----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:29:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 7.666162020000002 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): *1 K 0.68185988632126 0.92667432005432 0.38374461321798 39.098 *2 K 0.09067659100498 0.06660357110855 0.85120138176535 39.098 *3 K 0.31925101892837 0.57165846323961 0.76721249369613 39.098 4 K 0.90932340899502 0.93339642889145 0.14879861823465 39.098 5 K 0.68185988632126 0.57332567994568 0.88374461321798 39.098 6 K 0.68074898107163 0.42834153676039 0.23278750630387 39.098 7 K 0.90932340899502 0.56660357110855 0.64879861823465 39.098 8 K 0.31814011367874 0.42667432005432 0.11625538678202 39.098 9 K 0.31925101892837 0.92834153676039 0.26721249369613 39.098 10 K 0.09067659100498 0.43339642889145 0.35120138176535 39.098 11 K 0.31814011367874 0.07332567994568 0.61625538678202 39.098 12 K 0.68074898107163 0.07165846323961 0.73278750630387 39.098 *13 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 *14 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 15 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 *17 Cl 0.35106503500633 0.70732701550792 0.50743108502853 35.453 *18 Cl 0.87671164168866 0.99810933481685 0.62323883497493 35.453 *19 Cl 0.09356143363484 0.27969458927789 0.59865919932791 35.453 *20 Cl 0.50069939615347 0.86536193260757 0.80862920490397 35.453 *21 Cl 0.65250390139381 0.70864501526451 0.60637734646607 35.453 22 Cl 0.34749609860619 0.20864501526451 0.89362265353393 35.453 *23 Cl 0.86673378758218 0.17573167929330 0.34338140286476 35.453 24 Cl 0.12328835831134 0.00189066518315 0.37676116502508 35.453 25 Cl 0.64893496499367 0.20732701550792 0.99256891497147 35.453 26 Cl 0.13326621241782 0.82426832070670 0.65661859713523 35.453 27 Cl 0.49930060384653 0.13463806739243 0.19137079509603 35.453 28 Cl 0.50069939615347 0.63463806739243 0.30862920490397 35.453 29 Cl 0.87671164168866 0.50189066518315 0.12323883497492 35.453 30 Cl 0.12328835831134 0.49810933481685 0.87676116502507 35.453 31 Cl 0.13326621241782 0.67573167929330 0.15661859713523 35.453 32 Cl 0.09356143363484 0.22030541072211 0.09865919932791 35.453 33 Cl 0.35106503500633 0.79267298449208 0.00743108502853 35.453 34 Cl 0.65250390139381 0.79135498473549 0.10637734646607 35.453 35 Cl 0.90643856636516 0.72030541072211 0.40134080067209 35.453 36 Cl 0.64893496499367 0.29267298449208 0.49256891497147 35.453 37 Cl 0.86673378758218 0.32426832070670 0.84338140286477 35.453 38 Cl 0.90643856636516 0.77969458927789 0.90134080067209 35.453 39 Cl 0.49930060384653 0.36536193260757 0.69137079509603 35.453 40 Cl 0.34749609860619 0.29135498473549 0.39362265353393 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 7.666162020000002 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): *1 K 0.68185988632126 0.92667432005432 0.38374461321798 39.098 > 1 *2 K 0.09067659100498 0.06660357110855 0.85120138176535 39.098 > 2 *3 K 0.31925101892837 0.57165846323961 0.76721249369613 39.098 > 3 4 K 0.90932340899502 0.93339642889145 0.14879861823465 39.098 > 4 5 K 0.68185988632126 0.57332567994568 0.88374461321798 39.098 > 5 6 K 0.68074898107163 0.42834153676039 0.23278750630387 39.098 > 6 7 K 0.90932340899502 0.56660357110855 0.64879861823465 39.098 > 7 8 K 0.31814011367874 0.42667432005432 0.11625538678202 39.098 > 8 9 K 0.31925101892837 0.92834153676039 0.26721249369613 39.098 > 9 10 K 0.09067659100498 0.43339642889145 0.35120138176535 39.098 > 10 11 K 0.31814011367874 0.07332567994568 0.61625538678202 39.098 > 11 12 K 0.68074898107163 0.07165846323961 0.73278750630387 39.098 > 12 *13 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 13 *14 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 14 15 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 15 16 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 16 *17 Cl 0.35106503500633 0.70732701550792 0.50743108502853 35.453 > 17 *18 Cl 0.87671164168866 0.99810933481685 0.62323883497493 35.453 > 18 *19 Cl 0.09356143363484 0.27969458927789 0.59865919932791 35.453 > 19 *20 Cl 0.50069939615347 0.86536193260757 0.80862920490397 35.453 > 20 *21 Cl 0.65250390139381 0.70864501526451 0.60637734646607 35.453 > 21 22 Cl 0.34749609860619 0.20864501526451 0.89362265353393 35.453 > 22 *23 Cl 0.86673378758218 0.17573167929330 0.34338140286476 35.453 > 23 24 Cl 0.12328835831134 0.00189066518315 0.37676116502508 35.453 > 24 25 Cl 0.64893496499367 0.20732701550792 0.99256891497147 35.453 > 25 26 Cl 0.13326621241782 0.82426832070670 0.65661859713523 35.453 > 26 27 Cl 0.49930060384653 0.13463806739243 0.19137079509603 35.453 > 27 28 Cl 0.50069939615347 0.63463806739243 0.30862920490397 35.453 > 28 29 Cl 0.87671164168866 0.50189066518315 0.12323883497492 35.453 > 29 30 Cl 0.12328835831134 0.49810933481685 0.87676116502507 35.453 > 30 31 Cl 0.13326621241782 0.67573167929330 0.15661859713523 35.453 > 31 32 Cl 0.09356143363484 0.22030541072211 0.09865919932791 35.453 > 32 33 Cl 0.35106503500633 0.79267298449208 0.00743108502853 35.453 > 33 34 Cl 0.65250390139381 0.79135498473549 0.10637734646607 35.453 > 34 35 Cl 0.90643856636516 0.72030541072211 0.40134080067209 35.453 > 35 36 Cl 0.64893496499367 0.29267298449208 0.49256891497147 35.453 > 36 37 Cl 0.86673378758218 0.32426832070670 0.84338140286477 35.453 > 37 38 Cl 0.90643856636516 0.77969458927789 0.90134080067209 35.453 > 38 39 Cl 0.49930060384653 0.36536193260757 0.69137079509603 35.453 > 39 40 Cl 0.34749609860619 0.29135498473549 0.39362265353393 35.453 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 15.332324040000003 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): *1 K 0.68185988632126 0.46333716002716 0.38374461321798 39.098 > 1 2 K 0.68185988632126 0.96333716002716 0.38374461321798 39.098 > 1 *3 K 0.09067659100498 0.03330178555427 0.85120138176535 39.098 > 2 4 K 0.09067659100498 0.53330178555427 0.85120138176535 39.098 > 2 *5 K 0.31925101892837 0.28582923161981 0.76721249369613 39.098 > 3 6 K 0.31925101892837 0.78582923161981 0.76721249369613 39.098 > 3 7 K 0.90932340899502 0.46669821444573 0.14879861823465 39.098 > 4 8 K 0.90932340899502 0.96669821444573 0.14879861823465 39.098 > 4 9 K 0.68185988632126 0.28666283997284 0.88374461321798 39.098 > 5 10 K 0.68185988632126 0.78666283997284 0.88374461321798 39.098 > 5 11 K 0.68074898107163 0.21417076838019 0.23278750630387 39.098 > 6 12 K 0.68074898107163 0.71417076838019 0.23278750630387 39.098 > 6 13 K 0.90932340899502 0.28330178555427 0.64879861823465 39.098 > 7 14 K 0.90932340899502 0.78330178555427 0.64879861823465 39.098 > 7 15 K 0.31814011367874 0.21333716002716 0.11625538678202 39.098 > 8 16 K 0.31814011367874 0.71333716002716 0.11625538678202 39.098 > 8 17 K 0.31925101892837 0.46417076838019 0.26721249369613 39.098 > 9 18 K 0.31925101892837 0.96417076838019 0.26721249369613 39.098 > 9 19 K 0.09067659100498 0.21669821444573 0.35120138176535 39.098 > 10 20 K 0.09067659100498 0.71669821444573 0.35120138176535 39.098 > 10 21 K 0.31814011367874 0.03666283997284 0.61625538678202 39.098 > 11 22 K 0.31814011367874 0.53666283997284 0.61625538678202 39.098 > 11 23 K 0.68074898107163 0.03582923161981 0.73278750630387 39.098 > 12 24 K 0.68074898107163 0.53582923161981 0.73278750630387 39.098 > 12 *25 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 13 26 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 13 *27 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 14 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 14 29 In 0.50000000000000 0.25000000000000 0.50000000000000 114.818 > 15 30 In 0.50000000000000 0.75000000000000 0.50000000000000 114.818 > 15 31 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 16 32 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 16 *33 Cl 0.35106503500633 0.35366350775396 0.50743108502853 35.453 > 17 34 Cl 0.35106503500633 0.85366350775396 0.50743108502853 35.453 > 17 *35 Cl 0.87671164168866 0.49905466740843 0.62323883497493 35.453 > 18 36 Cl 0.87671164168866 0.99905466740843 0.62323883497493 35.453 > 18 *37 Cl 0.09356143363484 0.13984729463895 0.59865919932791 35.453 > 19 38 Cl 0.09356143363484 0.63984729463895 0.59865919932791 35.453 > 19 *39 Cl 0.50069939615347 0.43268096630378 0.80862920490397 35.453 > 20 40 Cl 0.50069939615347 0.93268096630378 0.80862920490397 35.453 > 20 *41 Cl 0.65250390139381 0.35432250763225 0.60637734646607 35.453 > 21 42 Cl 0.65250390139381 0.85432250763225 0.60637734646607 35.453 > 21 43 Cl 0.34749609860619 0.10432250763225 0.89362265353393 35.453 > 22 44 Cl 0.34749609860619 0.60432250763225 0.89362265353393 35.453 > 22 *45 Cl 0.86673378758218 0.08786583964665 0.34338140286476 35.453 > 23 46 Cl 0.86673378758218 0.58786583964665 0.34338140286476 35.453 > 23 47 Cl 0.12328835831134 0.00094533259157 0.37676116502508 35.453 > 24 48 Cl 0.12328835831134 0.50094533259157 0.37676116502508 35.453 > 24 49 Cl 0.64893496499367 0.10366350775396 0.99256891497147 35.453 > 25 50 Cl 0.64893496499367 0.60366350775396 0.99256891497147 35.453 > 25 51 Cl 0.13326621241782 0.41213416035335 0.65661859713523 35.453 > 26 52 Cl 0.13326621241782 0.91213416035335 0.65661859713523 35.453 > 26 53 Cl 0.49930060384653 0.06731903369622 0.19137079509603 35.453 > 27 54 Cl 0.49930060384653 0.56731903369622 0.19137079509603 35.453 > 27 55 Cl 0.50069939615347 0.31731903369622 0.30862920490397 35.453 > 28 56 Cl 0.50069939615347 0.81731903369622 0.30862920490397 35.453 > 28 57 Cl 0.87671164168866 0.25094533259157 0.12323883497492 35.453 > 29 58 Cl 0.87671164168866 0.75094533259157 0.12323883497492 35.453 > 29 59 Cl 0.12328835831134 0.24905466740843 0.87676116502507 35.453 > 30 60 Cl 0.12328835831134 0.74905466740843 0.87676116502507 35.453 > 30 61 Cl 0.13326621241782 0.33786583964665 0.15661859713523 35.453 > 31 62 Cl 0.13326621241782 0.83786583964665 0.15661859713523 35.453 > 31 63 Cl 0.09356143363484 0.11015270536105 0.09865919932791 35.453 > 32 64 Cl 0.09356143363484 0.61015270536105 0.09865919932791 35.453 > 32 65 Cl 0.35106503500633 0.39633649224604 0.00743108502853 35.453 > 33 66 Cl 0.35106503500633 0.89633649224604 0.00743108502853 35.453 > 33 67 Cl 0.65250390139381 0.39567749236775 0.10637734646607 35.453 > 34 68 Cl 0.65250390139381 0.89567749236775 0.10637734646607 35.453 > 34 69 Cl 0.90643856636516 0.36015270536105 0.40134080067209 35.453 > 35 70 Cl 0.90643856636516 0.86015270536105 0.40134080067209 35.453 > 35 71 Cl 0.64893496499367 0.14633649224604 0.49256891497147 35.453 > 36 72 Cl 0.64893496499367 0.64633649224604 0.49256891497147 35.453 > 36 73 Cl 0.86673378758218 0.16213416035335 0.84338140286477 35.453 > 37 74 Cl 0.86673378758218 0.66213416035335 0.84338140286477 35.453 > 37 75 Cl 0.90643856636516 0.38984729463895 0.90134080067209 35.453 > 38 76 Cl 0.90643856636516 0.88984729463895 0.90134080067209 35.453 > 38 77 Cl 0.49930060384653 0.18268096630378 0.69137079509603 35.453 > 39 78 Cl 0.49930060384653 0.68268096630378 0.69137079509603 35.453 > 39 79 Cl 0.34749609860619 0.14567749236775 0.39362265353393 35.453 > 40 80 Cl 0.34749609860619 0.64567749236775 0.39362265353393 35.453 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7995189 0.0000000 -0.0026489 0.0000000 2.7582154 0.0000000 -0.0026491 0.0000000 2.7905776 -------------------------- Born effective charges -------------------------- 1 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 2 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 3 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 4 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 5 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 6 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 7 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 8 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 9 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 10 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 11 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 12 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 13 In 2.9819934 0.0394852 -0.0475431 0.0836053 2.8514090 -0.0744473 0.0259903 0.0191512 3.0406394 14 In 3.1202465 -0.0399081 0.0640864 -0.0242635 2.9928338 -0.0148948 0.0230178 -0.0581253 3.0714142 15 In 3.1202465 0.0399081 0.0640864 0.0242635 2.9928338 0.0148948 0.0230178 0.0581253 3.0714142 16 In 2.9819934 -0.0394852 -0.0475431 -0.0836053 2.8514090 0.0744473 0.0259903 -0.0191512 3.0406394 17 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 18 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 19 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 20 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 21 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 22 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 23 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 24 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 25 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 26 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 27 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 28 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 29 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 30 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 31 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 32 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 33 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 34 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 35 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 36 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 37 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 38 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 39 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 40 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3708 Number of blocks in projector: 3708 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 804 / 804 (1) 283 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 804 / 804 (1) 283 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 289 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 432 Use standard eigh solver. Tree of FC basis block matrices: - (3708, 3610), data: False |-- (432, 421), data: True |-- (432, 421), data: True |-- (432, 421), data: True |-- (804, 783), data: False |-- (804, 15), data: (804, 36) @ (36, 15) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (804, 782), data: False |-- (804, 21), data: (804, 43) @ (43, 21) |-- (304, 283), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (804, 782), data: False |-- (804, 21), data: (804, 43) @ (43, 21) |-- (304, 283), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.741 Solver_block: 200 / 1200 - Time: 0.633 Solver_block: 300 / 1200 - Time: 0.633 Solver_block: 400 / 1200 - Time: 0.640 Solver_block: 500 / 1200 - Time: 0.629 Solver_block: 600 / 1200 - Time: 0.629 Solver_block: 700 / 1200 - Time: 0.635 Solver_block: 800 / 1200 - Time: 0.629 Solver_block: 900 / 1200 - Time: 0.632 Solver_block: 1000 / 1200 - Time: 0.633 Solver_block: 1100 / 1200 - Time: 0.637 Solver_block: 1200 / 1200 - Time: 0.637 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.884 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3708 Number of blocks in projector: 3708 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 804 / 804 (1) 283 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 804 / 804 (1) 283 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 289 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 432 Use standard eigh solver. Tree of FC basis block matrices: - (3708, 3610), data: False |-- (432, 421), data: True |-- (432, 421), data: True |-- (432, 421), data: True |-- (804, 783), data: False |-- (804, 15), data: (804, 36) @ (36, 15) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (804, 782), data: False |-- (804, 21), data: (804, 43) @ (43, 21) |-- (304, 283), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (804, 782), data: False |-- (804, 21), data: (804, 43) @ (43, 21) |-- (304, 283), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:29:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 7.666162020000002 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): 1 K 0.68185988632126 0.92667432005432 0.38374461321798 39.098 2 K 0.09067659100498 0.06660357110855 0.85120138176535 39.098 3 K 0.31925101892837 0.57165846323961 0.76721249369613 39.098 4 K 0.90932340899502 0.93339642889145 0.14879861823465 39.098 5 K 0.68185988632126 0.57332567994568 0.88374461321798 39.098 6 K 0.68074898107163 0.42834153676039 0.23278750630387 39.098 7 K 0.90932340899502 0.56660357110855 0.64879861823465 39.098 8 K 0.31814011367874 0.42667432005432 0.11625538678202 39.098 9 K 0.31925101892837 0.92834153676039 0.26721249369613 39.098 10 K 0.09067659100498 0.43339642889145 0.35120138176535 39.098 11 K 0.31814011367874 0.07332567994568 0.61625538678202 39.098 12 K 0.68074898107163 0.07165846323961 0.73278750630387 39.098 13 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 14 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 15 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 17 Cl 0.35106503500633 0.70732701550792 0.50743108502853 35.453 18 Cl 0.87671164168866 0.99810933481685 0.62323883497493 35.453 19 Cl 0.09356143363484 0.27969458927789 0.59865919932791 35.453 20 Cl 0.50069939615347 0.86536193260757 0.80862920490397 35.453 21 Cl 0.65250390139381 0.70864501526451 0.60637734646607 35.453 22 Cl 0.34749609860619 0.20864501526451 0.89362265353393 35.453 23 Cl 0.86673378758218 0.17573167929330 0.34338140286476 35.453 24 Cl 0.12328835831134 0.00189066518315 0.37676116502508 35.453 25 Cl 0.64893496499367 0.20732701550792 0.99256891497147 35.453 26 Cl 0.13326621241782 0.82426832070670 0.65661859713523 35.453 27 Cl 0.49930060384653 0.13463806739243 0.19137079509603 35.453 28 Cl 0.50069939615347 0.63463806739243 0.30862920490397 35.453 29 Cl 0.87671164168866 0.50189066518315 0.12323883497492 35.453 30 Cl 0.12328835831134 0.49810933481685 0.87676116502507 35.453 31 Cl 0.13326621241782 0.67573167929330 0.15661859713523 35.453 32 Cl 0.09356143363484 0.22030541072211 0.09865919932791 35.453 33 Cl 0.35106503500633 0.79267298449208 0.00743108502853 35.453 34 Cl 0.65250390139381 0.79135498473549 0.10637734646607 35.453 35 Cl 0.90643856636516 0.72030541072211 0.40134080067209 35.453 36 Cl 0.64893496499367 0.29267298449208 0.49256891497147 35.453 37 Cl 0.86673378758218 0.32426832070670 0.84338140286477 35.453 38 Cl 0.90643856636516 0.77969458927789 0.90134080067209 35.453 39 Cl 0.49930060384653 0.36536193260757 0.69137079509603 35.453 40 Cl 0.34749609860619 0.29135498473549 0.39362265353393 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 15.332324040000003 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): 1 K 0.68185988632126 0.46333716002716 0.38374461321798 39.098 > 1 2 K 0.68185988632126 0.96333716002716 0.38374461321798 39.098 > 1 3 K 0.09067659100498 0.03330178555427 0.85120138176535 39.098 > 3 4 K 0.09067659100498 0.53330178555427 0.85120138176535 39.098 > 3 5 K 0.31925101892837 0.28582923161981 0.76721249369613 39.098 > 5 6 K 0.31925101892837 0.78582923161981 0.76721249369613 39.098 > 5 7 K 0.90932340899502 0.46669821444573 0.14879861823465 39.098 > 7 8 K 0.90932340899502 0.96669821444573 0.14879861823465 39.098 > 7 9 K 0.68185988632126 0.28666283997284 0.88374461321798 39.098 > 9 10 K 0.68185988632126 0.78666283997284 0.88374461321798 39.098 > 9 11 K 0.68074898107163 0.21417076838019 0.23278750630387 39.098 > 11 12 K 0.68074898107163 0.71417076838019 0.23278750630387 39.098 > 11 13 K 0.90932340899502 0.28330178555427 0.64879861823465 39.098 > 13 14 K 0.90932340899502 0.78330178555427 0.64879861823465 39.098 > 13 15 K 0.31814011367874 0.21333716002716 0.11625538678202 39.098 > 15 16 K 0.31814011367874 0.71333716002716 0.11625538678202 39.098 > 15 17 K 0.31925101892837 0.46417076838019 0.26721249369613 39.098 > 17 18 K 0.31925101892837 0.96417076838019 0.26721249369613 39.098 > 17 19 K 0.09067659100498 0.21669821444573 0.35120138176535 39.098 > 19 20 K 0.09067659100498 0.71669821444573 0.35120138176535 39.098 > 19 21 K 0.31814011367874 0.03666283997284 0.61625538678202 39.098 > 21 22 K 0.31814011367874 0.53666283997284 0.61625538678202 39.098 > 21 23 K 0.68074898107163 0.03582923161981 0.73278750630387 39.098 > 23 24 K 0.68074898107163 0.53582923161981 0.73278750630387 39.098 > 23 25 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 25 26 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 25 27 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 27 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 27 29 In 0.50000000000000 0.25000000000000 0.50000000000000 114.818 > 29 30 In 0.50000000000000 0.75000000000000 0.50000000000000 114.818 > 29 31 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 31 32 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 31 33 Cl 0.35106503500633 0.35366350775396 0.50743108502853 35.453 > 33 34 Cl 0.35106503500633 0.85366350775396 0.50743108502853 35.453 > 33 35 Cl 0.87671164168866 0.49905466740843 0.62323883497493 35.453 > 35 36 Cl 0.87671164168866 0.99905466740843 0.62323883497493 35.453 > 35 37 Cl 0.09356143363484 0.13984729463895 0.59865919932791 35.453 > 37 38 Cl 0.09356143363484 0.63984729463895 0.59865919932791 35.453 > 37 39 Cl 0.50069939615347 0.43268096630378 0.80862920490397 35.453 > 39 40 Cl 0.50069939615347 0.93268096630378 0.80862920490397 35.453 > 39 41 Cl 0.65250390139381 0.35432250763225 0.60637734646607 35.453 > 41 42 Cl 0.65250390139381 0.85432250763225 0.60637734646607 35.453 > 41 43 Cl 0.34749609860619 0.10432250763225 0.89362265353393 35.453 > 43 44 Cl 0.34749609860619 0.60432250763225 0.89362265353393 35.453 > 43 45 Cl 0.86673378758218 0.08786583964665 0.34338140286476 35.453 > 45 46 Cl 0.86673378758218 0.58786583964665 0.34338140286476 35.453 > 45 47 Cl 0.12328835831134 0.00094533259157 0.37676116502508 35.453 > 47 48 Cl 0.12328835831134 0.50094533259157 0.37676116502508 35.453 > 47 49 Cl 0.64893496499367 0.10366350775396 0.99256891497147 35.453 > 49 50 Cl 0.64893496499367 0.60366350775396 0.99256891497147 35.453 > 49 51 Cl 0.13326621241782 0.41213416035335 0.65661859713523 35.453 > 51 52 Cl 0.13326621241782 0.91213416035335 0.65661859713523 35.453 > 51 53 Cl 0.49930060384653 0.06731903369622 0.19137079509603 35.453 > 53 54 Cl 0.49930060384653 0.56731903369622 0.19137079509603 35.453 > 53 55 Cl 0.50069939615347 0.31731903369622 0.30862920490397 35.453 > 55 56 Cl 0.50069939615347 0.81731903369622 0.30862920490397 35.453 > 55 57 Cl 0.87671164168866 0.25094533259157 0.12323883497492 35.453 > 57 58 Cl 0.87671164168866 0.75094533259157 0.12323883497492 35.453 > 57 59 Cl 0.12328835831134 0.24905466740843 0.87676116502507 35.453 > 59 60 Cl 0.12328835831134 0.74905466740843 0.87676116502507 35.453 > 59 61 Cl 0.13326621241782 0.33786583964665 0.15661859713523 35.453 > 61 62 Cl 0.13326621241782 0.83786583964665 0.15661859713523 35.453 > 61 63 Cl 0.09356143363484 0.11015270536105 0.09865919932791 35.453 > 63 64 Cl 0.09356143363484 0.61015270536105 0.09865919932791 35.453 > 63 65 Cl 0.35106503500633 0.39633649224604 0.00743108502853 35.453 > 65 66 Cl 0.35106503500633 0.89633649224604 0.00743108502853 35.453 > 65 67 Cl 0.65250390139381 0.39567749236775 0.10637734646607 35.453 > 67 68 Cl 0.65250390139381 0.89567749236775 0.10637734646607 35.453 > 67 69 Cl 0.90643856636516 0.36015270536105 0.40134080067209 35.453 > 69 70 Cl 0.90643856636516 0.86015270536105 0.40134080067209 35.453 > 69 71 Cl 0.64893496499367 0.14633649224604 0.49256891497147 35.453 > 71 72 Cl 0.64893496499367 0.64633649224604 0.49256891497147 35.453 > 71 73 Cl 0.86673378758218 0.16213416035335 0.84338140286477 35.453 > 73 74 Cl 0.86673378758218 0.66213416035335 0.84338140286477 35.453 > 73 75 Cl 0.90643856636516 0.38984729463895 0.90134080067209 35.453 > 75 76 Cl 0.90643856636516 0.88984729463895 0.90134080067209 35.453 > 75 77 Cl 0.49930060384653 0.18268096630378 0.69137079509603 35.453 > 77 78 Cl 0.49930060384653 0.68268096630378 0.69137079509603 35.453 > 77 79 Cl 0.34749609860619 0.14567749236775 0.39362265353393 35.453 > 79 80 Cl 0.34749609860619 0.64567749236775 0.39362265353393 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7995189 0.0000000 -0.0026489 0.0000000 2.7582154 0.0000000 -0.0026491 0.0000000 2.7905776 -------------------------- Born effective charges -------------------------- 1 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 2 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 3 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 4 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 5 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 6 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 7 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 8 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 9 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 10 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 11 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 12 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 13 In 2.9819934 0.0394852 -0.0475431 0.0836053 2.8514090 -0.0744473 0.0259903 0.0191512 3.0406394 14 In 3.1202465 -0.0399081 0.0640864 -0.0242635 2.9928338 -0.0148948 0.0230178 -0.0581253 3.0714142 15 In 3.1202465 0.0399081 0.0640864 0.0242635 2.9928338 0.0148948 0.0230178 0.0581253 3.0714142 16 In 2.9819934 -0.0394852 -0.0475431 -0.0836053 2.8514090 0.0744473 0.0259903 -0.0191512 3.0406394 17 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 18 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 19 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 20 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 21 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 22 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 23 