) 0.000 8.613 ( -0.000 -0.000 0.000) 0.000 8.688 ( -0.000 -0.000 -0.000) 0.000 8.688 ( 0.000 -0.000 0.000) 0.000 8.765 ( -0.000 -0.000 -16.047) 16.047 8.765 ( -0.000 -0.000 16.047) 16.047 8.966 ( -0.000 -0.000 0.000) 0.000 8.966 ( 0.000 -0.000 0.000) 0.000 12.237 ( -0.000 -0.000 -5.965) 5.965 12.237 ( -0.000 -0.000 5.965) 5.965 12.605 ( 0.000 0.000 -0.000) 0.000 12.605 ( -0.000 0.000 0.000) 0.000 12.611 ( -0.000 -0.000 -0.000) 0.000 12.611 ( 0.000 -0.000 0.000) 0.000 12.981 ( -0.000 -0.000 0.000) 0.000 12.981 ( -0.000 0.000 0.000) 0.000 13.075 ( -0.000 -0.000 -5.608) 5.608 13.075 ( -0.000 -0.000 5.608) 5.608 13.662 ( -0.000 -0.000 0.000) 0.000 13.662 ( -0.000 -0.000 0.000) 0.000 15.913 ( -0.000 -0.000 -0.000) 0.000 15.913 ( -0.000 -0.000 0.000) 0.000 15.987 ( -0.000 -0.000 -0.000) 0.000 15.987 ( -0.000 -0.000 0.000) 0.000 16.088 ( 0.000 -0.000 -7.815) 7.815 16.088 ( -0.000 -0.000 7.815) 7.815 16.420 ( 0.000 -0.000 -5.253) 5.253 16.420 ( -0.000 -0.000 5.253) 5.253 16.477 ( -0.000 -0.000 0.000) 0.000 16.477 ( -0.000 -0.000 0.000) 0.000 16.942 ( -0.000 -0.000 0.000) 0.000 16.942 ( -0.000 -0.000 0.000) 0.000 17.569 ( -0.000 -0.000 0.000) 0.000 17.569 ( -0.000 -0.000 0.000) 0.000 17.606 ( 0.000 -0.000 -8.589) 8.589 17.606 ( -0.000 -0.000 8.589) 8.589 17.798 ( -0.000 -0.000 0.000) 0.000 17.798 ( -0.000 -0.000 0.000) 0.000 27.561 ( -0.000 -0.000 0.000) 0.000 27.561 ( -0.000 -0.000 0.000) 0.000 27.743 ( -0.000 -0.000 -1.590) 1.590 27.743 ( -0.000 -0.000 1.590) 1.590 27.774 ( -0.000 -0.000 0.000) 0.000 27.774 ( -0.000 -0.000 0.000) 0.000 29.244 ( -0.000 -0.000 -4.038) 4.038 29.244 ( -0.000 -0.000 4.038) 4.038 29.440 ( -0.000 -0.000 0.000) 0.000 29.440 ( -0.000 -0.000 0.000) 0.000 29.576 ( -0.000 -0.000 0.000) 0.000 29.576 ( -0.000 -0.000 0.000) 0.000 30.445 ( -0.000 -0.000 0.000) 0.000 30.445 ( -0.000 -0.000 0.000) 0.000 30.592 ( -0.000 -0.000 0.000) 0.000 30.592 ( -0.000 -0.000 0.000) 0.000 30.969 ( -0.000 -0.000 -4.822) 4.822 30.969 ( -0.000 -0.000 4.822) 4.822 31.257 ( -0.000 -0.000 -12.881) 12.881 31.257 ( -0.000 -0.000 12.881) 12.881 31.648 ( -0.000 -0.000 0.000) 0.000 31.648 ( -0.000 -0.000 0.000) 0.000 32.605 ( -0.000 -0.000 0.000) 0.000 32.605 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36288 10.0 7.266 7.266 19.018 -0.000 0.000 -0.000 3/36288 20.0 5.785 5.785 11.195 -0.000 0.000 -0.000 3/36288 30.0 3.700 3.700 7.029 -0.000 0.000 -0.000 3/36288 40.0 2.586 2.586 4.972 -0.000 0.000 -0.000 3/36288 50.0 1.972 1.972 3.826 -0.000 0.000 -0.000 3/36288 60.0 1.596 1.596 3.115 -0.000 0.000 -0.000 3/36288 70.0 1.347 1.347 2.638 -0.000 0.000 -0.000 3/36288 80.0 1.169 1.169 2.296 -0.000 0.000 -0.000 3/36288 90.0 1.037 1.037 2.040 -0.000 0.000 -0.000 3/36288 100.0 0.934 0.934 1.840 -0.000 0.000 -0.000 3/36288 110.0 0.852 0.852 1.680 -0.000 0.000 -0.000 3/36288 120.0 0.784 0.784 1.548 -0.000 0.000 -0.000 3/36288 130.0 0.727 0.727 1.438 -0.000 0.000 -0.000 3/36288 140.0 0.679 0.679 1.344 -0.000 0.000 -0.000 3/36288 150.0 0.637 0.637 1.263 -0.000 0.000 -0.000 3/36288 160.0 0.600 0.600 1.193 -0.000 0.000 -0.000 3/36288 170.0 0.568 0.568 1.132 -0.000 0.000 -0.000 3/36288 180.0 0.539 0.539 1.078 -0.000 0.000 -0.000 3/36288 190.0 0.514 0.514 1.030 -0.000 0.000 -0.000 3/36288 200.0 0.491 0.491 0.987 -0.000 0.000 -0.000 3/36288 210.0 0.470 0.470 0.949 -0.000 0.000 -0.000 3/36288 220.0 0.451 0.451 0.915 -0.000 0.000 -0.000 3/36288 230.0 0.434 0.434 0.884 -0.000 0.000 -0.000 3/36288 240.0 0.418 0.418 0.856 -0.000 0.000 -0.000 3/36288 250.0 0.404 0.404 0.831 -0.000 0.000 -0.000 3/36288 260.0 0.391 0.391 0.808 -0.000 0.000 -0.000 3/36288 270.0 0.378 0.378 0.786 -0.000 0.000 -0.000 3/36288 280.0 0.367 0.367 0.767 -0.000 0.000 -0.000 3/36288 290.0 0.357 0.357 0.748 -0.000 0.000 -0.000 3/36288 300.0 0.347 0.347 0.732 -0.000 0.000 -0.000 3/36288 310.0 0.338 0.338 0.716 -0.000 0.000 -0.000 3/36288 320.0 0.329 0.329 0.701 -0.000 0.000 -0.000 3/36288 330.0 0.321 0.321 0.687 -0.000 0.000 -0.000 3/36288 340.0 0.313 0.313 0.674 -0.000 0.000 -0.000 3/36288 350.0 0.306 0.306 0.662 -0.000 0.000 -0.000 3/36288 360.0 0.299 0.299 0.650 -0.000 0.000 -0.000 3/36288 370.0 0.293 0.293 0.639 -0.000 0.000 -0.000 3/36288 380.0 0.286 0.286 0.628 -0.000 0.000 -0.000 3/36288 390.0 0.280 0.280 0.618 -0.000 0.000 -0.000 3/36288 400.0 0.275 0.275 0.608 -0.000 0.000 -0.000 3/36288 410.0 0.269 0.269 0.598 -0.000 0.000 -0.000 3/36288 420.0 0.264 0.264 0.589 -0.000 0.000 -0.000 3/36288 430.0 0.259 0.259 0.580 -0.000 0.000 -0.000 3/36288 440.0 0.255 0.255 0.572 -0.000 0.000 -0.000 3/36288 450.0 0.250 0.250 0.564 -0.000 0.000 -0.000 3/36288 460.0 0.246 0.246 0.555 -0.000 0.000 -0.000 3/36288 470.0 0.241 0.241 0.548 -0.000 0.000 -0.000 3/36288 480.0 0.237 0.237 0.540 -0.000 0.000 -0.000 3/36288 490.0 0.233 0.233 0.533 -0.000 0.000 -0.000 3/36288 500.0 0.230 0.230 0.526 -0.000 0.000 -0.000 3/36288 510.0 0.226 0.226 0.519 -0.000 0.000 -0.000 3/36288 520.0 0.222 0.222 0.512 -0.000 0.000 -0.000 3/36288 530.0 0.219 0.219 0.505 -0.000 0.000 -0.000 3/36288 540.0 0.216 0.216 0.499 -0.000 0.000 -0.000 3/36288 