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 24 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 25 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 26 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 27 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 28 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 29 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 30 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 31 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 32 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 33 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 34 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 35 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 36 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 37 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 38 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 39 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 40 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 18:30:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 7.666162020000002 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): 1 K 0.68185988632126 0.92667432005432 0.38374461321798 39.098 2 K 0.09067659100498 0.06660357110855 0.85120138176535 39.098 3 K 0.31925101892837 0.57165846323961 0.76721249369613 39.098 4 K 0.90932340899502 0.93339642889145 0.14879861823465 39.098 5 K 0.68185988632126 0.57332567994568 0.88374461321798 39.098 6 K 0.68074898107163 0.42834153676039 0.23278750630387 39.098 7 K 0.90932340899502 0.56660357110855 0.64879861823465 39.098 8 K 0.31814011367874 0.42667432005432 0.11625538678202 39.098 9 K 0.31925101892837 0.92834153676039 0.26721249369613 39.098 10 K 0.09067659100498 0.43339642889145 0.35120138176535 39.098 11 K 0.31814011367874 0.07332567994568 0.61625538678202 39.098 12 K 0.68074898107163 0.07165846323961 0.73278750630387 39.098 13 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 14 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 15 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 17 Cl 0.35106503500633 0.70732701550792 0.50743108502853 35.453 18 Cl 0.87671164168866 0.99810933481685 0.62323883497493 35.453 19 Cl 0.09356143363484 0.27969458927789 0.59865919932791 35.453 20 Cl 0.50069939615347 0.86536193260757 0.80862920490397 35.453 21 Cl 0.65250390139381 0.70864501526451 0.60637734646607 35.453 22 Cl 0.34749609860619 0.20864501526451 0.89362265353393 35.453 23 Cl 0.86673378758218 0.17573167929330 0.34338140286476 35.453 24 Cl 0.12328835831134 0.00189066518315 0.37676116502508 35.453 25 Cl 0.64893496499367 0.20732701550792 0.99256891497147 35.453 26 Cl 0.13326621241782 0.82426832070670 0.65661859713523 35.453 27 Cl 0.49930060384653 0.13463806739243 0.19137079509603 35.453 28 Cl 0.50069939615347 0.63463806739243 0.30862920490397 35.453 29 Cl 0.87671164168866 0.50189066518315 0.12323883497492 35.453 30 Cl 0.12328835831134 0.49810933481685 0.87676116502507 35.453 31 Cl 0.13326621241782 0.67573167929330 0.15661859713523 35.453 32 Cl 0.09356143363484 0.22030541072211 0.09865919932791 35.453 33 Cl 0.35106503500633 0.79267298449208 0.00743108502853 35.453 34 Cl 0.65250390139381 0.79135498473549 0.10637734646607 35.453 35 Cl 0.90643856636516 0.72030541072211 0.40134080067209 35.453 36 Cl 0.64893496499367 0.29267298449208 0.49256891497147 35.453 37 Cl 0.86673378758218 0.32426832070670 0.84338140286477 35.453 38 Cl 0.90643856636516 0.77969458927789 0.90134080067209 35.453 39 Cl 0.49930060384653 0.36536193260757 0.69137079509603 35.453 40 Cl 0.34749609860619 0.29135498473549 0.39362265353393 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.806852482284730 0.000000000000000 0.000000000000000 b 0.000000000000000 15.332324040000003 0.000000000000000 c -3.758658699058550 0.000000000000000 11.530540759761367 Atomic positions (fractional): 1 K 0.68185988632126 0.46333716002716 0.38374461321798 39.098 > 1 2 K 0.68185988632126 0.96333716002716 0.38374461321798 39.098 > 1 3 K 0.09067659100498 0.03330178555427 0.85120138176535 39.098 > 3 4 K 0.09067659100498 0.53330178555427 0.85120138176535 39.098 > 3 5 K 0.31925101892837 0.28582923161981 0.76721249369613 39.098 > 5 6 K 0.31925101892837 0.78582923161981 0.76721249369613 39.098 > 5 7 K 0.90932340899502 0.46669821444573 0.14879861823465 39.098 > 7 8 K 0.90932340899502 0.96669821444573 0.14879861823465 39.098 > 7 9 K 0.68185988632126 0.28666283997284 0.88374461321798 39.098 > 9 10 K 0.68185988632126 0.78666283997284 0.88374461321798 39.098 > 9 11 K 0.68074898107163 0.21417076838019 0.23278750630387 39.098 > 11 12 K 0.68074898107163 0.71417076838019 0.23278750630387 39.098 > 11 13 K 0.90932340899502 0.28330178555427 0.64879861823465 39.098 > 13 14 K 0.90932340899502 0.78330178555427 0.64879861823465 39.098 > 13 15 K 0.31814011367874 0.21333716002716 0.11625538678202 39.098 > 15 16 K 0.31814011367874 0.71333716002716 0.11625538678202 39.098 > 15 17 K 0.31925101892837 0.46417076838019 0.26721249369613 39.098 > 17 18 K 0.31925101892837 0.96417076838019 0.26721249369613 39.098 > 17 19 K 0.09067659100498 0.21669821444573 0.35120138176535 39.098 > 19 20 K 0.09067659100498 0.71669821444573 0.35120138176535 39.098 > 19 21 K 0.31814011367874 0.03666283997284 0.61625538678202 39.098 > 21 22 K 0.31814011367874 0.53666283997284 0.61625538678202 39.098 > 21 23 K 0.68074898107163 0.03582923161981 0.73278750630387 39.098 > 23 24 K 0.68074898107163 0.53582923161981 0.73278750630387 39.098 > 23 25 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 25 26 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 25 27 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 27 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 27 29 In 0.50000000000000 0.25000000000000 0.50000000000000 114.818 > 29 30 In 0.50000000000000 0.75000000000000 0.50000000000000 114.818 > 29 31 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 31 32 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 31 33 Cl 0.35106503500633 0.35366350775396 0.50743108502853 35.453 > 33 34 Cl 0.35106503500633 0.85366350775396 0.50743108502853 35.453 > 33 35 Cl 0.87671164168866 0.49905466740843 0.62323883497493 35.453 > 35 36 Cl 0.87671164168866 0.99905466740843 0.62323883497493 35.453 > 35 37 Cl 0.09356143363484 0.13984729463895 0.59865919932791 35.453 > 37 38 Cl 0.09356143363484 0.63984729463895 0.59865919932791 35.453 > 37 39 Cl 0.50069939615347 0.43268096630378 0.80862920490397 35.453 > 39 40 Cl 0.50069939615347 0.93268096630378 0.80862920490397 35.453 > 39 41 Cl 0.65250390139381 0.35432250763225 0.60637734646607 35.453 > 41 42 Cl 0.65250390139381 0.85432250763225 0.60637734646607 35.453 > 41 43 Cl 0.34749609860619 0.10432250763225 0.89362265353393 35.453 > 43 44 Cl 0.34749609860619 0.60432250763225 0.89362265353393 35.453 > 43 45 Cl 0.86673378758218 0.08786583964665 0.34338140286476 35.453 > 45 46 Cl 0.86673378758218 0.58786583964665 0.34338140286476 35.453 > 45 47 Cl 0.12328835831134 0.00094533259157 0.37676116502508 35.453 > 47 48 Cl 0.12328835831134 0.50094533259157 0.37676116502508 35.453 > 47 49 Cl 0.64893496499367 0.10366350775396 0.99256891497147 35.453 > 49 50 Cl 0.64893496499367 0.60366350775396 0.99256891497147 35.453 > 49 51 Cl 0.13326621241782 0.41213416035335 0.65661859713523 35.453 > 51 52 Cl 0.13326621241782 0.91213416035335 0.65661859713523 35.453 > 51 53 Cl 0.49930060384653 0.06731903369622 0.19137079509603 35.453 > 53 54 Cl 0.49930060384653 0.56731903369622 0.19137079509603 35.453 > 53 55 Cl 0.50069939615347 0.31731903369622 0.30862920490397 35.453 > 55 56 Cl 0.50069939615347 0.81731903369622 0.30862920490397 35.453 > 55 57 Cl 0.87671164168866 0.25094533259157 0.12323883497492 35.453 > 57 58 Cl 0.87671164168866 0.75094533259157 0.12323883497492 35.453 > 57 59 Cl 0.12328835831134 0.24905466740843 0.87676116502507 35.453 > 59 60 Cl 0.12328835831134 0.74905466740843 0.87676116502507 35.453 > 59 61 Cl 0.13326621241782 0.33786583964665 0.15661859713523 35.453 > 61 62 Cl 0.13326621241782 0.83786583964665 0.15661859713523 35.453 > 61 63 Cl 0.09356143363484 0.11015270536105 0.09865919932791 35.453 > 63 64 Cl 0.09356143363484 0.61015270536105 0.09865919932791 35.453 > 63 65 Cl 0.35106503500633 0.39633649224604 0.00743108502853 35.453 > 65 66 Cl 0.35106503500633 0.89633649224604 0.00743108502853 35.453 > 65 67 Cl 0.65250390139381 0.39567749236775 0.10637734646607 35.453 > 67 68 Cl 0.65250390139381 0.89567749236775 0.10637734646607 35.453 > 67 69 Cl 0.90643856636516 0.36015270536105 0.40134080067209 35.453 > 69 70 Cl 0.90643856636516 0.86015270536105 0.40134080067209 35.453 > 69 71 Cl 0.64893496499367 0.14633649224604 0.49256891497147 35.453 > 71 72 Cl 0.64893496499367 0.64633649224604 0.49256891497147 35.453 > 71 73 Cl 0.86673378758218 0.16213416035335 0.84338140286477 35.453 > 73 74 Cl 0.86673378758218 0.66213416035335 0.84338140286477 35.453 > 73 75 Cl 0.90643856636516 0.38984729463895 0.90134080067209 35.453 > 75 76 Cl 0.90643856636516 0.88984729463895 0.90134080067209 35.453 > 75 77 Cl 0.49930060384653 0.18268096630378 0.69137079509603 35.453 > 77 78 Cl 0.49930060384653 0.68268096630378 0.69137079509603 35.453 > 77 79 Cl 0.34749609860619 0.14567749236775 0.39362265353393 35.453 > 79 80 Cl 0.34749609860619 0.64567749236775 0.39362265353393 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7995189 0.0000000 -0.0026489 0.0000000 2.7582154 0.0000000 -0.0026491 0.0000000 2.7905776 -------------------------- Born effective charges -------------------------- 1 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 2 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 3 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 4 K 1.1894979 -0.0199155 -0.0219904 -0.0008820 1.2264088 0.1265447 -0.0334760 0.1196856 1.2583785 5 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 6 K 1.3181537 -0.0208834 -0.0655532 0.0290590 1.3089649 0.0214762 -0.0781355 -0.0194307 1.1919550 7 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 8 K 1.2336273 -0.0561275 0.0721504 -0.1007414 1.1554265 -0.0114067 0.1009509 0.0269372 1.2007269 9 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 10 K 1.1894979 0.0199155 -0.0219904 0.0008820 1.2264088 -0.1265447 -0.0334760 -0.1196856 1.2583785 11 K 1.2336273 0.0561275 0.0721504 0.1007414 1.1554265 0.0114067 0.1009509 -0.0269372 1.2007269 12 K 1.3181537 0.0208834 -0.0655532 -0.0290590 1.3089649 -0.0214762 -0.0781355 0.0194307 1.1919550 13 In 2.9819934 0.0394852 -0.0475431 0.0836053 2.8514090 -0.0744473 0.0259903 0.0191512 3.0406394 14 In 3.1202465 -0.0399081 0.0640864 -0.0242635 2.9928338 -0.0148948 0.0230178 -0.0581253 3.0714142 15 In 3.1202465 0.0399081 0.0640864 0.0242635 2.9928338 0.0148948 0.0230178 0.0581253 3.0714142 16 In 2.9819934 -0.0394852 -0.0475431 -0.0836053 2.8514090 0.0744473 0.0259903 -0.0191512 3.0406394 17 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 18 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 19 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 20 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 21 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 22 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 23 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 24 Cl -1.4401420 0.0006080 0.3162522 -0.0040925 -0.7808055 -0.0056458 0.3294121 -0.0393011 -1.1179365 25 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 26 Cl -1.0910692 0.1783049 -0.2539352 0.2140071 -1.0760304 0.3144469 -0.2823699 0.3095995 -1.1783555 27 Cl -0.9697065 0.0668502 0.1376966 0.0743863 -1.0045492 -0.1992267 0.1430228 -0.1897415 -1.3336427 28 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 29 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 30 Cl -1.4401420 -0.0006080 0.3162522 0.0040925 -0.7808055 0.0056458 0.3294121 0.0393011 -1.1179365 31 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 32 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 33 Cl -1.1931102 -0.3968129 0.0824852 -0.3650831 -1.1976458 0.0376276 0.0748706 0.0344789 -0.9275166 34 Cl -1.1280494 0.3279732 -0.2107044 0.3020224 -1.1780441 0.2360515 -0.1832032 0.2438808 -1.1129860 35 Cl -0.9703215 -0.1698686 -0.0646730 -0.1833345 -1.3758467 -0.2341890 -0.0955758 -0.2789811 -1.0366499 36 Cl -1.1931102 0.3968129 0.0824852 0.3650831 -1.1976458 -0.0376276 0.0748706 -0.0344789 -0.9275166 37 Cl -1.0910692 -0.1783049 -0.2539352 -0.2140071 -1.0760304 -0.3144469 -0.2823699 -0.3095995 -1.1783555 38 Cl -0.9703215 0.1698686 -0.0646730 0.1833345 -1.3758467 0.2341890 -0.0955758 0.2789811 -1.0366499 39 Cl -0.9697065 -0.0668502 0.1376966 -0.0743863 -1.0045492 0.1992267 0.1430228 0.1897415 -1.3336427 40 Cl -1.1280494 -0.3279732 -0.2107044 -0.3020224 -1.1780441 -0.2360515 -0.1832032 -0.2438808 -1.1129860 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 7 4 ] 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: 0.40, Number of G-points: 291, Lambda: 0.07 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: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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 1.024 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 13.929 0.000 3.046) 14.258 0.370 ( 15.890 0.000 8.009) 17.794 0.616 ( 23.843 0.000 5.518) 24.473 0.933 ( -9.130 0.000 -2.778) 9.543 0.996 ( -7.990 0.000 -5.293) 9.584 1.067 ( -4.667 0.000 1.800) 5.002 1.093 ( -0.906 0.000 3.521) 3.635 1.224 ( 6.086 0.000 -2.631) 6.631 1.248 ( 0.507 0.000 -1.732) 1.805 1.336 ( -2.450 0.000 0.570) 2.516 1.388 ( 1.049 0.000 -4.694) 4.810 1.406 ( -2.670 0.000 5.510) 6.123 1.457 ( -2.938 0.000 4.997) 5.797 1.458 ( 2.297 0.000 -3.778) 4.422 1.537 ( 0.721 0.000 2.993) 3.079 1.566 ( -1.729 0.000 -2.683) 3.192 1.689 ( -0.791 0.000 1.173) 1.415 1.737 ( -1.161 0.000 -1.021) 1.546 1.751 ( 4.153 0.000 -2.907) 5.069 1.760 ( -2.946 0.000 -0.490) 2.987 1.826 ( -2.825 0.000 4.977) 5.723 1.836 ( 0.535 0.000 -1.849) 1.925 1.930 ( -0.163 0.000 1.064) 1.076 1.933 ( -4.101 0.000 -2.735) 4.929 1.988 ( 4.734 0.000 -1.666) 5.019 2.026 ( -1.585 0.000 1.148) 1.958 2.098 ( 2.993 0.000 3.471) 4.583 2.112 ( 0.871 0.000 0.631) 1.076 2.189 ( -2.410 0.000 -0.455) 2.452 2.192 ( -2.445 0.000 1.773) 3.020 2.220 ( 1.727 0.000 -1.973) 2.622 2.270 ( 2.400 0.000 5.935) 6.402 2.325 ( -0.931 0.000 1.635) 1.881 2.342 ( -1.127 0.000 -3.406) 3.588 2.401 ( -2.011 0.000 1.614) 2.579 2.408 ( 2.918 0.000 -0.459) 2.954 2.486 ( 2.519 0.000 -5.105) 5.692 2.538 ( 1.177 0.000 -0.779) 1.412 2.575 ( -1.749 0.000 -0.192) 1.760 2.730 ( -2.382 0.000 -1.584) 2.861 2.753 ( -1.659 0.000 1.611) 2.313 2.760 ( 3.037 0.000 -0.619) 3.099 2.791 ( 0.069 0.000 1.643) 1.644 2.843 ( 1.543 0.000 0.034) 1.543 2.874 ( -3.773 0.000 0.915) 3.882 2.887 ( -1.392 0.000 -2.112) 2.529 2.971 ( 1.162 0.000 -0.695) 1.354 2.988 ( 1.557 0.000 -1.049) 1.877 2.999 ( -1.245 0.000 1.294) 1.796 3.037 ( -2.312 0.000 2.160) 3.164 3.060 ( 0.682 0.000 -5.137) 5.182 3.117 ( 0.409 0.000 -2.185) 2.223 3.129 ( -0.923 0.000 0.741) 1.184 3.140 ( -2.493 0.000 1.800) 3.075 3.182 ( -3.956 0.000 1.600) 4.267 3.216 ( -0.707 0.000 1.819) 1.951 3.237 ( 2.516 0.000 3.071) 3.970 3.284 ( -0.163 0.000 0.633) 0.654 3.376 ( 1.436 0.000 -3.151) 3.463 3.391 ( -0.725 0.000 0.559) 0.915 3.418 ( -2.750 0.000 0.230) 2.760 3.432 ( -0.369 0.000 -1.182) 1.238 3.497 ( -2.002 0.000 -1.264) 2.367 3.541 ( -0.245 0.000 0.593) 0.641 3.578 ( -4.851 0.000 2.445) 5.432 3.595 ( -2.105 0.000 -1.883) 2.824 3.629 ( -0.426 0.000 1.474) 1.534 3.762 ( 2.256 0.000 -1.749) 2.854 3.836 ( -0.174 0.000 1.753) 1.762 3.849 ( 6.537 0.000 2.069) 6.857 3.864 ( 4.861 0.000 -1.712) 5.154 3.914 ( 1.126 0.000 -0.804) 1.384 3.958 ( 1.455 0.000 -1.091) 1.819 4.002 ( -0.645 0.000 0.567) 0.859 4.070 ( 4.138 0.000 0.898) 4.235 4.076 ( 2.696 0.000 0.760) 2.801 4.133 ( 0.870 0.000 2.014) 2.194 4.181 ( 4.713 0.000 -2.256) 5.225 4.250 ( 1.834 0.000 -2.676) 3.244 4.255 ( -2.008 0.000 0.354) 2.039 4.286 ( 0.625 0.000 -2.436) 2.515 4.304 ( 0.922 0.000 1.792) 2.016 4.307 ( 0.110 0.000 -0.061) 0.126 4.470 ( -3.435 0.000 2.906) 4.499 4.484 ( -2.874 0.000 -3.367) 4.427 4.495 ( 0.203 0.000 -1.796) 1.807 4.626 ( 2.345 0.000 0.718) 2.452 4.714 ( 0.132 0.000 -0.967) 0.976 4.737 ( -2.199 0.000 -4.497) 5.006 4.742 ( -1.639 0.000 4.325) 4.625 4.789 ( -4.177 0.000 2.002) 4.632 4.855 ( -2.068 0.000 0.578) 2.147 4.911 ( -1.167 0.000 -0.011) 1.167 4.983 ( 3.193 0.000 2.407) 3.999 5.024 ( 3.085 0.000 -1.626) 3.487 5.357 ( -4.825 0.000 0.567) 4.858 5.523 ( 2.491 0.000 -0.201) 2.499 5.567 ( 2.471 0.000 2.315) 3.386 5.671 ( 3.205 0.000 1.997) 3.776 5.811 ( -0.688 0.000 -2.512) 2.604 5.818 ( -0.036 0.000 -0.391) 0.393 6.024 ( -0.740 0.000 0.309) 0.801 6.111 ( -4.058 0.000 -1.869) 4.467 6.618 ( -5.385 0.000 -3.904) 6.651 6.685 ( -0.566 0.000 2.562) 2.623 6.763 ( -0.445 0.000 3.587) 3.614 7.083 ( -1.092 0.000 4.560) 4.689 7.153 ( 2.096 0.000 -0.181) 2.104 7.330 ( 1.700 0.000 -2.783) 3.262 7.480 ( 4.022 0.000 0.201) 4.027 7.658 ( 1.516 0.000 -1.636) 2.231 7.860 ( 1.379 0.000 0.030) 1.379 7.872 ( -0.381 0.000 -0.315) 0.495 7.963 ( -1.577 0.000 1.384) 2.098 8.005 ( -0.388 0.000 3.122) 3.146 8.153 ( -0.039 0.000 0.201) 0.204 8.259 ( 0.211 0.000 0.092) 0.230 8.342 ( -0.958 0.000 1.367) 1.669 8.519 ( -2.389 0.000 -0.006) 2.389 8.627 ( 2.498 0.000 -8.159) 8.533 ======================= Grid point 2 (3/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 0.000) 0.000 0.686 ( -0.000 0.000 -0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.751 ( 0.000 0.000 0.000) 0.000 0.882 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.333 ( -0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 -0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 -0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 -0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.799 ( -0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 -0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 -0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.139 ( -0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 -0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 -0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 -0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 -0.000) 0.000 2.785 ( 0.000 0.000 -0.000) 0.000 2.813 ( 0.000 0.000 -0.000) 0.000 2.838 ( -0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 -0.000) 0.000 2.948 ( 0.000 0.000 -0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 -0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 -0.000) 0.000 3.386 ( 0.000 0.000 -0.000) 0.000 3.386 ( -0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 -0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 -0.000) 0.000 3.555 ( -0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 -0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 -0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.160 ( -0.000 0.000 -0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 -0.000) 0.000 4.283 ( -0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 -0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 -0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 -0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 -0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/40) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 15.034 0.000) 15.034 0.363 ( 0.000 19.270 0.000) 19.270 0.538 ( 0.000 24.428 0.000) 24.428 1.053 ( 0.000 2.561 0.000) 2.561 1.116 ( 0.000 2.768 0.000) 2.768 1.143 ( 0.000 5.229 0.000) 5.229 1.149 ( 0.000 1.132 0.000) 1.132 1.298 ( 0.000 -3.240 0.000) 3.240 1.301 ( 0.000 2.862 0.000) 2.862 1.320 ( 0.000 3.164 0.000) 3.164 1.420 ( 0.000 1.218 0.000) 1.218 1.423 ( 0.000 -1.101 0.000) 1.101 1.464 ( 0.000 0.108 0.000) 0.108 1.482 ( 0.000 4.333 0.000) 4.333 1.532 ( 0.000 4.774 0.000) 4.774 1.558 ( 0.000 -6.091 0.000) 6.091 1.635 ( 0.000 -1.558 0.000) 1.558 1.713 ( 0.000 -0.069 0.000) 0.069 1.750 ( 0.000 1.952 0.000) 1.952 1.779 ( 0.000 -3.459 0.000) 3.459 1.792 ( 0.000 0.411 0.000) 0.411 1.864 ( 0.000 -5.947 0.000) 5.947 1.869 ( 0.000 -1.000 0.000) 1.000 1.967 ( 0.000 1.259 0.000) 1.259 1.977 ( 0.000 -2.696 0.000) 2.696 2.013 ( 0.000 -0.002 0.000) 0.002 2.063 ( 0.000 -5.193 0.000) 5.193 2.097 ( 0.000 3.097 0.000) 3.097 2.139 ( 0.000 0.220 0.000) 0.220 2.163 ( 0.000 -3.960 0.000) 3.960 2.227 ( 0.000 0.479 0.000) 0.479 2.272 ( 0.000 0.148 0.000) 0.148 2.296 ( 0.000 -4.295 0.000) 4.295 2.344 ( 0.000 -0.174 0.000) 0.174 2.393 ( 0.000 3.895 0.000) 3.895 2.416 ( 0.000 -1.304 0.000) 1.304 2.456 ( 0.000 -0.691 0.000) 0.691 2.588 ( 0.000 3.050 0.000) 3.050 2.610 ( 0.000 -2.311 0.000) 2.311 2.667 ( 0.000 -1.319 0.000) 1.319 2.721 ( 0.000 -5.901 0.000) 5.901 2.759 ( 0.000 -4.351 0.000) 4.351 2.777 ( 0.000 -1.220 0.000) 1.220 2.830 ( 0.000 1.062 0.000) 1.062 2.837 ( 0.000 -2.112 0.000) 2.112 2.909 ( 0.000 -2.418 0.000) 2.418 2.948 ( 0.000 -0.903 0.000) 0.903 2.989 ( 0.000 -0.331 0.000) 0.331 3.023 ( 0.000 1.379 0.000) 1.379 3.038 ( 0.000 2.769 0.000) 2.769 3.052 ( 0.000 0.978 0.000) 0.978 3.114 ( 0.000 -2.055 0.000) 2.055 3.144 ( 0.000 -0.130 0.000) 0.130 3.166 ( 0.000 -1.113 0.000) 1.113 3.186 ( 0.000 -0.323 0.000) 0.323 3.223 ( 0.000 1.434 0.000) 1.434 3.243 ( 0.000 -0.051 0.000) 0.051 3.281 ( 0.000 1.006 0.000) 1.006 3.305 ( 0.000 -3.616 0.000) 3.616 3.421 ( 0.000 -1.058 0.000) 1.058 3.465 ( 0.000 1.824 0.000) 1.824 3.471 ( 0.000 3.262 0.000) 3.262 3.543 ( 0.000 0.141 0.000) 0.141 3.592 ( 0.000 -0.883 0.000) 0.883 3.605 ( 0.000 2.064 0.000) 2.064 3.643 ( 0.000 0.400 0.000) 0.400 3.658 ( 0.000 4.137 0.000) 4.137 3.699 ( 0.000 0.960 0.000) 0.960 3.787 ( 0.000 1.201 0.000) 1.201 3.794 ( 0.000 0.847 0.000) 0.847 3.887 ( 0.000 5.227 0.000) 5.227 3.953 ( 0.000 -1.037 0.000) 1.037 4.022 ( 0.000 -1.094 0.000) 1.094 4.026 ( 0.000 5.570 0.000) 5.570 4.043 ( 0.000 2.167 0.000) 2.167 4.069 ( 0.000 0.146 0.000) 0.146 4.116 ( 0.000 2.133 0.000) 2.133 4.159 ( 0.000 -0.160 0.000) 0.160 4.172 ( 0.000 -2.841 0.000) 2.841 4.258 ( 0.000 -0.265 0.000) 0.265 4.277 ( 0.000 -1.057 0.000) 1.057 4.301 ( 0.000 1.313 0.000) 1.313 4.398 ( 0.000 2.194 0.000) 2.194 4.477 ( 0.000 -0.688 0.000) 0.688 4.550 ( 0.000 -3.088 0.000) 3.088 4.551 ( 0.000 0.979 0.000) 0.979 4.571 ( 0.000 2.387 0.000) 2.387 4.639 ( 0.000 -3.275 0.000) 3.275 4.706 ( 0.000 -3.794 0.000) 3.794 4.835 ( 0.000 2.666 0.000) 2.666 4.853 ( 0.000 -0.401 0.000) 0.401 4.870 ( 0.000 -0.941 0.000) 0.941 4.890 ( 0.000 -3.378 0.000) 3.378 4.965 ( 0.000 0.288 0.000) 0.288 5.042 ( 0.000 -4.569 0.000) 4.569 5.084 ( 0.000 -0.810 0.000) 0.810 5.435 ( 0.000 0.383 0.000) 0.383 5.540 ( 0.000 0.760 0.000) 0.760 5.657 ( 0.000 3.020 0.000) 3.020 5.843 ( 0.000 2.409 0.000) 2.409 5.865 ( 0.000 3.545 0.000) 3.545 6.026 ( 0.000 -0.546 0.000) 0.546 6.180 ( 0.000 1.589 0.000) 1.589 6.550 ( 0.000 -9.584 0.000) 9.584 6.777 ( 0.000 2.460 0.000) 2.460 6.809 ( 0.000 2.017 0.000) 2.017 7.091 ( 0.000 3.643 0.000) 3.643 7.305 ( 0.000 3.270 0.000) 3.270 7.407 ( 0.000 -0.221 0.000) 0.221 7.421 ( 0.000 -0.887 0.000) 0.887 7.751 ( 0.000 0.915 0.000) 0.915 7.855 ( 0.000 0.907 0.000) 0.907 7.877 ( 0.000 -0.055 0.000) 0.055 7.936 ( 0.000 -1.833 0.000) 1.833 8.022 ( 0.000 1.977 0.000) 1.977 8.140 ( 0.000 -1.803 0.000) 1.803 8.155 ( 0.000 0.220 0.000) 0.220 8.254 ( 0.000 -0.241 0.000) 0.241 8.479 ( 0.000 -4.537 0.000) 4.537 8.552 ( 0.000 -3.224 0.000) 3.224 ======================= Grid point 6 (5/40) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 11.074 9.798 3.013) 15.090 0.510 ( 10.430 12.776 6.665) 17.789 0.737 ( 12.918 10.452 1.012) 16.648 0.963 ( -9.728 4.304 -2.859) 11.015 1.018 ( -6.358 3.612 -4.108) 8.387 1.103 ( 0.152 1.503 3.768) 4.059 1.126 ( -4.084 4.350 0.436) 5.983 1.221 ( 0.420 1.087 -2.641) 2.887 1.295 ( 0.934 3.539 -0.771) 3.740 1.345 ( -1.154 1.734 0.641) 2.179 1.377 ( -0.231 -2.633 2.014) 3.323 1.420 ( 0.188 -0.323 0.450) 0.585 1.445 ( -0.333 1.478 -0.777) 1.702 1.464 ( -2.159 2.375 1.046) 3.376 1.530 ( -2.104 -1.534 -0.007) 2.604 1.615 ( 1.429 2.218 -0.723) 2.736 1.662 ( -0.852 -2.098 2.267) 3.204 1.720 ( -0.322 -1.623 -2.659) 3.132 1.735 ( -0.093 -0.772 0.290) 0.830 1.771 ( 1.057 0.171 -1.365) 1.735 1.805 ( 1.457 -0.497 -0.976) 1.823 1.867 ( -1.472 -0.317 2.103) 2.586 1.873 ( -0.453 -1.471 -2.500) 2.936 1.965 ( 3.530 -1.721 -1.685) 4.273 1.981 ( 0.078 2.133 2.705) 3.446 2.040 ( -0.480 0.161 0.341) 0.610 2.068 ( -0.712 -3.410 1.581) 3.826 2.109 ( 0.526 0.340 2.089) 2.181 2.146 ( -0.483 -1.698 0.461) 1.825 2.183 ( 2.822 -2.754 0.282) 3.953 2.225 ( -2.925 -0.053 -1.271) 3.189 2.249 ( 0.984 -2.378 2.467) 3.565 2.276 ( -0.054 -2.437 1.230) 2.730 2.368 ( -1.316 -1.156 -0.106) 1.754 2.380 ( -0.937 1.567 0.224) 1.839 2.416 ( 1.733 0.205 -0.500) 1.816 2.483 ( 2.686 -0.320 -4.328) 5.103 2.546 ( -2.047 -0.078 -1.485) 2.530 2.613 ( -0.418 2.833 -0.762) 2.964 2.626 ( -1.404 -5.697 -2.185) 6.261 2.710 ( -3.966 -4.372 2.550) 6.430 2.746 ( -1.445 -1.771 0.039) 2.286 2.791 ( 1.973 0.089 -0.558) 2.053 2.821 ( 2.115 -4.245 -0.726) 4.798 2.865 ( 0.459 1.170 1.363) 1.854 2.904 ( -1.246 -1.590 0.250) 2.036 2.952 ( 1.676 -2.783 -1.253) 3.481 2.977 ( 1.416 -0.269 0.852) 1.674 3.025 ( 0.220 2.718 -2.661) 3.810 3.055 ( -0.479 0.968 2.826) 3.026 3.071 ( 0.460 0.727 -2.523) 2.666 3.099 ( -4.004 -0.755 0.618) 4.121 3.128 ( -1.767 -0.562 0.963) 2.089 3.149 ( 1.329 1.511 -1.864) 2.743 3.181 ( -1.573 0.329 1.510) 2.205 3.225 ( -1.118 1.641 1.545) 2.516 3.249 ( 1.704 1.504 2.701) 3.530 3.262 ( 1.157 -1.878 -0.089) 2.208 3.354 ( 3.004 -1.255 -1.102) 3.437 3.402 ( -2.451 -1.384 -0.036) 2.815 3.431 ( -2.251 1.325 0.710) 2.707 3.435 ( -1.563 3.188 -1.595) 3.892 3.510 ( -2.669 -1.643 -0.394) 3.158 3.555 ( -0.590 2.388 1.965) 3.148 3.590 ( -1.819 1.801 -1.876) 3.174 3.614 ( 0.473 2.014 0.766) 2.206 3.662 ( -3.549 2.165 -1.116) 4.304 3.764 ( 2.407 -1.262 -0.027) 2.718 3.822 ( 2.816 0.242 0.008) 2.826 3.847 ( 2.573 1.361 1.462) 3.257 3.914 ( 2.786 3.230 1.736) 4.606 3.961 ( 0.684 -0.228 -2.145) 2.263 4.019 ( -2.391 6.914 1.191) 7.412 4.045 ( -0.214 1.934 -1.995) 2.787 4.061 ( 2.523 2.331 -0.285) 3.447 4.091 ( 2.363 0.569 2.465) 3.462 4.131 ( 3.056 -1.991 -1.683) 4.017 4.143 ( 3.983 0.274 1.011) 4.118 4.199 ( 1.302 -2.433 1.668) 3.224 4.287 ( 0.720 -1.578 -0.016) 1.735 4.304 ( 1.783 0.849 -0.550) 2.050 4.313 ( 0.526 0.970 -1.094) 1.554 4.344 ( -2.176 4.484 -1.676) 5.259 4.454 ( -1.927 -1.633 -2.426) 3.502 4.494 ( -1.435 1.891 1.095) 2.614 4.527 ( -1.369 1.997 -1.557) 2.879 4.602 ( 1.149 -1.457 0.627) 1.959 4.652 ( -2.367 -4.212 -3.692) 6.081 4.683 ( 1.212 -4.378 2.690) 5.280 4.767 ( -6.032 -1.189 0.203) 6.151 4.798 ( -2.968 1.732 -0.750) 3.517 4.840 ( -1.438 -1.456 -0.056) 2.047 4.931 ( 1.155 0.419 2.541) 2.822 4.959 ( 1.288 -1.471 1.140) 2.263 5.016 ( 1.816 -0.558 -1.191) 2.242 5.247 ( 1.753 -8.906 0.639) 9.099 5.449 ( 1.905 -2.825 1.443) 3.701 5.572 ( 1.301 -0.465 2.233) 2.626 5.720 ( 3.975 4.068 3.383) 6.618 5.842 ( -0.063 3.067 -0.620) 3.130 5.851 ( -0.434 2.956 -2.085) 3.643 6.028 ( -0.004 0.266 -0.669) 0.720 6.138 ( -2.815 2.807 -1.892) 4.402 6.505 ( -2.829 -7.063 -2.166) 7.911 6.758 ( 1.333 4.798 -0.407) 4.997 6.884 ( -2.105 5.417 6.873) 9.000 7.076 ( 0.849 1.325 -1.211) 1.986 7.220 ( -4.153 3.913 2.393) 6.188 7.372 ( -1.472 3.309 -2.465) 4.381 7.460 ( 3.396 -2.029 -1.406) 4.199 7.678 ( -0.066 1.990 -1.691) 2.612 7.860 ( 0.948 0.074 0.029) 0.951 7.875 ( -0.176 0.232 -0.234) 0.374 7.935 ( -1.741 -2.334 2.243) 3.676 8.024 ( -0.175 1.509 1.783) 2.343 8.152 ( 0.532 -0.159 -0.574) 0.799 8.221 ( 1.070 -6.066 0.648) 6.194 8.268 ( 0.799 -1.903 0.299) 2.086 8.498 ( -1.275 -2.797 1.570) 3.452 8.555 ( 3.012 -5.225 -5.773) 8.349 ======================= Grid point 7 (6/40) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 11.403 0.000) 11.403 0.733 ( -0.000 5.158 -0.000) 5.158 0.750 ( 0.000 0.116 0.000) 0.116 0.806 ( 0.000 6.955 0.000) 6.955 0.908 ( 0.000 5.173 0.000) 5.173 1.035 ( 0.000 1.733 -0.000) 1.733 1.172 ( 0.000 3.446 0.000) 3.446 1.244 ( 0.000 -2.590 0.000) 2.590 1.310 ( 0.000 0.595 0.000) 0.595 1.391 ( 0.000 -4.443 0.000) 4.443 1.400 ( -0.000 4.422 -0.000) 4.422 1.436 ( 0.000 1.764 -0.000) 1.764 1.438 ( -0.000 -0.002 0.000) 0.002 1.459 ( 0.000 -3.138 -0.000) 3.138 1.461 ( -0.000 3.823 0.000) 3.823 1.584 ( 0.000 2.631 0.000) 2.631 1.613 ( 0.000 3.595 0.000) 3.595 1.711 ( 0.000 -1.140 0.000) 1.140 1.754 ( 0.000 -2.074 -0.000) 2.074 1.778 ( 0.000 -1.505 0.000) 1.505 1.817 ( 0.000 0.935 0.000) 0.935 1.841 ( 0.000 -0.788 -0.000) 0.788 1.877 ( 0.000 3.522 0.000) 3.522 1.964 ( 0.000 1.083 0.000) 1.083 2.027 ( -0.000 -2.207 0.000) 2.207 2.043 ( 0.000 -0.790 -0.000) 0.790 2.074 ( 0.000 -1.138 0.000) 1.138 2.101 ( 0.000 -4.798 0.000) 4.798 2.140 ( 0.000 -1.470 0.000) 1.470 2.190 ( 0.000 2.034 0.000) 2.034 2.225 ( 0.000 -1.689 -0.000) 1.689 2.279 ( -0.000 -1.893 0.000) 1.893 2.280 ( 0.000 -1.225 0.000) 1.225 2.335 ( 0.000 -1.603 0.000) 1.603 2.381 ( 0.000 0.675 0.000) 0.675 2.425 ( 0.000 -0.673 0.000) 0.673 2.494 ( 0.000 1.674 0.000) 1.674 2.505 ( 0.000 -2.944 -0.000) 2.944 2.600 ( 0.000 -1.078 0.000) 1.078 2.635 ( 0.000 -6.764 0.000) 6.764 2.652 ( 0.000 0.378 0.000) 0.378 2.725 ( 0.000 -3.181 -0.000) 3.181 2.798 ( 0.000 0.337 0.000) 0.337 2.867 ( 0.000 -1.194 0.000) 1.194 2.890 ( -0.000 -0.437 0.000) 0.437 2.911 ( 0.000 -2.058 0.000) 2.058 2.954 ( 0.000 -1.244 0.000) 1.244 2.971 ( 0.000 1.178 -0.000) 1.178 3.014 ( 0.000 -2.961 0.000) 2.961 3.014 ( -0.000 4.199 -0.000) 4.199 3.073 ( 0.000 -1.062 0.000) 1.062 3.088 ( 0.000 1.018 -0.000) 1.018 3.125 ( 0.000 0.981 0.000) 0.981 3.150 ( 0.000 1.680 0.000) 1.680 3.187 ( 0.000 1.868 0.000) 1.868 3.200 ( 0.000 -0.097 0.000) 0.097 3.269 ( 0.000 2.184 0.000) 2.184 3.316 ( 0.000 0.601 -0.000) 0.601 3.352 ( 0.000 -1.088 0.000) 1.088 3.384 ( 0.000 0.474 0.000) 0.474 3.403 ( 0.000 3.008 0.000) 3.008 3.420 ( 0.000 -1.331 0.000) 1.331 3.482 ( 0.000 0.614 0.000) 0.614 3.540 ( 0.000 0.625 -0.000) 0.625 3.585 ( -0.000 2.754 -0.000) 2.754 3.588 ( 0.000 3.350 0.000) 3.350 3.658 ( 0.000 -1.463 0.000) 1.463 3.760 ( 0.000 0.136 0.000) 0.136 3.835 ( 0.000 0.390 -0.000) 0.390 3.892 ( 0.000 0.713 0.000) 0.713 3.929 ( 0.000 0.918 0.000) 0.918 3.993 ( 0.000 1.175 0.000) 1.175 4.001 ( -0.000 2.747 0.000) 2.747 4.029 ( 0.000 5.362 0.000) 5.362 4.102 ( -0.000 -0.491 0.000) 0.491 4.110 ( 0.000 -0.066 -0.000) 0.066 4.154 ( 0.000 -3.265 -0.000) 3.265 4.234 ( 0.000 -0.660 0.000) 0.660 4.255 ( 0.000 2.210 0.000) 2.210 4.271 ( 0.000 -0.504 0.000) 0.504 4.291 ( 0.000 3.977 -0.000) 3.977 4.317 ( 0.000 0.673 0.000) 0.673 4.329 ( 0.000 0.928 0.000) 0.928 4.434 ( 0.000 -1.744 0.000) 1.744 4.468 ( 0.000 3.516 -0.000) 3.516 4.521 ( 0.000 2.359 0.000) 2.359 4.578 ( 0.000 -4.542 -0.000) 4.542 4.653 ( 0.000 -7.117 0.000) 7.117 4.659 ( 0.000 -1.026 0.000) 1.026 4.726 ( 0.000 -3.222 0.000) 3.222 4.759 ( 0.000 2.156 -0.000) 2.156 4.826 ( 0.000 -0.777 0.000) 0.777 4.950 ( 0.000 2.717 0.000) 2.717 4.980 ( 0.000 -3.505 0.000) 3.505 5.033 ( 0.000 -1.731 0.000) 1.731 5.247 ( 0.000 -5.321 0.000) 5.321 5.480 ( 0.000 -4.974 0.000) 4.974 5.598 ( 0.000 -1.535 -0.000) 1.535 5.784 ( 0.000 4.137 -0.000) 4.137 5.825 ( 0.000 2.830 0.000) 2.830 5.848 ( 0.000 4.004 0.000) 4.004 6.022 ( 0.000 0.546 0.000) 0.546 6.094 ( 0.000 4.903 0.000) 4.903 6.460 ( 0.000 -5.067 0.000) 5.067 6.790 ( 0.000 6.942 -0.000) 6.942 6.846 ( -0.000 6.502 0.000) 6.502 7.098 ( 0.000 1.030 0.000) 1.030 7.197 ( 0.000 2.071 0.000) 2.071 7.346 ( 0.000 0.440 0.000) 0.440 7.497 ( 0.000 -3.467 0.000) 3.467 7.680 ( 0.000 1.102 0.000) 1.102 7.868 ( 0.000 0.223 0.000) 0.223 7.884 ( 0.000 -0.021 -0.000) 0.021 7.915 ( 0.000 -2.471 0.000) 2.471 8.029 ( 0.000 1.232 -0.000) 1.232 8.157 ( 0.000 0.310 0.000) 0.310 8.227 ( 0.000 -5.792 0.000) 5.792 8.275 ( 0.000 -2.460 0.000) 2.460 8.479 ( 0.000 -1.167 -0.000) 1.167 8.569 ( 0.000 -5.127 0.000) 5.127 ======================= Grid point 10 (7/40) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 14.056 0.000) 14.056 0.713 ( 0.000 18.097 0.000) 18.097 0.814 ( 0.000 6.564 0.000) 6.564 1.135 ( 0.000 -1.261 0.000) 1.261 1.143 ( 0.000 4.550 0.000) 4.550 1.196 ( 0.000 4.285 0.000) 4.285 1.284 ( 0.000 0.608 0.000) 0.608 1.333 ( 0.000 0.046 0.000) 0.046 1.340 ( 0.000 5.386 0.000) 5.386 1.365 ( 0.000 -0.283 0.000) 0.283 1.377 ( 0.000 5.341 0.000) 5.341 1.438 ( 0.000 2.462 0.000) 2.462 1.496 ( 0.000 4.243 0.000) 4.243 1.506 ( 0.000 3.196 0.000) 3.196 1.581 ( 0.000 4.008 0.000) 4.008 1.607 ( 0.000 -2.179 0.000) 2.179 1.644 ( 0.000 7.108 0.000) 7.108 1.654 ( 0.000 -8.452 0.000) 8.452 1.700 ( 0.000 -2.038 0.000) 2.038 1.733 ( 0.000 -5.027 0.000) 5.027 1.790 ( 0.000 0.170 0.000) 0.170 1.805 ( 0.000 0.875 0.000) 0.875 1.835 ( 0.000 -1.344 0.000) 1.344 1.909 ( 0.000 -4.480 0.000) 4.480 1.952 ( 0.000 -2.012 0.000) 2.012 1.969 ( 0.000 -4.598 0.000) 4.598 2.063 ( 0.000 3.183 0.000) 3.183 2.087 ( 0.000 -3.769 0.000) 3.769 2.098 ( 0.000 -2.898 0.000) 2.898 2.163 ( 0.000 1.452 0.000) 1.452 2.207 ( 0.000 -4.093 0.000) 4.093 2.254 ( 0.000 0.496 0.000) 0.496 2.261 ( 0.000 0.827 0.000) 0.827 2.330 ( 0.000 -1.777 0.000) 1.777 2.380 ( 0.000 -1.112 0.000) 1.112 2.410 ( 0.000 -3.138 0.000) 3.138 2.475 ( 0.000 3.101 0.000) 3.101 2.552 ( 0.000 -3.111 0.000) 3.111 2.621 ( 0.000 -4.225 0.000) 4.225 2.626 ( 0.000 -2.966 0.000) 2.966 2.640 ( 0.000 1.463 0.000) 1.463 2.707 ( 0.000 0.840 0.000) 0.840 2.750 ( 0.000 -4.025 0.000) 4.025 2.786 ( 0.000 -0.332 0.000) 0.332 2.846 ( 0.000 -1.477 0.000) 1.477 2.902 ( 0.000 1.427 0.000) 1.427 2.934 ( 0.000 -1.170 0.000) 1.170 2.964 ( 0.000 -2.623 0.000) 2.623 2.995 ( 0.000 -3.351 0.000) 3.351 3.045 ( 0.000 -1.765 0.000) 1.765 3.086 ( 0.000 1.742 0.000) 1.742 3.092 ( 0.000 2.907 0.000) 2.907 3.147 ( 0.000 0.001 0.000) 0.001 3.159 ( 0.000 -5.144 0.000) 5.144 3.180 ( 0.000 -0.601 0.000) 0.601 3.202 ( 0.000 2.800 0.000) 2.800 3.257 ( 0.000 1.112 0.000) 1.112 3.284 ( 0.000 2.859 0.000) 2.859 3.331 ( 0.000 0.988 0.000) 0.988 3.408 ( 0.000 0.589 0.000) 0.589 3.500 ( 0.000 1.172 0.000) 1.172 3.517 ( 0.000 0.818 0.000) 0.818 3.542 ( 0.000 0.856 0.000) 0.856 3.584 ( 0.000 0.073 0.000) 0.073 3.627 ( 0.000 0.119 0.000) 0.119 3.657 ( 0.000 0.185 0.000) 0.185 3.727 ( 0.000 1.673 0.000) 1.673 3.746 ( 0.000 3.893 0.000) 3.893 3.795 ( 0.000 -0.231 0.000) 0.231 3.806 ( 0.000 -1.393 0.000) 1.393 3.941 ( 0.000 1.411 0.000) 1.411 3.984 ( 0.000 4.494 0.000) 4.494 4.004 ( 0.000 1.471 0.000) 1.471 4.048 ( 0.000 0.030 0.000) 0.030 4.086 ( 0.000 0.949 0.000) 0.949 4.130 ( 0.000 1.361 0.000) 1.361 4.136 ( 0.000 -1.094 0.000) 1.094 4.153 ( 0.000 2.100 0.000) 2.100 4.203 ( 0.000 5.084 0.000) 5.084 4.250 ( 0.000 -0.338 0.000) 0.338 4.261 ( 0.000 0.533 0.000) 0.533 4.310 ( 0.000 -0.155 0.000) 0.155 4.437 ( 0.000 -3.877 0.000) 3.877 4.466 ( 0.000 3.305 0.000) 3.305 4.521 ( 0.000 0.513 0.000) 0.513 4.565 ( 0.000 1.169 0.000) 1.169 4.575 ( 0.000 -2.699 0.000) 2.699 4.607 ( 0.000 -0.735 0.000) 0.735 4.646 ( 0.000 -0.702 0.000) 0.702 4.807 ( 0.000 -4.818 0.000) 4.818 4.821 ( 0.000 -2.968 0.000) 2.968 4.822 ( 0.000 -3.284 0.000) 3.284 4.881 ( 0.000 -0.479 0.000) 0.479 4.959 ( 0.000 -1.096 0.000) 1.096 4.969 ( 0.000 -0.816 0.000) 0.816 5.069 ( 0.000 -0.845 0.000) 0.845 5.458 ( 0.000 2.135 0.000) 2.135 5.552 ( 0.000 0.325 0.000) 0.325 5.729 ( 0.000 4.400 0.000) 4.400 5.902 ( 0.000 3.614 0.000) 3.614 5.921 ( 0.000 1.466 0.000) 1.466 6.021 ( 0.000 -0.026 0.000) 0.026 6.217 ( 0.000 2.158 0.000) 2.158 6.375 ( 0.000 -7.871 0.000) 7.871 6.820 ( 0.000 1.997 0.000) 1.997 6.846 ( 0.000 1.537 0.000) 1.537 7.154 ( 0.000 3.206 0.000) 3.206 7.368 ( 0.000 -3.292 0.000) 3.292 7.374 ( 0.000 3.506 0.000) 3.506 7.427 ( 0.000 0.791 0.000) 0.791 7.775 ( 0.000 1.564 0.000) 1.564 7.876 ( 0.000 1.081 0.000) 1.081 7.877 ( 0.000 0.068 0.000) 0.068 7.893 ( 0.000 -2.479 0.000) 2.479 8.065 ( 0.000 2.092 0.000) 2.092 8.103 ( 0.000 -1.902 0.000) 1.902 8.166 ( 0.000 1.107 0.000) 1.107 8.245 ( 0.000 -0.669 0.000) 0.669 8.381 ( 0.000 -5.006 0.000) 5.006 8.472 ( 0.000 -4.984 0.000) 4.984 ======================= Grid point 11 (8/40) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 5.905 9.348 2.829) 11.413 0.770 ( 2.624 12.886 7.033) 14.913 0.856 ( 3.878 5.032 -3.414) 7.212 1.056 ( -7.822 3.669 -2.477) 8.988 1.121 ( -0.937 0.557 -1.254) 1.661 1.173 ( -2.705 7.203 -2.615) 8.126 1.199 ( -3.654 4.377 0.759) 5.752 1.280 ( -3.803 -2.095 2.411) 4.967 1.303 ( -0.197 3.436 -0.595) 3.493 1.341 ( -2.158 0.871 0.846) 2.476 1.403 ( -0.531 1.517 -1.779) 2.397 1.440 ( 1.155 1.868 2.023) 2.986 1.473 ( -2.729 1.120 -1.883) 3.500 1.489 ( 0.544 4.040 -1.521) 4.351 1.571 ( -2.773 3.399 -0.434) 4.408 1.619 ( -1.164 -2.541 3.978) 4.862 1.637 ( 1.343 0.458 -0.875) 1.668 1.656 ( 2.388 -3.074 0.333) 3.907 1.726 ( -0.031 -1.402 -0.288) 1.432 1.757 ( 2.252 0.594 -1.618) 2.836 1.818 ( 0.847 -2.123 -3.287) 4.003 1.830 ( 4.065 1.672 -1.726) 4.722 1.887 ( 2.800 0.811 4.043) 4.984 1.922 ( 2.628 -2.685 0.089) 3.759 1.973 ( 0.642 -4.037 1.387) 4.317 2.019 ( 1.201 -0.961 5.695) 5.899 2.037 ( 0.109 -0.119 -4.628) 4.630 2.078 ( -3.850 -3.840 0.929) 5.517 2.109 ( -0.990 -1.554 1.096) 2.144 2.148 ( 0.738 -1.317 0.129) 1.515 2.184 ( -1.486 -3.947 1.754) 4.567 2.244 ( -0.458 1.209 -0.980) 1.623 2.250 ( 0.313 0.449 2.053) 2.125 2.324 ( 0.772 -1.404 -0.857) 1.817 2.410 ( 2.548 -0.403 0.010) 2.580 2.424 ( -3.731 0.305 -2.091) 4.288 2.472 ( 3.983 -0.383 -0.174) 4.005 2.520 ( -2.517 -1.494 -1.300) 3.203 2.595 ( -2.288 0.233 0.542) 2.363 2.608 ( -1.606 -1.459 -0.144) 2.175 2.678 ( -0.688 0.538 -0.137) 0.884 2.689 ( 3.707 -4.161 -0.499) 5.595 2.762 ( -2.230 0.212 -0.042) 2.241 2.791 ( 0.322 -5.923 -0.169) 5.934 2.831 ( 0.138 0.670 -1.835) 1.958 2.891 ( -0.528 0.036 -0.617) 0.813 2.914 ( 0.185 -4.984 -2.160) 5.435 2.956 ( 1.409 -0.442 0.379) 1.524 2.981 ( -0.713 -1.520 0.176) 1.688 3.058 ( 0.948 0.261 -0.876) 1.316 3.090 ( -3.059 -1.908 -0.963) 3.731 3.113 ( -0.364 2.009 1.325) 2.434 3.147 ( -0.472 0.898 2.118) 2.349 3.163 ( 1.980 1.014 -1.464) 2.663 3.207 ( 1.880 1.139 1.808) 2.846 3.256 ( 3.029 0.833 1.573) 3.513 3.267 ( 2.416 1.698 0.632) 3.020 3.281 ( -1.857 2.823 0.156) 3.383 3.343 ( 4.775 0.526 -1.276) 4.971 3.391 ( -2.350 0.665 1.947) 3.123 3.445 ( -4.426 0.172 0.242) 4.436 3.489 ( -3.043 1.418 1.043) 3.516 3.513 ( -0.850 2.309 -1.784) 3.039 3.563 ( -1.099 -0.705 0.774) 1.518 3.606 ( 1.323 -0.486 -3.248) 3.541 3.659 ( -2.246 -1.002 -0.255) 2.472 3.686 ( -3.780 2.919 0.304) 4.785 3.743 ( -1.122 0.000 0.572) 1.260 3.838 ( 1.393 -0.521 -0.081) 1.490 3.868 ( 5.715 -0.449 1.799) 6.009 3.964 ( 0.913 3.611 2.013) 4.234 3.985 ( 0.561 3.378 -0.789) 3.514 4.021 ( -0.373 -0.681 -1.445) 1.640 4.077 ( -1.374 -1.345 1.959) 2.745 4.093 ( 1.523 1.385 1.834) 2.757 4.130 ( 4.437 0.387 -2.823) 5.273 4.166 ( 1.732 0.493 -0.020) 1.801 4.172 ( 2.095 3.443 -0.395) 4.049 4.187 ( 0.767 4.103 0.933) 4.277 4.256 ( 0.645 -0.615 -0.255) 0.927 4.302 ( 2.721 0.070 -0.246) 2.733 4.317 ( 0.357 -0.598 -0.030) 0.697 4.424 ( -1.061 -2.242 -1.122) 2.722 4.438 ( -3.201 4.682 -1.109) 5.779 4.514 ( -0.444 -0.816 -0.393) 1.009 4.546 ( 0.650 0.765 -1.401) 1.724 4.580 ( -1.528 -2.689 -1.678) 3.519 4.613 ( -1.313 0.328 -0.351) 1.398 4.616 ( 0.789 0.480 2.102) 2.295 4.729 ( -6.218 -3.211 -1.283) 7.115 4.792 ( -2.614 -1.951 1.250) 3.493 4.804 ( -0.092 -2.539 -1.303) 2.856 4.899 ( 0.446 -2.253 1.499) 2.742 4.957 ( 0.819 -0.209 1.569) 1.782 5.002 ( 1.198 -1.174 -0.854) 1.882 5.112 ( 2.306 -4.745 0.455) 5.295 5.428 ( -1.714 0.384 0.686) 1.886 5.555 ( -0.669 -1.505 1.886) 2.503 5.793 ( 3.414 3.515 2.954) 5.722 5.893 ( -1.332 0.987 -1.953) 2.562 5.922 ( 1.577 5.010 0.422) 5.269 6.039 ( 1.318 0.832 -0.890) 1.795 6.205 ( 0.298 4.039 -2.304) 4.659 6.390 ( 0.937 -4.837 -1.212) 5.074 6.836 ( 2.526 3.370 0.316) 4.223 6.928 ( 3.857 0.331 5.890) 7.049 7.126 ( -2.208 3.465 -1.537) 4.387 7.274 ( -5.667 1.924 2.962) 6.678 7.397 ( 0.183 -1.592 1.710) 2.344 7.421 ( -1.058 -1.159 -6.070) 6.270 7.724 ( -2.076 2.752 -0.909) 3.565 7.857 ( -0.904 -0.898 0.725) 1.466 7.878 ( 0.111 0.152 -0.076) 0.203 7.895 ( -0.737 -1.253 1.055) 1.796 8.049 ( -1.081 0.976 1.978) 2.456 8.113 ( 0.868 -3.390 -2.629) 4.377 8.169 ( -0.208 0.818 0.991) 1.301 8.248 ( 0.098 -1.019 0.273) 1.060 8.422 ( 2.153 -4.211 1.452) 4.948 8.470 ( 1.243 -4.066 -4.086) 5.897 ======================= Grid point 12 (9/40) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 2.103 -0.000) 2.103 0.794 ( 0.000 3.616 0.000) 3.616 0.871 ( 0.000 8.948 -0.000) 8.948 0.979 ( 0.000 9.639 0.000) 9.639 1.100 ( -0.000 11.636 -0.000) 11.636 1.104 ( 0.000 5.186 0.000) 5.186 1.135 ( 0.000 -2.659 -0.000) 2.659 1.251 ( 0.000 -4.596 -0.000) 4.596 1.309 ( 0.000 3.911 0.000) 3.911 1.342 ( 0.000 -2.394 0.000) 2.394 1.393 ( 0.000 -1.332 -0.000) 1.332 1.412 ( 0.000 -1.164 0.000) 1.164 1.463 ( 0.000 0.993 -0.000) 0.993 1.512 ( 0.000 5.401 0.000) 5.401 1.544 ( 0.000 2.427 0.000) 2.427 1.628 ( 0.000 1.234 -0.000) 1.234 1.654 ( 0.000 1.406 0.000) 1.406 1.661 ( -0.000 -4.404 0.000) 4.404 1.722 ( 0.000 -0.592 0.000) 0.592 1.787 ( -0.000 3.001 -0.000) 3.001 1.802 ( 0.000 -1.375 0.000) 1.375 1.868 ( 0.000 1.895 -0.000) 1.895 1.920 ( 0.000 0.278 0.000) 0.278 1.967 ( 0.000 -1.154 0.000) 1.154 1.985 ( 0.000 -0.885 0.000) 0.885 2.000 ( 0.000 -4.065 0.000) 4.065 2.052 ( 0.000 1.566 0.000) 1.566 2.055 ( 0.000 -1.942 -0.000) 1.942 2.081 ( 0.000 -5.056 0.000) 5.056 2.174 ( -0.000 -3.065 0.000) 3.065 2.182 ( 0.000 -4.628 -0.000) 4.628 2.235 ( 0.000 0.875 -0.000) 0.875 2.286 ( 0.000 1.695 0.000) 1.695 2.319 ( 0.000 -1.292 -0.000) 1.292 2.385 ( 0.000 -0.504 0.000) 0.504 2.427 ( 0.000 0.685 -0.000) 0.685 2.466 ( 0.000 -0.009 0.000) 0.009 2.522 ( 0.000 1.209 0.000) 1.209 2.572 ( 0.000 0.166 0.000) 0.166 2.584 ( 0.000 0.768 -0.000) 0.768 2.692 ( -0.000 1.958 -0.000) 1.958 2.696 ( 0.000 0.183 0.000) 0.183 2.756 ( 0.000 -9.588 0.000) 9.588 2.777 ( -0.000 -5.542 -0.000) 5.542 2.841 ( 0.000 0.868 -0.000) 0.868 2.877 ( -0.000 -2.979 0.000) 2.979 2.915 ( 0.000 -3.253 0.000) 3.253 2.963 ( 0.000 -2.119 -0.000) 2.119 2.986 ( 0.000 1.162 -0.000) 1.162 3.055 ( -0.000 -1.940 -0.000) 1.940 3.058 ( 0.000 1.840 0.000) 1.840 3.101 ( 0.000 3.415 -0.000) 3.415 3.151 ( -0.000 0.182 -0.000) 0.182 3.175 ( 0.000 -0.074 0.000) 0.074 3.237 ( 0.000 1.319 -0.000) 1.319 3.256 ( 0.000 5.152 -0.000) 5.152 3.313 ( 0.000 1.535 -0.000) 1.535 3.337 ( 0.000 1.268 -0.000) 1.268 3.345 ( 0.000 0.133 0.000) 0.133 3.387 ( 0.000 -1.283 0.000) 1.283 3.417 ( -0.000 2.769 -0.000) 2.769 3.458 ( 0.000 2.858 0.000) 2.858 3.515 ( 0.000 -2.742 0.000) 2.742 3.524 ( 0.000 3.100 -0.000) 3.100 3.608 ( -0.000 -2.570 0.000) 2.570 3.611 ( 0.000 -0.627 -0.000) 0.627 3.658 ( 0.000 3.823 -0.000) 3.823 3.732 ( 0.000 -2.027 0.000) 2.027 3.846 ( 0.000 -1.634 0.000) 1.634 3.942 ( 0.000 2.875 0.000) 2.875 3.970 ( 0.000 4.640 0.000) 4.640 3.991 ( 0.000 1.320 0.000) 1.320 4.023 ( -0.000 2.706 -0.000) 2.706 4.055 ( 0.000 -6.778 0.000) 6.778 4.134 ( 0.000 3.197 0.000) 3.197 4.143 ( 0.000 0.957 -0.000) 0.957 4.165 ( 0.000 2.783 -0.000) 2.783 4.200 ( 0.000 0.019 0.000) 0.019 4.266 ( 0.000 -0.348 0.000) 0.348 4.270 ( 0.000 0.378 -0.000) 0.378 4.317 ( 0.000 -0.605 -0.000) 0.605 4.346 ( -0.000 1.616 0.000) 1.616 4.362 ( 0.000 1.288 -0.000) 1.288 4.411 ( 0.000 0.085 0.000) 0.085 4.520 ( -0.000 -3.542 0.000) 3.542 4.532 ( 0.000 -0.176 0.000) 0.176 4.545 ( 0.000 3.029 -0.000) 3.029 4.594 ( 0.000 3.116 0.000) 3.116 4.630 ( 0.000 -2.009 0.000) 2.009 4.664 ( 0.000 -1.998 -0.000) 1.998 4.763 ( 0.000 -1.110 0.000) 1.110 4.798 ( 0.000 -2.303 0.000) 2.303 4.905 ( 0.000 -2.842 -0.000) 2.842 4.987 ( 0.000 -3.802 -0.000) 3.802 5.000 ( 0.000 1.337 0.000) 1.337 5.135 ( 0.000 -5.507 0.000) 5.507 5.416 ( 0.000 -1.520 0.000) 1.520 5.553 ( 0.000 -3.310 0.000) 3.310 5.839 ( 0.000 2.124 -0.000) 2.124 5.866 ( 0.000 1.377 0.000) 1.377 5.956 ( 0.000 6.252 0.000) 6.252 6.043 ( 0.000 1.676 0.000) 1.676 6.204 ( 0.000 6.203 -0.000) 6.203 6.392 ( 0.000 -2.360 -0.000) 2.360 6.898 ( 0.000 4.502 -0.000) 4.502 6.956 ( -0.000 4.555 0.000) 4.555 7.120 ( 0.000 1.121 0.000) 1.121 7.221 ( 0.000 -0.194 0.000) 0.194 7.345 ( 0.000 -0.684 -0.000) 0.684 7.421 ( 0.000 -4.044 -0.000) 4.044 7.708 ( 0.000 1.884 -0.000) 1.884 7.853 ( 0.000 -2.586 0.000) 2.586 7.883 ( 0.000 0.010 0.000) 0.010 7.884 ( -0.000 -0.040 0.000) 0.040 8.047 ( 0.000 0.585 -0.000) 0.585 8.110 ( 0.000 -4.816 0.000) 4.816 8.169 ( 0.000 1.102 0.000) 1.102 8.250 ( 0.000 -1.147 0.000) 1.147 8.446 ( 0.000 -2.103 0.000) 2.103 8.472 ( 0.000 -4.480 -0.000) 4.480 ======================= Grid point 15 (10/40) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 10.485 0.000) 10.485 0.883 ( 0.000 0.951 0.000) 0.951 1.021 ( 0.000 13.926 0.000) 13.926 1.109 ( 0.000 -0.468 0.000) 0.468 1.158 ( 0.000 -4.420 0.000) 4.420 1.204 ( 0.000 -6.678 0.000) 6.678 1.275 ( 0.000 4.636 0.000) 4.636 1.318 ( 0.000 3.610 0.000) 3.610 1.366 ( 0.000 -0.618 0.000) 0.618 1.401 ( 0.000 -4.704 0.000) 4.704 1.414 ( 0.000 3.677 0.000) 3.677 1.467 ( 0.000 -4.723 0.000) 4.723 1.514 ( 0.000 1.084 0.000) 1.084 1.551 ( 0.000 0.212 0.000) 0.212 1.604 ( 0.000 0.946 0.000) 0.946 1.631 ( 0.000 0.472 0.000) 0.472 1.633 ( 0.000 -2.325 0.000) 2.325 1.659 ( 0.000 -2.044 0.000) 2.044 1.728 ( 0.000 2.555 0.000) 2.555 1.739 ( 0.000 9.346 0.000) 9.346 1.787 ( 0.000 -2.923 0.000) 2.923 1.788 ( 0.000 -0.687 0.000) 0.687 1.859 ( 0.000 0.819 0.000) 0.819 1.872 ( 0.000 2.163 0.000) 2.163 1.913 ( 0.000 0.428 0.000) 0.428 1.935 ( 0.000 1.526 0.000) 1.526 2.023 ( 0.000 -3.057 0.000) 3.057 2.027 ( 0.000 -2.616 0.000) 2.616 2.092 ( 0.000 -1.025 0.000) 1.025 2.116 ( 0.000 -4.372 0.000) 4.372 2.203 ( 0.000 3.469 0.000) 3.469 2.274 ( 0.000 -1.256 0.000) 1.256 2.276 ( 0.000 0.595 0.000) 0.595 2.284 ( 0.000 -1.418 0.000) 1.418 2.376 ( 0.000 0.913 0.000) 0.913 2.394 ( 0.000 0.671 0.000) 0.671 2.471 ( 0.000 -3.635 0.000) 3.635 2.479 ( 0.000 -2.037 0.000) 2.037 2.597 ( 0.000 0.413 0.000) 0.413 2.625 ( 0.000 -2.836 0.000) 2.836 2.646 ( 0.000 2.835 0.000) 2.835 2.678 ( 0.000 -2.751 0.000) 2.751 2.695 ( 0.000 0.810 0.000) 0.810 2.772 ( 0.000 -3.125 0.000) 3.125 2.826 ( 0.000 1.894 0.000) 1.894 2.884 ( 0.000 -4.109 0.000) 4.109 2.948 ( 0.000 2.219 0.000) 2.219 2.953 ( 0.000 2.835 0.000) 2.835 2.977 ( 0.000 -0.668 0.000) 0.668 3.013 ( 0.000 -2.643 0.000) 2.643 3.064 ( 0.000 -1.698 0.000) 1.698 3.089 ( 0.000 -1.867 0.000) 1.867 3.141 ( 0.000 1.161 0.000) 1.161 3.151 ( 0.000 -0.114 0.000) 0.114 3.175 ( 0.000 1.587 0.000) 1.587 3.215 ( 0.000 -1.704 0.000) 1.704 3.292 ( 0.000 2.560 0.000) 2.560 3.330 ( 0.000 -1.009 0.000) 1.009 3.370 ( 0.000 5.356 0.000) 5.356 3.443 ( 0.000 1.339 0.000) 1.339 3.476 ( 0.000 -2.360 0.000) 2.360 3.504 ( 0.000 -1.097 0.000) 1.097 3.588 ( 0.000 1.457 0.000) 1.457 3.590 ( 0.000 0.384 0.000) 0.384 3.633 ( 0.000 1.574 0.000) 1.574 3.650 ( 0.000 -0.263 0.000) 0.263 3.723 ( 0.000 -1.918 0.000) 1.918 3.727 ( 0.000 -3.224 0.000) 3.224 3.807 ( 0.000 1.128 0.000) 1.128 3.810 ( 0.000 1.043 0.000) 1.043 3.994 ( 0.000 3.214 0.000) 3.214 4.031 ( 0.000 0.011 0.000) 0.011 4.068 ( 0.000 1.983 0.000) 1.983 4.068 ( 0.000 2.369 0.000) 2.369 4.096 ( 0.000 -1.662 0.000) 1.662 4.106 ( 0.000 1.586 0.000) 1.586 4.116 ( 0.000 -0.000 0.000) 0.000 4.184 ( 0.000 -2.426 0.000) 2.426 4.243 ( 0.000 2.373 0.000) 2.373 4.260 ( 0.000 1.275 0.000) 1.275 4.302 ( 0.000 -0.357 0.000) 0.357 4.343 ( 0.000 -1.204 0.000) 1.204 4.364 ( 0.000 3.466 0.000) 3.466 4.468 ( 0.000 -3.597 0.000) 3.597 4.528 ( 0.000 -0.498 0.000) 0.498 4.535 ( 0.000 -1.967 0.000) 1.967 4.589 ( 0.000 4.469 0.000) 4.469 4.643 ( 0.000 3.005 0.000) 3.005 4.662 ( 0.000 1.690 0.000) 1.690 4.724 ( 0.000 -3.606 0.000) 3.606 4.730 ( 0.000 -5.097 0.000) 5.097 4.746 ( 0.000 -4.519 0.000) 4.519 4.886 ( 0.000 1.794 0.000) 1.794 4.927 ( 0.000 -2.182 0.000) 2.182 5.002 ( 0.000 2.675 0.000) 2.675 5.046 ( 0.000 -1.830 0.000) 1.830 5.507 ( 0.000 2.682 0.000) 2.682 5.545 ( 0.000 -1.202 0.000) 1.202 5.815 ( 0.000 4.804 0.000) 4.804 5.899 ( 0.000 -3.579 0.000) 3.579 5.967 ( 0.000 3.101 0.000) 3.101 6.010 ( 0.000 -1.446 0.000) 1.446 6.253 ( 0.000 1.551 0.000) 1.551 6.283 ( 0.000 -2.364 0.000) 2.364 6.848 ( 0.000 1.066 0.000) 1.066 6.860 ( 0.000 -0.046 0.000) 0.046 7.218 ( 0.000 3.838 0.000) 3.838 7.295 ( 0.000 -4.251 0.000) 4.251 7.423 ( 0.000 1.704 0.000) 1.704 7.437 ( 0.000 0.089 0.000) 0.089 7.807 ( 0.000 1.875 0.000) 1.875 7.846 ( 0.000 -2.255 0.000) 2.255 7.885 ( 0.000 0.465 0.000) 0.465 7.889 ( 0.000 0.225 0.000) 0.225 8.079 ( 0.000 -0.543 0.000) 0.543 8.080 ( 0.000 -0.280 0.000) 0.280 8.201 ( 0.000 2.163 0.000) 2.163 8.230 ( 0.000 -1.056 0.000) 1.056 8.328 ( 0.000 0.057 0.000) 0.057 8.379 ( 0.000 -4.570 0.000) 4.570 ======================= Grid point 16 (11/40) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.316 7.716 2.198) 8.029 0.866 ( -2.166 0.524 2.770) 3.555 1.046 ( 0.685 8.071 1.470) 8.233 1.073 ( -4.028 -0.469 0.281) 4.065 1.144 ( 0.928 0.864 -3.062) 3.314 1.200 ( -2.406 -1.383 1.154) 3.005 1.225 ( -1.563 2.342 -2.414) 3.708 1.298 ( 0.668 4.998 -0.766) 5.100 1.336 ( -2.698 -4.567 -0.593) 5.338 1.379 ( -2.821 1.094 0.263) 3.037 1.409 ( -1.869 -0.290 0.661) 2.004 1.439 ( -1.349 -2.907 1.326) 3.468 1.476 ( -2.804 2.231 -1.923) 4.067 1.520 ( 0.519 -1.575 -1.716) 2.387 1.557 ( -4.257 0.345 -0.721) 4.331 1.617 ( -2.673 -4.116 -0.952) 4.999 1.657 ( 3.598 3.640 -0.880) 5.194 1.684 ( 2.199 2.260 1.814) 3.638 1.715 ( 0.607 0.737 0.070) 0.957 1.757 ( 1.119 -1.440 -0.584) 1.915 1.824 ( 1.715 1.352 -2.531) 3.343 1.846 ( 3.645 0.816 0.670) 3.795 1.878 ( 2.864 0.303 0.612) 2.944 1.902 ( 1.510 0.835 1.588) 2.345 1.958 ( 1.595 0.805 -0.687) 1.914 1.970 ( 1.382 -2.307 2.148) 3.441 2.017 ( -1.363 -1.142 -0.874) 1.981 2.030 ( 0.742 -1.060 1.684) 2.124 2.073 ( -2.548 -3.090 0.659) 4.059 2.092 ( -1.215 -2.408 1.200) 2.952 2.196 ( -0.136 4.625 1.125) 4.762 2.258 ( -1.521 1.193 1.639) 2.534 2.279 ( 1.352 0.323 1.068) 1.753 2.306 ( 2.289 -1.307 0.101) 2.638 2.398 ( -1.101 -0.541 -4.699) 4.856 2.424 ( -0.516 -0.468 -0.450) 0.829 2.452 ( 1.590 -1.584 1.300) 2.594 2.483 ( 1.207 -2.193 2.705) 3.685 2.586 ( 0.336 0.699 1.835) 1.992 2.608 ( -0.581 -1.006 -0.294) 1.198 2.644 ( -1.023 -0.910 -2.015) 2.436 2.655 ( 0.181 -3.468 -1.141) 3.655 2.720 ( 0.943 3.494 1.103) 3.784 2.792 ( -2.757 2.042 -2.408) 4.192 2.819 ( 3.207 -4.477 -0.511) 5.531 2.831 ( -2.750 -2.944 -3.263) 5.184 2.909 ( -1.128 2.236 -1.090) 2.732 2.947 ( -1.974 -2.075 -0.956) 3.020 2.985 ( 2.160 2.519 0.729) 3.398 3.032 ( 2.092 -2.102 0.210) 2.973 3.075 ( 0.309 1.110 1.568) 1.946 3.120 ( 1.245 -2.107 1.063) 2.668 3.165 ( -0.456 -0.124 -1.239) 1.326 3.172 ( -1.977 0.324 0.909) 2.200 3.208 ( 4.111 1.081 -0.002) 4.250 3.237 ( 2.745 -1.780 0.727) 3.351 3.311 ( 2.733 2.598 0.477) 3.801 3.345 ( 2.142 -0.190 -1.266) 2.495 3.369 ( -0.496 3.618 1.284) 3.871 3.423 ( -3.124 -0.922 0.174) 3.262 3.452 ( -1.933 4.148 1.492) 4.813 3.513 ( -2.224 0.970 -0.310) 2.446 3.540 ( 0.734 -0.408 0.010) 0.840 3.546 ( -1.836 -0.734 -1.082) 2.254 3.585 ( -1.070 -1.173 -2.644) 3.084 3.604 ( -3.637 -3.221 -1.345) 5.041 3.735 ( -0.515 2.397 1.747) 3.010 3.775 ( -2.482 2.747 0.685) 3.765 3.793 ( 0.422 -3.168 0.095) 3.197 3.833 ( 3.381 -2.971 3.247) 5.550 4.014 ( -0.356 1.840 -0.844) 2.056 4.027 ( 1.166 1.407 -1.347) 2.270 4.070 ( -0.661 1.646 -0.045) 1.774 4.091 ( 2.231 2.183 -0.626) 3.183 4.111 ( 2.102 0.767 0.692) 2.342 4.129 ( 1.481 -0.749 0.657) 1.785 4.135 ( 1.047 0.368 0.028) 1.110 4.191 ( 1.478 -1.812 0.321) 2.360 4.243 ( 0.555 1.913 0.160) 1.999 4.276 ( 0.996 -0.337 0.043) 1.052 4.299 ( -0.175 1.066 0.439) 1.166 4.357 ( -0.037 0.868 -0.683) 1.105 4.363 ( 1.418 0.159 -0.203) 1.441 4.444 ( -2.750 -3.594 -2.098) 4.987 4.536 ( 1.722 2.024 0.170) 2.663 4.548 ( 0.476 -0.704 -0.226) 0.879 4.560 ( -2.767 2.531 0.550) 3.790 4.639 ( -3.945 -2.903 -0.459) 4.919 4.657 ( 0.312 3.076 0.835) 3.202 4.674 ( -0.155 1.493 0.755) 1.680 4.734 ( -0.097 -3.198 0.752) 3.287 4.757 ( 0.058 -3.120 0.231) 3.129 4.875 ( -0.362 