550.0 0.212 0.212 0.492 -0.000 0.000 -0.000 3/36288 560.0 0.209 0.209 0.486 -0.000 0.000 -0.000 3/36288 570.0 0.206 0.206 0.480 -0.000 0.000 -0.000 3/36288 580.0 0.203 0.203 0.474 -0.000 0.000 -0.000 3/36288 590.0 0.200 0.200 0.468 -0.000 0.000 -0.000 3/36288 600.0 0.197 0.197 0.463 -0.000 0.000 -0.000 3/36288 610.0 0.195 0.195 0.457 -0.000 0.000 -0.000 3/36288 620.0 0.192 0.192 0.452 -0.000 0.000 -0.000 3/36288 630.0 0.189 0.189 0.447 -0.000 0.000 -0.000 3/36288 640.0 0.187 0.187 0.441 -0.000 0.000 -0.000 3/36288 650.0 0.184 0.184 0.436 -0.000 -0.000 -0.000 3/36288 660.0 0.182 0.182 0.431 -0.000 -0.000 -0.000 3/36288 670.0 0.180 0.180 0.426 -0.000 -0.000 -0.000 3/36288 680.0 0.177 0.177 0.422 -0.000 -0.000 -0.000 3/36288 690.0 0.175 0.175 0.417 -0.000 -0.000 -0.000 3/36288 700.0 0.173 0.173 0.412 -0.000 -0.000 -0.000 3/36288 710.0 0.171 0.171 0.408 -0.000 -0.000 -0.000 3/36288 720.0 0.169 0.169 0.404 -0.000 -0.000 -0.000 3/36288 730.0 0.167 0.167 0.399 -0.000 -0.000 -0.000 3/36288 740.0 0.165 0.165 0.395 -0.000 -0.000 -0.000 3/36288 750.0 0.163 0.163 0.391 -0.000 -0.000 -0.000 3/36288 760.0 0.161 0.161 0.387 -0.000 -0.000 -0.000 3/36288 770.0 0.159 0.159 0.383 -0.000 -0.000 -0.000 3/36288 780.0 0.157 0.157 0.379 -0.000 -0.000 -0.000 3/36288 790.0 0.156 0.156 0.375 -0.000 -0.000 -0.000 3/36288 800.0 0.154 0.154 0.371 -0.000 -0.000 -0.000 3/36288 810.0 0.152 0.152 0.367 -0.000 -0.000 -0.000 3/36288 820.0 0.151 0.151 0.364 -0.000 -0.000 -0.000 3/36288 830.0 0.149 0.149 0.360 -0.000 -0.000 -0.000 3/36288 840.0 0.147 0.147 0.357 -0.000 -0.000 -0.000 3/36288 850.0 0.146 0.146 0.353 -0.000 -0.000 -0.000 3/36288 860.0 0.144 0.144 0.350 -0.000 -0.000 -0.000 3/36288 870.0 0.143 0.143 0.346 -0.000 -0.000 -0.000 3/36288 880.0 0.141 0.141 0.343 -0.000 -0.000 -0.000 3/36288 890.0 0.140 0.140 0.340 -0.000 -0.000 -0.000 3/36288 900.0 0.138 0.138 0.337 -0.000 -0.000 -0.000 3/36288 910.0 0.137 0.137 0.334 -0.000 -0.000 -0.000 3/36288 920.0 0.136 0.136 0.331 -0.000 -0.000 -0.000 3/36288 930.0 0.134 0.134 0.328 -0.000 -0.000 -0.000 3/36288 940.0 0.133 0.133 0.325 -0.000 -0.000 -0.000 3/36288 950.0 0.132 0.132 0.322 -0.000 -0.000 -0.000 3/36288 960.0 0.131 0.131 0.319 -0.000 -0.000 -0.000 3/36288 970.0 0.129 0.129 0.316 -0.000 -0.000 -0.000 3/36288 980.0 0.128 0.128 0.313 -0.000 -0.000 -0.000 3/36288 990.0 0.127 0.127 0.310 -0.000 -0.000 -0.000 3/36288 1000.0 0.126 0.126 0.308 -0.000 -0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:10:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|