0.211 -1.103) 1.180 4.911 ( -0.564 -3.237 -1.822) 3.757 5.013 ( 0.507 2.013 0.459) 2.126 5.056 ( 0.436 -2.349 0.231) 2.401 5.458 ( -3.435 2.620 0.638) 4.367 5.513 ( -2.912 -2.876 1.179) 4.259 5.849 ( 1.515 2.562 1.409) 3.293 5.887 ( -0.620 -1.387 -0.376) 1.565 6.007 ( 2.959 3.581 0.668) 4.693 6.045 ( 2.534 -0.584 -0.155) 2.605 6.274 ( 2.854 3.126 -2.314) 4.824 6.324 ( 3.404 -2.622 -1.427) 4.528 6.885 ( 3.495 2.027 1.352) 4.260 6.916 ( 4.416 -1.315 3.122) 5.566 7.198 ( -2.702 4.173 -0.419) 4.989 7.271 ( -3.924 -2.888 1.573) 5.120 7.372 ( -1.947 0.462 -1.215) 2.341 7.398 ( -3.980 -1.647 -1.409) 4.532 7.775 ( -2.371 2.626 0.103) 3.540 7.822 ( -2.110 -2.388 0.924) 3.318 7.884 ( 0.035 0.415 -0.037) 0.418 7.889 ( -0.100 -0.085 -0.021) 0.133 8.058 ( -1.342 0.288 1.579) 2.092 8.071 ( -0.645 -1.261 -1.210) 1.862 8.197 ( -0.186 1.775 0.237) 1.800 8.226 ( -0.253 -1.332 0.592) 1.479 8.375 ( 3.338 -0.472 -0.566) 3.418 8.402 ( 2.424 -2.952 -2.648) 4.648 ======================= Grid point 17 (12/40) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.000 3.324 -0.000) 3.324 0.847 ( 0.000 1.440 0.000) 1.440 1.006 ( 0.000 3.443 0.000) 3.443 1.059 ( 0.000 -2.520 0.000) 2.520 1.134 ( -0.000 4.374 0.000) 4.374 1.181 ( 0.000 1.128 -0.000) 1.128 1.217 ( 0.000 5.433 -0.000) 5.433 1.284 ( 0.000 -0.658 0.000) 0.658 1.321 ( 0.000 5.046 0.000) 5.046 1.337 ( 0.000 0.590 -0.000) 0.590 1.389 ( -0.000 -0.272 -0.000) 0.272 1.415 ( 0.000 0.504 0.000) 0.504 1.464 ( 0.000 -1.356 -0.000) 1.356 1.494 ( 0.000 -5.033 -0.000) 5.033 1.545 ( -0.000 -2.079 0.000) 2.079 1.573 ( 0.000 -1.695 0.000) 1.695 1.688 ( 0.000 2.435 0.000) 2.435 1.704 ( -0.000 2.853 -0.000) 2.853 1.719 ( 0.000 0.907 0.000) 0.907 1.772 ( 0.000 -2.239 -0.000) 2.239 1.863 ( 0.000 4.292 0.000) 4.292 1.889 ( 0.000 0.498 0.000) 0.498 1.900 ( -0.000 -1.106 0.000) 1.106 1.924 ( 0.000 -3.783 -0.000) 3.783 1.963 ( 0.000 1.157 0.000) 1.157 1.980 ( -0.000 -0.721 0.000) 0.721 2.002 ( -0.000 -2.159 0.000) 2.159 2.025 ( 0.000 -2.583 -0.000) 2.583 2.048 ( 0.000 0.204 -0.000) 0.204 2.108 ( 0.000 -4.144 0.000) 4.144 2.201 ( 0.000 6.385 0.000) 6.385 2.248 ( 0.000 1.684 -0.000) 1.684 2.320 ( 0.000 1.284 0.000) 1.284 2.323 ( 0.000 0.846 -0.000) 0.846 2.355 ( 0.000 -2.087 0.000) 2.087 2.407 ( 0.000 -5.335 0.000) 5.335 2.483 ( 0.000 0.647 -0.000) 0.647 2.498 ( 0.000 -2.800 0.000) 2.800 2.601 ( 0.000 2.444 0.000) 2.444 2.615 ( 0.000 1.803 0.000) 1.803 2.634 ( 0.000 -0.947 -0.000) 0.947 2.666 ( 0.000 -4.733 -0.000) 4.733 2.734 ( 0.000 2.653 -0.000) 2.653 2.742 ( 0.000 4.503 0.000) 4.503 2.799 ( 0.000 -4.125 0.000) 4.125 2.858 ( 0.000 -7.027 0.000) 7.027 2.882 ( 0.000 2.010 -0.000) 2.010 2.898 ( -0.000 -0.145 0.000) 0.145 3.032 ( 0.000 2.795 0.000) 2.795 3.068 ( -0.000 2.848 0.000) 2.848 3.075 ( 0.000 -0.619 -0.000) 0.619 3.127 ( 0.000 -1.417 0.000) 1.417 3.134 ( -0.000 -1.332 -0.000) 1.332 3.152 ( 0.000 -1.909 0.000) 1.909 3.253 ( 0.000 2.206 -0.000) 2.206 3.303 ( 0.000 -2.011 -0.000) 2.011 3.339 ( -0.000 2.285 0.000) 2.285 3.351 ( -0.000 0.300 -0.000) 0.300 3.356 ( 0.000 1.064 0.000) 1.064 3.375 ( 0.000 -0.650 -0.000) 0.650 3.478 ( -0.000 3.514 -0.000) 3.514 3.490 ( 0.000 1.829 0.000) 1.829 3.516 ( 0.000 2.370 0.000) 2.370 3.550 ( -0.000 -2.893 0.000) 2.893 3.554 ( 0.000 -2.167 -0.000) 2.167 3.566 ( 0.000 -2.294 -0.000) 2.294 3.720 ( 0.000 1.606 0.000) 1.606 3.756 ( 0.000 5.132 0.000) 5.132 3.787 ( 0.000 -2.609 0.000) 2.609 3.895 ( 0.000 -7.442 0.000) 7.442 4.002 ( 0.000 2.238 -0.000) 2.238 4.029 ( -0.000 0.850 0.000) 0.850 4.066 ( 0.000 4.719 -0.000) 4.719 4.118 ( 0.000 0.206 -0.000) 0.206 4.130 ( 0.000 3.023 -0.000) 3.023 4.133 ( -0.000 -1.108 0.000) 1.108 4.155 ( 0.000 -0.603 0.000) 0.603 4.233 ( -0.000 -3.570 0.000) 3.570 4.254 ( 0.000 2.164 -0.000) 2.164 4.291 ( 0.000 -1.959 0.000) 1.959 4.301 ( 0.000 3.318 0.000) 3.318 4.364 ( -0.000 -1.668 0.000) 1.668 4.373 ( 0.000 1.372 -0.000) 1.372 4.398 ( 0.000 -2.118 -0.000) 2.118 4.504 ( 0.000 2.419 -0.000) 2.419 4.540 ( 0.000 -0.285 0.000) 0.285 4.568 ( -0.000 0.379 0.000) 0.379 4.589 ( 0.000 -1.989 -0.000) 1.989 4.666 ( 0.000 3.849 0.000) 3.849 4.695 ( -0.000 4.054 -0.000) 4.054 4.727 ( 0.000 -2.812 0.000) 2.812 4.757 ( 0.000 -1.989 0.000) 1.989 4.868 ( 0.000 -0.953 0.000) 0.953 4.897 ( 0.000 -4.430 0.000) 4.430 5.020 ( 0.000 1.278 0.000) 1.278 5.059 ( 0.000 -2.963 -0.000) 2.963 5.423 ( 0.000 2.095 0.000) 2.095 5.483 ( 0.000 -3.901 0.000) 3.901 5.869 ( 0.000 1.083 -0.000) 1.083 5.878 ( 0.000 0.059 0.000) 0.059 6.049 ( 0.000 3.190 0.000) 3.190 6.070 ( 0.000 0.644 0.000) 0.644 6.304 ( 0.000 4.134 -0.000) 4.134 6.357 ( 0.000 -1.893 -0.000) 1.893 6.966 ( 0.000 3.045 -0.000) 3.045 7.001 ( -0.000 0.002 0.000) 0.002 7.141 ( 0.000 1.564 0.000) 1.564 7.187 ( -0.000 -2.881 0.000) 2.881 7.336 ( 0.000 0.297 -0.000) 0.297 7.361 ( 0.000 -2.323 0.000) 2.323 7.750 ( 0.000 2.553 -0.000) 2.553 7.800 ( 0.000 -2.834 0.000) 2.834 7.885 ( 0.000 0.168 0.000) 0.168 7.887 ( -0.000 0.061 -0.000) 0.061 8.052 ( 0.000 0.034 -0.000) 0.034 8.059 ( -0.000 -1.081 0.000) 1.081 8.197 ( 0.000 1.673 0.000) 1.673 8.226 ( 0.000 -1.429 0.000) 1.429 8.413 ( 0.000 -1.105 0.000) 1.105 8.415 ( 0.000 -1.529 -0.000) 1.529 ======================= Grid point 35 (13/40) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -2.410 0.000 16.193) 16.371 0.392 ( -3.504 0.000 17.598) 17.943 0.702 ( -0.477 0.000 30.149) 30.152 0.915 ( 3.987 0.000 -7.966) 8.908 1.041 ( 2.617 0.000 -6.398) 6.912 1.111 ( 0.907 0.000 -0.165) 0.921 1.147 ( -2.132 0.000 0.596) 2.213 1.181 ( -4.553 0.000 -1.510) 4.797 1.198 ( -3.489 0.000 -2.824) 4.489 1.304 ( 4.068 0.000 -6.065) 7.303 1.307 ( -0.595 0.000 -4.618) 4.656 1.387 ( 1.489 0.000 3.517) 3.820 1.499 ( 3.818 0.000 3.971) 5.509 1.522 ( -1.855 0.000 1.923) 2.672 1.561 ( 0.687 0.000 6.728) 6.763 1.632 ( 0.697 0.000 -3.996) 4.057 1.703 ( -3.031 0.000 7.492) 8.082 1.742 ( 1.748 0.000 3.979) 4.346 1.795 ( -2.021 0.000 0.983) 2.247 1.816 ( -2.435 0.000 -1.714) 2.978 1.820 ( -1.554 0.000 1.319) 2.038 1.873 ( 2.479 0.000 -2.505) 3.525 1.881 ( -0.309 0.000 -0.527) 0.611 1.922 ( -3.514 0.000 -5.746) 6.735 1.940 ( -1.591 0.000 -2.891) 3.300 2.017 ( 0.930 0.000 -1.300) 1.598 2.037 ( 1.737 0.000 -4.577) 4.896 2.101 ( 0.081 0.000 -1.278) 1.281 2.102 ( 2.746 0.000 2.827) 3.941 2.196 ( 3.212 0.000 -3.418) 4.691 2.199 ( -0.430 0.000 -1.451) 1.513 2.284 ( -2.197 0.000 -2.999) 3.718 2.315 ( 2.761 0.000 -1.604) 3.193 2.317 ( 4.173 0.000 0.164) 4.176 2.354 ( 5.203 0.000 0.053) 5.203 2.390 ( -2.371 0.000 0.745) 2.486 2.492 ( -3.610 0.000 -0.511) 3.646 2.525 ( -0.649 0.000 0.406) 0.765 2.648 ( -4.022 0.000 0.694) 4.081 2.696 ( 0.919 0.000 -3.608) 3.723 2.730 ( 1.569 0.000 0.839) 1.779 2.763 ( 1.942 0.000 -0.971) 2.171 2.832 ( 1.522 0.000 0.308) 1.553 2.891 ( -0.443 0.000 2.456) 2.495 2.891 ( -1.995 0.000 -2.989) 3.594 2.933 ( -0.045 0.000 -0.907) 0.908 2.969 ( 0.797 0.000 -2.153) 2.296 2.995 ( 0.028 0.000 -1.807) 1.807 3.010 ( -5.922 0.000 5.170) 7.861 3.027 ( -2.152 0.000 2.745) 3.488 3.037 ( 5.480 0.000 1.035) 5.577 3.101 ( -0.203 0.000 0.644) 0.675 3.107 ( 0.118 0.000 -1.374) 1.379 3.158 ( 2.037 0.000 -3.528) 4.074 3.165 ( -0.533 0.000 -1.521) 1.612 3.217 ( 3.785 0.000 2.938) 4.791 3.288 ( -3.353 0.000 -3.745) 5.026 3.300 ( -2.813 0.000 0.441) 2.847 3.332 ( 2.379 0.000 1.251) 2.688 3.411 ( 3.569 0.000 -0.871) 3.673 3.471 ( -2.590 0.000 -0.193) 2.597 3.497 ( -2.667 0.000 3.650) 4.521 3.569 ( -4.145 0.000 -1.096) 4.288 3.581 ( 3.889 0.000 -0.696) 3.951 3.596 ( 1.147 0.000 2.434) 2.691 3.669 ( 3.709 0.000 -0.513) 3.745 3.684 ( -3.006 0.000 -1.021) 3.175 3.735 ( -5.463 0.000 -1.275) 5.610 3.750 ( 0.846 0.000 1.944) 2.120 3.760 ( 2.630 0.000 3.984) 4.774 3.845 ( -0.112 0.000 -2.154) 2.157 3.925 ( -1.264 0.000 1.180) 1.729 3.944 ( -0.725 0.000 -2.078) 2.201 4.021 ( -0.583 0.000 -2.908) 2.966 4.047 ( 0.310 0.000 5.113) 5.122 4.060 ( -0.145 0.000 1.460) 1.468 4.102 ( 0.881 0.000 -0.533) 1.030 4.151 ( 1.074 0.000 1.522) 1.863 4.244 ( -0.482 0.000 -1.394) 1.476 4.248 ( -5.692 0.000 -1.583) 5.908 4.303 ( 0.015 0.000 1.288) 1.288 4.308 ( -1.769 0.000 1.748) 2.487 4.354 ( 0.234 0.000 4.533) 4.539 4.437 ( 2.281 0.000 -2.261) 3.212 4.484 ( -4.423 0.000 -4.490) 6.302 4.587 ( 1.013 0.000 2.934) 3.104 4.600 ( -1.081 0.000 0.625) 1.249 4.685 ( -0.234 0.000 -3.181) 3.189 4.692 ( 1.090 0.000 -0.178) 1.104 4.798 ( 3.734 0.000 -4.499) 5.847 4.828 ( -0.307 0.000 3.808) 3.820 4.866 ( -0.463 0.000 0.877) 0.992 4.925 ( 2.667 0.000 -0.036) 2.667 5.042 ( -7.498 0.000 -2.407) 7.875 5.049 ( -5.139 0.000 3.750) 6.362 5.176 ( 15.002 0.000 -2.351) 15.186 5.490 ( 0.537 0.000 4.028) 4.064 5.542 ( 2.356 0.000 0.862) 2.508 5.647 ( 0.037 0.000 1.624) 1.624 5.787 ( -1.737 0.000 -3.355) 3.778 5.848 ( -0.383 0.000 2.470) 2.500 5.998 ( 1.087 0.000 -3.046) 3.234 6.185 ( -2.123 0.000 2.730) 3.459 6.545 ( 0.174 0.000 -10.714) 10.715 6.755 ( -0.227 0.000 2.247) 2.258 6.801 ( 2.834 0.000 1.160) 3.062 7.132 ( -0.941 0.000 1.149) 1.485 7.177 ( 4.784 0.000 -0.405) 4.801 7.405 ( -9.028 0.000 0.864) 9.069 7.432 ( 0.551 0.000 0.029) 0.552 7.690 ( -3.538 0.000 2.969) 4.619 7.770 ( 10.599 0.000 -0.971) 10.643 7.852 ( 0.029 0.000 0.493) 0.493 7.875 ( -0.226 0.000 -0.304) 0.379 8.031 ( -0.061 0.000 5.186) 5.187 8.170 ( -0.277 0.000 1.482) 1.508 8.235 ( 0.821 0.000 -1.830) 2.006 8.322 ( 1.957 0.000 -3.503) 4.013 8.545 ( 0.286 0.000 -0.104) 0.305 8.578 ( -6.283 0.000 -1.713) 6.512 ======================= Grid point 36 (14/40) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 5.115 0.000 14.034) 14.937 0.572 ( 10.997 0.000 9.085) 14.264 0.898 ( -2.802 0.000 8.265) 8.727 0.911 ( -6.818 0.000 1.200) 6.922 0.968 ( -4.941 0.000 7.444) 8.935 1.046 ( -0.316 0.000 -8.921) 8.926 1.089 ( 1.013 0.000 -9.017) 9.074 1.099 ( -0.021 0.000 -1.878) 1.878 1.237 ( 3.324 0.000 3.465) 4.802 1.293 ( 5.338 0.000 2.192) 5.770 1.332 ( -0.619 0.000 -1.507) 1.630 1.427 ( 1.212 0.000 1.959) 2.304 1.519 ( -0.347 0.000 1.808) 1.841 1.562 ( -1.403 0.000 4.289) 4.513 1.599 ( -1.015 0.000 3.287) 3.440 1.637 ( 4.342 0.000 -5.717) 7.179 1.672 ( -3.980 0.000 6.905) 7.970 1.698 ( -4.370 0.000 -2.630) 5.100 1.721 ( -9.539 0.000 0.775) 9.570 1.779 ( 1.867 0.000 -0.504) 1.933 1.829 ( 2.486 0.000 3.871) 4.600 1.839 ( -0.678 0.000 -2.322) 2.419 1.876 ( -2.582 0.000 -0.456) 2.622 1.904 ( 2.635 0.000 -1.129) 2.867 1.959 ( 4.037 0.000 -1.338) 4.253 2.024 ( 1.205 0.000 -2.081) 2.405 2.056 ( 2.599 0.000 -9.355) 9.710 2.148 ( 4.258 0.000 -0.219) 4.263 2.155 ( -2.446 0.000 -2.458) 3.467 2.165 ( 0.271 0.000 4.765) 4.773 2.182 ( -3.208 0.000 -6.855) 7.569 2.207 ( -0.016 0.000 -1.113) 1.113 2.320 ( -1.221 0.000 -1.536) 1.962 2.372 ( -3.574 0.000 -2.906) 4.607 2.396 ( 4.199 0.000 -1.664) 4.517 2.415 ( 1.808 0.000 -0.111) 1.811 2.437 ( 0.454 0.000 3.797) 3.824 2.529 ( 0.960 0.000 0.655) 1.162 2.613 ( -0.182 0.000 2.473) 2.479 2.697 ( 1.958 0.000 -3.627) 4.122 2.713 ( -2.774 0.000 0.208) 2.781 2.811 ( 1.874 0.000 -1.074) 2.159 2.841 ( -1.955 0.000 3.958) 4.415 2.845 ( 0.689 0.000 -1.128) 1.322 2.880 ( -0.740 0.000 2.090) 2.217 2.924 ( -5.566 0.000 2.225) 5.994 2.947 ( 1.897 0.000 -0.690) 2.019 2.977 ( -0.075 0.000 -3.022) 3.023 2.990 ( 1.236 0.000 0.657) 1.400 3.054 ( 3.514 0.000 0.659) 3.575 3.059 ( -5.444 0.000 0.038) 5.444 3.080 ( -0.082 0.000 -1.113) 1.116 3.098 ( -3.832 0.000 -3.475) 5.173 3.146 ( 1.394 0.000 3.023) 3.329 3.186 ( 1.300 0.000 1.149) 1.735 3.228 ( -2.700 0.000 -0.866) 2.836 3.234 ( 1.619 0.000 -2.186) 2.720 3.329 ( -2.758 0.000 -0.606) 2.824 3.341 ( 3.862 0.000 2.952) 4.860 3.372 ( -1.671 0.000 -3.033) 3.463 3.423 ( -3.528 0.000 0.518) 3.566 3.464 ( -3.766 0.000 -1.476) 4.045 3.491 ( -1.372 0.000 5.829) 5.989 3.564 ( -3.512 0.000 0.865) 3.617 3.608 ( -3.903 0.000 0.235) 3.910 3.613 ( -0.457 0.000 2.533) 2.574 3.648 ( 0.888 0.000 -1.385) 1.645 3.725 ( 1.541 0.000 -0.598) 1.653 3.839 ( 0.314 0.000 -0.408) 0.515 3.845 ( 3.356 0.000 -0.234) 3.364 3.892 ( 4.610 0.000 1.426) 4.826 3.929 ( 0.837 0.000 1.410) 1.640 3.939 ( 0.976 0.000 -2.714) 2.884 4.004 ( 1.962 0.000 0.133) 1.966 4.085 ( 3.694 0.000 1.194) 3.882 4.097 ( 2.397 0.000 1.850) 3.028 4.131 ( 1.710 0.000 -0.679) 1.840 4.214 ( -1.791 0.000 -0.814) 1.967 4.234 ( 4.380 0.000 3.781) 5.786 4.242 ( 2.902 0.000 -0.404) 2.930 4.277 ( -3.510 0.000 0.867) 3.615 4.348 ( 1.133 0.000 1.683) 2.029 4.358 ( -2.735 0.000 2.393) 3.634 4.413 ( 0.906 0.000 -1.378) 1.649 4.462 ( 1.422 0.000 -1.282) 1.914 4.542 ( -5.063 0.000 3.533) 6.174 4.616 ( 1.329 0.000 -4.310) 4.511 4.662 ( 0.299 0.000 0.338) 0.452 4.674 ( -1.348 0.000 -2.374) 2.730 4.806 ( 0.781 0.000 -3.549) 3.634 4.819 ( -3.858 0.000 1.385) 4.099 4.824 ( -2.298 0.000 2.587) 3.460 4.937 ( -4.010 0.000 1.399) 4.247 4.969 ( 0.562 0.000 -3.119) 3.169 5.038 ( 3.323 0.000 2.560) 4.195 5.303 ( 1.734 0.000 -4.129) 4.478 5.523 ( 0.764 0.000 0.710) 1.043 5.598 ( 1.404 0.000 -0.387) 1.456 5.707 ( 3.151 0.000 1.804) 3.630 5.751 ( 1.393 0.000 -2.061) 2.487 5.844 ( -1.101 0.000 2.656) 2.875 5.987 ( 0.123 0.000 -3.456) 3.459 6.135 ( -4.449 0.000 4.780) 6.530 6.468 ( -0.512 0.000 -8.788) 8.803 6.726 ( -2.522 0.000 1.165) 2.778 6.802 ( -2.006 0.000 -0.146) 2.011 7.169 ( 2.333 0.000 1.496) 2.771 7.230 ( -3.066 0.000 3.785) 4.871 7.290 ( 0.470 0.000 1.049) 1.150 7.459 ( 2.014 0.000 -1.378) 2.441 7.698 ( 2.223 0.000 3.365) 4.034 7.865 ( 0.020 0.000 -0.251) 0.252 7.865 ( 0.887 0.000 0.405) 0.975 7.967 ( 6.440 0.000 -3.573) 7.364 8.030 ( -3.309 0.000 4.874) 5.891 8.174 ( -0.460 0.000 1.702) 1.763 8.235 ( 0.524 0.000 -2.630) 2.682 8.312 ( 0.065 0.000 -4.343) 4.343 8.516 ( 1.368 0.000 -1.692) 2.176 8.520 ( -2.501 0.000 0.230) 2.511 ======================= Grid point 37 (15/40) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -8.256 0.000 7.705) 11.293 0.650 ( -12.847 0.000 2.352) 13.061 0.837 ( 5.335 0.000 4.281) 6.840 0.858 ( 3.349 0.000 7.603) 8.308 0.989 ( 0.141 0.000 -2.159) 2.163 1.028 ( 0.148 0.000 10.124) 10.125 1.103 ( 2.030 0.000 -2.878) 3.522 1.141 ( 5.137 0.000 -9.555) 10.849 1.237 ( 2.311 0.000 -3.965) 4.589 1.309 ( -0.625 0.000 -1.020) 1.196 1.347 ( -10.322 0.000 -1.634) 10.450 1.383 ( -3.934 0.000 -1.833) 4.340 1.478 ( -6.974 0.000 -1.216) 7.079 1.544 ( 0.876 0.000 4.778) 4.858 1.609 ( -2.362 0.000 5.511) 5.996 1.648 ( -2.455 0.000 8.079) 8.444 1.660 ( 6.602 0.000 6.649) 9.370 1.701 ( 2.415 0.000 -3.193) 4.003 1.712 ( 6.539 0.000 -2.297) 6.930 1.791 ( -2.523 0.000 1.791) 3.094 1.808 ( 0.219 0.000 0.488) 0.535 1.853 ( 1.594 0.000 0.565) 1.691 1.908 ( -0.779 0.000 3.307) 3.397 1.944 ( -2.515 0.000 -3.608) 4.398 1.949 ( 1.803 0.000 0.113) 1.807 2.032 ( 1.952 0.000 -7.202) 7.462 2.056 ( 2.421 0.000 -4.031) 4.702 2.076 ( -0.431 0.000 -7.144) 7.157 2.100 ( -1.082 0.000 -2.440) 2.669 2.167 ( -1.882 0.000 4.356) 4.745 2.187 ( 0.827 0.000 -3.697) 3.789 2.247 ( 3.669 0.000 -1.787) 4.082 2.303 ( -0.314 0.000 -0.615) 0.691 2.335 ( 0.596 0.000 -0.723) 0.937 2.379 ( -3.170 0.000 -0.919) 3.301 2.428 ( 0.583 0.000 -0.793) 0.984 2.524 ( 4.372 0.000 1.721) 4.699 2.550 ( 0.228 0.000 0.309) 0.384 2.628 ( -0.754 0.000 3.234) 3.321 2.710 ( 1.553 0.000 -4.889) 5.130 2.713 ( 2.030 0.000 1.549) 2.554 2.798 ( -4.945 0.000 3.570) 6.099 2.817 ( -0.833 0.000 -1.646) 1.844 2.853 ( -1.576 0.000 4.752) 5.006 2.898 ( 0.621 0.000 1.945) 2.041 2.906 ( 4.088 0.000 -0.863) 4.178 2.943 ( -0.711 0.000 -0.525) 0.884 2.956 ( -2.016 0.000 0.142) 2.021 2.991 ( 0.590 0.000 0.411) 0.719 3.013 ( 2.028 0.000 -2.731) 3.402 3.030 ( -0.495 0.000 0.090) 0.503 3.070 ( -0.209 0.000 -2.783) 2.791 3.130 ( -2.047 0.000 0.961) 2.262 3.151 ( 1.867 0.000 0.245) 1.883 3.173 ( -0.712 0.000 -0.490) 0.864 3.184 ( -0.372 0.000 -0.064) 0.377 3.228 ( -2.771 0.000 -3.084) 4.146 3.285 ( -0.889 0.000 -1.632) 1.858 3.361 ( -0.658 0.000 -1.929) 2.038 3.392 ( 1.523 0.000 1.083) 1.869 3.402 ( 0.780 0.000 -1.018) 1.282 3.421 ( 4.019 0.000 0.621) 4.067 3.485 ( -0.520 0.000 3.093) 3.136 3.541 ( -3.847 0.000 -1.143) 4.013 3.558 ( -0.531 0.000 3.169) 3.213 3.636 ( 0.714 0.000 5.089) 5.138 3.641 ( 0.013 0.000 1.705) 1.705 3.776 ( 1.791 0.000 -0.096) 1.794 3.822 ( -0.566 0.000 -2.123) 2.197 3.884 ( 0.870 0.000 0.263) 0.909 3.890 ( -1.967 0.000 -3.372) 3.904 3.951 ( 1.393 0.000 -0.439) 1.461 3.975 ( 1.810 0.000 2.743) 3.287 4.045 ( -0.774 0.000 3.764) 3.843 4.104 ( -1.723 0.000 -3.408) 3.819 4.142 ( -5.505 0.000 0.176) 5.508 4.160 ( -1.842 0.000 -0.690) 1.966 4.206 ( 1.576 0.000 1.072) 1.906 4.222 ( 6.630 0.000 0.689) 6.666 4.272 ( -0.718 0.000 -0.534) 0.894 4.308 ( -4.141 0.000 -1.786) 4.510 4.328 ( 1.790 0.000 1.645) 2.431 4.362 ( -0.885 0.000 5.512) 5.583 4.448 ( 3.835 0.000 0.885) 3.936 4.458 ( -3.250 0.000 2.230) 3.941 4.490 ( 1.504 0.000 -0.905) 1.755 4.640 ( 0.575 0.000 -3.147) 3.199 4.655 ( -1.269 0.000 -0.517) 1.371 4.676 ( 5.447 0.000 0.027) 5.447 4.764 ( -3.597 0.000 -0.857) 3.698 4.777 ( -1.486 0.000 1.943) 2.446 4.809 ( 0.541 0.000 -0.991) 1.129 4.894 ( -0.097 0.000 -0.528) 0.537 4.954 ( 0.012 0.000 -5.315) 5.315 5.104 ( 0.479 0.000 4.355) 4.381 5.293 ( 0.215 0.000 -1.502) 1.517 5.515 ( -1.036 0.000 -2.538) 2.742 5.566 ( -1.937 0.000 -3.369) 3.886 5.736 ( -1.581 0.000 2.120) 2.645 5.814 ( 2.860 0.000 1.373) 3.172 5.844 ( -0.990 0.000 2.328) 2.529 5.970 ( 0.925 0.000 -3.756) 3.868 6.120 ( -0.046 0.000 5.900) 5.900 6.457 ( 5.113 0.000 -7.064) 8.720 6.693 ( -1.275 0.000 0.837) 1.525 6.756 ( -1.880 0.000 -1.218) 2.240 7.185 ( -4.232 0.000 6.728) 7.948 7.200 ( -0.614 0.000 2.180) 2.264 7.330 ( 2.187 0.000 -0.512) 2.246 7.472 ( 0.713 0.000 -3.661) 3.730 7.783 ( 1.277 0.000 7.033) 7.148 7.869 ( 0.380 0.000 0.215) 0.436 7.891 ( 1.504 0.000 0.761) 1.686 7.966 ( -5.377 0.000 2.724) 6.027 7.978 ( -2.520 0.000 -2.612) 3.629 8.169 ( -0.924 0.000 1.380) 1.661 8.230 ( 1.122 0.000 -3.409) 3.589 8.301 ( 1.072 0.000 -2.860) 3.054 8.487 ( -0.061 0.000 -0.008) 0.062 8.565 ( 5.133 0.000 -4.715) 6.969 ======================= Grid point 38 (16/40) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -11.579 0.000 12.482) 17.026 0.454 ( -11.717 0.000 13.565) 17.925 0.779 ( -19.965 0.000 17.394) 26.479 0.909 ( 2.056 0.000 -5.538) 5.908 0.996 ( 1.897 0.000 -4.665) 5.036 1.097 ( 4.907 0.000 3.479) 6.015 1.149 ( -0.704 0.000 4.272) 4.330 1.176 ( 4.751 0.000 -4.290) 6.401 1.210 ( 2.135 0.000 -5.307) 5.720 1.296 ( 0.747 0.000 -2.352) 2.468 1.317 ( 4.604 0.000 -6.352) 7.845 1.341 ( 0.623 0.000 -1.139) 1.299 1.411 ( 1.273 0.000 1.203) 1.752 1.556 ( -2.606 0.000 4.941) 5.587 1.570 ( -4.722 0.000 5.127) 6.970 1.664 ( -1.687 0.000 -2.442) 2.968 1.692 ( 0.439 0.000 6.412) 6.427 1.753 ( -4.300 0.000 2.315) 4.884 1.765 ( -0.345 0.000 1.422) 1.464 1.814 ( 3.531 0.000 -1.008) 3.672 1.829 ( -0.703 0.000 5.712) 5.755 1.844 ( 1.249 0.000 -1.491) 1.945 1.879 ( 0.823 0.000 -1.666) 1.858 1.948 ( 3.232 0.000 -1.732) 3.667 2.008 ( 0.955 0.000 0.531) 1.093 2.035 ( 1.947 0.000 -1.360) 2.375 2.041 ( -1.042 0.000 1.722) 2.012 2.054 ( -1.461 0.000 -5.489) 5.680 2.130 ( 4.943 0.000 -2.581) 5.576 2.135 ( -0.644 0.000 -5.606) 5.643 2.183 ( 2.042 0.000 -0.463) 2.094 2.268 ( -3.638 0.000 1.735) 4.030 2.278 ( -0.889 0.000 -1.300) 1.575 2.304 ( 1.587 0.000 -4.395) 4.673 2.361 ( 0.194 0.000 -2.074) 2.083 2.427 ( -0.893 0.000 0.263) 0.931 2.543 ( -0.975 0.000 0.102) 0.980 2.553 ( -3.183 0.000 0.886) 3.304 2.635 ( 1.347 0.000 3.022) 3.309 2.706 ( 1.121 0.000 -4.901) 5.028 2.727 ( 1.038 0.000 0.022) 1.038 2.760 ( -1.690 0.000 -0.534) 1.773 2.812 ( -1.928 0.000 0.129) 1.933 2.872 ( 2.827 0.000 5.448) 6.138 2.924 ( 0.788 0.000 -2.455) 2.578 2.943 ( 1.051 0.000 4.080) 4.213 2.946 ( 0.952 0.000 1.043) 1.412 2.966 ( -1.883 0.000 -1.898) 2.673 2.987 ( 1.993 0.000 -1.909) 2.760 3.036 ( -2.391 0.000 2.008) 3.123 3.066 ( 2.651 0.000 -1.325) 2.964 3.079 ( 2.866 0.000 -3.174) 4.276 3.095 ( 3.805 0.000 -2.504) 4.556 3.131 ( -0.623 0.000 -1.412) 1.544 3.155 ( -0.065 0.000 -0.048) 0.081 3.192 ( -0.815 0.000 0.576) 0.998 3.266 ( 2.051 0.000 -1.265) 2.409 3.274 ( 3.245 0.000 5.191) 6.121 3.357 ( 1.960 0.000 -2.472) 3.155 3.400 ( -4.318 0.000 -1.787) 4.673 3.436 ( 2.305 0.000 4.028) 4.641 3.482 ( 3.926 0.000 -2.551) 4.682 3.503 ( -0.673 0.000 2.752) 2.833 3.535 ( 5.726 0.000 0.058) 5.727 3.566 ( -0.253 0.000 2.614) 2.627 3.687 ( 1.486 0.000 5.692) 5.883 3.690 ( 0.789 0.000 3.223) 3.318 3.729 ( -4.241 0.000 -3.669) 5.608 3.804 ( -0.416 0.000 -2.215) 2.253 3.810 ( -4.088 0.000 -1.735) 4.441 3.886 ( -2.067 0.000 1.011) 2.301 3.957 ( -0.076 0.000 -2.410) 2.411 3.975 ( -4.805 0.000 2.729) 5.526 4.035 ( -0.871 0.000 -1.348) 1.605 4.040 ( -2.429 0.000 4.285) 4.926 4.048 ( -0.633 0.000 -0.297) 0.699 4.137 ( 0.077 0.000 1.426) 1.428 4.164 ( -5.706 0.000 -1.734) 5.964 4.254 ( 0.900 0.000 0.790) 1.198 4.271 ( 0.057 0.000 -1.203) 1.205 4.331 ( -2.014 0.000 0.232) 2.027 4.345 ( -1.725 0.000 3.469) 3.874 4.351 ( 5.078 0.000 -0.253) 5.084 4.442 ( -0.623 0.000 0.261) 0.676 4.531 ( 2.452 0.000 0.959) 2.633 4.549 ( 1.912 0.000 1.709) 2.564 4.621 ( -1.409 0.000 -0.608) 1.535 4.657 ( 0.979 0.000 -1.857) 2.099 4.708 ( -1.756 0.000 -2.357) 2.939 4.715 ( 3.137 0.000 -1.894) 3.664 4.819 ( 0.647 0.000 -0.521) 0.831 4.827 ( 4.426 0.000 2.851) 5.265 4.903 ( 0.976 0.000 -1.186) 1.536 4.925 ( 1.551 0.000 -0.481) 1.624 5.106 ( -3.238 0.000 5.053) 6.002 5.260 ( -3.566 0.000 -7.290) 8.115 5.473 ( -1.346 0.000 1.013) 1.685 5.523 ( -0.338 0.000 -1.423) 1.462 5.693 ( -4.169 0.000 2.390) 4.806 5.831 ( -0.940 0.000 -0.981) 1.359 5.834 ( -0.547 0.000 1.577) 1.669 5.983 ( 2.157 0.000 -2.951) 3.655 6.174 ( 1.150 0.000 3.474) 3.659 6.547 ( 7.177 0.000 -9.563) 11.957 6.701 ( 1.253 0.000 3.352) 3.579 6.732 ( 0.755 0.000 0.720) 1.043 7.146 ( -3.314 0.000 5.489) 6.412 7.176 ( -2.959 0.000 1.724) 3.424 7.385 ( 3.817 0.000 2.057) 4.336 7.446 ( -0.873 0.000 -2.373) 2.528 7.775 ( -6.696 0.000 6.851) 9.580 7.853 ( -7.554 0.000 -6.452) 9.934 7.866 ( -2.380 0.000 0.622) 2.460 7.877 ( 0.122 0.000 0.141) 0.187 7.972 ( 2.929 0.000 2.986) 4.183 8.166 ( -0.277 0.000 1.365) 1.393 8.231 ( 0.912 0.000 -2.498) 2.659 8.307 ( 1.126 0.000 -2.196) 2.468 8.515 ( 2.367 0.000 -0.383) 2.398 8.636 ( 4.228 0.000 -5.820) 7.194 ======================= Grid point 39 (17/40) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.572 10.451 10.319) 14.698 0.492 ( -0.625 8.407 14.531) 16.799 0.849 ( -2.946 8.731 16.253) 18.684 0.959 ( 0.797 7.858 -4.981) 9.338 1.089 ( 1.013 3.932 -4.906) 6.368 1.125 ( 3.217 2.303 1.640) 4.283 1.185 ( -2.216 1.413 -3.880) 4.687 1.204 ( -4.046 5.325 0.344) 6.697 1.232 ( -0.312 2.023 -2.075) 2.914 1.314 ( -0.243 3.030 -5.113) 5.949 1.353 ( 1.179 -2.013 2.498) 3.418 1.373 ( 1.874 3.750 -3.202) 5.275 1.477 ( 0.027 -3.900 -0.008) 3.900 1.542 ( 1.533 0.630 1.236) 2.068 1.565 ( 1.006 1.671 4.852) 5.229 1.646 ( 0.659 1.650 2.801) 3.317 1.680 ( -0.900 -1.697 0.589) 2.009 1.698 ( -1.805 -4.762 3.508) 6.184 1.769 ( -0.156 -1.341 -0.066) 1.352 1.799 ( -1.581 -2.738 -4.378) 5.400 1.805 ( -3.872 -2.123 -1.124) 4.557 1.820 ( 0.795 -2.816 0.828) 3.041 1.846 ( 1.399 -1.780 -0.542) 2.327 1.917 ( 0.210 0.804 0.644) 1.052 1.988 ( 0.919 -1.501 -4.632) 4.955 2.009 ( -0.435 1.801 0.459) 1.908 2.070 ( 2.260 -1.955 3.209) 4.385 2.093 ( 1.412 3.704 -2.341) 4.603 2.130 ( -0.875 1.680 0.646) 2.002 2.162 ( 0.491 -0.532 -0.467) 0.861 2.245 ( -1.102 -1.072 -2.007) 2.528 2.272 ( 2.612 0.393 -0.008) 2.641 2.302 ( -0.002 -2.963 0.201) 2.970 2.309 ( 3.740 -0.191 -2.759) 4.652 2.336 ( 0.689 1.513 -2.468) 2.976 2.395 ( 0.205 0.334 0.058) 0.396 2.481 ( -4.014 -1.744 0.601) 4.418 2.557 ( -0.519 1.730 -1.257) 2.201 2.634 ( -4.447 -1.061 -0.908) 4.661 2.651 ( 1.722 -2.232 0.758) 2.919 2.691 ( -0.146 -3.730 -2.021) 4.245 2.766 ( 1.963 -1.344 -1.393) 2.757 2.811 ( 1.328 -1.291 2.812) 3.367 2.843 ( 0.224 -7.122 1.783) 7.345 2.895 ( -1.638 -0.692 1.777) 2.514 2.910 ( -1.477 -2.613 -0.653) 3.072 2.913 ( 0.515 -3.238 -1.957) 3.818 2.951 ( 0.963 -0.029 -2.700) 2.867 2.970 ( -0.108 -1.097 -1.170) 1.607 2.999 ( -1.163 1.207 -1.745) 2.420 3.087 ( 0.325 0.840 0.879) 1.259 3.102 ( 0.714 -0.757 -0.626) 1.215 3.110 ( 2.542 0.639 0.990) 2.802 3.189 ( 0.634 0.748 -2.655) 2.831 3.204 ( 1.632 -0.838 1.602) 2.436 3.227 ( -1.208 1.553 -0.121) 1.971 3.255 ( -1.914 0.451 0.577) 2.049 3.297 ( -0.297 -1.471 0.676) 1.645 3.344 ( -0.698 1.705 3.357) 3.829 3.435 ( 1.372 1.636 0.134) 2.139 3.454 ( -1.231 -0.836 0.855) 1.717 3.516 ( -2.033 1.634 2.389) 3.537 3.538 ( -0.369 -2.089 -0.604) 2.206 3.606 ( 1.581 2.385 0.608) 2.925 3.624 ( -0.327 0.011 1.425) 1.462 3.656 ( -3.866 0.511 0.534) 3.936 3.683 ( 2.002 1.702 1.335) 2.947 3.707 ( 2.381 0.655 0.867) 2.618 3.745 ( -2.788 0.987 -2.433) 3.830 3.823 ( 2.914 0.792 -0.119) 3.022 3.902 ( 0.172 5.617 0.765) 5.672 3.926 ( -1.862 1.763 0.552) 2.623 3.998 ( 2.512 1.090 -1.602) 3.173 4.019 ( -0.761 2.182 -3.101) 3.868 4.045 ( -1.131 -0.685 0.801) 1.546 4.090 ( 0.185 2.115 3.191) 3.833 4.097 ( 0.815 0.820 -0.599) 1.302 4.173 ( -1.321 1.010 2.006) 2.606 4.218 ( -0.758 -0.790 -1.663) 1.991 4.256 ( -1.873 -0.422 1.451) 2.406 4.284 ( 1.653 -2.963 2.531) 4.233 4.310 ( 0.982 0.658 0.367) 1.238 4.379 ( -2.484 3.839 -0.204) 4.577 4.442 ( -1.422 -1.044 -2.885) 3.381 4.480 ( -0.951 1.232 -2.647) 3.070 4.583 ( 1.751 -0.928 -0.037) 1.982 4.602 ( -2.873 -0.859 2.028) 3.620 4.634 ( -1.073 -1.673 -1.055) 2.251 4.705 ( 1.048 -2.146 -0.394) 2.421 4.795 ( -0.605 -0.549 -2.684) 2.805 4.805 ( 2.223 -0.442 0.152) 2.272 4.885 ( -0.298 0.039 0.400) 0.500 4.918 ( 4.325 -0.513 1.405) 4.576 4.982 ( -7.036 -3.143 -0.385) 7.716 5.051 ( -1.316 -2.068 1.465) 2.856 5.107 ( 7.801 -4.525 -0.085) 9.018 5.482 ( -0.086 -0.470 3.848) 3.878 5.565 ( 2.558 0.863 0.723) 2.795 5.677 ( 1.962 3.117 1.582) 4.009 5.822 ( -1.805 3.091 -3.608) 5.082 5.864 ( -0.524 2.062 2.093) 2.984 6.001 ( 0.054 0.248 -2.571) 2.584 6.203 ( -1.797 1.936 2.737) 3.804 6.479 ( -1.001 -5.578 -6.687) 8.766 6.750 ( 0.140 2.990 2.781) 4.086 6.890 ( 6.264 2.363 0.575) 6.720 7.106 ( -2.954 0.875 1.691) 3.514 7.236 ( 4.855 2.820 -3.745) 6.750 7.417 ( 1.939 -0.846 0.510) 2.176 7.441 ( -9.185 1.899 -0.320) 9.385 7.731 ( -5.397 2.793 -0.140) 6.079 7.796 ( 9.428 2.643 -2.910) 10.215 7.862 ( 0.852 0.969 0.157) 1.300 7.876 ( -0.278 0.127 -0.263) 0.403 8.012 ( 0.447 -1.743 4.108) 4.484 8.161 ( -0.760 -1.308 0.750) 1.688 8.222 ( 0.583 -1.262 -0.885) 1.648 8.277 ( 0.960 -3.095 -1.386) 3.524 8.484 ( -1.447 -4.670 1.378) 5.079 8.553 ( -3.041 -2.722 -0.841) 4.167 ======================= Grid point 40 (18/40) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 5.895 8.441 11.181) 15.199 0.647 ( 9.170 7.348 7.162) 13.761 0.884 ( -2.323 -0.619 -0.318) 2.425 0.948 ( -9.005 4.565 2.463) 10.392 0.995 ( -2.453 2.920 7.764) 8.650 1.084 ( -2.742 2.930 -7.202) 8.245 1.124 ( -4.021 3.021 0.403) 5.046 1.139 ( 2.511 4.191 -10.877) 11.923 1.261 ( -1.749 2.667 -0.119) 3.192 1.304 ( 5.684 2.026 4.100) 7.295 1.392 ( 2.421 4.705 1.118) 5.409 1.418 ( 1.551 -1.857 2.882) 3.763 1.467 ( 2.032 -3.773 -1.038) 4.410 1.561 ( -5.549 -4.897 2.215) 7.726 1.594 ( -3.972 1.166 3.537) 5.445 1.625 ( -1.380 0.993 3.128) 3.560 1.668 ( 1.995 -0.103 -1.381) 2.429 1.710 ( -0.832 0.503 -0.165) 0.986 1.713 ( -2.269 -0.837 0.741) 2.529 1.750 ( 1.064 0.441 -3.647) 3.824 1.813 ( 3.247 -1.974 2.243) 4.413 1.826 ( -1.074 -2.318 0.767) 2.667 1.889 ( 2.253 0.426 -0.857) 2.448 1.925 ( 0.565 1.846 -1.168) 2.256 1.984 ( 1.730 1.496 -2.807) 3.621 1.995 ( -0.605 -1.453 -2.077) 2.606 2.083 ( -0.512 0.914 -3.524) 3.676 2.137 ( 0.164 -1.010 1.039) 1.459 2.154 ( -1.739 -0.323 -0.765) 1.927 2.166 ( 1.140 0.282 0.078) 1.177 2.179 ( -0.578 0.449 -1.275) 1.470 2.235 ( -0.129 0.361 -1.627) 1.671 2.298 ( -0.291 0.767 -2.389) 2.526 2.364 ( 1.402 -3.655 -1.252) 4.110 2.384 ( 0.052 -1.568 -1.144) 1.941 2.394 ( -0.339 -0.508 0.760) 0.975 2.429 ( 1.086 0.131 0.544) 1.222 2.545 ( 0.110 -0.518 1.510) 1.600 2.584 ( 0.298 -1.896 -0.117) 1.923 2.655 ( -1.931 -2.611 2.522) 4.111 2.702 ( 1.860 -0.075 -1.857) 2.629 2.773 ( -1.711 -1.910 0.469) 2.607 2.804 ( -2.068 -4.632 0.783) 5.133 2.841 ( 0.330 -2.414 0.605) 2.510 2.866 ( -1.455 0.772 1.057) 1.957 2.885 ( 0.834 -3.875 -2.618) 4.750 2.929 ( 1.353 -1.148 -0.370) 1.813 2.963 ( 1.315 -1.348 -1.173) 2.219 3.001 ( 1.832 -0.437 -1.706) 2.541 3.010 ( 2.560 0.694 0.604) 2.720 3.069 ( -3.423 -2.087 -1.984) 4.473 3.113 ( 1.188 -0.503 0.165) 1.301 3.136 ( -3.008 -0.900 0.611) 3.199 3.147 ( 0.473 1.576 -2.840) 3.282 3.182 ( -0.005 3.271 1.963) 3.814 3.224 ( -1.452 2.184 1.857) 3.214 3.266 ( -1.899 0.391 0.162) 1.945 3.314 ( 1.792 0.657 1.193) 2.250 3.329 ( 1.032 0.095 -1.487) 1.812 3.410 ( -1.180 2.569 -0.291) 2.842 3.435 ( -3.623 1.135 2.340) 4.460 3.485 ( -3.424 -0.285 2.393) 4.187 3.513 ( -1.193 2.200 -1.046) 2.713 3.553 ( -3.510 0.442 2.470) 4.314 3.604 ( -0.895 -0.259 1.254) 1.562 3.622 ( -0.330 0.801 -0.602) 1.055 3.678 ( -1.015 1.642 0.828) 2.101 3.738 ( 0.873 0.900 -1.134) 1.691 3.815 ( 2.771 -0.730 0.450) 2.901 3.866 ( 2.522 0.766 -1.980) 3.296 3.912 ( 0.192 2.076 0.195) 2.094 3.956 ( 1.680 2.151 -1.076) 2.934 3.997 ( 2.040 5.220 -1.282) 5.749 4.025 ( 1.179 1.666 0.563) 2.117 4.067 ( 2.015 -0.069 1.242) 2.368 4.112 ( 0.645 0.467 -0.194) 0.820 4.143 ( 3.459 2.414 2.264) 4.787 4.197 ( 2.297 -2.113 0.708) 3.200 4.231 ( 1.623 -1.793 2.259) 3.309 4.238 ( 0.118 0.487 -0.638) 0.812 4.292 ( -1.850 0.947 -0.335) 2.105 4.351 ( -0.218 2.003 -0.072) 2.016 4.367 ( 1.290 -1.182 4.148) 4.502 4.402 ( 0.671 0.616 -1.480) 1.738 4.492 ( 1.380 1.951 -0.704) 2.491 4.529 ( -3.203 -2.754 -1.299) 4.419 4.571 ( -1.249 -0.864 -0.331) 1.554 4.636 ( 0.045 -0.387 1.979) 2.017 4.713 ( -0.092 -1.639 -0.737) 1.799 4.750 ( -3.512 -1.538 -1.808) 4.239 4.806 ( -2.004 -2.134 1.986) 3.537 4.828 ( -2.753 -1.383 -0.878) 3.204 4.917 ( 0.157 -2.282 -3.002) 3.774 4.969 ( -1.393 1.751 0.156) 2.243 5.038 ( 2.022 -1.085 1.987) 3.036 5.223 ( 2.912 -6.760 -2.115) 7.658 5.491 ( -0.638 -2.599 1.554) 3.095 5.599 ( 0.228 -0.435 -0.140) 0.511 5.754 ( 1.855 3.830 -0.398) 4.274 5.785 ( 2.233 2.757 -1.930) 4.039 5.871 ( -0.133 2.893 2.515) 3.836 5.995 ( 0.753 0.869 -2.495) 2.747 6.164 ( -3.175 3.170 4.532) 6.377 6.424 ( -0.263 -3.041 -5.125) 5.966 6.760 ( -0.286 3.721 0.703) 3.798 6.909 ( -3.800 7.779 -3.200) 9.230 7.114 ( 2.369 -3.133 3.031) 4.962 7.286 ( 0.044 2.126 -2.907) 3.601 7.302 ( -2.722 1.598 3.099) 4.424 7.455 ( 1.197 -0.290 0.037) 1.232 7.694 ( 1.381 -0.120 2.514) 2.871 7.863 ( 0.648 0.069 0.222) 0.688 7.872 ( 0.190 0.324 -0.019) 0.376 7.964 ( 6.020 -0.397 -3.254) 6.855 8.003 ( -3.774 -2.537 3.575) 5.785 8.154 ( -0.092 -2.445 0.209) 2.455 8.219 ( -0.177 -1.281 -1.410) 1.913 8.278 ( 0.153 -2.328 -2.061) 3.113 8.467 ( 0.005 -3.317 -0.200) 3.323 8.520 ( -0.227 -1.276 0.150) 1.305 ======================= Grid point 41 (19/40) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -9.752 3.424 1.374) 10.427 0.719 ( -10.332 8.628 4.576) 14.217 0.853 ( 5.216 0.381 6.741) 8.532 0.892 ( 3.983 6.378 5.058) 9.063 0.986 ( 0.635 1.117 -1.798) 2.210 1.067 ( 2.241 3.440 6.494) 7.683 1.137 ( 3.423 2.290 -4.995) 6.474 1.173 ( 5.807 1.746 -6.672) 9.016 1.221 ( -0.243 0.938 -0.385) 1.043 1.291 ( -3.491 -1.527 -2.890) 4.782 1.385 ( -7.375 2.822 0.237) 7.900 1.399 ( -2.455 0.891 -4.678) 5.357 1.480 ( -5.359 -1.762 -0.145) 5.643 1.543 ( -2.224 0.264 4.676) 5.185 1.565 ( 2.756 -3.487 2.189) 4.955 1.573 ( -0.353 -1.105 4.500) 4.647 1.698 ( 2.079 2.880 4.027) 5.369 1.726 ( 3.662 1.277 1.636) 4.209 1.763 ( 0.919 0.146 -0.203) 0.952 1.785 ( 0.846 -0.141 2.687) 2.820 1.804 ( 0.665 0.611 -0.691) 1.137 1.875 ( -0.685 -1.232 2.825) 3.157 1.886 ( -0.021 1.905 -1.920) 2.705 1.933 ( -0.807 -1.093 -4.133) 4.350 1.956 ( 0.939 0.033 0.197) 0.960 2.023 ( 1.925 -1.439 -3.359) 4.130 2.039 ( -0.267 -0.282 -1.054) 1.124 2.081 ( -1.136 -0.777 -6.215) 6.365 2.108 ( -0.329 1.282 -2.694) 3.001 2.159 ( -0.551 -0.521 2.819) 2.919 2.198 ( 0.442 0.502 -2.327) 2.422 2.273 ( 0.182 -1.518 0.886) 1.767 2.281 ( 1.078 1.342 -1.847) 2.525 2.336 ( -2.090 -2.805 0.439) 3.526 2.346 ( -0.286 -0.157 -1.396) 1.434 2.434 ( 1.193 0.013 -2.045) 2.367 2.493 ( 4.055 -2.067 2.452) 5.169 2.582 ( 1.217 -2.330 2.482) 3.615 2.601 ( 0.932 0.571 -1.150) 1.587 2.658 ( -0.454 -2.814 4.894) 5.664 2.700 ( -0.451 -0.760 -1.178) 1.473 2.730 ( -2.255 -3.842 2.319) 5.022 2.802 ( 1.961 -0.662 0.571) 2.147 2.826 ( -0.531 -1.654 -2.366) 2.936 2.865 ( -1.121 -2.562 -3.010) 4.109 2.886 ( 0.338 -3.148 -0.292) 3.180 2.956 ( 1.734 1.309 -0.540) 2.239 2.986 ( -0.929 0.801 1.218) 1.728 3.007 ( 0.203 -2.004 0.990) 2.245 3.028 ( 1.601 -2.122 -0.963) 2.827 3.046 ( 1.446 3.356 1.232) 3.856 3.091 ( -2.386 1.203 -1.816) 3.231 3.115 ( 0.456 -0.452 -0.488) 0.807 3.142 ( -0.317 1.001 -1.425) 1.770 3.175 ( -0.052 2.112 0.103) 2.115 3.208 ( -0.638 2.729 0.335) 2.822 3.252 ( -2.298 1.908 -1.900) 3.540 3.285 ( -1.260 -0.053 -2.213) 2.547 3.338 ( 0.611 -1.633 -0.470) 1.806 3.405 ( -1.369 1.460 -0.880) 2.187 3.417 ( 0.336 -0.564 -1.544) 1.678 3.449 ( 1.864 3.313 2.724) 4.676 3.465 ( 0.059 -0.732 3.527) 3.602 3.566 ( -1.610 1.201 1.646) 2.596 3.581 ( -0.533 2.785 -0.669) 2.913 3.637 ( 1.547 0.080 3.618) 3.936 3.673 ( -0.266 1.676 2.242) 2.811 3.767 ( 0.981 -1.408 -0.873) 1.926 3.830 ( -0.348 0.868 -0.258) 0.970 3.878 ( 0.205 -0.301 -0.451) 0.580 3.915 ( -2.075 2.007 -3.838) 4.802 3.942 ( 2.360 1.631 -0.445) 2.903 4.035 ( -0.044 3.266 1.430) 3.565 4.064 ( 0.374 -0.038 1.162) 1.221 4.096 ( -0.353 0.526 1.083) 1.255 4.108 ( -0.788 -0.613 0.453) 1.096 4.161 ( -1.418 -0.298 0.206) 1.464 4.215 ( -2.860 2.311 -2.276) 4.324 4.236 ( -0.702 -2.421 -0.237) 2.532 4.273 ( 4.716 2.030 0.869) 5.208 4.309 ( -3.387 0.436 -0.055) 3.415 4.345 ( 0.624 1.847 0.989) 2.186 4.381 ( -0.536 0.771 3.591) 3.712 4.423 ( 3.349 -1.898 0.287) 3.860 4.483 ( -0.969 2.120 1.835) 2.966 4.528 ( 1.378 3.273 0.825) 3.646 4.591 ( 2.043 -2.230 0.759) 3.118 4.652 ( 1.237 -1.280 -0.612) 1.882 4.673 ( -1.790 -3.443 -0.314) 3.894 4.730 ( 2.170 -2.148 2.189) 3.757 4.750 ( -2.777 -0.934 -1.353) 3.227 4.811 ( 0.512 -0.543 -0.935) 1.196 4.897 ( -0.336 -2.416 -3.767) 4.487 4.928 ( -0.867 0.309 -3.435) 3.556 5.087 ( 0.279 -1.787 3.573) 4.005 5.232 ( -0.057 -5.693 -1.687) 5.938 5.476 ( -1.303 -3.217 -0.206) 3.477 5.561 ( -1.966 -1.182 -3.363) 4.071 5.755 ( -1.892 2.100 0.523) 2.874 5.837 ( 2.613 1.496 -0.004) 3.012 5.877 ( -0.994 3.580 2.456) 4.454 5.998 ( 1.381 2.493 -2.323) 3.677 6.175 ( -0.088 5.857 5.772) 8.223 6.423 ( 3.729 -2.107 -3.765) 5.703 6.749 ( -0.412 4.765 -1.668) 5.065 6.816 ( -2.605 5.096 -2.401) 6.207 7.151 ( -0.934 -1.519 3.404) 3.843 7.232 ( -3.340 0.695 1.796) 3.855 7.334 ( 2.637 0.671 0.368) 2.745 7.465 ( 1.034 -0.719 -2.470) 2.772 7.771 ( 1.726 -1.379 6.371) 6.743 7.872 ( 0.352 0.179 0.207) 0.446 7.885 ( 0.918 -0.411 0.130) 1.015 7.926 ( -5.060 -3.131 0.594) 5.980 7.989 ( -1.624 0.197 -1.545) 2.250 8.159 ( 0.636 -1.804 -0.469) 1.970 8.208 ( 0.361 -1.756 -1.628) 2.422 8.272 ( 0.479 -2.090 -1.537) 2.638 8.459 ( -0.088 -2.072 0.039) 2.074 8.555 ( 3.553 -1.192 -1.924) 4.212 ======================= Grid point 42 (20/40) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -9.405 7.800 9.409) 15.421 0.532 ( -11.537 6.945 8.546) 15.949 0.892 ( -4.124 3.472 5.357) 7.600 0.977 ( -1.887 11.752 1.570) 12.005 1.036 ( -0.351 4.591 -1.544) 4.856 1.105 ( 6.031 1.136 6.091) 8.646 1.167 ( 0.518 -0.492 -2.393) 2.497 1.196 ( 1.323 3.134 -4.141) 5.359 1.239 ( 2.221 3.422 -3.185) 5.175 1.296 ( 5.927 0.870 -1.826) 6.263 1.325 ( 2.333 0.431 -2.058) 3.141 1.347 ( -0.518 2.339 -1.994) 3.117 1.437 ( 2.052 0.038 0.213) 2.064 1.530 ( -2.483 -0.425 2.936) 3.869 1.594 ( 0.500 0.818 4.038) 4.150 1.626 ( 0.169 -3.651 0.822) 3.747 1.693 ( -4.721 -1.364 1.176) 5.053 1.732 ( -3.391 0.521 2.796) 4.426 1.769 ( 0.782 -1.571 0.206) 1.767 1.797 ( 0.986 -3.004 1.089) 3.344 1.811 ( -0.855 0.667 -0.986) 1.466 1.844 ( -1.741 0.337 0.813) 1.951 1.870 ( -0.455 -1.330 -2.636) 2.987 1.930 ( 1.890 -1.702 -0.077) 2.545 1.997 ( 1.957 -2.807 -2.770) 4.403 2.019 ( -1.279 -1.736 1.510) 2.632 2.032 ( -1.108 1.731 -0.260) 2.072 2.075 ( 2.274 1.352 -1.420) 3.003 2.125 ( 3.138 -0.046 -1.880) 3.659 2.154 ( -0.638 1.691 -0.968) 2.050 2.203 ( 2.910 -0.092 -0.939) 3.059 2.256 ( -3.011 -1.110 1.764) 3.662 2.274 ( 0.699 -0.494 -1.732) 1.932 2.314 ( 0.372 -0.641 -2.096) 2.223 2.356 ( 0.960 1.236 -1.883) 2.449 2.421 ( -1.377 -0.638 -0.721) 1.680 2.549 ( -2.522 -0.433 1.069) 2.774 2.568 ( -0.349 0.254 -1.249) 1.322 2.620 ( 0.696 -0.104 0.336) 0.779 2.675 ( 2.340 -5.027 2.371) 6.031 2.706 ( -0.050 -1.143 0.274) 1.176 2.739 ( 0.472 -1.235 -1.076) 1.704 2.778 ( -1.420 -3.554 -1.759) 4.212 2.834 ( -1.169 -1.524 0.884) 2.114 2.868 ( 2.451 -2.644 -0.521) 3.643 2.897 ( 2.317 -3.612 2.339) 4.888 2.952 ( -1.835 -1.333 -0.546) 2.333 2.963 ( -1.112 0.523 -1.307) 1.794 2.998 ( 0.014 -0.998 -2.336) 2.540 3.051 ( -0.118 2.878 -0.816) 2.994 3.061 ( -1.435 2.226 -0.086) 2.650 3.082 ( 1.222 -0.511 -0.767) 1.531 3.116 ( -0.031 0.161 -1.059) 1.072 3.155 ( 0.697 0.313 0.164) 0.782 3.187 ( 0.429 -0.270 0.200) 0.545 3.199 ( 4.195 4.579 -0.928) 6.280 3.235 ( 1.252 -2.536 0.431) 2.861 3.278 ( 2.169 0.109 3.602) 4.205 3.374 ( -4.322 -0.457 1.444) 4.580 3.387 ( 1.952 1.239 -2.917) 3.722 3.418 ( 4.235 -2.160 0.887) 4.836 3.500 ( 1.486 0.821 -0.395) 1.743 3.521 ( -0.416 3.554 2.651) 4.453 3.542 ( 3.671 0.097 1.706) 4.049 3.597 ( 0.667 2.437 0.344) 2.550 3.678 ( -1.100 0.510 3.499) 3.703 3.710 ( -1.023 -0.123 -0.291) 1.071 3.739 ( 1.266 0.848 1.085) 1.871 3.801 ( -3.199 0.646 -1.433) 3.565 3.815 ( -3.493 -0.108 -2.130) 4.093 3.902 ( 0.687 1.666 0.403) 1.847 3.978 ( -1.196 2.311 -1.052) 2.807 4.004 ( -0.814 3.404 -0.738) 3.577 4.034 ( -3.164 -0.179 -0.596) 3.224 4.074 ( -0.696 1.607 0.791) 1.921 4.083 ( -1.687 2.612 2.108) 3.757 4.138 ( -4.847 -1.010 -0.852) 5.024 4.179 ( -0.715 2.691 1.210) 3.036 4.202 ( 1.814 -2.817 3.417) 4.786 4.242 ( -0.512 -1.917 -1.851) 2.713 4.319 ( -0.741 0.516 -1.195) 1.497 4.342 ( -3.366 -0.911 1.791) 3.920 4.396 ( 1.195 2.370 0.473) 2.696 4.463 ( -0.484 1.455 -0.234) 1.551 4.529 ( 2.698 0.752 1.388) 3.126 4.560 ( -0.467 0.303 -0.156) 0.579 4.602 ( -0.370 -3.586 0.159) 3.609 4.630 ( 0.149 -0.584 1.220) 1.361 4.707 ( 1.133 -1.404 -0.744) 1.951 4.730 ( 3.562 1.201 -1.997) 4.256 4.815 ( 0.972 0.598 -1.886) 2.204 4.833 ( 4.638 -0.488 2.090) 5.111 4.863 ( 0.334 -3.729 -2.832) 4.694 4.921 ( 2.844 -0.578 -0.171) 2.907 5.083 ( -3.258 -2.251 3.807) 5.493 5.181 ( -4.374 -6.179 -4.212) 8.664 5.456 ( -0.432 -1.324 2.267) 2.660 5.525 ( 0.509 0.012 -1.111) 1.222 5.699 ( -3.645 1.624 1.469) 4.252 5.855 ( -0.377 2.524 -0.146) 2.556 5.873 ( -0.869 2.986 0.411) 3.137 6.013 ( 0.922 2.122 -2.179) 3.178 6.197 ( -0.158 2.781 2.927) 4.041 6.496 ( 4.153 -3.784 -4.522) 7.212 6.737 ( 0.019 3.891 -0.551) 3.930 6.791 ( 1.679 3.543 0.219) 3.926 7.138 ( -2.126 -0.131 3.480) 4.080 7.197 ( -0.099 1.134 -0.545) 1.262 7.384 ( 1.809 -0.254 -0.125) 1.831 7.493 ( 3.120 3.387 -0.263) 4.612 7.759 ( -6.342 -1.374 4.138) 7.696 7.846 ( -2.185 -0.279 -1.811) 2.852 7.878 ( -0.968 0.306 0.037) 1.016 7.881 ( -1.966 0.461 -0.751) 2.154 7.961 ( 1.991 -0.841 0.223) 2.173 8.164 ( -0.152 -0.453 0.717) 0.861 8.213 ( 0.872 -1.717 -1.137) 2.236 8.273 ( 0.379 -2.578 -1.097) 2.828 8.475 ( 1.279 -3.350 0.024) 3.585 8.598 ( 1.115 -3.096 -2.133) 3.921 ======================= Grid point 43 (21/40) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.079 10.648 9.431) 14.225 0.692 ( 3.187 12.309 2.572) 12.973 0.950 ( -1.760 5.713 4.273) 7.348 1.105 ( -2.309 2.369 -2.365) 4.066 1.149 ( -1.603 2.704 -2.340) 3.919 1.199 ( 3.223 2.670 2.591) 4.922 1.241 ( 2.004 6.150 -5.938) 8.781 1.261 ( -0.642 1.673 0.149) 1.798 1.307 ( 0.303 0.885 -5.077) 5.163 1.350 ( -5.955 2.148 0.347) 6.340 1.373 ( 2.727 -1.170 -1.869) 3.507 1.427 ( 2.703 -0.452 1.272) 3.021 1.435 ( -2.297 5.470 -1.088) 6.031 1.541 ( -2.492 4.126 -0.057) 4.821 1.583 ( 1.038 -3.268 0.099) 3.430 1.601 ( 1.784 -1.569 1.526) 2.823 1.659 ( 4.268 -2.013 -0.480) 4.743 1.679 ( -2.607 -0.162 1.976) 3.275 1.729 ( 0.332 -3.023 -2.835) 4.158 1.745 ( 0.685 -1.686 2.888) 3.414 1.750 ( -3.418 -1.742 -1.269) 4.041 1.810 ( -1.907 1.213 0.357) 2.289 1.848 ( 1.999 1.915 -0.474) 2.809 1.938 ( 2.670 1.524 5.740) 6.512 1.945 ( -1.347 -1.443 0.115) 1.978 2.005 ( -1.017 -2.193 -2.547) 3.512 2.021 ( 1.934 -2.995 1.990) 4.082 2.116 ( 1.058 -1.349 2.001) 2.635 2.171 ( -0.001 0.069 2.216) 2.217 2.180 ( -0.926 1.962 0.274) 2.187 2.191 ( -0.176 -2.252 0.002) 2.258 2.245 ( 1.049 -1.430 0.182) 1.783 2.276 ( -0.495 -0.200 0.900) 1.047 2.308 ( 0.905 -0.684 -2.202) 2.477 2.372 ( 0.949 -0.348 -1.882) 2.136 2.380 ( 2.192 -1.439 -1.635) 3.090 2.448 ( -3.408 -0.011 -0.143) 3.411 2.546 ( 0.844 -1.836 -3.484) 4.028 2.616 ( -2.642 -1.816 0.797) 3.304 2.641 ( -0.598 0.350 2.033) 2.147 2.647 ( -0.635 -0.700 -0.541) 1.089 2.723 ( -0.983 -2.150 0.838) 2.508 2.760 ( 3.314 -1.997 0.590) 3.913 2.787 ( -1.335 -6.233 -2.385) 6.806 2.808 ( -0.318 1.613 0.938) 1.893 2.887 ( -0.620 -0.289 -1.939) 2.056 2.909 ( -1.085 -0.070 0.020) 1.087 2.948 ( 0.875 -0.969 -4.569) 4.752 2.966 ( -1.106 -0.686 0.232) 1.322 2.992 ( -0.297 -2.462 -0.914) 2.643 3.075 ( 0.855 2.813 -1.561) 3.329 3.094 ( 0.358 0.287 -0.683) 0.822 3.143 ( -2.252 -4.050 -1.732) 4.947 3.184 ( 3.103 3.491 0.549) 4.702 3.197 ( 3.255 -3.649 0.458) 4.911 3.212 ( 2.271 -0.879 2.724) 3.654 3.265 ( -0.925 3.145 -0.027) 3.278 3.297 ( -1.610 0.612 2.988) 3.449 3.375 ( -4.288 -0.931 2.523) 5.061 3.436 ( 1.680 1.845 1.843) 3.102 3.468 ( 2.174 0.744 -2.041) 3.074 3.508 ( 0.695 -1.356 -1.595) 2.206 3.563 ( -3.425 3.033 2.249) 5.098 3.601 ( -2.205 -0.734 1.476) 2.753 3.627 ( 0.227 -1.463 0.255) 1.502 3.678 ( -2.165 0.778 0.872) 2.460 3.721 ( 5.661 1.550 -1.620) 6.089 3.754 ( 0.313 2.905 0.619) 2.986 3.765 ( -0.751 1.270 -1.007) 1.786 3.827 ( 0.045 -0.657 0.616) 0.902 3.946 ( 1.140 -0.305 0.939) 1.508 3.988 ( -0.480 2.074 0.614) 2.215 4.013 ( -0.656 3.518 -0.451) 3.607 4.040 ( 0.869 1.682 -1.148) 2.214 4.082 ( 0.262 2.168 0.288) 2.202 4.108 ( 0.484 0.899 -0.311) 1.067 4.152 ( -0.901 0.760 1.578) 1.970 4.176 ( 0.368 2.381 -0.152) 2.414 4.222 ( -0.739 0.862 2.346) 2.606 4.255 ( 0.052 0.075 0.707) 0.713 4.263 ( -1.591 1.804 0.717) 2.510 4.321 ( 0.813 0.296 0.369) 0.941 4.411 ( -0.443 -2.168 -1.893) 2.912 4.451 ( -0.990 2.973 -1.151) 3.338 4.508 ( 0.971 1.136 -1.700) 2.263 4.544 ( -2.432 -3.233 -4.077) 5.744 4.578 ( -1.726 0.762 2.667) 3.267 4.639 ( 0.524 0.629 2.391) 2.527 4.657 ( -0.283 -1.178 1.244) 1.736 4.764 ( -0.018 -2.949 -2.792) 4.061 4.782 ( -0.377 -2.255 -1.254) 2.607 4.848 ( 0.238 -3.871 -0.015) 3.879 4.898 ( 1.206 -2.079 1.009) 2.606 4.953 ( 1.600 -1.230 -1.275) 2.387 4.981 ( -0.247 -2.844 1.924) 3.442 5.058 ( 0.842 -1.300 -0.944) 1.814 5.486 ( -0.466 0.965 2.543) 2.759 5.567 ( 2.194 -0.456 0.412) 2.279 5.745 ( 2.847 3.798 1.228) 4.902 5.871 ( -1.463 1.433 -3.736) 4.261 5.918 ( -0.432 3.317 1.311) 3.593 6.008 ( -0.415 0.385 -1.456) 1.563 6.251 ( -1.490 2.977 3.332) 4.710 6.387 ( -2.760 -3.630 -0.226) 4.566 6.812 ( 0.623 2.882 1.502) 3.309 6.897 ( 4.659 -0.634 2.129) 5.161 7.143 ( -1.178 2.244 -0.777) 2.651 7.264 ( 4.438 -0.179 -5.475) 7.050 7.409 ( 1.297 0.604 1.548) 2.108 7.465 ( -6.643 0.527 0.557) 6.687 7.772 ( -1.819 1.881 -0.002) 2.617 7.839 ( 3.022 1.339 -3.443) 4.773 7.878 ( -0.203 0.200 0.034) 0.287 7.881 ( 1.677 0.708 -0.214) 1.833 7.985 ( 1.733 -0.506 0.238) 1.821 8.111 ( -1.026 -3.720 -1.673) 4.206 8.207 ( 0.070 -0.162 0.691) 0.713 8.236 ( 1.046 -1.480 -1.234) 2.192 8.407 ( -1.925 -3.056 3.002) 4.696 8.487 ( -2.366 -3.995 0.297) 4.653 ======================= Grid point 44 (22/40) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.443 5.211 6.984) 9.050 0.828 ( 5.697 9.229 2.508) 11.132 0.940 ( -1.830 7.474 2.429) 8.069 1.012 ( -7.057 2.828 0.766) 7.642 1.063 ( -1.143 2.308 -0.882) 2.722 1.150 ( -2.896 3.747 -3.245) 5.741 1.191 ( -5.369 2.992 -1.303) 6.283 1.231 ( -0.983 5.255 -8.846) 10.336 1.325 ( -0.592 1.324 0.713) 1.616 1.342 ( 1.787 -3.488 2.165) 4.477 1.353 ( -0.307 4.116 0.635) 4.176 1.381 ( -1.095 -4.222 -2.144) 4.860 1.466 ( 0.289 -2.045 0.243) 2.079 1.511 ( -0.932 2.862 1.025) 3.180 1.595 ( -0.874 -2.583 0.157) 2.731 1.622 ( 0.790 -0.423 2.079) 2.264 1.665 ( -0.675 -1.651 0.233) 1.799 1.704 ( 0.138 1.486 1.886) 2.405 1.740 ( 2.829 0.907 0.129) 2.974 1.756 ( 2.198 1.201 1.079) 2.727 1.778 ( 0.449 -1.484 0.612) 1.666 1.813 ( 2.216 1.148 0.607) 2.568 1.894 ( 2.472 0.596 -0.804) 2.667 1.927 ( 0.621 -0.680 -3.810) 3.920 1.974 ( 1.327 -0.956 -0.995) 1.914 2.022 ( -1.273 1.969 3.197) 3.965 2.054 ( 0.732 -5.190 2.684) 5.889 2.097 ( -2.797 -0.135 -0.996) 2.972 2.140 ( -1.343 -2.689 -0.343) 3.025 2.162 ( -4.850 -0.455 -1.024) 4.978 2.213 ( 0.758 1.826 1.293) 2.363 2.224 ( 2.448 -0.176 -0.735) 2.562 2.292 ( -2.044 -2.677 0.506) 3.405 2.296 ( 0.408 -2.111 0.023) 2.150 2.374 ( 0.917 0.993 -2.686) 3.007 2.407 ( -1.325 1.018 0.116) 1.675 2.421 ( 2.689 -0.131 -1.632) 3.148 2.529 ( -0.486 1.417 -2.342) 2.780 2.573 ( 0.982 -0.331 3.229) 3.391 2.653 ( -0.899 0.826 1.740) 2.126 2.670 ( 1.527 -2.826 0.327) 3.229 2.737 ( 0.631 -2.260 1.419) 2.742 2.751 ( -0.908 -7.435 0.250) 7.494 2.780 ( -1.241 1.500 -0.486) 2.006 2.814 ( 0.029 -2.511 0.389) 2.541 2.854 ( -0.114 -0.915 -2.777) 2.926 2.898 ( 1.203 -4.100 0.601) 4.315 2.945 ( 0.326 -0.160 -2.255) 2.284 2.961 ( 1.427 0.342 -0.220) 1.484 3.038 ( -0.681 0.554 -0.383) 0.958 3.054 ( 1.854 -1.440 -0.709) 2.452 3.102 ( -0.232 2.570 -1.891) 3.200 3.124 ( 2.312 -0.036 -1.177) 2.595 3.181 ( -1.793 0.195 -1.681) 2.465 3.221 ( -1.588 -2.062 0.874) 2.745 3.258 ( 1.758 2.417 0.007) 2.989 3.276 ( -0.658 1.589 0.432) 1.773 3.333 ( 4.312 0.764 1.244) 4.552 3.337 ( -0.248 1.071 1.470) 1.836 3.453 ( -3.017 0.956 0.661) 3.233 3.463 ( -1.168 1.514 0.389) 1.951 3.475 ( -2.562 -0.096 0.103) 2.566 3.530 ( -0.189 1.328 2.223) 2.596 3.568 ( -1.413 -3.035 -0.283) 3.359 3.575 ( -3.002 0.723 2.199) 3.791 3.665 ( -1.219 1.637 -1.006) 2.275 3.701 ( -2.403 1.804 0.684) 3.082 3.750 ( -0.710 0.504 0.514) 1.011 3.826 ( 1.783 -0.646 -0.649) 2.005 3.857 ( 3.674 0.614 -1.451) 3.997 3.960 ( -0.389 2.360 -1.356) 2.749 3.997 ( -0.114 1.588 0.065) 1.593 4.026 ( 1.040 1.146 1.007) 1.846 4.063 ( 1.102 -0.649 -2.323) 2.652 4.096 ( 2.307 0.609 -0.639) 2.470 4.149 ( 3.067 1.619 2.851) 4.490 4.181 ( 0.383 2.921 -0.804) 3.054 4.195 ( 2.901 3.200 1.428) 4.549 4.207 ( -0.566 0.050 3.291) 3.339 4.250 ( 0.010 1.378 0.504) 1.468 4.289 ( 1.285 -1.111 -0.137) 1.704 4.336 ( 0.659 -0.833 0.211) 1.083 4.403 ( -0.513 1.378 -0.717) 1.636 4.417 ( -0.510 -0.527 -0.115) 0.742 4.473 ( -0.602 0.532 -2.383) 2.514 4.547 ( 2.678 1.112 -0.728) 2.990 4.565 ( -0.813 1.443 2.791) 3.245 4.644 ( -2.736 -0.091 2.088) 3.443 4.660 ( -0.773 -1.265 1.435) 2.064 4.719 ( -4.672 -2.684 -0.268) 5.394 4.755 ( 1.246 -2.249 -1.500) 2.977 4.794 ( -3.179 -1.907 -0.920) 3.819 4.880 ( -0.471 -2.283 -2.594) 3.488 4.975 ( -1.022 -2.996 -1.910) 3.697 5.011 ( 2.098 -0.480 2.594) 3.371 5.103 ( 2.664 -4.971 -1.057) 5.738 5.455 ( -2.742 -0.835 1.410) 3.195 5.571 ( -1.774 -2.535 -0.848) 3.208 5.818 ( 0.702 2.757 -1.313) 3.133 5.830 ( 1.738 1.879 -1.960) 3.224 5.943 ( 1.640 4.315 1.431) 4.833 6.018 ( 1.740 1.429 -1.158) 2.531 6.245 ( -0.017 5.020 5.261) 7.271 6.388 ( 1.276 -0.823 0.536) 1.610 6.833 ( 0.987 3.527 -0.385) 3.683 7.001 ( 2.009 0.293 -1.392) 2.462 7.088 ( -1.641 1.596 -0.365) 2.318 7.279 ( -0.024 -2.467 -5.686) 6.199 7.337 ( -3.802 2.023 2.233) 4.851 7.447 ( -0.839 -0.822 2.153) 2.453 7.711 ( -1.227 2.110 0.183) 2.448 7.866 ( 0.358 -0.038 0.271) 0.450 7.878 ( 0.274 0.368 0.053) 0.462 7.927 ( -0.616 -3.500 1.360) 3.805 7.976 ( 0.600 0.146 -3.456) 3.510 8.091 ( 0.090 -3.641 -1.895) 4.105 8.205 ( -0.579 -0.255 0.522) 0.820 8.245 ( 0.275 -1.397 -1.225) 1.878 8.415 ( 1.085 -1.806 1.981) 2.893 8.481 ( 0.821 -2.593 1.709) 3.212 ======================= Grid point 45 (23/40) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -5.825 4.116 0.068) 7.133 0.794 ( -5.315 0.664 2.836) 6.061 0.941 ( 0.067 8.222 4.705) 9.473 1.024 ( -2.119 3.689 0.611) 4.298 1.060 ( 4.963 6.937 -1.710) 8.700 1.118 ( 6.946 1.365 -1.170) 7.175 1.174 ( 0.976 2.587 1.962) 3.390 1.212 ( 4.209 3.813 -6.885) 8.925 1.239 ( -3.417 -2.606 -1.432) 4.530 1.295 ( -1.785 4.463 -0.175) 4.810 1.378 ( 0.441 -1.763 -2.054) 2.742 1.424 ( -3.051 0.985 -0.788) 3.302 1.465 ( 4.330 -3.553 2.544) 6.152 1.494 ( -0.884 0.922 0.224) 1.297 1.553 ( -1.507 0.274 0.325) 1.566 1.634 ( -2.795 4.029 2.143) 5.351 1.703 ( 1.001 -3.365 2.884) 4.543 1.720 ( -0.884 -1.518 -1.029) 2.036 1.736 ( -0.877 0.267 4.024) 4.127 1.801 ( 1.671 0.098 -0.361) 1.712 1.817 ( 1.725 1.128 0.596) 2.146 1.868 ( -0.857 0.462 0.490) 1.091 1.898 ( 2.961 -0.961 -2.921) 4.268 1.929 ( -0.516 1.096 -3.905) 4.088 1.965 ( -2.554 -0.891 1.804) 3.252 1.998 ( -0.672 -1.094 -0.284) 1.315 2.045 ( -2.115 2.618 1.285) 3.603 2.059 ( 0.255 -1.294 -0.485) 1.405 2.104 ( 0.026 -1.711 -1.447) 2.241 2.139 ( 0.808 -2.057 1.473) 2.656 2.201 ( -2.610 -1.463 -2.263) 3.751 2.223 ( -1.471 -3.735 1.339) 4.232 2.252 ( 0.640 -1.338 0.413) 1.540 2.314 ( -0.592 -0.797 -2.084) 2.309 2.362 ( 1.323 2.444 -2.376) 3.656 2.412 ( 2.359 -0.958 -3.551) 4.369 2.490 ( 2.329 1.124 4.838) 5.486 2.541 ( 1.013 0.756 -0.180) 1.276 2.608 ( -2.281 -1.489 4.556) 5.308 2.636 ( -0.903 -0.137 2.307) 2.481 2.693 ( 1.223 -2.153 -0.712) 2.577 2.709 ( -1.383 1.415 0.984) 2.210 2.729 ( -0.194 -6.698 -1.797) 6.937 2.796 ( -1.067 -3.870 0.807) 4.095 2.823 ( 2.870 1.411 -0.601) 3.254 2.851 ( 1.665 -0.358 -4.413) 4.730 2.930 ( -0.506 -3.173 2.871) 4.308 2.953 ( 2.514 -1.850 -0.432) 3.151 2.991 ( -0.017 1.508 0.447) 1.573 3.019 ( 1.303 -1.584 0.460) 2.103 3.072 ( -0.525 1.655 -0.248) 1.754 3.106 ( 0.053 1.414 -0.348) 1.457 3.141 ( 0.226 0.224 0.449) 0.551 3.171 ( 0.733 2.083 -2.367) 3.237 3.209 ( 0.343 -0.670 0.434) 0.869 3.261 ( 0.586 2.111 -3.120) 3.813 3.282 ( -0.110 1.004 -0.570) 1.160 3.295 ( -2.407 2.092 -1.593) 3.565 3.339 ( -3.627 1.724 -1.620) 4.330 3.402 ( -2.495 -0.236 -2.998) 3.907 3.419 ( -1.446 0.401 1.578) 2.178 3.484 ( 2.241 2.389 3.576) 4.849 3.510 ( -0.124 2.647 2.184) 3.434 3.581 ( -0.695 -0.158 2.638) 2.733 3.599 ( 3.859 -2.924 1.633) 5.110 3.634 ( 0.054 2.600 -1.611) 3.059 3.693 ( -0.568 -0.248 3.173) 3.233 3.741 ( -0.655 -0.717 0.317) 1.021 3.838 ( 0.053 -1.396 -1.023) 1.732 3.883 ( -0.451 0.128 -3.707) 3.737 3.952 ( -1.387 3.210 -1.458) 3.789 3.984 ( 1.882 1.763 0.083) 2.581 4.023 ( -0.164 -2.207 0.518) 2.273 4.061 ( -0.875 0.197 0.776) 1.186 4.113 ( -0.685 1.250 -1.152) 1.833 4.162 ( -0.517 4.321 -1.759) 4.693 4.204 ( -0.485 -0.755 1.676) 1.901 4.211 ( -0.426 3.785 2.100) 4.350 4.236 ( -0.092 0.591 -1.952) 2.042 4.284 ( -0.011 -0.781 2.135) 2.274 4.321 ( 0.859 -0.203 1.578) 1.808 4.369 ( 1.546 -0.703 0.936) 1.939 4.389 ( -1.466 2.354 0.948) 2.931 4.404 ( 0.190 -0.346 -0.729) 0.829 4.493 ( 4.872 -1.241 0.192) 5.032 4.565 ( -2.771 -2.344 2.566) 4.445 4.593 ( 0.985 2.040 1.196) 2.562 4.613 ( 0.876 1.568 0.150) 1.803 4.631 ( -2.437 -1.380 1.294) 3.085 4.681 ( 1.572 -2.065 2.639) 3.701 4.738 ( -0.689 -0.695 -2.228) 2.434 4.788 ( 1.414 -1.573 -0.446) 2.162 4.860 ( 0.186 -1.409 -3.282) 3.577 4.925 ( -1.266 -1.279 -4.338) 4.697 5.049 ( -0.035 -2.028 2.402) 3.144 5.121 ( -0.129 -5.206 -1.130) 5.329 5.423 ( -0.981 -1.952 0.786) 2.321 5.518 ( -1.207 -3.193 -2.887) 4.471 5.802 ( -1.536 2.565 -1.116) 3.192 5.856 ( 2.107 0.518 -1.529) 2.654 5.959 ( -1.022 4.613 1.347) 4.913 6.044 ( 1.266 2.099 -0.837) 2.590 6.312 ( -0.453 7.752 7.032) 10.477 6.416 ( 1.706 1.364 2.074) 3.012 6.834 ( 0.059 4.044 -3.890) 5.611 6.904 ( -4.418 3.721 -4.194) 7.138 7.130 ( 1.252 -0.938 0.765) 1.741 7.210 ( -2.247 -2.631 -1.850) 3.924 7.351 ( 2.335 0.708 1.951) 3.124 7.438 ( 0.892 -2.433 -0.255) 2.604 7.740 ( 1.597 -1.277 2.965) 3.602 7.850 ( -2.732 -3.379 -0.677) 4.398 7.882 ( -0.422 -0.036 -0.036) 0.425 7.885 ( -0.026 0.085 0.149) 0.173 7.987 ( -0.123 -0.132 -1.968) 1.977 8.091 ( 2.124 -4.194 -2.764) 5.453 8.197 ( -0.544 0.166 0.918) 1.080 8.240 ( 0.089 -1.454 -1.120) 1.837 8.436 ( -0.601 -0.126 2.360) 2.439 8.523 ( 1.773 -2.020 1.206) 2.946 ======================= Grid point 46 (24/40) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -4.788 7.732 5.340) 10.546 0.705 ( -4.564 9.751 2.539) 11.061 0.939 ( 0.527 3.879 1.957) 4.376 1.095 ( 4.038 0.997 -0.784) 4.233 1.132 ( 1.704 2.972 1.448) 3.719 1.172 ( 0.985 1.842 -1.860) 2.796 1.213 ( 1.949 5.733 2.256) 6.462 1.248 ( 2.237 5.159 -6.630) 8.694 1.287 ( 7.129 -3.018 -1.201) 7.834 1.305 ( 3.110 2.236 -3.751) 5.361 1.368 ( -0.870 2.025 -0.352) 2.232 1.396 ( 1.898 1.363 0.389) 2.368 1.485 ( -2.042 9.433 3.313) 10.204 1.545 ( 3.060 -5.814 1.663) 6.777 1.552 ( 0.973 0.336 -0.350) 1.087 1.595 ( -0.593 1.103 -0.358) 1.303 1.663 ( -6.789 -0.034 2.184) 7.132 1.710 ( 0.390 -1.971 0.787) 2.158 1.733 ( -1.323 -2.097 0.477) 2.525 1.782 ( -3.489 -1.657 -1.431) 4.120 1.816 ( 0.893 -0.592 -3.205) 3.379 1.834 ( -2.427 1.720 -0.729) 3.062 1.856 ( -2.151 -0.932 -0.817) 2.483 1.910 ( -3.171 0.104 4.548) 5.545 1.955 ( 2.030 -1.512 -0.466) 2.574 1.976 ( -1.438 -1.840 2.436) 3.375 2.046 ( -0.452 -0.477 -3.043) 3.113 2.091 ( 1.733 0.079 0.143) 1.741 2.131 ( 2.043 0.348 1.870) 2.792 2.165 ( 1.796 -1.964 -0.315) 2.680 2.171 ( 0.683 -1.195 3.326) 3.600 2.223 ( -0.119 -2.334 0.538) 2.398 2.265 ( 1.051 -0.304 0.022) 1.095 2.294 ( 0.526 -1.643 -1.834) 2.518 2.370 ( 0.983 0.725 -3.879) 4.066 2.401 ( -1.283 -1.911 -2.374) 3.307 2.532 ( -3.546 -4.584 1.984) 6.126 2.540 ( -0.963 0.833 -0.691) 1.449 2.579 ( 2.692 -0.332 2.164) 3.470 2.648 ( -0.134 0.262 2.012) 2.033 2.695 ( -0.956 -1.834 1.566) 2.594 2.711 ( -0.179 -2.249 -0.920) 2.437 2.749 ( 0.400 -2.278 0.291) 2.331 2.785 ( 0.933 -0.407 -1.027) 1.446 2.835 ( -0.953 -2.388 -2.464) 3.561 2.856 ( 2.356 1.747 -1.583) 3.333 2.954 ( -1.383 0.736 -2.604) 3.039 2.965 ( 1.270 -0.148 0.717) 1.466 2.985 ( -0.920 -0.836 1.637) 2.056 3.011 ( -2.013 -2.697 -1.788) 3.811 3.081 ( 2.367 -1.517 0.106) 2.813 3.117 ( -1.261 0.712 0.387) 1.499 3.132 ( -0.915 1.824 -0.874) 2.220 3.162 ( 0.263 -1.365 -0.225) 1.408 3.184 ( -1.905 1.458 1.208) 2.686 3.199 ( -2.568 0.105 -3.548) 4.381 3.264 ( 1.387 2.955 -0.511) 3.304 3.300 ( 1.276 1.113 2.840) 3.307 3.363 ( 2.889 -1.351 0.162) 3.194 3.402 ( 3.259 1.075 0.366) 3.451 3.413 ( -0.241 2.346 0.798) 2.489 3.516 ( 1.000 0.609 0.419) 1.244 3.539 ( 1.391 0.339 0.854) 1.667 3.583 ( -0.118 1.818 2.517) 3.107 3.634 ( -0.004 1.502 -1.302) 1.988 3.676 ( -1.740 -1.061 1.226) 2.378 3.708 ( 3.251 -0.622 0.760) 3.396 3.740 ( 1.211 0.651 1.032) 1.719 3.804 ( -4.050 -1.345 -2.122) 4.766 3.830 ( -0.373 -0.233 -0.465) 0.640 3.928 ( 0.104 2.502 -0.467) 2.547 4.022 ( 0.234 0.499 -0.955) 1.103 4.037 ( -0.952 1.177 0.226) 1.531 4.064 ( 2.889 1.761 0.028) 3.383 4.070 ( -3.379 2.156 1.055) 4.145 4.125 ( -5.006 -0.385 -0.933) 5.107 4.158 ( -0.414 4.819 -0.595) 4.873 4.192 ( -2.216 -0.594 1.376) 2.675 4.230 ( -1.755 2.508 2.992) 4.280 4.245 ( 0.568 1.985 -0.161) 2.071 4.309 ( -2.020 -1.294 0.226) 2.410 4.328 ( -2.007 0.298 -0.194) 2.038 4.434 ( 0.660 -3.107 -0.052) 3.177 4.458 ( 0.847 2.548 0.625) 2.757 4.525 ( -1.418 -2.823 -3.654) 4.830 4.556 ( 1.301 -0.571 1.454) 2.033 4.593 ( -1.309 3.736 2.268) 4.562 4.608 ( 1.922 -1.822 1.615) 3.102 4.670 ( -0.097 -1.212 1.768) 2.146 4.743 ( 2.932 -1.079 -1.527) 3.478 4.769 ( 2.983 -4.173 0.796) 5.191 4.794 ( 1.942 -3.354 -0.958) 3.992 4.850 ( 1.615 1.402 -2.797) 3.521 4.911 ( 2.035 -0.281 -2.159) 2.980 5.034 ( -3.040 -2.634 1.680) 4.359 5.088 ( -2.094 -3.455 -1.270) 4.236 5.438 ( 2.013 -0.295 1.756) 2.688 5.516 ( 2.229 -1.140 -1.155) 2.757 5.751 ( -2.525 3.425 -0.264) 4.264 5.889 ( 1.631 0.159 -1.988) 2.577 5.935 ( -1.933 3.889 1.482) 4.589 6.041 ( -1.080 0.723 -1.126) 1.720 6.277 ( -4.024 5.432 3.150) 7.458 6.452 ( -2.113 -0.907 2.886) 3.690 6.804 ( -0.230 2.789 -1.762) 3.307 6.840 ( 0.086 1.717 -0.768) 1.883 7.145 ( 0.668 0.870 0.524) 1.215 7.208 ( 3.039 0.101 -3.210) 4.421 7.380 ( 0.704 0.014 0.031) 0.704 7.514 ( 3.321 -1.693 1.309) 3.951 7.744 ( -1.055 0.175 0.787) 1.328 7.832 ( 1.259 -1.505 -0.506) 2.026 7.880 ( -0.097 0.120 0.088) 0.178 7.886 ( -0.524 0.298 0.115) 0.614 7.959 ( 0.281 0.676 -2.933) 3.023 8.121 ( 1.375 -4.067 -1.563) 4.569 8.198 ( 0.016 0.144 1.078) 1.087 8.234 ( 0.102 -1.562 -1.123) 1.926 8.427 ( -1.646 -1.219 2.233) 3.030 8.536 ( -1.536 -3.400 0.696) 3.795 ======================= Grid point 47 (25/40) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.387 7.588 3.896) 8.539 0.876 ( 3.858 5.759 1.003) 7.004 1.065 ( 1.406 4.677 3.078) 5.773 1.109 ( -0.492 -1.087 -0.244) 1.218 1.186 ( -0.850 1.607 0.652) 1.931 1.221 ( -1.915 -0.808 2.665) 3.380 1.245 ( 0.672 -1.532 -2.506) 3.013 1.272 ( -0.987 -0.862 -1.657) 2.113 1.344 ( -0.067 -1.023 -3.281) 3.438 1.364 ( -0.358 1.668 -2.586) 3.098 1.381 ( 1.213 3.138 -6.745) 7.537 1.431 ( -1.296 -0.009 -0.253) 1.321 1.490 ( 3.150 -0.927 2.116) 3.906 1.499 ( -3.570 2.152 -5.289) 6.734 1.570 ( 2.718 -4.623 -1.848) 5.672 1.576 ( -0.544 -3.561 -5.109) 6.252 1.637 ( -0.320 -0.285 0.634) 0.765 1.666 ( 1.311 -1.947 1.315) 2.691 1.722 ( -1.005 0.957 -0.006) 1.388 1.747 ( 0.420 0.115 0.837) 0.944 1.783 ( 0.358 5.431 2.171) 5.859 1.824 ( -2.346 2.302 1.305) 3.536 1.881 ( 0.547 0.355 0.227) 0.691 1.922 ( -1.702 -1.205 3.052) 3.696 1.955 ( 0.270 -0.998 0.540) 1.166 1.973 ( 1.075 -1.006 1.139) 1.862 2.029 ( 0.493 3.723 2.210) 4.357 2.088 ( -0.330 -3.987 1.566) 4.296 2.107 ( -0.303 1.956 3.623) 4.129 2.168 ( -0.507 -2.166 4.950) 5.427 2.221 ( 0.352 1.337 1.342) 1.926 2.256 ( 1.073 -1.022 -1.406) 2.043 2.261 ( -0.140 0.985 0.331) 1.049 2.292 ( 0.249 -0.919 0.426) 1.043 2.358 ( 3.041 -0.073 -1.411) 3.353 2.369 ( 2.756 0.021 -2.125) 3.480 2.451 ( -2.345 0.763 0.009) 2.466 2.519 ( -0.546 -4.629 0.414) 4.679 2.562 ( 1.515 0.443 -2.286) 2.778 2.613 ( 0.468 -4.884 -1.888) 5.257 2.643 ( -1.839 0.310 0.242) 1.880 2.658 ( -3.380 -1.396 0.100) 3.659 2.751 ( 0.929 3.336 2.331) 4.174 2.789 ( -0.024 1.154 0.370) 1.212 2.844 ( -1.528 0.261 2.147) 2.648 2.865 ( -4.266 -1.921 -1.349) 4.869 2.903 ( -2.350 1.438 -2.529) 3.740 2.936 ( 0.097 -0.641 -2.734) 2.810 2.962 ( 0.684 0.315 -0.265) 0.798 2.975 ( 2.061 -0.520 -2.050) 2.953 3.057 ( -0.242 -2.299 0.371) 2.341 3.086 ( 3.328 -3.761 1.198) 5.163 3.118 ( -0.841 1.992 -2.766) 3.510 3.150 ( 1.164 -0.049 -1.106) 1.606 3.193 ( 0.931 -0.079 1.051) 1.406 3.216 ( 2.602 -1.040 -0.217) 2.811 3.316 ( -1.434 1.725 1.794) 2.873 3.335 ( -2.263 1.457 0.287) 2.707 3.365 ( 0.991 2.623 0.861) 2.933 3.445 ( 2.309 -3.715 -1.827) 4.740 3.477 ( 0.214 2.377 1.313) 2.724 3.508 ( 0.809 0.638 -0.123) 1.037 3.583 ( -1.654 -0.876 -0.441) 1.923 3.587 ( -1.620 -1.341 -1.009) 2.332 3.627 ( -3.819 2.282 1.882) 4.830 3.663 ( -4.189 -1.796 0.370) 4.573 3.741 ( 5.357 0.763 0.701) 5.457 3.769 ( 3.496 -1.285 0.216) 3.731 3.793 ( 0.203 1.315 0.355) 1.377 3.805 ( 0.372 -0.499 0.750) 0.975 3.967 ( 0.372 2.139 -0.633) 2.262 3.997 ( -0.557 -0.582 -1.122) 1.381 4.050 ( 0.808 0.327 -2.444) 2.594 4.073 ( -2.119 -1.930 -2.380) 3.725 4.110 ( -1.097 3.183 1.033) 3.521 4.128 ( 0.285 1.807 2.422) 3.035 4.167 ( 0.886 1.991 4.035) 4.586 4.214 ( -1.052 -1.895 2.721) 3.479 4.246 ( 0.529 3.091 -0.099) 3.138 4.268 ( -0.969 0.995 0.754) 1.580 4.311 ( 0.443 0.415 0.782) 0.990 4.350 ( 0.091 4.523 0.206) 4.529 4.354 ( 0.299 -3.088 -0.345) 3.122 4.442 ( -0.040 -3.823 -2.168) 4.395 4.512 ( -1.148 -0.024 -1.409) 1.818 4.518 ( 0.254 -0.111 -0.959) 0.998 4.623 ( -0.543 3.544 2.571) 4.411 4.667 ( 0.274 3.126 1.281) 3.389 4.672 ( -0.087 0.866 1.157) 1.448 4.704 ( 0.439 -2.091 -1.127) 2.416 4.731 ( -1.427 -2.842 -0.710) 3.258 4.758 ( 1.844 -5.385 0.492) 5.713 4.864 ( -1.066 -0.540 -1.110) 1.630 4.890 ( -0.315 -2.937 -2.435) 3.828 4.998 ( 0.406 1.972 -0.212) 2.025 5.033 ( 0.733 -1.616 -1.079) 2.077 5.515 ( 0.318 1.958 0.731) 2.114 5.549 ( 1.483 -1.488 -0.070) 2.102 5.812 ( 1.913 3.272 -0.065) 3.791 5.863 ( 0.117 -1.991 -2.345) 3.079 5.975 ( -0.150 2.536 0.661) 2.625 6.006 ( -0.139 -0.761 -0.365) 0.855 6.305 ( -2.477 2.620 4.166) 5.510 6.343 ( -3.813 -1.652 3.658) 5.536 6.852 ( 1.393 1.603 0.930) 2.319 6.879 ( 2.639 -1.250 1.189) 3.153 7.185 ( 0.500 2.441 -2.543) 3.560 7.233 ( 2.248 -2.514 -4.541) 5.656 7.437 ( 0.355 1.773 1.291) 2.222 7.462 ( -3.031 -0.804 0.963) 3.280 7.805 ( 0.259 1.677 -0.134) 1.702 7.835 ( 1.568 -1.391 -1.073) 2.355 7.886 ( -0.343 0.624 0.150) 0.728 7.891 ( 0.238 0.198 0.119) 0.331 7.997 ( 2.148 1.506 -3.435) 4.322 8.041 ( 0.441 -3.298 -3.589) 4.894 8.210 ( 0.116 0.356 0.245) 0.447 8.218 ( 0.756 -0.571 -0.456) 1.051 8.382 ( -2.588 0.382 3.422) 4.307 8.417 ( -2.601 -3.167 1.977) 4.550 ======================= Grid point 48 (26/40) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -1.485 5.097 1.154) 5.433 0.910 ( -2.797 -0.742 0.697) 2.977 1.090 ( -4.969 1.465 0.757) 5.235 1.093 ( -0.984 4.602 -0.647) 4.751 1.117 ( 0.059 7.378 4.686) 8.741 1.182 ( -2.681 -0.091 -1.531) 3.089 1.202 ( -2.204 0.953 -1.407) 2.783 1.272 ( 2.430 -1.028 -0.669) 2.722 1.284 ( -0.625 -0.150 -4.919) 4.960 1.340 ( 0.462 -1.369 -2.308) 2.723 1.387 ( -0.781 1.715 -1.850) 2.640 1.419 ( -2.976 1.014 -1.519) 3.492 1.428 ( 0.821 -0.752 -0.322) 1.159 1.444 ( -1.183 -5.330 -3.258) 6.358 1.594 ( 1.185 0.916 2.317) 2.759 1.613 ( 0.298 -1.037 0.937) 1.429 1.663 ( 1.588 2.029 -2.258) 3.426 1.699 ( 0.877 -0.464 -1.052) 1.446 1.737 ( -0.783 -1.284 1.106) 1.867 1.754 ( 3.535 -1.829 3.053) 5.017 1.820 ( 1.330 3.590 2.272) 4.452 1.844 ( 2.633 1.962 -0.718) 3.361 1.896 ( 0.505 -0.908 1.432) 1.769 1.907 ( 1.442 -0.918 -1.884) 2.544 1.945 ( -1.517 -1.894 -0.257) 2.441 1.985 ( -0.071 -1.312 0.366) 1.364 2.039 ( -2.076 -0.844 2.175) 3.123 2.052 ( -2.010 -1.931 0.601) 2.851 2.150 ( -0.973 1.607 1.447) 2.371 2.170 ( -1.767 0.832 4.587) 4.986 2.227 ( -0.566 1.603 1.240) 2.104 2.237 ( -1.935 2.241 -3.366) 4.483 2.249 ( -1.024 -0.871 0.520) 1.441 2.315 ( 1.834 0.854 0.514) 2.088 2.379 ( 1.483 -0.054 -0.504) 1.568 2.388 ( -0.372 -2.778 -1.519) 3.188 2.441 ( 1.882 1.967 -1.408) 3.065 2.533 ( -0.120 -6.382 1.036) 6.467 2.569 ( 1.445 2.020 -2.631) 3.619 2.605 ( 0.665 -2.297 -0.712) 2.495 2.639 ( 1.350 0.032 0.805) 1.572 2.662 ( 0.950 -0.705 2.849) 3.085 2.750 ( -1.706 1.805 1.060) 2.700 2.789 ( -1.081 -1.245 -0.610) 1.758 2.790 ( -0.323 0.301 2.820) 2.854 2.831 ( 0.479 -1.735 1.302) 2.222 2.879 ( 0.336 1.962 -1.395) 2.431 2.920 ( -1.800 -2.112 -1.901) 3.363 2.991 ( 1.988 2.162 -0.096) 2.939 3.018 ( 2.797 -1.312 -0.455) 3.122 3.071 ( 1.231 2.136 -0.636) 2.546 3.103 ( 1.299 -0.351 -2.363) 2.719 3.141 ( 0.710 -3.203 0.350) 3.299 3.161 ( -1.437 -2.441 -1.089) 3.035 3.191 ( 1.407 3.357 -1.878) 4.096 3.253 ( 1.116 -2.167 -1.079) 2.666 3.319 ( 1.095 1.855 -0.006) 2.154 3.336 ( 1.609 -0.132 1.501) 2.205 3.387 ( 0.830 3.405 0.526) 3.544 3.442 ( -1.578 -2.125 0.255) 2.659 3.481 ( -1.295 0.856 -1.060) 1.880 3.502 ( -0.795 3.500 0.507) 3.625 3.512 ( -3.835 -2.328 -0.985) 4.593 3.560 ( 0.121 0.282 1.975) 1.999 3.589 ( -2.589 0.445 2.739) 3.795 3.622 ( 0.035 -3.468 1.728) 3.875 3.758 ( -1.925 0.800 1.430) 2.528 3.777 ( -1.443 3.200 -2.435) 4.272 3.789 ( -0.563 -0.627 0.882) 1.220 3.857 ( 2.082 -2.692 -1.637) 3.776 3.989 ( 0.500 1.530 -1.975) 2.548 4.009 ( 0.505 0.118 -0.175) 0.547 4.044 ( 1.722 -0.180 -1.953) 2.609 4.060 ( 1.936 0.292 -1.107) 2.249 4.107 ( 0.328 1.770 0.746) 1.949 4.150 ( 0.790 -1.619 2.495) 3.077 4.206 ( 1.336 1.887 2.897) 3.707 4.231 ( 0.639 -0.165 2.549) 2.633 4.257 ( -0.017 2.357 0.942) 2.538 4.277 ( 1.376 0.547 -0.418) 1.538 4.310 ( -1.026 2.343 0.270) 2.572 4.334 ( -0.487 2.090 -0.551) 2.215 4.362 ( 0.239 -2.895 0.053) 2.906 4.401 ( -1.309 -2.732 -1.514) 3.387 4.519 ( 1.241 2.570 -0.956) 3.010 4.545 ( 2.107 -0.483 -0.355) 2.191 4.602 ( -2.699 1.359 2.411) 3.865 4.633 ( -4.665 -1.326 -0.023) 4.850 4.690 ( -0.388 3.840 1.736) 4.232 4.693 ( -0.528 0.732 -0.443) 1.006 4.718 ( 2.362 -1.561 0.532) 2.881 4.763 ( -1.020 -1.722 -0.298) 2.024 4.842 ( -0.392 -1.331 -2.224) 2.622 4.874 ( 0.326 -5.492 -1.264) 5.645 5.017 ( 0.901 0.822 0.158) 1.230 5.044 ( 0.932 -2.080 -0.979) 2.481 5.464 ( -3.916 1.800 -0.089) 4.311 5.514 ( -3.548 -3.213 -1.173) 4.928 5.853 ( 0.609 0.934 -1.231) 1.661 5.854 ( 0.953 0.675 -1.641) 2.014 6.011 ( 2.578 2.634 0.100) 3.687 6.035 ( 2.516 0.027 -0.534) 2.572 6.332 ( 2.379 3.834 6.240) 7.701 6.377 ( 2.719 -1.040 4.947) 5.740 6.891 ( 2.367 3.072 -0.871) 3.975 6.955 ( 4.189 -3.612 -0.296) 5.539 7.146 ( -2.952 3.591 -3.401) 5.760 7.216 ( -1.533 -3.849 -4.810) 6.348 7.379 ( -4.138 2.332 1.601) 5.013 7.420 ( -3.060 -1.962 1.953) 4.126 7.765 ( -2.396 3.429 -0.917) 4.282 7.832 ( -1.825 -3.535 -0.212) 3.984 7.885 ( 0.123 0.318 0.124) 0.363 7.889 ( -0.417 -0.349 0.087) 0.551 7.992 ( 0.814 1.470 -3.693) 4.057 8.031 ( 0.552 -2.690 -3.050) 4.104 8.208 ( -0.306 0.509 0.183) 0.622 8.222 ( -0.022 -1.029 -0.598) 1.190 8.405 ( 1.978 0.656 3.478) 4.054 8.434 ( 1.797 -2.234 3.157) 4.264 ======================= Grid point 49 (27/40) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -2.125 1.462 -0.668) 2.665 0.820 ( -2.872 1.602 -1.331) 3.548 1.036 ( 0.432 0.408 1.912) 2.002 1.055 ( -1.633 -1.522 -0.903) 2.408 1.118 ( -0.005 5.161 -0.440) 5.180 1.171 ( 0.180 -0.725 -2.278) 2.398 1.224 ( 2.867 6.637 0.839) 7.278 1.271 ( 1.765 3.062 -2.210) 4.169 1.292 ( 0.893 3.177 -1.940) 3.828 1.343 ( 0.368 0.239 -3.069) 3.100 1.362 ( 0.368 -1.360 2.113) 2.539 1.386 ( 2.069 -3.675 -1.388) 4.440 1.436 ( 0.751 1.447 -0.258) 1.650 1.485 ( 3.119 -2.167 2.581) 4.592 1.560 ( -3.179 0.747 -1.541) 3.611 1.615 ( -0.530 -5.016 1.116) 5.166 1.678 ( 0.119 1.361 -0.957) 1.668 1.699 ( 0.754 -0.855 -2.273) 2.543 1.766 ( -0.805 1.872 5.165) 5.553 1.794 ( -1.371 -1.170 2.578) 3.146 1.866 ( -1.905 0.198 -2.008) 2.775 1.872 ( -0.031 0.852 -2.440) 2.584 1.878 ( 3.068 2.982 0.857) 4.363 1.919 ( 1.231 -1.022 0.252) 1.620 1.939 ( -0.782 -1.448 -0.324) 1.677 1.991 ( 0.292 -3.656 0.836) 3.761 2.025 ( -0.900 0.878 3.560) 3.775 2.055 ( 0.681 -1.163 1.148) 1.771 2.097 ( -1.837 -0.092 0.756) 1.989 2.123 ( -3.524 -3.357 -0.260) 4.874 2.182 ( -0.182 7.301 0.155) 7.305 2.219 ( -1.164 1.490 0.095) 1.893 2.235 ( -0.041 -0.961 -1.644) 1.905 2.307 ( -1.313 -1.937 -2.607) 3.503 2.406 ( 1.573 1.531 -4.100) 4.650 2.411 ( 0.310 0.143 -4.959) 4.970 2.476 ( 1.546 -2.658 4.919) 5.801 2.517 ( -1.469 -5.007 4.143) 6.663 2.591 ( -0.214 1.919 0.784) 2.084 2.622 ( 0.882 -2.110 -1.484) 2.726 2.643 ( -1.266 0.736 1.200) 1.893 2.657 ( -0.876 -0.900 1.283) 1.795 2.743 ( 0.322 1.823 -0.143) 1.856 2.770 ( 0.521 -0.358 -0.845) 1.056 2.844 ( -0.757 0.179 1.738) 1.904 2.865 ( 1.190 1.071 -0.918) 1.845 2.900 ( 1.755 -1.965 3.182) 4.131 2.905 ( 4.032 -1.509 3.398) 5.484 3.004 ( -0.770 1.981 -0.210) 2.135 3.027 ( -0.362 0.589 -2.275) 2.378 3.090 ( -2.303 0.745 -0.246) 2.433 3.120 ( -0.291 -1.399 -0.845) 1.660 3.129 ( 1.337 -0.365 0.204) 1.401 3.145 ( 0.917 -2.625 -0.762) 2.883 3.232 ( 3.171 2.868 -1.536) 4.543 3.278 ( 2.532 -1.265 -1.956) 3.440 3.311 ( -1.970 2.184 -2.226) 3.689 3.329 ( -2.490 0.921 -0.606) 2.723 3.368 ( -2.050 1.553 -1.775) 3.125 3.396 ( -2.849 -1.148 -3.491) 4.650 3.444 ( -0.061 2.385 3.497) 4.234 3.504 ( 3.474 -3.433 2.740) 5.600 3.548 ( 1.017 1.688 1.560) 2.513 3.560 ( -0.871 3.613 2.435) 4.443 3.578 ( 0.354 -1.015 1.943) 2.221 3.648 ( -0.489 -4.275 3.141) 5.327 3.708 ( -0.153 4.884 -3.394) 5.949 3.750 ( -1.147 1.692 1.324) 2.436 3.791 ( 0.280 -3.005 0.447) 3.051 3.824 ( -2.420 -5.248 -4.035) 7.048 4.003 ( 1.489 1.150 -1.606) 2.473 4.013 ( 1.087 0.458 -0.144) 1.188 4.045 ( -0.107 4.863 -2.334) 5.395 4.089 ( 1.430 1.286 -1.408) 2.384 4.117 ( -0.520 0.027 1.040) 1.163 4.166 ( -1.381 -2.823 2.633) 4.100 4.226 ( -1.730 0.320 2.989) 3.468 4.241 ( -1.565 1.139 -0.834) 2.107 4.252 ( -0.422 0.069 0.669) 0.794 4.287 ( 0.528 -0.021 -0.327) 0.622 4.305 ( 0.058 1.565 1.177) 1.959 4.365 ( -0.208 -2.391 -0.585) 2.471 4.393 ( 3.887 0.990 0.476) 4.039 4.415 ( 1.599 -0.541 2.602) 3.102 4.493 ( 0.246 2.392 -1.528) 2.850 4.533 ( -3.372 -1.083 -0.099) 3.543 4.583 ( -1.115 -1.464 -0.440) 1.892 4.592 ( 2.127 -1.961 1.165) 3.119 4.679 ( 0.292 3.080 1.208) 3.321 4.698 ( -1.804 3.024 1.965) 4.032 4.724 ( -1.731 -1.144 -1.016) 2.310 4.756 ( -0.088 -2.081 0.308) 2.105 4.842 ( 2.238 0.324 -2.170) 3.134 4.883 ( 1.853 -3.051 -2.322) 4.258 5.024 ( -0.354 0.187 0.754) 0.854 5.054 ( 0.106 -2.461 -0.352) 2.488 5.413 ( -0.451 0.960 -0.564) 1.201 5.454 ( -0.423 -3.204 -2.117) 3.864 5.841 ( -0.621 1.519 -1.547) 2.255 5.858 ( 0.736 -0.324 -1.743) 1.920 6.033 ( -0.469 3.045 -0.050) 3.081 6.064 ( 0.365 -0.172 -0.614) 0.735 6.427 ( -0.749 3.869 8.515) 9.382 6.449 ( 0.347 1.154 7.343) 7.442 6.902 ( -0.928 3.290 -5.077) 6.121 6.941 ( -4.478 -0.134 -5.186) 6.853 7.118 ( 2.858 0.139 -1.339) 3.159 7.152 ( 0.925 -3.120 -2.518) 4.115 7.360 ( 0.942 0.625 1.771) 2.102 7.387 ( -0.337 -2.396 1.093) 2.655 7.743 ( 0.513 1.545 -0.287) 1.653 7.787 ( -1.114 -3.019 -1.277) 3.462 7.886 ( -0.058 0.236 0.148) 0.285 7.888 ( 0.090 0.022 0.113) 0.146 7.993 ( 0.687 0.969 -2.499) 2.767 8.027 ( 1.306 -2.645 -2.952) 4.173 8.204 ( -0.251 0.517 0.309) 0.652 8.217 ( -0.123 -0.978 -0.430) 1.076 8.451 ( -0.320 1.479 3.703) 4.000 8.485 ( 0.547 -2.027 3.119) 3.760 ======================= Grid point 50 (28/40) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.476 5.785 1.500) 6.156 0.829 ( 2.064 2.566 0.509) 3.332 1.036 ( -0.274 4.776 0.455) 4.805 1.101 ( 1.793 -0.612 2.821) 3.398 1.143 ( 3.918 -0.578 -2.841) 4.874 1.185 ( 4.376 -2.271 -2.717) 5.629 1.238 ( -0.848 2.760 1.117) 3.096 1.282 ( 0.003 0.115 -1.120) 1.126 1.340 ( 3.192 3.853 -3.198) 5.939 1.351 ( 2.475 1.844 -2.567) 4.014 1.403 ( 1.290 0.745 -2.537) 2.942 1.417 ( 1.786 -3.166 3.628) 5.135 1.455 ( 0.337 2.828 -0.886) 2.982 1.515 ( 0.312 -0.365 -1.580) 1.651 1.560 ( 1.892 -2.868 -0.993) 3.576 1.624 ( 1.390 -6.345 -1.364) 6.637 1.650 ( -0.767 1.705 -0.434) 1.919 1.678 ( -2.915 -0.258 -0.089) 2.928 1.723 ( -2.287 2.850 -0.205) 3.660 1.769 ( -1.714 -2.293 -2.298) 3.671 1.818 ( -2.823 1.020 1.704) 3.451 1.846 ( -1.478 -1.304 3.548) 4.059 1.899 ( -1.782 5.690 -0.099) 5.963 1.916 ( -1.471 0.493 1.855) 2.418 1.936 ( -0.629 0.432 0.764) 1.080 1.982 ( -0.330 1.173 1.771) 2.150 2.037 ( -1.240 -0.530 -1.839) 2.280 2.066 ( 1.500 -2.745 1.871) 3.645 2.100 ( -0.884 -0.223 3.778) 3.887 2.137 ( 1.399 -2.721 5.426) 6.229 2.190 ( 0.637 2.572 0.163) 2.655 2.210 ( 2.259 2.959 -1.502) 4.015 2.241 ( 1.927 -2.143 -0.855) 3.006 2.278 ( -0.071 -1.158 -1.045) 1.561 2.360 ( -0.862 -0.822 -3.851) 4.031 2.380 ( -0.520 -0.952 -4.465) 4.595 2.495 ( -3.357 -0.612 2.874) 4.461 2.523 ( -0.014 -4.388 2.562) 5.081 2.569 ( -1.106 1.473 -0.524) 1.915 2.611 ( 0.256 -3.656 -1.082) 3.822 2.643 ( 0.834 0.375 0.691) 1.146 2.680 ( 1.541 -2.314 1.340) 3.086 2.744 ( -2.140 3.938 1.670) 4.783 2.813 ( 0.758 -0.723 0.143) 1.057 2.836 ( 0.423 2.336 -1.042) 2.592 2.885 ( 3.145 -1.410 -0.608) 3.500 2.949 ( -1.206 -0.181 2.963) 3.204 2.960 ( -0.973 -0.119 -0.855) 1.300 2.975 ( -2.436 0.701 -0.017) 2.535 2.994 ( -1.220 -1.025 -0.220) 1.609 3.036 ( 0.609 0.052 -1.321) 1.456 3.087 ( -1.642 -3.865 -1.526) 4.468 3.143 ( -0.049 0.273 -1.093) 1.127 3.152 ( -0.662 -0.122 -0.761) 1.016 3.205 ( -3.442 1.577 -1.011) 3.919 3.224 ( -3.045 -0.053 -1.013) 3.210 3.319 ( 0.568 1.771 1.417) 2.338 3.327 ( 2.467 3.148 -1.654) 4.328 3.348 ( 0.392 -0.451 -0.160) 0.618 3.388 ( 4.358 -2.175 -2.425) 5.441 3.484 ( -1.324 3.356 2.635) 4.468 3.522 ( -1.631 -0.247 -0.643) 1.771 3.568 ( 3.381 2.209 2.887) 4.965 3.590 ( 1.445 0.510 1.892) 2.434 3.630 ( -0.195 -1.466 0.420) 1.537 3.666 ( 4.166 -2.902 1.503) 5.295 3.691 ( -1.442 1.990 0.644) 2.541 3.748 ( -2.938 -3.235 -2.232) 4.907 3.769 ( 2.152 1.367 0.273) 2.564 3.802 ( 0.297 -1.747 -0.318) 1.801 3.999 ( -1.200 3.706 -2.495) 4.625 4.021 ( 1.208 0.994 -1.393) 2.095 4.066 ( 0.667 -0.244 -1.697) 1.840 4.080 ( 0.069 -1.102 -1.668) 2.000 4.118 ( -0.593 2.138 3.444) 4.096 4.141 ( -2.378 2.970 1.995) 4.296 4.160 ( -4.325 -1.116 1.756) 4.800 4.218 ( -0.773 -1.496 1.457) 2.227 4.252 ( -0.399 2.079 1.028) 2.353 4.282 ( -0.933 1.126 0.375) 1.509 4.302 ( -0.442 0.002 0.593) 0.740 4.349 ( -0.223 -3.987 -0.648) 4.045 4.369 ( -1.692 4.255 -0.477) 4.603 4.454 ( -0.232 -3.991 -1.776) 4.374 4.534 ( -0.871 2.995 -0.081) 3.120 4.547 ( 0.922 -0.061 0.062) 0.926 4.579 ( 3.673 0.528 1.827) 4.136 4.647 ( 1.610 -3.427 -0.032) 3.786 4.663 ( -0.656 0.260 0.420) 0.821 4.680 ( 0.114 0.907 1.802) 2.020 4.718 ( 1.046 -1.804 0.904) 2.273 4.748 ( -0.315 -2.323 -0.366) 2.373 4.873 ( 1.513 1.523 -2.016) 2.945 4.903 ( 1.258 -1.190 -3.016) 3.478 5.011 ( -1.369 0.609 0.600) 1.614 5.040 ( -0.771 -2.059 -0.690) 2.305 5.449 ( 3.962 1.369 0.090) 4.193 5.483 ( 3.967 -2.085 -1.064) 4.606 5.814 ( -0.999 3.191 -1.088) 3.516 5.866 ( 0.973 -2.231 -1.702) 2.970 6.003 ( -2.353 3.008 0.545) 3.857 6.040 ( -2.106 -0.909 -0.495) 2.346 6.378 ( -6.981 4.715 5.422) 10.019 6.437 ( -6.702 -1.585 6.545) 9.501 6.841 ( -0.641 1.316 -1.954) 2.441 6.855 ( -0.712 -0.110 -1.654) 1.804 7.170 ( 2.847 1.686 -2.223) 3.986 7.199 ( 3.832 -1.167 -3.976) 5.644 7.394 ( 2.102 1.825 1.016) 2.964 7.451 ( 3.440 -3.973 1.654) 5.509 7.765 ( 2.263 1.702 -0.707) 2.919 7.798 ( 2.463 -1.874 -0.887) 3.220 7.886 ( 0.006 0.365 0.185) 0.409 7.890 ( 0.006 0.037 0.074) 0.083 7.984 ( 0.742 2.116 -3.197) 3.905 8.041 ( 1.622 -3.948 -2.813) 5.112 8.203 ( 0.079 0.349 0.339) 0.492 8.213 ( -0.004 -0.759 -0.233) 0.794 8.433 ( -3.595 1.574 3.234) 5.085 8.476 ( -3.256 -2.918 2.398) 4.987 ======================= Grid point 63 (29/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.308 0.000 -8.341) 8.973 0.671 ( -3.308 0.000 8.341) 8.973 0.776 ( 2.023 0.000 -11.077) 11.260 0.776 ( -2.023 0.000 11.077) 11.260 1.102 ( -4.429 0.000 -3.213) 5.472 1.102 ( 4.429 0.000 3.213) 5.472 1.196 ( 5.282 0.000 -3.625) 6.406 1.196 ( -5.282 0.000 3.625) 6.406 1.212 ( -0.742 0.000 -3.035) 3.124 1.212 ( 0.742 0.000 3.035) 3.124 1.344 ( -3.995 0.000 -19.103) 19.516 1.344 ( 3.995 0.000 19.103) 19.516 1.500 ( 0.150 0.000 -5.112) 5.114 1.500 ( -0.150 0.000 5.112) 5.114 1.633 ( -0.541 0.000 -4.587) 4.619 1.633 ( 0.541 0.000 4.587) 4.619 1.729 ( 2.040 0.000 -5.570) 5.932 1.729 ( -2.040 0.000 5.570) 5.932 1.798 ( 1.784 0.000 -0.602) 1.882 1.798 ( -1.784 0.000 0.602) 1.882 1.857 ( -2.608 0.000 -1.563) 3.040 1.857 ( 2.608 0.000 1.563) 3.040 1.899 ( 1.029 0.000 -4.934) 5.040 1.899 ( -1.029 0.000 4.934) 5.040 1.952 ( -1.254 0.000 -2.726) 3.001 1.952 ( 1.254 0.000 2.726) 3.001 2.004 ( 3.561 0.000 -3.654) 5.102 2.004 ( -3.561 0.000 3.654) 5.102 2.150 ( -0.359 0.000 -0.287) 0.459 2.150 ( 0.359 0.000 0.287) 0.459 2.197 ( -1.799 0.000 -2.997) 3.495 2.197 ( 1.799 0.000 2.997) 3.495 2.314 ( -1.460 0.000 -1.004) 1.772 2.314 ( 1.460 0.000 1.004) 1.772 2.395 ( -0.515 0.000 -0.466) 0.695 2.395 ( 0.515 0.000 0.466) 0.695 2.499 ( 2.073 0.000 -2.355) 3.137 2.499 ( -2.073 0.000 2.355) 3.137 2.656 ( -0.976 0.000 -0.310) 1.024 2.656 ( 0.976 0.000 0.310) 1.024 2.742 ( 1.483 0.000 -0.973) 1.774 2.742 ( -1.483 0.000 0.973) 1.774 2.854 ( -2.275 0.000 -0.519) 2.334 2.854 ( 2.275 0.000 0.519) 2.334 2.922 ( -0.208 0.000 -0.762) 0.790 2.922 ( 0.208 0.000 0.762) 0.790 2.951 ( -2.095 0.000 -1.521) 2.588 2.951 ( 2.095 0.000 1.521) 2.588 3.029 ( -4.619 0.000 0.260) 4.627 3.029 ( 4.619 0.000 -0.260) 4.627 3.101 ( -2.276 0.000 -1.124) 2.538 3.101 ( 2.276 0.000 1.124) 2.538 3.126 ( 2.384 0.000 -3.375) 4.133 3.126 ( -2.384 0.000 3.375) 4.133 3.186 ( -1.671 0.000 -5.226) 5.487 3.186 ( 1.671 0.000 5.226) 5.487 3.280 ( -3.605 0.000 -2.407) 4.335 3.280 ( 3.605 0.000 2.407) 4.335 3.368 ( -1.992 0.000 -2.314) 3.053 3.368 ( 1.992 0.000 2.314) 3.053 3.513 ( -2.561 0.000 -3.426) 4.277 3.513 ( 2.561 0.000 3.426) 4.277 3.551 ( 3.130 0.000 -1.490) 3.466 3.551 ( -3.130 0.000 1.490) 3.466 3.663 ( 3.032 0.000 -1.186) 3.256 3.663 ( -3.032 0.000 1.186) 3.256 3.694 ( -0.522 0.000 -2.856) 2.903 3.694 ( 0.522 0.000 2.856) 2.903 3.782 ( -3.160 0.000 -1.378) 3.448 3.782 ( 3.160 0.000 1.378) 3.448 3.878 ( -0.657 0.000 -4.547) 4.595 3.878 ( 0.657 0.000 4.547) 4.595 3.949 ( 0.994 0.000 -1.853) 2.103 3.949 ( -0.994 0.000 1.853) 2.103 4.083 ( 1.267 0.000 -1.013) 1.622 4.083 ( -1.267 0.000 1.013) 1.622 4.170 ( 1.630 0.000 -3.650) 3.998 4.170 ( -1.630 0.000 3.650) 3.998 4.211 ( -1.607 0.000 -0.973) 1.879 4.211 ( 1.607 0.000 0.973) 1.879 4.330 ( -2.197 0.000 -0.412) 2.236 4.330 ( 2.197 0.000 0.412) 2.236 4.406 ( -2.838 0.000 -0.221) 2.847 4.406 ( 2.838 0.000 0.221) 2.847 4.498 ( 1.556 0.000 -6.769) 6.945 4.498 ( -1.556 0.000 6.769) 6.945 4.664 ( -1.010 0.000 -2.269) 2.484 4.664 ( 1.010 0.000 2.269) 2.484 4.700 ( 3.783 0.000 -3.776) 5.345 4.700 ( -3.783 0.000 3.776) 5.345 4.878 ( -0.238 0.000 0.032) 0.240 4.878 ( 0.238 0.000 -0.032) 0.240 4.969 ( -5.574 0.000 -3.971) 6.844 4.969 ( 5.574 0.000 3.971) 6.844 5.119 ( 8.109 0.000 -2.817) 8.585 5.119 ( -8.109 0.000 2.817) 8.585 5.551 ( 1.912 0.000 -0.793) 2.070 5.551 ( -1.912 0.000 0.793) 2.070 5.702 ( -1.528 0.000 -3.709) 4.012 5.702 ( 1.528 0.000 3.709) 4.012 5.919 ( 0.977 0.000 -3.807) 3.930 5.919 ( -0.977 0.000 3.807) 3.930 6.315 ( 1.861 0.000 -9.215) 9.401 6.315 ( -1.861 0.000 9.215) 9.401 6.798 ( 1.802 0.000 -1.274) 2.207 6.798 ( -1.802 0.000 1.274) 2.207 7.160 ( 1.568 0.000 -1.152) 1.945 7.160 ( -1.568 0.000 1.152) 1.945 7.425 ( -2.907 0.000 0.743) 3.001 7.425 ( 2.907 0.000 -0.743) 3.001 7.741 ( -5.694 0.000 1.725) 5.949 7.741 ( 5.694 0.000 -1.725) 5.949 7.865 ( -0.158 0.000 -0.578) 0.599 7.865 ( 0.158 0.000 0.578) 0.599 8.166 ( 1.242 0.000 -5.492) 5.630 8.166 ( -1.242 0.000 5.492) 5.630 8.222 ( 0.537 0.000 -3.923) 3.959 8.222 ( -0.537 0.000 3.923) 3.959 8.549 ( -1.407 0.000 -0.707) 1.575 8.549 ( 1.407 0.000 0.707) 1.575 ======================= Grid point 65 (30/40) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 4.140 0.000 -0.604) 4.184 0.750 ( 7.524 0.000 -14.746) 16.555 0.805 ( 6.831 0.000 -6.204) 9.228 0.817 ( -0.842 0.000 11.158) 11.190 1.010 ( -2.485 0.000 6.924) 7.356 1.018 ( -9.406 0.000 4.920) 10.615 1.137 ( -6.389 0.000 3.633) 7.350 1.172 ( -1.809 0.000 4.713) 5.048 1.223 ( 0.949 0.000 0.993) 1.374 1.235 ( 8.482 0.000 -18.732) 20.563 1.304 ( 0.660 0.000 -1.450) 1.593 1.397 ( -3.850 0.000 -4.295) 5.768 1.517 ( -2.475 0.000 -6.696) 7.139 1.582 ( 2.767 0.000 4.627) 5.392 1.598 ( 5.923 0.000 0.884) 5.989 1.655 ( 3.617 0.000 6.219) 7.194 1.741 ( -4.250 0.000 -1.227) 4.424 1.744 ( -4.182 0.000 4.228) 5.947 1.773 ( 2.658 0.000 1.911) 3.274 1.776 ( -2.066 0.000 -0.047) 2.066 1.835 ( 2.395 0.000 -3.904) 4.580 1.888 ( -0.584 0.000 -0.500) 0.769 1.903 ( -2.545 0.000 5.064) 5.668 1.909 ( 0.874 0.000 0.342) 0.938 1.933 ( 1.487 0.000 0.691) 1.640 1.972 ( -0.850 0.000 0.157) 0.864 1.996 ( -1.299 0.000 6.029) 6.168 2.040 ( -0.550 0.000 -3.216) 3.263 2.100 ( -2.287 0.000 -1.777) 2.896 2.106 ( 0.116 0.000 -3.399) 3.401 2.188 ( 0.412 0.000 -0.925) 1.012 2.260 ( -1.994 0.000 1.679) 2.607 2.295 ( -0.264 0.000 -2.910) 2.922 2.297 ( 2.360 0.000 1.726) 2.924 2.358 ( 1.067 0.000 -4.900) 5.015 2.405 ( 0.186 0.000 1.805) 1.815 2.518 ( 0.756 0.000 3.324) 3.409 2.552 ( 2.142 0.000 0.860) 2.308 2.641 ( -0.529 0.000 0.403) 0.665 2.658 ( -0.877 0.000 -0.155) 0.891 2.744 ( 0.892 0.000 1.560) 1.797 2.763 ( -0.158 0.000 -2.314) 2.319 2.827 ( 2.518 0.000 -1.158) 2.771 2.869 ( -0.944 0.000 0.952) 1.341 2.916 ( 0.268 0.000 -1.684) 1.705 2.921 ( -1.804 0.000 2.150) 2.807 2.950 ( -0.997 0.000 -0.743) 1.243 2.958 ( 2.939 0.000 1.806) 3.450 2.992 ( 0.870 0.000 -0.269) 0.911 3.030 ( -2.406 0.000 2.142) 3.221 3.047 ( -1.152 0.000 -2.214) 2.496 3.066 ( -4.176 0.000 0.733) 4.240 3.138 ( 0.042 0.000 -3.509) 3.509 3.146 ( 0.168 0.000 2.163) 2.169 3.192 ( 1.415 0.000 -5.172) 5.362 3.200 ( -0.665 0.000 0.311) 0.734 3.240 ( -5.620 0.000 1.400) 5.792 3.292 ( -5.178 0.000 -0.611) 5.214 3.335 ( 4.721 0.000 1.807) 5.055 3.366 ( 1.414 0.000 -0.807) 1.628 3.439 ( -6.106 0.000 1.112) 6.207 3.471 ( -2.304 0.000 1.465) 2.730 3.551 ( -4.784 0.000 -0.238) 4.790 3.560 ( -1.644 0.000 -3.451) 3.822 3.637 ( 3.273 0.000 4.760) 5.776 3.641 ( 0.979 0.000 -1.654) 1.922 3.696 ( -1.694 0.000 4.999) 5.278 3.708 ( 3.603 0.000 -0.347) 3.620 3.785 ( 0.366 0.000 -0.795) 0.875 3.835 ( -0.096 0.000 -5.646) 5.647 3.908 ( 3.691 0.000 -0.530) 3.729 3.909 ( -0.217 0.000 2.694) 2.702 3.969 ( 1.617 0.000 2.761) 3.200 3.996 ( 6.182 0.000 -0.455) 6.198 4.082 ( -0.985 0.000 -1.960) 2.194 4.119 ( 3.301 0.000 1.111) 3.482 4.166 ( 0.532 0.000 0.076) 0.537 4.168 ( 1.830 0.000 -3.593) 4.032 4.245 ( 2.664 0.000 1.641) 3.129 4.260 ( 0.341 0.000 -0.639) 0.724 4.309 ( -3.118 0.000 1.929) 3.666 4.346 ( -1.481 0.000 -1.639) 2.209 4.390 ( 4.430 0.000 3.619) 5.721 4.423 ( 1.499 0.000 -2.977) 3.333 4.496 ( -3.241 0.000 4.678) 5.690 4.545 ( 3.531 0.000 -0.345) 3.548 4.622 ( -1.626 0.000 -1.878) 2.484 4.628 ( -4.328 0.000 3.749) 5.726 4.672 ( -1.179 0.000 0.156) 1.189 4.732 ( 1.984 0.000 -2.960) 3.564 4.851 ( -3.529 0.000 0.090) 3.530 4.852 ( -2.673 0.000 0.180) 2.679 4.885 ( 0.189 0.000 -2.490) 2.497 4.943 ( -6.612 0.000 -0.820) 6.662 5.126 ( 4.758 0.000 5.174) 7.030 5.213 ( 3.729 0.000 -4.443) 5.800 5.515 ( -1.361 0.000 -0.626) 1.498 5.541 ( -1.125 0.000 -3.921) 4.079 5.730 ( 5.282 0.000 -0.837) 5.348 5.774 ( 2.055 0.000 3.697) 4.230 5.898 ( -0.057 0.000 -4.075) 4.076 5.913 ( -1.664 0.000 3.375) 3.763 6.284 ( 0.929 0.000 -7.158) 7.218 6.312 ( -4.960 0.000 10.675) 11.771 6.740 ( -2.835 0.000 0.128) 2.838 6.769 ( -2.238 0.000 -2.585) 3.419 7.197 ( 3.624 0.000 0.353) 3.642 7.217 ( 3.723 0.000 -1.859) 4.161 7.379 ( -2.582 0.000 4.011) 4.770 7.426 ( -1.900 0.000 -1.764) 2.593 7.764 ( 5.817 0.000 2.810) 6.460 7.855 ( 1.570 0.000 -0.941) 1.831 7.875 ( 0.405 0.000 0.351) 0.535 7.901 ( 7.830 0.000 -2.543) 8.233 8.116 ( -1.451 0.000 -8.422) 8.546 8.151 ( -3.394 0.000 5.163) 6.178 8.214 ( 0.948 0.000 -3.219) 3.356 8.232 ( -1.271 0.000 3.776) 3.984 8.506 ( -2.071 0.000 0.296) 2.092 8.541 ( -3.148 0.000 2.242) 3.865 ======================= Grid point 66 (31/40) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 1.263 0.000 -1.051) 1.643 0.745 ( -1.263 0.000 1.051) 1.643 0.883 ( -0.273 0.000 -0.001) 0.273 0.883 ( 0.273 0.000 0.001) 0.273 0.990 ( -5.416 0.000 0.211) 5.420 0.990 ( 5.416 0.000 -0.211) 5.420 1.109 ( -2.744 0.000 -6.642) 7.186 1.109 ( 2.744 0.000 6.642) 7.186 1.277 ( -0.279 0.000 -5.519) 5.526 1.277 ( 0.279 0.000 5.519) 5.526 1.305 ( -1.780 0.000 0.486) 1.845 1.305 ( 1.780 0.000 -0.486) 1.845 1.539 ( 11.812 0.000 -6.506) 13.486 1.539 ( -11.812 0.000 6.506) 13.486 1.661 ( -0.799 0.000 -1.410) 1.621 1.661 ( 0.799 0.000 1.410) 1.621 1.718 ( -0.305 0.000 -2.351) 2.371 1.718 ( 0.305 0.000 2.351) 2.371 1.820 ( 7.552 0.000 -3.068) 8.152 1.820 ( -7.552 0.000 3.068) 8.152 1.853 ( -1.458 0.000 -2.192) 2.633 1.853 ( 1.458 0.000 2.192) 2.633 1.887 ( 2.964 0.000 -1.605) 3.371 1.887 ( -2.964 0.000 1.605) 3.371 1.953 ( -2.227 0.000 0.112) 2.230 1.953 ( 2.227 0.000 -0.112) 2.230 1.994 ( -1.077 0.000 -0.906) 1.407 1.994 ( 1.077 0.000 0.906) 1.407 2.089 ( -0.205 0.000 -2.913) 2.920 2.089 ( 0.205 0.000 2.913) 2.920 2.218 ( 2.886 0.000 -1.083) 3.083 2.218 ( -2.886 0.000 1.083) 3.083 2.319 ( 1.819 0.000 -1.572) 2.404 2.319 ( -1.819 0.000 1.572) 2.404 2.387 ( 3.039 0.000 -2.469) 3.916 2.387 ( -3.039 0.000 2.469) 3.916 2.555 ( -1.447 0.000 -0.663) 1.591 2.555 ( 1.447 0.000 0.663) 1.591 2.637 ( -0.199 0.000 -0.687) 0.716 2.637 ( 0.199 0.000 0.687) 0.716 2.782 ( 1.103 0.000 -2.032) 2.312 2.782 ( -1.103 0.000 2.032) 2.312 2.856 ( 1.501 0.000 -2.477) 2.896 2.856 ( -1.501 0.000 2.477) 2.896 2.917 ( -0.725 0.000 -0.714) 1.017 2.917 ( 0.725 0.000 0.714) 1.017 2.954 ( -1.788 0.000 -3.539) 3.965 2.954 ( 1.788 0.000 3.539) 3.965 3.008 ( -1.451 0.000 0.008) 1.451 3.008 ( 1.451 0.000 -0.008) 1.451 3.023 ( 0.420 0.000 -0.310) 0.522 3.023 ( -0.420 0.000 0.310) 0.522 3.138 ( 0.112 0.000 -1.779) 1.782 3.138 ( -0.112 0.000 1.779) 1.782 3.142 ( 3.345 0.000 -2.005) 3.900 3.142 ( -3.345 0.000 2.005) 3.900 3.254 ( -2.381 0.000 -1.980) 3.096 3.254 ( 2.381 0.000 1.980) 3.096 3.350 ( 1.404 0.000 -1.504) 2.058 3.350 ( -1.404 0.000 1.504) 2.058 3.450 ( -0.784 0.000 -2.602) 2.717 3.450 ( 0.784 0.000 2.602) 2.717 3.494 ( -1.889 0.000 0.283) 1.910 3.494 ( 1.889 0.000 -0.283) 1.910 3.671 ( 2.568 0.000 -4.192) 4.916 3.671 ( -2.568 0.000 4.192) 4.916 3.731 ( -1.060 0.000 -3.297) 3.464 3.731 ( 1.060 0.000 3.297) 3.464 3.796 ( -0.425 0.000 -3.659) 3.683 3.796 ( 0.425 0.000 3.659) 3.683 3.923 ( -0.013 0.000 -1.980) 1.980 3.923 ( 0.013 0.000 1.980) 1.980 4.034 ( -2.382 0.000 -2.808) 3.682 4.034 ( 2.382 0.000 2.808) 3.682 4.120 ( -2.760 0.000 -2.167) 3.509 4.120 ( 2.760 0.000 2.167) 3.509 4.194 ( 4.238 0.000 -2.477) 4.909 4.194 ( -4.238 0.000 2.477) 4.909 4.243 ( -2.882 0.000 -2.174) 3.610 4.243 ( 2.882 0.000 2.174) 3.610 4.310 ( 2.138 0.000 -2.028) 2.946 4.310 ( -2.138 0.000 2.028) 2.946 4.444 ( 2.707 0.000 -2.951) 4.004 4.444 ( -2.707 0.000 2.951) 4.004 4.508 ( -3.692 0.000 0.103) 3.694 4.508 ( 3.692 0.000 -0.103) 3.694 4.607 ( -1.059 0.000 -2.245) 2.482 4.607 ( 1.059 0.000 2.245) 2.482 4.712 ( -3.540 0.000 -2.887) 4.568 4.712 ( 3.540 0.000 2.887) 4.568 4.805 ( 0.438 0.000 -0.277) 0.518 4.805 ( -0.438 0.000 0.277) 0.518 4.883 ( 0.604 0.000 -0.476) 0.769 4.883 ( -0.604 0.000 0.476) 0.769 5.214 ( -0.519 0.000 -5.188) 5.214 5.214 ( 0.519 0.000 5.188) 5.214 5.503 ( -0.174 0.000 -1.762) 1.771 5.503 ( 0.174 0.000 1.762) 1.771 5.802 ( 1.708 0.000 -2.733) 3.222 5.802 ( -1.708 0.000 2.733) 3.222 5.896 ( 2.020 0.000 -2.545) 3.249 5.896 ( -2.020 0.000 2.545) 3.249 6.279 ( 3.813 0.000 -8.422) 9.245 6.279 ( -3.813 0.000 8.422) 9.245 6.723 ( -0.509 0.000 -1.673) 1.749 6.723 ( 0.509 0.000 1.673) 1.749 7.246 ( -0.065 0.000 -1.408) 1.409 7.246 ( 0.065 0.000 1.408) 1.409 7.380 ( 0.156 0.000 -4.827) 4.830 7.380 ( -0.156 0.000 4.827) 4.830 7.866 ( 0.203 0.000 -0.897) 0.920 7.866 ( -0.203 0.000 0.897) 0.920 7.924 ( -5.274 0.000 -2.144) 5.693 7.924 ( 5.274 0.000 2.144) 5.693 8.100 ( 6.059 0.000 -8.257) 10.241 8.100 ( -6.059 0.000 8.257) 10.241 8.220 ( 1.918 0.000 -3.473) 3.967 8.220 ( -1.918 0.000 3.473) 3.967 8.495 ( 1.593 0.000 -1.234) 2.015 8.495 ( -1.593 0.000 1.234) 2.015 ======================= Grid point 69 (32/40) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.617 4.174 -11.533) 12.372 0.710 ( -1.617 4.174 11.533) 12.372 0.825 ( 2.542 5.065 -15.001) 16.036 0.825 ( -2.542 5.065 15.001) 16.036 1.140 ( -3.084 3.182 -3.402) 5.587 1.140 ( 3.084 3.182 3.402) 5.587 1.179 ( 1.488 0.244 -2.707) 3.098 1.179 ( -1.488 0.244 2.707) 3.098 1.280 ( 0.800 4.821 -2.275) 5.390 1.280 ( -0.800 4.821 2.275) 5.390 1.377 ( -3.717 1.488 -11.085) 11.786 1.377 ( 3.717 1.488 11.085) 11.786 1.483 ( 0.350 -0.142 -8.022) 8.031 1.483 ( -0.350 -0.142 8.022) 8.031 1.634 ( -1.548 -0.199 -0.942) 1.823 1.634 ( 1.548 -0.199 0.942) 1.823 1.712 ( -0.997 -3.274 -4.540) 5.685 1.712 ( 0.997 -3.274 4.540) 5.685 1.759 ( -0.005 -2.000 -0.812) 2.159 1.759 ( 0.005 -2.000 0.812) 2.159 1.794 ( 0.954 -3.044 -2.667) 4.158 1.794 ( -0.954 -3.044 2.667) 4.158 1.899 ( -1.438 0.028 -2.734) 3.089 1.899 ( 1.438 0.028 2.734) 3.089 1.992 ( 2.405 -0.257 -1.145) 2.676 1.992 ( -2.405 -0.257 1.145) 2.676 2.051 ( 1.823 6.157 -4.011) 7.571 2.051 ( -1.823 6.157 4.011) 7.571 2.176 ( -2.557 -1.868 -3.772) 4.925 2.176 ( 2.557 -1.868 3.772) 4.925 2.202 ( -1.050 3.759 -3.556) 5.280 2.202 ( 1.050 3.759 3.556) 5.280 2.290 ( -2.946 -1.701 -1.248) 3.624 2.290 ( 2.946 -1.701 1.248) 3.624 2.380 ( -1.191 -2.247 -2.378) 3.482 2.380 ( 1.191 -2.247 2.378) 3.482 2.502 ( 3.811 0.403 -2.243) 4.441 2.502 ( -3.811 0.403 2.243) 4.441 2.646 ( 3.033 -2.188 -1.214) 3.932 2.646 ( -3.033 -2.188 1.214) 3.932 2.710 ( 1.473 -0.880 -3.192) 3.624 2.710 ( -1.473 -0.880 3.192) 3.624 2.845 ( -2.581 -2.984 0.036) 3.945 2.845 ( 2.581 -2.984 -0.036) 3.945 2.891 ( 0.119 -3.298 -1.711) 3.717 2.891 ( -0.119 -3.298 1.711) 3.717 2.923 ( -2.496 -2.984 -0.892) 3.991 2.923 ( 2.496 -2.984 0.892) 3.991 2.968 ( -1.793 1.094 -0.238) 2.114 2.968 ( 1.793 1.094 0.238) 2.114 3.095 ( 0.794 -2.526 -0.823) 2.773 3.095 ( -0.794 -2.526 0.823) 2.773 3.139 ( -2.120 -0.269 -0.993) 2.356 3.139 ( 2.120 -0.269 0.993) 2.356 3.231 ( -2.280 3.242 0.184) 3.968 3.231 ( 2.280 3.242 -0.184) 3.968 3.284 ( 0.390 0.123 -1.382) 1.441 3.284 ( -0.390 0.123 1.382) 1.441 3.397 ( 1.859 2.775 -2.078) 3.933 3.397 ( -1.859 2.775 2.078) 3.933 3.508 ( -1.681 -1.028 -2.361) 3.076 3.508 ( 1.681 -1.028 2.361) 3.076 3.583 ( -0.007 1.676 -2.453) 2.970 3.583 ( 0.007 1.676 2.453) 2.970 3.659 ( 1.388 0.299 -1.846) 2.329 3.659 ( -1.388 0.299 1.846) 2.329 3.687 ( 0.695 0.212 -2.032) 2.158 3.687 ( -0.695 0.212 2.032) 2.158 3.773 ( -1.207 0.743 -3.596) 3.865 3.773 ( 1.207 0.743 3.596) 3.865 3.944 ( -1.380 4.566 -3.112) 5.696 3.944 ( 1.380 4.566 3.112) 5.696 3.959 ( 2.085 1.447 -1.826) 3.126 3.959 ( -2.085 1.447 1.826) 3.126 4.077 ( 1.456 -0.527 -1.420) 2.101 4.077 ( -1.456 -0.527 1.420) 2.101 4.163 ( -0.605 0.187 -2.764) 2.835 4.163 ( 0.605 0.187 2.764) 2.835 4.237 ( -0.638 1.777 -2.842) 3.412 4.237 ( 0.638 1.777 2.842) 3.412 4.323 ( 0.205 -1.694 -0.830) 1.897 4.323 ( -0.205 -1.694 0.830) 1.897 4.394 ( -0.525 0.394 -0.900) 1.114 4.394 ( 0.525 0.394 0.900) 1.114 4.492 ( -0.955 -0.782 -4.381) 4.552 4.492 ( 0.955 -0.782 4.381) 4.552 4.643 ( 0.833 -1.039 -1.497) 2.004 4.643 ( -0.833 -1.039 1.497) 2.004 4.715 ( 0.321 0.088 -3.128) 3.146 4.715 ( -0.321 0.088 3.128) 3.146 4.864 ( 0.347 -1.413 -2.472) 2.868 4.864 ( -0.347 -1.413 2.472) 2.868 4.952 ( -6.491 -1.467 -1.701) 6.869 4.952 ( 6.491 -1.467 1.701) 6.869 5.087 ( -4.200 -3.168 -0.047) 5.261 5.087 ( 4.200 -3.168 0.047) 5.261 5.554 ( 1.041 0.002 -1.735) 2.024 5.554 ( -1.041 0.002 1.735) 2.024 5.733 ( -2.296 2.903 -3.778) 5.289 5.733 ( 2.296 2.903 3.778) 5.289 5.929 ( 0.334 1.191 -3.517) 3.728 5.929 ( -0.334 1.191 3.517) 3.728 6.314 ( 0.346 0.384 -7.134) 7.152 6.314 ( -0.346 0.384 7.134) 7.152 6.839 ( 2.983 3.258 -4.187) 6.086 6.839 ( -2.983 3.258 4.187) 6.086 7.162 ( 3.219 0.159 -3.115) 4.483 7.162 ( -3.219 0.159 3.115) 4.483 7.428 ( -4.398 0.435 -0.507) 4.449 7.428 ( 4.398 0.435 0.507) 4.449 7.757 ( -5.312 1.570 1.102) 5.648 7.757 ( 5.312 1.570 -1.102) 5.648 7.868 ( -0.256 0.410 -0.372) 0.609 7.868 ( 0.256 0.410 0.372) 0.609 8.127 ( -0.396 -3.906 -4.978) 6.340 8.127 ( 0.396 -3.906 4.978) 6.340 8.219 ( 0.542 -0.249 -1.895) 1.987 8.219 ( -0.542 -0.249 1.895) 1.987 8.521 ( -0.844 -2.652 -1.699) 3.261 8.521 ( 0.844 -2.652 1.699) 3.261 ======================= Grid point 71 (33/40) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 8.868 1.043 -10.249) 13.594 0.799 ( 1.505 5.324 5.646) 7.905 0.803 ( 4.183 3.004 -12.291) 13.326 0.896 ( 1.116 6.246 7.766) 10.028 1.018 ( -4.372 1.382 5.159) 6.902 1.052 ( -6.493 3.166 3.889) 8.204 1.134 ( -6.261 -0.008 4.142) 7.507 1.185 ( -2.465 1.345 0.977) 2.973 1.269 ( 0.297 4.785 3.224) 5.777 1.298 ( 1.950 1.914 -8.614) 9.037 1.322 ( -1.039 0.350 -3.062) 3.253 1.413 ( -0.731 4.577 -8.384) 9.580 1.522 ( 3.641 -1.425 -2.046) 4.413 1.532 ( 0.869 -0.483 -0.166) 1.007 1.600 ( -1.036 -3.075 3.585) 4.835 1.661 ( 2.125 -1.249 0.635) 2.546 1.691 ( 2.379 -0.237 -0.280) 2.407 1.735 ( -3.415 -1.716 3.461) 5.156 1.745 ( -1.047 -1.571 1.870) 2.657 1.756 ( 1.661 -1.287 1.879) 2.819 1.828 ( 2.325 -2.359 -1.971) 3.854 1.835 ( -0.893 -2.776 1.040) 3.096 1.868 ( 4.329 -0.355 0.375) 4.360 1.937 ( -0.872 -0.049 0.421) 0.970 1.957 ( -0.194 1.294 1.145) 1.738 2.017 ( -1.975 -0.900 -3.355) 3.996 2.027 ( -2.634 1.717 2.231) 3.855 2.044 ( -1.580 6.353 2.284) 6.934 2.106 ( -1.245 0.656 -3.562) 3.829 2.164 ( -1.094 2.095 -0.996) 2.565 2.207 ( 0.122 1.701 -0.432) 1.759 2.229 ( -0.993 -1.110 -1.213) 1.921 2.273 ( 2.097 -0.279 3.523) 4.109 2.319 ( 0.665 -0.896 -1.546) 1.907 2.351 ( 1.562 -0.382 -3.724) 4.056 2.395 ( -0.645 -1.717 1.223) 2.204 2.497 ( 0.819 -1.145 4.600) 4.811 2.564 ( 2.356 1.005 -0.397) 2.592 2.611 ( -1.194 -4.288 2.144) 4.940 2.679 ( 0.254 1.799 -1.041) 2.094 2.716 ( 0.650 -0.993 1.728) 2.097 2.751 ( 2.406 -1.833 -2.082) 3.672 2.768 ( -3.050 -2.814 -0.365) 4.166 2.828 ( -1.313 -4.385 -0.709) 4.632 2.863 ( -2.275 -4.455 -0.338) 5.014 2.884 ( 0.641 -0.933 0.807) 1.391 2.940 ( 1.703 -1.457 0.114) 2.244 2.946 ( 2.000 -1.124 1.588) 2.790 3.013 ( 1.897 -4.132 -0.916) 4.638 3.022 ( 1.438 3.024 0.825) 3.449 3.043 ( -1.356 2.045 0.760) 2.568 3.100 ( 0.546 -1.124 -0.413) 1.316 3.122 ( 0.668 -3.460 -0.548) 3.566 3.133 ( -2.870 1.050 0.126) 3.058 3.205 ( -1.473 2.685 -1.711) 3.508 3.217 ( -1.983 3.853 -1.035) 4.456 3.255 ( -3.147 -1.403 -2.053) 4.011 3.332 ( -4.232 1.571 1.980) 4.930 3.335 ( 1.722 2.160 0.945) 2.920 3.393 ( 1.546 1.974 -1.203) 2.781 3.439 ( -5.122 -0.716 -1.947) 5.526 3.486 ( -3.094 1.712 0.826) 3.632 3.546 ( -2.924 -0.686 1.307) 3.276 3.578 ( -1.430 1.925 -2.100) 3.188 3.612 ( 1.488 -0.834 1.017) 1.986 3.665 ( 0.608 1.483 1.543) 2.225 3.696 ( 0.384 -0.829 3.682) 3.793 3.725 ( 1.800 1.243 -0.703) 2.298 3.794 ( 2.195 1.663 -1.656) 3.213 3.849 ( 1.833 -0.487 -1.962) 2.728 3.901 ( -0.191 2.559 0.201) 2.574 3.931 ( -1.314 1.708 0.889) 2.331 3.994 ( 2.785 2.256 0.297) 3.597 4.038 ( 4.123 1.633 0.198) 4.439 4.088 ( 0.857 0.018 -0.131) 0.867 4.116 ( 3.194 2.127 0.537) 3.875 4.152 ( 1.470 -1.111 -2.965) 3.491 4.182 ( 0.400 1.003 1.123) 1.558 4.259 ( 2.356 -0.737 -1.619) 2.952 4.262 ( -2.864 -1.125 -1.555) 3.447 4.275 ( -0.243 0.948 1.240) 1.580 4.341 ( 3.675 -1.599 1.528) 4.289 4.399 ( -1.090 2.880 0.170) 3.084 4.441 ( 1.766 0.374 1.487) 2.338 4.496 ( 2.527 -3.398 1.224) 4.407 4.522 ( -0.284 2.104 2.796) 3.511 4.621 ( -1.485 -0.133 3.123) 3.460 4.655 ( 0.337 -1.232 -1.831) 2.233 4.677 ( -2.951 2.142 -1.070) 3.801 4.726 ( 0.209 -0.179 -0.044) 0.279 4.807 ( -4.628 -3.203 -0.873) 5.696 4.841 ( -1.939 -1.263 -0.647) 2.403 4.854 ( -1.539 -3.149 -0.478) 3.537 4.948 ( -5.268 -0.259 -1.797) 5.572 5.094 ( 4.441 -2.669 3.096) 6.036 5.167 ( 3.109 -4.384 -3.044) 6.177 5.503 ( -1.951 -1.208 -0.301) 2.314 5.544 ( -1.786 -0.181 -3.643) 4.061 5.739 ( 4.160 1.055 -1.448) 4.529 5.805 ( 1.329 2.405 3.075) 4.124 5.912 ( 0.657 2.318 -1.536) 2.857 5.955 ( 0.046 2.918 1.819) 3.439 6.260 ( -0.258 0.119 -0.834) 0.881 6.357 ( -1.426 3.485 4.074) 5.547 6.782 ( -3.100 3.276 0.901) 4.600 6.810 ( -1.928 3.859 -5.038) 6.632 7.169 ( 2.036 -2.144 1.942) 3.537 7.212 ( 2.779 -0.995 -3.210) 4.360 7.370 ( -1.374 -0.292 1.792) 2.276 7.464 ( -2.818 2.736 1.210) 4.110 7.749 ( 4.828 -1.271 2.288) 5.492 7.862 ( 1.085 0.540 -0.517) 1.317 7.875 ( 0.569 0.097 0.312) 0.656 7.906 ( 6.995 0.519 -2.115) 7.326 8.040 ( -3.514 -6.034 -4.516) 8.316 8.141 ( -2.501 -2.440 2.279) 4.171 8.218 ( 0.634 0.223 -2.100) 2.205 8.222 ( -0.596 -0.658 2.154) 2.330 8.487 ( -0.777 -1.517 -0.193) 1.715 8.533 ( -1.841 -0.947 2.434) 3.195 ======================= Grid point 72 (34/40) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 2.690 3.858 -5.404) 7.164 0.791 ( -2.690 3.858 5.404) 7.164 0.896 ( 3.208 1.689 -5.973) 6.987 0.896 ( -3.208 1.689 5.973) 6.987 1.022 ( 0.035 3.319 -1.887) 3.818 1.022 ( -0.035 3.319 1.887) 3.818 1.116 ( -2.781 0.661 -6.861) 7.432 1.116 ( 2.781 0.661 6.861) 7.432 1.265 ( -0.196 -1.169 -2.922) 3.154 1.265 ( 0.196 -1.169 2.922) 3.154 1.339 ( -2.179 3.222 -4.905) 6.259 1.339 ( 2.179 3.222 4.905) 6.259 1.558 ( 5.977 1.542 -6.192) 8.743 1.558 ( -5.977 1.542 6.192) 8.743 1.612 ( -5.377 -3.563 0.805) 6.501 1.612 ( 5.377 -3.563 -0.805) 6.501 1.713 ( 1.251 0.598 -2.844) 3.164 1.713 ( -1.251 0.598 2.844) 3.164 1.801 ( -1.872 -2.783 -2.739) 4.331 1.801 ( 1.872 -2.783 2.739) 4.331 1.848 ( -2.140 -0.588 -3.763) 4.369 1.848 ( 2.140 -0.588 3.763) 4.369 1.903 ( -0.668 -1.123 -4.054) 4.260 1.903 ( 0.668 -1.123 4.054) 4.260 1.959 ( 3.102 2.400 -2.361) 4.578 1.959 ( -3.102 2.400 2.361) 4.578 2.012 ( -1.501 3.067 -1.827) 3.873 2.012 ( 1.501 3.067 1.827) 3.873 2.115 ( -0.493 0.848 -3.197) 3.344 2.115 ( 0.493 0.848 3.197) 3.344 2.222 ( 0.952 0.224 -2.428) 2.618 2.222 ( -0.952 0.224 2.428) 2.618 2.312 ( -0.719 -1.059 -1.432) 1.921 2.312 ( 0.719 -1.059 1.432) 1.921 2.378 ( 2.277 -0.807 -2.800) 3.698 2.378 ( -2.277 -0.807 2.800) 3.698 2.550 ( -1.463 -1.122 -2.941) 3.471 2.550 ( 1.463 -1.122 2.941) 3.471 2.645 ( -1.275 0.868 -2.967) 3.344 2.645 ( 1.275 0.868 2.967) 3.344 2.727 ( -0.112 -3.238 -0.927) 3.370 2.727 ( 0.112 -3.238 0.927) 3.370 2.806 ( -0.722 -3.862 -1.121) 4.085 2.806 ( 0.722 -3.862 1.121) 4.085 2.870 ( -2.970 -2.309 -1.916) 4.222 2.870 ( 2.970 -2.309 1.916) 4.222 2.978 ( -0.939 -1.336 -2.769) 3.215 2.978 ( 0.939 -1.336 2.769) 3.215 3.017 ( -0.060 0.645 -0.690) 0.947 3.017 ( 0.060 0.645 0.690) 0.947 3.068 ( -0.478 0.099 -2.408) 2.457 3.068 ( 0.478 0.099 2.408) 2.457 3.107 ( -3.112 3.746 -1.521) 5.102 3.107 ( 3.112 3.746 1.521) 5.102 3.186 ( 0.758 1.965 -1.688) 2.699 3.186 ( -0.758 1.965 1.688) 2.699 3.248 ( -5.622 -0.043 -2.341) 6.090 3.248 ( 5.622 -0.043 2.341) 6.090 3.344 ( -2.068 -1.421 -1.584) 2.968 3.344 ( 2.068 -1.421 1.584) 2.968 3.477 ( -0.014 2.157 -2.668) 3.431 3.477 ( 0.014 2.157 2.668) 3.431 3.509 ( -2.811 1.850 -1.460) 3.668 3.509 ( 2.811 1.850 1.460) 3.668 3.664 ( 1.004 -0.784 -3.982) 4.181 3.664 ( -1.004 -0.784 3.982) 4.181 3.728 ( -0.550 0.036 -2.672) 2.729 3.728 ( 0.550 0.036 2.672) 2.729 3.826 ( -0.947 1.891 -2.827) 3.531 3.826 ( 0.947 1.891 2.827) 3.531 3.916 ( 0.589 0.467 -2.119) 2.248 3.916 ( -0.589 0.467 2.119) 2.248 4.047 ( -1.512 1.401 -0.734) 2.188 4.047 ( 1.512 1.401 0.734) 2.188 4.142 ( -1.565 -3.203 -1.591) 3.904 4.142 ( 1.565 -3.203 1.591) 3.904 4.167 ( -0.919 2.721 -2.518) 3.819 4.167 ( 0.919 2.721 2.518) 3.819 4.254 ( -0.559 0.905 -2.266) 2.503 4.254 ( 0.559 0.905 2.266) 2.503 4.325 ( -1.030 1.727 -1.429) 2.467 4.325 ( 1.030 1.727 1.429) 2.467 4.433 ( 3.048 -1.400 -1.343) 3.614 4.433 ( -3.048 -1.400 1.343) 3.614 4.546 ( 0.629 2.665 -2.342) 3.603 4.546 ( -0.629 2.665 2.342) 3.603 4.601 ( -0.202 -0.044 -3.197) 3.204 4.601 ( 0.202 -0.044 3.197) 3.204 4.697 ( -2.801 -1.622 -2.492) 4.085 4.697 ( 2.801 -1.622 2.492) 4.085 4.791 ( -1.307 -1.193 -1.934) 2.622 4.791 ( 1.307 -1.193 1.934) 2.622 4.859 ( -1.279 -2.188 -1.583) 2.988 4.859 ( 1.279 -2.188 1.583) 2.988 5.170 ( -0.650 -4.055 -3.742) 5.556 5.170 ( 0.650 -4.055 3.742) 5.556 5.494 ( -0.389 -1.204 -2.118) 2.467 5.494 ( 0.389 -1.204 2.118) 2.467 5.804 ( 1.769 0.258 -2.696) 3.235 5.804 ( -1.769 0.258 2.696) 3.235 5.939 ( 1.209 3.701 -2.786) 4.788 5.939 ( -1.209 3.701 2.786) 4.788 6.307 ( 2.149 3.820 -6.015) 7.443 6.307 ( -2.149 3.820 6.015) 7.443 6.760 ( -0.123 3.199 -2.234) 3.904 6.760 ( 0.123 3.199 2.234) 3.904 7.216 ( -0.558 -2.704 -2.429) 3.677 7.216 ( 0.558 -2.704 2.429) 3.677 7.396 ( -0.376 1.094 -3.714) 3.890 7.396 ( 0.376 1.094 3.714) 3.890 7.866 ( -1.268 -0.608 -1.495) 2.053 7.866 ( 1.268 -0.608 1.495) 2.053 7.898 ( -4.127 -2.180 -1.586) 4.929 7.898 ( 4.127 -2.180 1.586) 4.929 8.065 ( 4.383 -3.132 -6.434) 8.391 8.065 ( -4.383 -3.132 6.434) 8.391 8.220 ( 0.956 -0.098 -2.230) 2.428 8.220 ( -0.956 -0.098 2.230) 2.428 8.498 ( 1.625 0.289 -2.710) 3.173 8.498 ( -1.625 0.289 2.710) 3.173 ======================= Grid point 75 (35/40) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -1.818 5.920 -5.130) 8.041 0.811 ( 1.818 5.920 5.130) 8.041 0.958 ( 1.407 8.911 -9.289) 12.949 0.958 ( -1.407 8.911 9.289) 12.949 1.178 ( -1.535 0.929 -0.176) 1.802 1.178 ( 1.535 0.929 0.176) 1.802 1.215 ( 2.865 2.878 -5.382) 6.742 1.215 ( -2.865 2.878 5.382) 6.742 1.330 ( -2.799 -4.144 -3.526) 6.119 1.330 ( 2.799 -4.144 3.526) 6.119 1.374 ( -0.230 4.364 -1.867) 4.752 1.374 ( 0.230 4.364 1.867) 4.752 1.497 ( -0.541 -1.730 -5.344) 5.643 1.497 ( 0.541 -1.730 5.344) 5.643 1.624 ( -1.272 -5.198 -1.116) 5.467 1.624 ( 1.272 -5.198 1.116) 5.467 1.655 ( -3.744 1.751 -1.500) 4.397 1.655 ( 3.744 1.751 1.500) 4.397 1.733 ( -0.375 1.779 -2.017) 2.715 1.733 ( 0.375 1.779 2.017) 2.715 1.778 ( 0.118 -0.303 -0.804) 0.867 1.778 ( -0.118 -0.303 0.804) 0.867 1.898 ( -2.690 -0.092 -4.974) 5.655 1.898 ( 2.690 -0.092 4.974) 5.655 2.002 ( 2.450 1.078 -2.143) 3.429 2.002 ( -2.450 1.078 2.143) 3.429 2.107 ( -2.657 -2.769 -5.466) 6.678 2.107 ( 2.657 -2.769 5.466) 6.678 2.155 ( -1.425 1.981 -0.869) 2.591 2.155 ( 1.425 1.981 0.869) 2.591 2.238 ( -3.469 0.693 -0.988) 3.673 2.238 ( 3.469 0.693 0.988) 3.673 2.294 ( 1.664 1.243 -2.621) 3.344 2.294 ( -1.664 1.243 2.621) 3.344 2.334 ( 0.840 -1.241 -1.748) 2.303 2.334 ( -0.840 -1.241 1.748) 2.303 2.482 ( 2.398 -2.357 -2.664) 4.290 2.482 ( -2.398 -2.357 2.664) 4.290 2.618 ( -2.577 0.571 -0.047) 2.640 2.618 ( 2.577 0.571 0.047) 2.640 2.710 ( 0.881 -3.802 -3.088) 4.977 2.710 ( -0.881 -3.802 3.088) 4.977 2.764 ( -0.292 -1.949 -1.608) 2.543 2.764 ( 0.292 -1.949 1.608) 2.543 2.836 ( 2.233 -0.007 -2.619) 3.442 2.836 ( -2.233 -0.007 2.619) 3.442 2.908 ( -0.003 -1.413 -0.501) 1.499 2.908 ( 0.003 -1.413 0.501) 1.499 2.979 ( -1.848 -0.829 -0.420) 2.068 2.979 ( 1.848 -0.829 0.420) 2.068 3.059 ( 0.122 1.025 -0.879) 1.355 3.059 ( -0.122 1.025 0.879) 1.355 3.153 ( 3.126 -0.552 -1.346) 3.448 3.153 ( -3.126 -0.552 1.346) 3.448 3.231 ( -1.527 -1.645 -0.779) 2.376 3.231 ( 1.527 -1.645 0.779) 2.376 3.299 ( -1.963 1.277 -1.912) 3.023 3.299 ( 1.963 1.277 1.912) 3.023 3.423 ( 1.684 -0.280 -1.387) 2.200 3.423 ( -1.684 -0.280 1.387) 2.200 3.480 ( -1.762 -0.847 -1.594) 2.523 3.480 ( 1.762 -0.847 1.594) 2.523 3.612 ( 0.268 1.186 -1.131) 1.661 3.612 ( -0.268 1.186 1.131) 1.661 3.656 ( 2.077 -0.796 -2.944) 3.690 3.656 ( -2.077 -0.796 2.944) 3.690 3.707 ( 1.269 1.711 -2.077) 2.975 3.707 ( -1.269 1.711 2.077) 2.975 3.810 ( -0.767 1.821 -1.998) 2.810 3.810 ( 0.767 1.821 1.998) 2.810 3.976 ( -0.742 0.508 -1.134) 1.447 3.976 ( 0.742 0.508 1.134) 1.447 4.022 ( -1.211 2.159 -2.327) 3.398 4.022 ( 1.211 2.159 2.327) 3.398 4.085 ( 0.705 2.253 -2.431) 3.389 4.085 ( -0.705 2.253 2.431) 3.389 4.185 ( -1.164 1.903 -0.342) 2.257 4.185 ( 1.164 1.903 0.342) 2.257 4.263 ( -0.851 1.150 -0.709) 1.597 4.263 ( 0.851 1.150 0.709) 1.597 4.301 ( 0.498 0.391 -2.354) 2.438 4.301 ( -0.498 0.391 2.354) 2.438 4.404 ( -1.737 -0.281 -2.294) 2.891 4.404 ( 1.737 -0.281 2.294) 2.891 4.485 ( -2.766 0.419 -0.270) 2.811 4.485 ( 2.766 0.419 0.270) 2.811 4.640 ( 1.292 0.929 -2.470) 2.938 4.640 ( -1.292 0.929 2.470) 2.938 4.697 ( -0.127 -1.468 -3.075) 3.410 4.697 ( 0.127 -1.468 3.075) 3.410 4.812 ( 1.513 -4.083 -2.798) 5.176 4.812 ( -1.513 -4.083 2.798) 5.176 4.923 ( -4.685 -2.372 -0.663) 5.293 4.923 ( 4.685 -2.372 0.663) 5.293 5.027 ( -0.824 -2.324 -1.799) 3.053 5.027 ( 0.824 -2.324 1.799) 3.053 5.546 ( 0.905 -0.716 -2.154) 2.444 5.546 ( -0.905 -0.716 2.154) 2.444 5.789 ( -2.517 2.685 -3.111) 4.819 5.789 ( 2.517 2.685 3.111) 4.819 5.962 ( 0.159 2.058 -2.401) 3.166 5.962 ( -0.159 2.058 2.401) 3.166 6.339 ( -2.160 2.093 -3.727) 4.789 6.339 ( 2.160 2.093 3.727) 4.789 6.882 ( 3.245 1.053 -3.498) 4.886 6.882 ( -3.245 1.053 3.498) 4.886 7.161 ( 3.029 -0.248 -3.239) 4.442 7.161 ( -3.029 -0.248 3.239) 4.442 7.444 ( -4.463 1.143 -1.530) 4.854 7.444 ( 4.463 1.143 1.530) 4.854 7.789 ( -3.480 1.622 -0.171) 3.843 7.789 ( 3.480 1.622 0.171) 3.843 7.879 ( -0.463 0.661 0.067) 0.810 7.879 ( 0.463 0.661 -0.067) 0.810 8.042 ( -1.991 -4.545 -3.743) 6.215 8.042 ( 1.991 -4.545 3.743) 6.215 8.215 ( 0.292 -0.180 -0.559) 0.656 8.215 ( -0.292 -0.180 0.559) 0.656 8.468 ( -0.514 -2.673 -1.941) 3.343 8.468 ( 0.514 -2.673 1.941) 3.343 ======================= Grid point 77 (36/40) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 2.724 2.257 -5.218) 6.304 0.866 ( 2.239 3.028 -5.506) 6.671 0.943 ( -0.414 8.351 -2.189) 8.643 1.022 ( 1.914 6.896 7.105) 10.085 1.066 ( -3.826 3.440 1.778) 5.444 1.127 ( -5.886 4.112 1.537) 7.343 1.147 ( -4.860 2.002 5.304) 7.467 1.215 ( -2.149 2.195 0.302) 3.087 1.267 ( -2.453 -3.630 -4.492) 6.275 1.331 ( -1.755 1.286 -3.839) 4.412 1.357 ( -0.720 2.223 1.970) 3.056 1.418 ( 0.815 -2.093 1.524) 2.715 1.506 ( -2.115 -2.230 0.827) 3.182 1.536 ( 1.671 -1.226 4.160) 4.648 1.589 ( -1.675 -5.155 -1.036) 5.519 1.642 ( 4.255 7.168 -4.737) 9.588 1.664 ( 4.012 -1.889 0.806) 4.507 1.708 ( 0.548 -2.695 -0.281) 2.765 1.724 ( 0.592 -0.767 -1.506) 1.790 1.763 ( 2.237 1.090 0.691) 2.583 1.806 ( -0.750 0.559 -1.563) 1.821 1.819 ( 2.467 1.520 2.270) 3.681 1.853 ( 3.980 0.576 -0.611) 4.068 1.940 ( -1.625 0.269 3.808) 4.149 1.984 ( -1.522 -1.684 -0.778) 2.400 2.006 ( -1.055 1.609 -2.350) 3.037 2.031 ( 0.014 -1.404 -2.653) 3.002 2.105 ( -2.513 0.335 -1.615) 3.006 2.138 ( -1.710 -0.691 0.467) 1.902 2.169 ( -2.186 2.734 1.372) 3.760 2.199 ( 0.273 -0.199 2.074) 2.101 2.247 ( -0.428 -1.875 -1.026) 2.180 2.274 ( -0.516 1.012 -4.008) 4.166 2.295 ( 0.518 -0.154 1.124) 1.247 2.314 ( -0.392 -3.218 -0.057) 3.242 2.353 ( 0.063 -1.865 -0.599) 1.960 2.499 ( 2.014 0.617 3.763) 4.313 2.536 ( 2.544 -1.428 1.812) 3.434 2.593 ( 1.134 1.722 -0.316) 2.086 2.682 ( 0.754 -1.881 0.182) 2.035 2.705 ( 0.284 -3.939 -1.689) 4.295 2.725 ( -0.300 -2.506 2.798) 3.768 2.736 ( -0.209 -0.488 -1.738) 1.817 2.769 ( -1.179 0.644 -0.241) 1.365 2.818 ( -0.146 -3.675 -0.193) 3.683 2.830 ( -1.774 1.014 0.087) 2.045 2.902 ( 0.627 -0.797 1.089) 1.488 2.932 ( 3.545 -0.203 1.390) 3.813 2.993 ( 1.026 0.123 0.683) 1.239 3.020 ( -0.740 -1.933 -0.304) 2.092 3.073 ( 2.463 0.607 1.100) 2.765 3.097 ( 1.929 -0.035 2.301) 3.003 3.108 ( 1.099 3.187 0.509) 3.409 3.149 ( -1.588 -0.739 -1.204) 2.126 3.203 ( -1.992 -3.258 -2.045) 4.332 3.230 ( 0.591 -0.015 -2.321) 2.395 3.276 ( -0.898 2.169 -0.817) 2.486 3.344 ( -2.363 1.063 -0.674) 2.678 3.367 ( -2.006 0.257 0.974) 2.245 3.415 ( -1.490 -1.668 -2.673) 3.485 3.446 ( -0.982 3.154 -0.531) 3.346 3.497 ( 0.821 -0.738 1.090) 1.552 3.563 ( -2.705 2.703 -0.382) 3.843 3.593 ( -2.819 -0.671 1.400) 3.218 3.630 ( -0.542 2.761 -0.831) 2.933 3.655 ( -0.091 -1.945 2.246) 2.973 3.696 ( 0.881 0.333 1.581) 1.840 3.747 ( 1.107 1.213 -0.969) 1.907 3.814 ( 0.751 -0.298 -1.282) 1.515 3.845 ( 0.674 -0.503 -0.550) 1.005 3.935 ( -0.149 1.345 -0.628) 1.492 3.993 ( -0.619 3.439 0.844) 3.595 4.019 ( 1.779 -0.406 -1.114) 2.138 4.049 ( -0.522 0.468 1.256) 1.438 4.105 ( 1.522 0.428 0.599) 1.691 4.126 ( 2.467 2.142 -2.426) 4.069 4.176 ( 1.713 2.703 -0.832) 3.306 4.213 ( 1.778 2.242 0.023) 2.861 4.252 ( -1.597 2.023 0.073) 2.579 4.282 ( 2.099 0.880 -1.598) 2.781 4.296 ( 0.005 -0.005 1.002) 1.002 4.314 ( 2.468 0.013 0.644) 2.550 4.414 ( 2.130 -3.228 1.630) 4.197 4.444 ( 0.200 -2.132 2.634) 3.394 4.462 ( -0.820 3.382 0.369) 3.500 4.551 ( 2.556 0.242 1.074) 2.783 4.625 ( -0.531 0.692 2.167) 2.336 4.648 ( 0.762 1.220 -1.616) 2.163 4.670 ( -2.029 -1.414 -1.684) 2.992 4.714 ( -0.346 -2.679 1.961) 3.338 4.774 ( -5.311 -1.410 1.046) 5.593 4.791 ( -2.839 -0.835 1.188) 3.189 4.814 ( 0.307 -2.014 -2.427) 3.169 4.917 ( -3.857 -3.130 -2.690) 5.649 5.052 ( 2.912 -1.573 0.801) 3.405 5.078 ( 2.310 -4.393 -0.876) 5.040 5.475 ( -3.244 -1.475 -0.038) 3.563 5.521 ( -3.176 -2.121 -2.494) 4.561 5.772 ( 2.179 2.340 -1.834) 3.686 5.840 ( -0.255 1.060 1.909) 2.199 5.971 ( 2.035 3.334 -0.966) 4.023 5.999 ( 1.237 1.909 1.499) 2.724 6.321 ( 3.605 5.838 -0.036) 6.861 6.433 ( 2.343 4.163 3.640) 6.006 6.831 ( -2.428 1.820 0.241) 3.044 6.876 ( -0.973 2.236 -7.056) 7.466 7.131 ( -0.803 -1.618 2.970) 3.476 7.183 ( 0.780 -1.920 -2.766) 3.456 7.375 ( -1.459 0.809 0.925) 1.907 7.491 ( -3.107 -0.366 2.088) 3.761 7.733 ( 0.954 -0.017 1.339) 1.644 7.864 ( 0.902 -1.095 -1.026) 1.750 7.880 ( 0.381 0.392 0.103) 0.556 7.910 ( 3.807 -1.213 -2.246) 4.583 7.940 ( -3.856 -2.355 -1.034) 4.635 8.071 ( -1.860 -4.372 1.770) 5.070 8.211 ( -0.003 -0.349 0.233) 0.420 8.219 ( 0.129 -0.190 -0.606) 0.648 8.465 ( 1.562 -0.657 0.103) 1.698 8.510 ( 0.719 -1.415 1.965) 2.525 ======================= Grid point 78 (37/40) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.597 -0.331 -3.424) 3.491 0.823 ( 0.597 -0.331 3.424) 3.491 0.979 ( 3.531 5.739 -4.572) 8.143 0.979 ( -3.531 5.739 4.572) 8.143 1.092 ( 2.266 3.706 -3.654) 5.676 1.092 ( -2.266 3.706 3.654) 5.676 1.136 ( -1.624 2.197 -4.282) 5.079 1.136 ( 1.624 2.197 4.282) 5.079 1.257 ( -2.941 0.693 -3.773) 4.834 1.257 ( 2.941 0.693 3.773) 4.834 1.388 ( -1.488 1.492 -3.186) 3.820 1.388 ( 1.488 1.492 3.186) 3.820 1.519 ( -1.685 -3.667 -3.143) 5.115 1.519 ( 1.685 -3.667 3.143) 5.115 1.620 ( -1.112 1.259 -6.398) 6.615 1.620 ( 1.112 1.259 6.398) 6.615 1.706 ( 0.897 -2.706 -1.650) 3.294 1.706 ( -0.897 -2.706 1.650) 3.294 1.790 ( 0.398 3.293 -3.314) 4.689 1.790 ( -0.398 3.293 3.314) 4.689 1.832 ( -4.266 -0.787 -1.552) 4.607 1.832 ( 4.266 -0.787 1.552) 4.607 1.884 ( -0.848 0.192 -0.155) 0.883 1.884 ( 0.848 0.192 0.155) 0.883 1.986 ( -3.021 0.036 -0.815) 3.129 1.986 ( 3.021 0.036 0.815) 3.129 2.071 ( -0.204 0.907 -1.627) 1.874 2.071 ( 0.204 0.907 1.627) 1.874 2.109 ( -0.048 -0.310 -3.257) 3.272 2.109 ( 0.048 -0.310 3.257) 3.272 2.223 ( -0.035 0.052 -2.126) 2.127 2.223 ( 0.035 0.052 2.126) 2.127 2.275 ( -0.819 -2.324 -1.691) 2.988 2.275 ( 0.819 -2.324 1.691) 2.988 2.338 ( 0.444 -2.823 -2.184) 3.597 2.338 ( -0.444 -2.823 2.184) 3.597 2.560 ( -0.698 2.976 -0.696) 3.135 2.560 ( 0.698 2.976 0.696) 3.135 2.652 ( -4.201 -0.797 -1.054) 4.404 2.652 ( 4.201 -0.797 1.054) 4.404 2.686 ( -0.035 -2.626 -1.971) 3.283 2.686 ( 0.035 -2.626 1.971) 3.283 2.755 ( 0.602 -2.847 -2.921) 4.123 2.755 ( -0.602 -2.847 2.921) 4.123 2.817 ( -0.109 -0.761 -0.394) 0.863 2.817 ( 0.109 -0.761 0.394) 0.863 2.951 ( -2.160 0.109 -1.323) 2.536 2.951 ( 2.160 0.109 1.323) 2.536 3.025 ( -2.250 0.326 -3.377) 4.071 3.025 ( 2.250 0.326 3.377) 4.071 3.095 ( -0.768 1.404 -1.922) 2.501 3.095 ( 0.768 1.404 1.922) 2.501 3.144 ( -1.795 0.098 -0.222) 1.812 3.144 ( 1.795 0.098 0.222) 1.812 3.203 ( -2.592 -0.328 0.186) 2.619 3.203 ( 2.592 -0.328 -0.186) 2.619 3.283 ( -4.978 3.003 -1.363) 5.971 3.283 ( 4.978 3.003 1.363) 5.971 3.318 ( -1.197 -0.346 -1.930) 2.298 3.318 ( 1.197 -0.346 1.930) 2.298 3.507 ( -0.469 1.293 -3.220) 3.501 3.507 ( 0.469 1.293 3.220) 3.501 3.555 ( -3.385 2.591 -2.157) 4.778 3.555 ( 3.385 2.591 2.157) 4.778 3.635 ( -0.953 -2.034 -0.790) 2.381 3.635 ( 0.953 -2.034 0.790) 2.381 3.741 ( -1.704 0.820 -0.764) 2.040 3.741 ( 1.704 0.820 0.764) 2.040 3.820 ( -1.140 -2.262 -1.036) 2.737 3.820 ( 1.140 -2.262 1.036) 2.737 3.966 ( 1.535 3.881 -1.851) 4.566 3.966 ( -1.535 3.881 1.851) 4.566 4.038 ( 0.632 -2.375 -1.250) 2.758 4.038 ( -0.632 -2.375 1.250) 2.758 4.126 ( -0.160 2.012 -1.836) 2.728 4.126 ( 0.160 2.012 1.836) 2.728 4.215 ( -0.991 2.390 -0.209) 2.595 4.215 ( 0.991 2.390 0.209) 2.595 4.279 ( 0.516 1.328 -3.670) 3.937 4.279 ( -0.516 1.328 3.670) 3.937 4.358 ( -3.205 0.168 -2.208) 3.896 4.358 ( 3.205 0.168 2.208) 3.896 4.398 ( -3.711 -0.792 -0.218) 3.801 4.398 ( 3.711 -0.792 0.218) 3.801 4.542 ( -5.479 -2.361 -3.240) 6.789 4.542 ( 5.479 -2.361 3.240) 6.789 4.623 ( -3.490 -0.053 0.580) 3.539 4.623 ( 3.490 -0.053 -0.580) 3.539 4.675 ( 0.443 0.904 -2.910) 3.079 4.675 ( -0.443 0.904 2.910) 3.079 4.769 ( -1.930 -1.159 -4.692) 5.204 4.769 ( 1.930 -1.159 4.692) 5.204 4.824 ( -0.402 -1.072 -3.736) 3.908 4.824 ( 0.402 -1.072 3.736) 3.908 5.092 ( -0.122 -3.727 -1.584) 4.052 5.092 ( 0.122 -3.727 1.584) 4.052 5.456 ( -0.243 -2.564 -2.305) 3.456 5.456 ( 0.243 -2.564 2.305) 3.456 5.814 ( 1.273 0.807 -1.585) 2.187 5.814 ( -1.273 0.807 1.585) 2.187 6.005 ( 1.204 3.074 -2.353) 4.054 6.005 ( -1.204 3.074 2.353) 4.054 6.426 ( 0.501 8.153 -2.018) 8.414 6.426 ( -0.501 8.153 2.018) 8.414 6.814 ( -0.369 2.107 -2.760) 3.492 6.814 ( 0.369 2.107 2.760) 3.492 7.160 ( -1.070 -3.152 -2.091) 3.931 7.160 ( 1.070 -3.152 2.091) 3.931 7.404 ( -1.798 -0.342 -2.059) 2.755 7.404 ( 1.798 -0.342 2.059) 2.755 7.810 ( -3.863 -4.086 -2.813) 6.287 7.810 ( 3.863 -4.086 2.813) 6.287 7.886 ( -0.288 0.192 -0.108) 0.362 7.886 ( 0.288 0.192 0.108) 0.362 8.009 ( 0.888 -2.488 -3.110) 4.080 8.009 ( -0.888 -2.488 3.110) 4.080 8.215 ( 0.187 -0.336 -1.007) 1.077 8.215 ( -0.187 -0.336 1.007) 1.077 8.505 ( 1.154 0.398 -2.592) 2.865 8.505 ( -1.154 0.398 2.592) 2.865 ======================= Grid point 81 (38/40) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.135 3.167 -1.690) 3.592 0.903 ( -0.135 3.167 1.690) 3.592 1.124 ( 0.434 6.993 -4.167) 8.152 1.124 ( -0.434 6.993 4.167) 8.152 1.178 ( 1.954 -0.938 -2.875) 3.600 1.178 ( -1.954 -0.938 2.875) 3.600 1.262 ( -1.470 -0.339 -2.450) 2.877 1.262 ( 1.470 -0.339 2.450) 2.877 1.278 ( 0.453 2.357 -4.069) 4.724 1.278 ( -0.453 2.357 4.069) 4.724 1.405 ( -1.678 -6.092 -4.699) 7.874 1.405 ( 1.678 -6.092 4.699) 7.874 1.445 ( -2.139 1.817 -0.657) 2.882 1.445 ( 2.139 1.817 0.657) 2.882 1.545 ( 0.540 -2.512 -2.189) 3.376 1.545 ( -0.540 -2.512 2.189) 3.376 1.656 ( 0.509 -0.367 -1.126) 1.289 1.656 ( -0.509 -0.367 1.126) 1.289 1.751 ( -0.381 -1.294 -0.573) 1.466 1.751 ( 0.381 -1.294 0.573) 1.466 1.824 ( -0.841 3.604 -2.307) 4.361 1.824 ( 0.841 3.604 2.307) 4.361 1.909 ( -0.404 1.055 -2.591) 2.827 1.909 ( 0.404 1.055 2.591) 2.827 1.977 ( 1.291 -2.463 -0.768) 2.885 1.977 ( -1.291 -2.463 0.768) 2.885 2.074 ( -1.193 -0.713 -1.068) 1.753 2.074 ( 1.193 -0.713 1.068) 1.753 2.197 ( 1.045 2.864 -2.653) 4.041 2.197 ( -1.045 2.864 2.653) 4.041 2.268 ( 0.033 1.286 -2.795) 3.077 2.268 ( -0.033 1.286 2.795) 3.077 2.292 ( 1.369 0.183 -3.269) 3.549 2.292 ( -1.369 0.183 3.269) 3.549 2.322 ( 0.656 -1.635 -1.357) 2.224 2.322 ( -0.656 -1.635 1.357) 2.224 2.469 ( 1.922 1.233 -1.918) 2.982 2.469 ( -1.922 1.233 1.918) 2.982 2.572 ( -1.025 -6.353 -1.556) 6.621 2.572 ( 1.025 -6.353 1.556) 6.621 2.647 ( -1.385 1.127 -0.161) 1.793 2.647 ( 1.385 1.127 0.161) 1.793 2.793 ( 0.768 1.641 -1.138) 2.140 2.793 ( -0.768 1.641 1.138) 2.140 2.854 ( -2.183 0.662 -0.438) 2.323 2.854 ( 2.183 0.662 0.438) 2.323 2.882 ( -1.934 -0.049 -1.477) 2.434 2.882 ( 1.934 -0.049 1.477) 2.434 2.956 ( -0.499 -1.066 -0.027) 1.177 2.956 ( 0.499 -1.066 0.027) 1.177 3.088 ( 0.110 -2.085 -0.882) 2.266 3.088 ( -0.110 -2.085 0.882) 2.266 3.114 ( 0.016 1.107 -1.387) 1.774 3.114 ( -0.016 1.107 1.387) 1.774 3.201 ( -0.485 -1.634 -0.003) 1.704 3.201 ( 0.485 -1.634 0.003) 1.704 3.337 ( -1.394 2.257 -0.562) 2.712 3.337 ( 1.394 2.257 0.562) 2.712 3.402 ( 1.570 -1.344 -1.694) 2.672 3.402 ( -1.570 -1.344 1.694) 2.672 3.497 ( -0.922 2.397 -0.691) 2.659 3.497 ( 0.922 2.397 0.691) 2.659 3.577 ( -1.786 -3.614 -0.349) 4.046 3.577 ( 1.786 -3.614 0.349) 4.046 3.668 ( 0.293 1.044 -1.004) 1.478 3.668 ( -0.293 1.044 1.004) 1.478 3.736 ( -0.992 0.797 -1.106) 1.686 3.736 ( 0.992 0.797 1.106) 1.686 3.821 ( -1.379 0.091 -0.480) 1.463 3.821 ( 1.379 0.091 0.480) 1.463 3.980 ( -0.552 0.294 -0.948) 1.136 3.980 ( 0.552 0.294 0.948) 1.136 4.024 ( -1.525 -1.067 -0.977) 2.102 4.024 ( 1.525 -1.067 0.977) 2.102 4.140 ( 0.287 2.272 -1.137) 2.557 4.140 ( -0.287 2.272 1.137) 2.557 4.228 ( 0.455 2.563 -1.357) 2.935 4.228 ( -0.455 2.563 1.357) 2.935 4.276 ( -0.636 -0.719 -1.286) 1.605 4.276 ( 0.636 -0.719 1.286) 1.605 4.326 ( -0.198 1.644 -0.858) 1.865 4.326 ( 0.198 1.644 0.858) 1.865 4.388 ( -0.873 -0.899 -2.479) 2.778 4.388 ( 0.873 -0.899 2.479) 2.778 4.498 ( 0.671 0.525 -0.331) 0.914 4.498 ( -0.671 0.525 0.331) 0.914 4.674 ( 0.206 -0.578 -1.359) 1.491 4.674 ( -0.206 -0.578 1.359) 1.491 4.684 ( -1.780 3.074 -0.179) 3.557 4.684 ( 1.780 3.074 0.179) 3.557 4.739 ( 1.744 -3.097 -1.540) 3.874 4.739 ( -1.744 -3.097 1.540) 3.874 4.858 ( -0.497 -3.387 -0.202) 3.429 4.858 ( 0.497 -3.387 0.202) 3.429 5.006 ( 0.177 -0.359 -1.079) 1.151 5.006 ( -0.177 -0.359 1.079) 1.151 5.535 ( 0.334 -0.326 -0.924) 1.035 5.535 ( -0.334 -0.326 0.924) 1.035 5.823 ( -1.083 0.894 -1.211) 1.854 5.823 ( 1.083 0.894 1.211) 1.854 5.993 ( 0.111 0.993 -0.835) 1.302 5.993 ( -0.111 0.993 0.835) 1.302 6.377 ( -1.398 1.410 -1.184) 2.312 6.377 ( 1.398 1.410 1.184) 2.312 6.885 ( 1.215 -0.289 -1.156) 1.702 6.885 ( -1.215 -0.289 1.156) 1.702 7.156 ( 1.072 -0.184 -1.227) 1.639 7.156 ( -1.072 -0.184 1.227) 1.639 7.462 ( -1.896 0.628 -0.792) 2.148 7.462 ( 1.896 0.628 0.792) 2.148 7.810 ( -1.284 0.531 -0.381) 1.441 7.810 ( 1.284 0.531 0.381) 1.441 7.891 ( 0.389 0.478 -0.161) 0.637 7.891 ( -0.389 0.478 0.161) 0.637 7.978 ( -1.456 -1.964 -1.390) 2.812 7.978 ( 1.456 -1.964 1.390) 2.812 8.213 ( -0.094 -0.036 -0.092) 0.136 8.213 ( 0.094 -0.036 0.092) 0.136 8.431 ( -0.231 -1.080 -0.815) 1.372 8.431 ( 0.231 -1.080 0.815) 1.372 ======================= Grid point 83 (39/40) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -2.944 3.033 -2.162) 4.748 0.881 ( -3.244 -1.427 -2.470) 4.319 1.075 ( -2.272 5.218 -2.721) 6.309 1.110 ( -2.384 1.105 -0.480) 2.671 1.121 ( -3.928 2.066 0.071) 4.439 1.180 ( -1.476 -2.684 -1.326) 3.338 1.209 ( -1.132 6.286 2.465) 6.846 1.239 ( 0.226 4.534 4.397) 6.320 1.292 ( -2.020 3.574 0.917) 4.207 1.316 ( -1.369 -3.315 -3.437) 4.968 1.338 ( 1.148 -1.220 2.364) 2.897 1.406 ( -2.178 -2.835 2.725) 4.495 1.447 ( 0.535 -0.358 1.643) 1.764 1.503 ( 1.809 -3.745 4.616) 6.213 1.549 ( 0.931 1.270 -3.299) 3.656 1.600 ( 1.623 -3.764 -3.148) 5.168 1.664 ( 0.697 -0.890 0.044) 1.131 1.672 ( 1.489 -1.142 1.205) 2.229 1.755 ( 1.916 0.399 -3.337) 3.869 1.763 ( 2.790 0.049 -0.946) 2.947 1.838 ( 1.581 2.947 1.759) 3.779 1.868 ( 1.041 0.405 2.102) 2.381 1.905 ( 1.239 3.564 -0.534) 3.811 1.925 ( -2.709 -0.831 0.347) 2.855 1.953 ( 1.279 -0.522 1.811) 2.278 1.975 ( 0.051 -3.280 -1.083) 3.455 2.040 ( -0.151 1.447 -1.452) 2.056 2.071 ( -1.408 -2.419 0.207) 2.807 2.157 ( -4.337 2.300 0.778) 4.971 2.185 ( -4.929 -1.198 -0.811) 5.137 2.221 ( 1.599 3.141 -0.951) 3.651 2.254 ( -1.217 0.654 -2.740) 3.069 2.268 ( -2.459 0.416 -0.115) 2.497 2.297 ( -0.084 -0.479 -1.710) 1.778 2.310 ( 0.188 0.012 -1.567) 1.578 2.314 ( 0.857 -0.160 -1.337) 1.596 2.500 ( 2.500 -1.629 3.613) 4.686 2.529 ( 3.791 -1.377 -0.917) 4.136 2.564 ( 1.668 -3.076 1.962) 4.011 2.584 ( 0.098 -4.210 -1.211) 4.382 2.663 ( 1.298 1.338 0.746) 2.008 2.688 ( -0.256 -0.735 0.165) 0.796 2.774 ( -2.159 2.399 -1.033) 3.389 2.799 ( -2.930 0.493 1.868) 3.510 2.820 ( 1.861 2.328 -0.508) 3.023 2.856 ( -0.418 -0.095 1.313) 1.382 2.900 ( 1.471 0.757 2.560) 3.048 2.917 ( 2.002 -0.828 3.258) 3.913 2.999 ( 2.275 0.578 -0.899) 2.513 3.006 ( 4.309 -0.191 0.551) 4.349 3.061 ( 0.495 -1.135 -1.327) 1.815 3.081 ( -0.974 -2.282 -0.611) 2.555 3.134 ( 1.432 -0.125 -0.682) 1.591 3.139 ( 0.534 -1.235 0.000) 1.345 3.172 ( 0.078 2.447 0.962) 2.631 3.218 ( 1.037 -1.757 -1.027) 2.284 3.317 ( -1.424 2.509 -0.363) 2.907 3.359 ( -2.191 -1.155 0.589) 2.546 3.368 ( -0.408 0.927 -2.228) 2.448 3.384 ( -2.065 -1.018 -3.499) 4.189 3.490 ( 0.585 0.974 1.467) 1.856 3.507 ( 1.321 1.465 0.524) 2.041 3.552 ( -0.030 -0.168 2.804) 2.810 3.606 ( 0.483 -2.886 1.789) 3.430 3.636 ( -3.384 2.131 0.143) 4.002 3.673 ( -0.645 -1.508 2.715) 3.171 3.700 ( -1.800 3.635 -3.256) 5.201 3.773 ( -0.467 -3.703 -2.004) 4.236 3.781 ( 0.447 2.182 -1.266) 2.562 3.818 ( -0.925 -1.759 -0.905) 2.184 3.966 ( 0.418 1.749 0.072) 1.800 4.001 ( 0.297 -1.855 0.440) 1.930 4.019 ( 1.298 1.394 0.195) 1.915 4.052 ( -0.176 -0.940 0.959) 1.355 4.143 ( 0.844 3.480 1.276) 3.802 4.185 ( 3.226 0.946 -0.812) 3.458 4.219 ( -0.373 0.586 -2.406) 2.504 4.231 ( 0.380 1.946 0.031) 1.983 4.280 ( 1.064 -0.213 -0.392) 1.153 4.291 ( -0.204 -0.204 0.335) 0.442 4.309 ( -0.607 2.206 -0.394) 2.321 4.338 ( 1.312 1.173 1.681) 2.434 4.355 ( 0.211 -1.546 -1.544) 2.195 4.396 ( 0.059 -3.007 2.368) 3.828 4.520 ( 1.347 2.468 0.892) 2.950 4.543 ( 2.528 -0.557 0.396) 2.619 4.614 ( -4.344 -0.786 -0.724) 4.474 4.637 ( -4.082 -2.684 -0.282) 4.894 4.685 ( -0.159 1.815 -0.086) 1.824 4.712 ( 1.086 3.176 -0.616) 3.413 4.741 ( 1.635 -1.584 -0.294) 2.296 4.766 ( 2.033 -1.727 -0.169) 2.673 4.811 ( -2.887 0.612 1.623) 3.368 4.844 ( -2.306 -3.757 -0.026) 4.408 5.024 ( 1.469 -1.034 -0.228) 1.811 5.030 ( 1.498 -1.038 0.204) 1.834 5.460 ( -4.444 0.071 -0.359) 4.459 5.480 ( -4.471 -1.923 -1.171) 5.006 5.815 ( 0.757 2.071 -1.141) 2.483 5.842 ( -0.233 -0.719 0.189) 0.779 6.019 ( 2.341 1.579 -0.379) 2.849 6.026 ( 1.986 0.727 0.423) 2.157 6.436 ( 6.856 5.287 1.391) 8.769 6.484 ( 6.212 0.495 3.110) 6.965 6.854 ( -1.377 1.012 -1.753) 2.448 6.879 ( -0.107 -1.400 -5.165) 5.352 7.122 ( -2.787 0.727 1.695) 3.342 7.148 ( -1.433 -1.742 -0.536) 2.319 7.403 ( -2.907 2.280 0.379) 3.714 7.455 ( -3.460 -2.930 1.009) 4.645 7.753 ( -2.116 2.063 0.103) 2.958 7.806 ( -2.145 -3.608 -1.580) 4.485 7.888 ( 0.015 0.350 0.089) 0.361 7.892 ( -0.244 -0.227 0.015) 0.334 7.951 ( 0.729 1.731 -0.136) 1.883 7.997 ( -0.520 -3.299 0.540) 3.383 8.208 ( -0.029 0.073 -0.063) 0.100 8.213 ( -0.078 -0.374 -0.239) 0.451 8.465 ( 2.974 0.614 0.788) 3.137 8.484 ( 2.597 -1.274 1.367) 3.200 ======================= Grid point 84 (40/40) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -1.631 -0.746 -0.181) 1.803 0.808 ( 1.631 -0.746 0.181) 1.803 1.042 ( 0.943 1.321 -0.569) 1.720 1.042 ( -0.943 1.321 0.569) 1.720 1.130 ( -1.274 0.493 -1.773) 2.238 1.130 ( 1.274 0.493 1.773) 2.238 1.239 ( -1.964 7.010 -1.373) 7.408 1.239 ( 1.964 7.010 1.373) 7.408 1.279 ( -1.001 1.021 -2.445) 2.833 1.279 ( 1.001 1.021 2.445) 2.833 1.378 ( -1.299 -3.020 -0.083) 3.289 1.378 ( 1.299 -3.020 0.083) 3.289 1.491 ( -2.135 1.771 -4.101) 4.952 1.491 ( 2.135 1.771 4.101) 4.952 1.568 ( -1.177 -5.244 -3.931) 6.659 1.568 ( 1.177 -5.244 3.931) 6.659 1.681 ( -0.113 -0.272 -0.701) 0.760 1.681 ( 0.113 -0.272 0.701) 0.760 1.803 ( -1.908 -0.816 -0.571) 2.152 1.803 ( 1.908 -0.816 0.571) 2.152 1.872 ( -1.424 2.771 -1.463) 3.442 1.872 ( 1.424 2.771 1.463) 3.442 1.900 ( -0.903 0.182 -2.302) 2.480 1.900 ( 0.903 0.182 2.302) 2.480 1.972 ( 0.620 -0.187 -2.295) 2.384 1.972 ( -0.620 -0.187 2.295) 2.384 2.076 ( -1.974 -0.207 -0.679) 2.097 2.076 ( 1.974 -0.207 0.679) 2.097 2.086 ( -1.015 -0.861 -1.224) 1.809 2.086 ( 1.015 -0.861 1.224) 1.809 2.229 ( -0.174 -0.143 -0.132) 0.261 2.229 ( 0.174 -0.143 0.132) 0.261 2.269 ( -0.127 2.120 -2.760) 3.482 2.269 ( 0.127 2.120 2.760) 3.482 2.311 ( -0.422 -0.519 -0.986) 1.191 2.311 ( 0.422 -0.519 0.986) 1.191 2.544 ( -0.850 -6.266 -1.673) 6.541 2.544 ( 0.850 -6.266 1.673) 6.541 2.622 ( -0.699 1.940 -0.393) 2.099 2.622 ( 0.699 1.940 0.393) 2.099 2.673 ( -0.953 0.381 -0.899) 1.364 2.673 ( 0.953 0.381 0.899) 1.364 2.732 ( -1.165 -0.022 -0.445) 1.247 2.732 ( 1.165 -0.022 0.445) 1.247 2.843 ( 0.330 1.623 -0.258) 1.676 2.843 ( -0.330 1.623 0.258) 1.676 2.966 ( -1.175 0.796 -1.187) 1.850 2.966 ( 1.175 0.796 1.187) 1.850 3.028 ( -1.821 -0.329 -3.844) 4.266 3.028 ( 1.821 -0.329 3.844) 4.266 3.076 ( 0.439 -1.499 -3.413) 3.754 3.076 ( -0.439 -1.499 3.413) 3.754 3.138 ( -0.347 -0.852 -0.149) 0.932 3.138 ( 0.347 -0.852 0.149) 0.932 3.228 ( -2.764 2.746 -1.802) 4.293 3.228 ( 2.764 2.746 1.802) 4.293 3.292 ( -3.020 -1.294 -2.031) 3.863 3.292 ( 3.020 -1.294 2.031) 3.863 3.339 ( -0.293 1.136 -0.282) 1.207 3.339 ( 0.293 1.136 0.282) 1.207 3.537 ( -1.905 1.797 -2.486) 3.611 3.537 ( 1.905 1.797 2.486) 3.611 3.578 ( -1.225 -1.148 -1.473) 2.233 3.578 ( 1.225 -1.148 1.473) 2.233 3.626 ( -1.959 2.528 -2.027) 3.787 3.626 ( 1.959 2.528 2.027) 3.787 3.711 ( -1.922 -3.863 -2.663) 5.071 3.711 ( 1.922 -3.863 2.663) 5.071 3.799 ( 1.111 0.394 -1.032) 1.566 3.799 ( -1.111 0.394 1.032) 1.566 3.990 ( -0.115 -0.829 -0.662) 1.067 3.990 ( 0.115 -0.829 0.662) 1.067 4.040 ( 0.095 1.693 -1.775) 2.455 4.040 ( -0.095 1.693 1.775) 2.455 4.175 ( -0.903 3.279 -2.918) 4.481 4.175 ( 0.903 3.279 2.918) 4.481 4.249 ( -1.769 -0.226 -1.196) 2.147 4.249 ( 1.769 -0.226 1.196) 2.147 4.273 ( -0.676 -1.903 -1.032) 2.268 4.273 ( 0.676 -1.903 1.032) 2.268 4.325 ( -1.309 -0.622 -1.138) 1.843 4.325 ( 1.309 -0.622 1.138) 1.843 4.435 ( -5.551 2.811 -1.964) 6.524 4.435 ( 5.551 2.811 1.964) 6.524 4.491 ( -5.883 -2.549 -2.718) 6.964 4.491 ( 5.883 -2.549 2.718) 6.964 4.604 ( -1.025 -1.029 -0.483) 1.531 4.604 ( 1.025 -1.029 0.483) 1.531 4.696 ( -1.950 0.269 -0.608) 2.060 4.696 ( 1.950 0.269 0.608) 2.060 4.770 ( 2.201 1.657 -3.760) 4.661 4.770 ( -2.201 1.657 3.760) 4.661 4.806 ( 1.973 -1.507 -3.778) 4.521 4.806 ( -1.973 -1.507 3.778) 4.521 5.044 ( 0.032 -1.257 -0.708) 1.443 5.044 ( -0.032 -1.257 0.708) 1.443 5.416 ( -0.030 -1.326 -1.010) 1.667 5.416 ( 0.030 -1.326 1.010) 1.667 5.828 ( 0.291 0.493 -0.420) 0.710 5.828 ( -0.291 0.493 0.420) 0.710 6.047 ( 0.409 1.271 -0.922) 1.622 6.047 ( -0.409 1.271 0.922) 1.622 6.563 ( 2.277 4.942 -1.167) 5.565 6.563 ( -2.277 4.942 1.167) 5.565 6.832 ( -0.379 0.082 -1.924) 1.963 6.832 ( 0.379 0.082 1.924) 1.963 7.109 ( -0.827 -1.869 -0.840) 2.209 7.109 ( 0.827 -1.869 0.840) 2.209 7.390 ( -1.262 -0.780 -0.638) 1.615 7.390 ( 1.262 -0.780 0.638) 1.615 7.754 ( -1.187 -1.574 -1.300) 2.362 7.754 ( 1.187 -1.574 1.300) 2.362 7.889 ( -0.065 0.118 -0.063) 0.149 7.889 ( 0.065 0.118 0.063) 0.149 7.978 ( -0.132 -0.857 -0.863) 1.223 7.978 ( 0.132 -0.857 0.863) 1.223 8.210 ( 0.022 -0.168 -0.305) 0.349 8.210 ( -0.022 -0.168 0.305) 0.349 8.510 ( 0.365 0.178 -0.973) 1.054 8.510 ( -0.365 0.178 0.973) 1.054 =================== 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 3/13440 10.0 15.575 20.721 23.590 0.000 -1.258 0.000 3/13440 20.0 2.523 3.238 4.118 0.000 -0.330 0.000 3/13440 30.0 1.109 1.424 1.796 0.000 -0.147 0.000 3/13440 40.0 0.686 0.881 1.093 0.000 -0.089 0.000 3/13440 50.0 0.498 0.639 0.781 0.000 -0.062 0.000 3/13440 60.0 0.395 0.505 0.610 0.000 -0.048 0.000 3/13440 70.0 0.329 0.420 0.503 0.000 -0.039 0.000 3/13440 80.0 0.284 0.361 0.429 0.000 -0.033 0.000 3/13440 90.0 0.250 0.318 0.376 0.000 -0.029 0.000 3/13440 100.0 0.225 0.285 0.335 0.000 -0.026 0.000 3/13440 110.0 0.204 0.258 0.302 0.000 -0.023 0.000 3/13440 120.0 0.187 0.236 0.276 0.000 -0.021 0.000 3/13440 130.0 0.173 0.218 0.254 0.000 -0.020 0.000 3/13440 140.0 0.161 0.202 0.235 0.000 -0.018 0.000 3/13440 150.0 0.150 0.189 0.219 0.000 -0.017 0.000 3/13440 160.0 0.141 0.177 0.205 0.000 -0.016 0.000 3/13440 170.0 0.133 0.167 0.193 0.000 -0.015 0.000 3/13440 180.0 0.126 0.158 0.182 0.000 -0.014 0.000 3/13440 190.0 0.119 0.149 0.173 0.000 -0.013 0.000 3/13440 200.0 0.113 0.142 0.164 0.000 -0.013 0.000 3/13440 210.0 0.108 0.135 0.156 0.000 -0.012 0.000 3/13440 220.0 0.103 0.129 0.149 0.000 -0.012 0.000 3/13440 230.0 0.099 0.124 0.143 0.000 -0.011 0.000 3/13440 240.0 0.095 0.119 0.137 0.000 -0.011 0.000 3/13440 250.0 0.091 0.114 0.131 0.000 -0.010 0.000 3/13440 260.0 0.088 0.110 0.126 0.000 -0.010 0.000 3/13440 270.0 0.085 0.106 0.122 0.000 -0.010 0.000 3/13440 280.0 0.082 0.102 0.117 0.000 -0.009 0.000 3/13440 290.0 0.079 0.098 0.113 0.000 -0.009 0.000 3/13440 300.0 0.076 0.095 0.110 0.000 -0.009 0.000 3/13440 310.0 0.074 0.092 0.106 0.000 -0.008 0.000 3/13440 320.0 0.072 0.089 0.103 0.000 -0.008 0.000 3/13440 330.0 0.069 0.087 0.100 0.000 -0.008 0.000 3/13440 340.0 0.067 0.084 0.097 0.000 -0.008 0.000 3/13440 350.0 0.066 0.082 0.094 0.000 -0.007 0.000 3/13440 360.0 0.064 0.079 0.091 0.000 -0.007 0.000 3/13440 370.0 0.062 0.077 0.089 0.000 -0.007 0.000 3/13440 380.0 0.060 0.075 0.087 0.000 -0.007 0.000 3/13440 390.0 0.059 0.073 0.084 0.000 -0.007 0.000 3/13440 400.0 0.057 0.072 0.082 0.000 -0.007 0.000 3/13440 410.0 0.056 0.070 0.080 0.000 -0.006 0.000 3/13440 420.0 0.055 0.068 0.078 0.000 -0.006 0.000 3/13440 430.0 0.054 0.067 0.077 0.000 -0.006 0.000 3/13440 440.0 0.052 0.065 0.075 0.000 -0.006 0.000 3/13440 450.0 0.051 0.064 0.073 0.000 -0.006 0.000 3/13440 460.0 0.050 0.062 0.072 0.000 -0.006 0.000 3/13440 470.0 0.049 0.061 0.070 0.000 -0.006 0.000 3/13440 480.0 0.048 0.060 0.069 0.000 -0.005 0.000 3/13440 490.0 0.047 0.059 0.067 0.000 -0.005 0.000 3/13440 500.0 0.046 0.057 0.066 0.000 -0.005 0.000 3/13440 510.0 0.045 0.056 0.065 0.000 -0.005 0.000 3/13440 520.0 0.044 0.055 0.063 0.000 -0.005 0.000 3/13440 530.0 0.044 0.054 0.062 0.000 -0.005 0.000 3/13440 540.0 0.043 0.053 0.061 0.000 -0.005 0.000 3/13440 550.0 0.042 0.052 0.060 0.000 -0.005 0.000 3/13440 560.0 0.041 0.051 0.059 0.000 -0.005 0.000 3/13440 570.0 0.041 0.050 0.058 0.000 -0.005 0.000 3/13440 580.0 0.040 0.050 0.057 0.000 -0.005 0.000 3/13440 590.0 0.039 0.049 0.056 0.000 -0.004 0.000 3/13440 600.0 0.038 0.048 0.055 0.000 -0.004 0.000 3/13440 610.0 0.038 0.047 0.054 0.000 -0.004 0.000 3/13440 620.0 0.037 0.046 0.053 0.000 -0.004 0.000 3/13440 630.0 0.037 0.046 0.052 0.000 -0.004 0.000 3/13440 640.0 0.036 0.045 0.052 0.000 -0.004 0.000 3/13440 650.0 0.036 0.044 0.051 0.000 -0.004 0.000 3/13440 660.0 0.035 0.044 0.050 0.000 -0.004 0.000 3/13440 670.0 0.035 0.043 0.049 0.000 -0.004 0.000 3/13440 680.0 0.034 0.042 0.049 0.000 -0.004 0.000 3/13440 690.0 0.034 0.042 0.048 0.000 -0.004 0.000 3/13440 700.0 0.033 0.041 0.047 0.000 -0.004 0.000 3/13440 710.0 0.033 0.041 0.047 0.000 -0.004 0.000 3/13440 720.0 0.032 0.040 0.046 0.000 -0.004 0.000 3/13440 730.0 0.032 0.039 0.045 0.000 -0.004 0.000 3/13440 740.0 0.031 0.039 0.045 0.000 -0.004 0.000 3/13440 750.0 0.031 0.038 0.044 0.000 -0.004 0.000 3/13440 760.0 0.030 0.038 0.043 0.000 -0.003 0.000 3/13440 770.0 0.030 0.037 0.043 0.000 -0.003 0.000 3/13440 780.0 0.030 0.037 0.042 0.000 -0.003 0.000 3/13440 790.0 0.029 0.036 0.042 0.000 -0.003 0.000 3/13440 800.0 0.029 0.036 0.041 0.000 -0.003 0.000 3/13440 810.0 0.029 0.036 0.041 0.000 -0.003 0.000 3/13440 820.0 0.028 0.035 0.040 0.000 -0.003 0.000 3/13440 830.0 0.028 0.035 0.040 0.000 -0.003 0.000 3/13440 840.0 0.028 0.034 0.039 0.000 -0.003 0.000 3/13440 850.0 0.027 0.034 0.039 0.000 -0.003 0.000 3/13440 860.0 0.027 0.033 0.038 0.000 -0.003 0.000 3/13440 870.0 0.027 0.033 0.038 0.000 -0.003 0.000 3/13440 880.0 0.026 0.033 0.038 0.000 -0.003 0.000 3/13440 890.0 0.026 0.032 0.037 0.000 -0.003 0.000 3/13440 900.0 0.026 0.032 0.037 0.000 -0.003 0.000 3/13440 910.0 0.025 0.032 0.036 0.000 -0.003 0.000 3/13440 920.0 0.025 0.031 0.036 0.000 -0.003 0.000 3/13440 930.0 0.025 0.031 0.036 0.000 -0.003 0.000 3/13440 940.0 0.025 0.031 0.035 0.000 -0.003 0.000 3/13440 950.0 0.024 0.030 0.035 0.000 -0.003 0.000 3/13440 960.0 0.024 0.030 0.034 0.000 -0.003 0.000 3/13440 970.0 0.024 0.030 0.034 0.000 -0.003 0.000 3/13440 980.0 0.024 0.029 0.034 0.000 -0.003 0.000 3/13440 990.0 0.023 0.029 0.033 0.000 -0.003 0.000 3/13440 1000.0 0.023 0.029 0.033 0.000 -0.003 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m474.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:37:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|